# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/652536f9-ec1e-4ed3-a974-b9ecf185cf75/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 CsNa5(WN3)2 / P2_1/c (14) / materials id 581834](https://mdr.nims.go.jp/datasets/954c2730-26b7-4628-a3b2-e85cfecb2985) ## Fulltext phonopy: version: 2.17.1 frequency_unit_conversion_factor: 15.633302 symmetry_tolerance: 1.00000e-05 configuration: save_params: ".true."physical_unit: atomic_mass: "AMU" length: "angstrom" force_constants: "eV/angstrom^2"space_group: type: "P2_1/c" number: 14 Hall_symbol: "-P 2ybc"supercell_matrix:- [ 1, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 9.382745430000000, 0.000000000000000, -0.002683690000000 ] # a - [ 0.000000000000000, 10.209657399999999, 0.000000000000000 ] # b - [ -0.036086590000000, 0.000000000000000, 19.438054770000001 ] # c points: - symbol: Cs # 1 coordinates: [ 0.127012640000000, 0.761549470000000, 0.540346500000000 ] mass: 132.905452 - symbol: Cs # 2 coordinates: [ 0.616805850000000, 0.729753320000000, 0.581439310000000 ] mass: 132.905452 - symbol: Cs # 3 coordinates: [ 0.383194150000000, 0.270246680000000, 0.418560690000000 ] mass: 132.905452 - symbol: Cs # 4 coordinates: [ 0.872987360000000, 0.261549470000000, 0.959653500000000 ] mass: 132.905452 - symbol: Cs # 5 coordinates: [ 0.872987360000000, 0.238450530000000, 0.459653500000000 ] mass: 132.905452 - symbol: Cs # 6 coordinates: [ 0.616805850000000, 0.770246680000000, 0.081439310000000 ] mass: 132.905452 - symbol: Cs # 7 coordinates: [ 0.127012640000000, 0.738450530000000, 0.040346500000000 ] mass: 132.905452 - symbol: Cs # 8 coordinates: [ 0.383194150000000, 0.229753320000000, 0.918560690000000 ] mass: 132.905452 - symbol: Na # 9 coordinates: [ 0.376668300000000, 0.003541910000000, 0.064401400000000 ] mass: 22.989769 - symbol: Na # 10 coordinates: [ 0.380855920000000, 0.495859600000000, 0.063041950000000 ] mass: 22.989769 - symbol: Na # 11 coordinates: [ 0.125355020000000, 0.994404810000000, 0.178726040000000 ] mass: 22.989769 - symbol: Na # 12 coordinates: [ 0.099043060000000, 0.507270330000000, 0.180742830000000 ] mass: 22.989769 - symbol: Na # 13 coordinates: [ 0.371311430000000, 0.490784690000000, 0.291881780000000 ] mass: 22.989769 - symbol: Na # 14 coordinates: [ 0.126775680000000, 0.479509450000000, 0.447904770000000 ] mass: 22.989769 - symbol: Na # 15 coordinates: [ 0.635732210000000, 0.488993450000000, 0.171653460000000 ] mass: 22.989769 - symbol: Na # 16 coordinates: [ 0.873224320000000, 0.520490550000000, 0.552095230000000 ] mass: 22.989769 - symbol: Na # 17 coordinates: [ 0.635732210000000, 0.011006550000000, 0.671653460000000 ] mass: 22.989769 - symbol: Na # 18 coordinates: [ 0.623331700000000, 0.996458090000000, 0.935598600000000 ] mass: 22.989769 - symbol: Na # 19 coordinates: [ 0.364267790000000, 0.988993450000000, 0.328346540000000 ] mass: 22.989769 - symbol: Na # 20 coordinates: [ 0.874644980000000, 0.494404810000000, 0.321273960000000 ] mass: 22.989769 - symbol: Na # 21 coordinates: [ 0.878390300000000, 0.167071820000000, 0.159597140000000 ] mass: 22.989769 - symbol: Na # 22 coordinates: [ 0.364267790000000, 0.511006550000000, 0.828346540000000 ] mass: 22.989769 - symbol: Na # 23 coordinates: [ 0.900956940000000, 0.492729670000000, 0.819257170000000 ] mass: 22.989769 - symbol: Na # 24 coordinates: [ 0.380131810000000, 0.165200100000000, 0.214879700000000 ] mass: 22.989769 - symbol: Na # 25 coordinates: [ 0.099043060000000, 0.992729670000000, 0.680742830000000 ] mass: 22.989769 - symbol: Na # 26 coordinates: [ 0.619144080000000, 0.504140400000000, 0.936958050000000 ] mass: 22.989769 - symbol: Na # 27 coordinates: [ 0.380131810000000, 0.334799900000000, 0.714879700000000 ] mass: 22.989769 - symbol: Na # 28 coordinates: [ 0.878390300000000, 0.332928180000000, 0.659597140000000 ] mass: 22.989769 - symbol: Na # 29 coordinates: [ 0.126775680000000, 0.020490550000000, 0.947904770000000 ] mass: 22.989769 - symbol: Na # 30 coordinates: [ 0.125355020000000, 0.505595190000000, 0.678726040000000 ] mass: 22.989769 - symbol: Na # 31 coordinates: [ 0.371311430000000, 0.009215310000000, 0.791881780000000 ] mass: 22.989769 - symbol: Na # 32 coordinates: [ 0.131740240000000, 0.488845160000000, 0.941554740000000 ] mass: 22.989769 - symbol: Na # 33 coordinates: [ 0.121609700000000, 0.667071820000000, 0.340402860000000 ] mass: 22.989769 - symbol: Na # 34 coordinates: [ 0.380855920000000, 0.004140400000000, 0.563041950000000 ] mass: 22.989769 - symbol: Na # 35 coordinates: [ 0.376668300000000, 0.496458090000000, 0.564401400000000 ] mass: 22.989769 - symbol: Na # 36 coordinates: [ 0.868259760000000, 0.511154840000000, 0.058445260000000 ] mass: 22.989769 - symbol: Na # 37 coordinates: [ 0.628688570000000, 0.990784690000000, 0.208118220000000 ] mass: 22.989769 - symbol: Na # 38 coordinates: [ 0.619144080000000, 0.995859600000000, 0.436958050000000 ] mass: 22.989769 - symbol: Na # 39 coordinates: [ 0.900956940000000, 0.007270330000000, 0.319257170000000 ] mass: 22.989769 - symbol: Na # 40 coordinates: [ 0.628688570000000, 0.509215310000000, 0.708118220000000 ] mass: 22.989769 - symbol: Na # 41 coordinates: [ 0.121609700000000, 0.832928180000000, 0.840402860000000 ] mass: 22.989769 - symbol: Na # 42 coordinates: [ 0.623331700000000, 0.503541910000000, 0.435598600000000 ] mass: 22.989769 - symbol: Na # 43 coordinates: [ 0.619868190000000, 0.834799900000000, 0.785120300000000 ] mass: 22.989769 - symbol: Na # 44 coordinates: [ 0.874644980000000, 0.005595190000000, 0.821273960000000 ] mass: 22.989769 - symbol: Na # 45 coordinates: [ 0.131740240000000, 0.011154840000000, 0.441554740000000 ] mass: 22.989769 - symbol: Na # 46 coordinates: [ 0.868259760000000, 0.988845160000000, 0.558445260000000 ] mass: 22.989769 - symbol: Na # 47 coordinates: [ 0.619868190000000, 0.665200100000000, 0.285120300000000 ] mass: 22.989769 - symbol: Na # 48 coordinates: [ 0.873224320000000, 0.979509450000000, 0.052095230000000 ] mass: 22.989769 - symbol: W # 49 coordinates: [ 0.921291760000000, 0.736432320000000, 0.712892630000000 ] mass: 183.840000 - symbol: W # 50 coordinates: [ 0.172653610000000, 0.242474810000000, 0.595556490000000 ] mass: 183.840000 - symbol: W # 51 coordinates: [ 0.827346390000000, 0.742474810000000, 0.904443510000000 ] mass: 183.840000 - symbol: W # 52 coordinates: [ 0.577971080000000, 0.244925030000000, 0.088364050000000 ] mass: 183.840000 - symbol: W # 53 coordinates: [ 0.673309270000000, 0.260729730000000, 0.281050650000000 ] mass: 183.840000 - symbol: W # 54 coordinates: [ 0.172653610000000, 0.257525190000000, 0.095556490000000 ] mass: 183.840000 - symbol: W # 55 coordinates: [ 0.827346390000000, 0.757525190000000, 0.404443510000000 ] mass: 183.840000 - symbol: W # 56 coordinates: [ 0.078708240000000, 0.236432320000000, 0.787107370000000 ] mass: 183.840000 - symbol: W # 57 coordinates: [ 0.078708240000000, 0.263567680000000, 0.287107370000000 ] mass: 183.840000 - symbol: W # 58 coordinates: [ 0.422028920000000, 0.755074970000000, 0.911635950000000 ] mass: 183.840000 - symbol: W # 59 coordinates: [ 0.673309270000000, 0.239270270000000, 0.781050650000000 ] mass: 183.840000 - symbol: W # 60 coordinates: [ 0.326690730000000, 0.739270270000000, 0.718949350000000 ] mass: 183.840000 - symbol: W # 61 coordinates: [ 0.326690730000000, 0.760729730000000, 0.218949350000000 ] mass: 183.840000 - symbol: W # 62 coordinates: [ 0.921291760000000, 0.763567680000000, 0.212892630000000 ] mass: 183.840000 - symbol: W # 63 coordinates: [ 0.422028920000000, 0.744925030000000, 0.411635950000000 ] mass: 183.840000 - symbol: W # 64 coordinates: [ 0.577971080000000, 0.255074970000000, 0.588364050000000 ] mass: 183.840000 - symbol: N # 65 coordinates: [ 0.360398020000000, 0.602744790000000, 0.950646690000000 ] mass: 14.006700 - symbol: N # 66 coordinates: [ 0.133530770000000, 0.250166900000000, 0.192417690000000 ] mass: 14.006700 - symbol: N # 67 coordinates: [ 0.360398020000000, 0.897255210000000, 0.450646690000000 ] mass: 14.006700 - symbol: N # 68 coordinates: [ 0.838187550000000, 0.629378140000000, 0.165960070000000 ] mass: 14.006700 - symbol: N # 69 coordinates: [ 0.580480360000000, 0.373668650000000, 0.823933150000000 ] mass: 14.006700 - symbol: N # 70 coordinates: [ 0.131238940000000, 0.075830820000000, 0.822042210000000 ] mass: 14.006700 - symbol: N # 71 coordinates: [ 0.920267930000000, 0.617436630000000, 0.442153950000000 ] mass: 14.006700 - symbol: N # 72 coordinates: [ 0.625690570000000, 0.740012630000000, 0.415958950000000 ] mass: 14.006700 - symbol: N # 73 coordinates: [ 0.875650950000000, 0.254841320000000, 0.791978640000000 ] mass: 14.006700 - symbol: N # 74 coordinates: [ 0.838187550000000, 0.870621860000000, 0.665960070000000 ] mass: 14.006700 - symbol: N # 75 coordinates: [ 0.131238940000000, 0.424169180000000, 0.322042210000000 ] mass: 14.006700 - symbol: N # 76 coordinates: [ 0.124349050000000, 0.754841320000000, 0.708021360000000 ] mass: 14.006700 - symbol: N # 77 coordinates: [ 0.346160080000000, 0.603663570000000, 0.455924180000000 ] mass: 14.006700 - symbol: N # 78 coordinates: [ 0.625690570000000, 0.759987370000000, 0.915958950000000 ] mass: 14.006700 - symbol: N # 79 coordinates: [ 0.639601980000000, 0.102744790000000, 0.549353310000000 ] mass: 14.006700 - symbol: N # 80 coordinates: [ 0.161812450000000, 0.129378140000000, 0.334039930000000 ] mass: 14.006700 - symbol: N # 81 coordinates: [ 0.875650950000000, 0.245158680000000, 0.291978640000000 ] mass: 14.006700 - symbol: N # 82 coordinates: [ 0.384777210000000, 0.922082630000000, 0.186564730000000 ] mass: 14.006700 - symbol: N # 83 coordinates: [ 0.615222790000000, 0.422082630000000, 0.313435270000000 ] mass: 14.006700 - symbol: N # 84 coordinates: [ 0.133530770000000, 0.249833100000000, 0.692417690000000 ] mass: 14.006700 - symbol: N # 85 coordinates: [ 0.866469230000000, 0.749833100000000, 0.807582310000000 ] mass: 14.006700 - symbol: N # 86 coordinates: [ 0.374309430000000, 0.240012630000000, 0.084041050000000 ] mass: 14.006700 - symbol: N # 87 coordinates: [ 0.079732070000000, 0.117436630000000, 0.057846050000000 ] mass: 14.006700 - symbol: N # 88 coordinates: [ 0.632275600000000, 0.258019610000000, 0.684686670000000 ] mass: 14.006700 - symbol: N # 89 coordinates: [ 0.868761060000000, 0.924169180000000, 0.177957790000000 ] mass: 14.006700 - symbol: N # 90 coordinates: [ 0.580480360000000, 0.126331350000000, 0.323933150000000 ] mass: 14.006700 - symbol: N # 91 coordinates: [ 0.367724400000000, 0.741980390000000, 0.315313330000000 ] mass: 14.006700 - symbol: N # 92 coordinates: [ 0.920267930000000, 0.882563370000000, 0.942153950000000 ] mass: 14.006700 - symbol: N # 93 coordinates: [ 0.109310620000000, 0.087049530000000, 0.560290250000000 ] mass: 14.006700 - symbol: N # 94 coordinates: [ 0.419519640000000, 0.873668650000000, 0.676066850000000 ] mass: 14.006700 - symbol: N # 95 coordinates: [ 0.374309430000000, 0.259987370000000, 0.584041050000000 ] mass: 14.006700 - symbol: N # 96 coordinates: [ 0.653839920000000, 0.396336430000000, 0.544075820000000 ] mass: 14.006700 - symbol: N # 97 coordinates: [ 0.866469230000000, 0.750166900000000, 0.307582310000000 ] mass: 14.006700 - symbol: N # 98 coordinates: [ 0.367724400000000, 0.758019610000000, 0.815313330000000 ] mass: 14.006700 - symbol: N # 99 coordinates: [ 0.632275600000000, 0.241980390000000, 0.184686670000000 ] mass: 14.006700 - symbol: N # 100 coordinates: [ 0.890689380000000, 0.587049530000000, 0.939709750000000 ] mass: 14.006700 - symbol: N # 101 coordinates: [ 0.079732070000000, 0.382563370000000, 0.557846050000000 ] mass: 14.006700 - symbol: N # 102 coordinates: [ 0.653839920000000, 0.103663570000000, 0.044075820000000 ] mass: 14.006700 - symbol: N # 103 coordinates: [ 0.124349050000000, 0.745158680000000, 0.208021360000000 ] mass: 14.006700 - symbol: N # 104 coordinates: [ 0.384777210000000, 0.577917370000000, 0.686564730000000 ] mass: 14.006700 - symbol: N # 105 coordinates: [ 0.890689380000000, 0.912950470000000, 0.439709750000000 ] mass: 14.006700 - symbol: N # 106 coordinates: [ 0.346160080000000, 0.896336430000000, 0.955924180000000 ] mass: 14.006700 - symbol: N # 107 coordinates: [ 0.161812450000000, 0.370621860000000, 0.834039930000000 ] mass: 14.006700 - symbol: N # 108 coordinates: [ 0.639601980000000, 0.397255210000000, 0.049353310000000 ] mass: 14.006700 - symbol: N # 109 coordinates: [ 0.868761060000000, 0.575830820000000, 0.677957790000000 ] mass: 14.006700 - symbol: N # 110 coordinates: [ 0.109310620000000, 0.412950470000000, 0.060290250000000 ] mass: 14.006700 - symbol: N # 111 coordinates: [ 0.419519640000000, 0.626331350000000, 0.176066850000000 ] mass: 14.006700 - symbol: N # 112 coordinates: [ 0.615222790000000, 0.077917370000000, 0.813435270000000 ] mass: 14.006700 reciprocal_lattice: # without 2pi - [ 0.106578670226314, 0.000000000000000, 0.000197862431231 ] # a* - [ 0.000000000000000, 0.097946479575309, 0.000000000000000 ] # b* - [ 0.000014714646856, 0.000000000000000, 0.051445504338469 ] # c*unit_cell: lattice: - [ 9.382745430000000, 0.000000000000000, -0.002683690000000 ] # a - [ 0.000000000000000, 10.209657399999999, 0.000000000000000 ] # b - [ -0.036086590000000, 0.000000000000000, 19.438054770000001 ] # c points: - symbol: Cs # 1 coordinates: [ 0.127012640000000, 0.761549470000000, 0.540346500000000 ] mass: 132.905452 reduced_to: 1 - symbol: Cs # 2 coordinates: [ 0.616805850000000, 0.729753320000000, 0.581439310000000 ] mass: 132.905452 reduced_to: 2 - symbol: Cs # 3 coordinates: [ 0.383194150000000, 0.270246680000000, 0.418560690000000 ] mass: 132.905452 reduced_to: 3 - symbol: Cs # 4 coordinates: [ 0.872987360000000, 0.261549470000000, 0.959653500000000 ] mass: 132.905452 reduced_to: 4 - symbol: Cs # 5 coordinates: [ 0.872987360000000, 0.238450530000000, 0.459653500000000 ] mass: 132.905452 reduced_to: 5 - symbol: Cs # 6 coordinates: [ 0.616805850000000, 0.770246680000000, 0.081439310000000 ] mass: 132.905452 reduced_to: 6 - symbol: Cs # 7 coordinates: [ 0.127012640000000, 0.738450530000000, 0.040346500000000 ] mass: 132.905452 reduced_to: 7 - symbol: Cs # 8 coordinates: [ 0.383194150000000, 0.229753320000000, 0.918560690000000 ] mass: 132.905452 reduced_to: 8 - symbol: Na # 9 coordinates: [ 0.376668300000000, 0.003541910000000, 0.064401400000000 ] mass: 22.989769 reduced_to: 9 - symbol: Na # 10 coordinates: [ 0.380855920000000, 0.495859600000000, 0.063041950000000 ] mass: 22.989769 reduced_to: 10 - symbol: Na # 11 coordinates: [ 0.125355020000000, 0.994404810000000, 0.178726040000000 ] mass: 22.989769 reduced_to: 11 - symbol: Na # 12 coordinates: [ 0.099043060000000, 0.507270330000000, 0.180742830000000 ] mass: 22.989769 reduced_to: 12 - symbol: Na # 13 coordinates: [ 0.371311430000000, 0.490784690000000, 0.291881780000000 ] mass: 22.989769 reduced_to: 13 - symbol: Na # 14 coordinates: [ 0.126775680000000, 0.479509450000000, 0.447904770000000 ] mass: 22.989769 reduced_to: 14 - symbol: Na # 15 coordinates: [ 0.635732210000000, 0.488993450000000, 0.171653460000000 ] mass: 22.989769 reduced_to: 15 - symbol: Na # 16 coordinates: [ 0.873224320000000, 0.520490550000000, 0.552095230000000 ] mass: 22.989769 reduced_to: 16 - symbol: Na # 17 coordinates: [ 0.635732210000000, 0.011006550000000, 0.671653460000000 ] mass: 22.989769 reduced_to: 17 - symbol: Na # 18 coordinates: [ 0.623331700000000, 0.996458090000000, 0.935598600000000 ] mass: 22.989769 reduced_to: 18 - symbol: Na # 19 coordinates: [ 0.364267790000000, 0.988993450000000, 0.328346540000000 ] mass: 22.989769 reduced_to: 19 - symbol: Na # 20 coordinates: [ 0.874644980000000, 0.494404810000000, 0.321273960000000 ] mass: 22.989769 reduced_to: 20 - symbol: Na # 21 coordinates: [ 0.878390300000000, 0.167071820000000, 0.159597140000000 ] mass: 22.989769 reduced_to: 21 - symbol: Na # 22 coordinates: [ 0.364267790000000, 0.511006550000000, 0.828346540000000 ] mass: 22.989769 reduced_to: 22 - symbol: Na # 23 coordinates: [ 0.900956940000000, 0.492729670000000, 0.819257170000000 ] mass: 22.989769 reduced_to: 23 - symbol: Na # 24 coordinates: [ 0.380131810000000, 0.165200100000000, 0.214879700000000 ] mass: 22.989769 reduced_to: 24 - symbol: Na # 25 coordinates: [ 0.099043060000000, 0.992729670000000, 0.680742830000000 ] mass: 22.989769 reduced_to: 25 - symbol: Na # 26 coordinates: [ 0.619144080000000, 0.504140400000000, 0.936958050000000 ] mass: 22.989769 reduced_to: 26 - symbol: Na # 27 coordinates: [ 0.380131810000000, 0.334799900000000, 0.714879700000000 ] mass: 22.989769 reduced_to: 27 - symbol: Na # 28 coordinates: [ 0.878390300000000, 0.332928180000000, 0.659597140000000 ] mass: 22.989769 reduced_to: 28 - symbol: Na # 29 coordinates: [ 0.126775680000000, 0.020490550000000, 0.947904770000000 ] mass: 22.989769 reduced_to: 29 - symbol: Na # 30 coordinates: [ 0.125355020000000, 0.505595190000000, 0.678726040000000 ] mass: 22.989769 reduced_to: 30 - symbol: Na # 31 coordinates: [ 0.371311430000000, 0.009215310000000, 0.791881780000000 ] mass: 22.989769 reduced_to: 31 - symbol: Na # 32 coordinates: [ 0.131740240000000, 0.488845160000000, 0.941554740000000 ] mass: 22.989769 reduced_to: 32 - symbol: Na # 33 coordinates: [ 0.121609700000000, 0.667071820000000, 0.340402860000000 ] mass: 22.989769 reduced_to: 33 - symbol: Na # 34 coordinates: [ 0.380855920000000, 0.004140400000000, 0.563041950000000 ] mass: 22.989769 reduced_to: 34 - symbol: Na # 35 coordinates: [ 0.376668300000000, 0.496458090000000, 0.564401400000000 ] mass: 22.989769 reduced_to: 35 - symbol: Na # 36 coordinates: [ 0.868259760000000, 0.511154840000000, 0.058445260000000 ] mass: 22.989769 reduced_to: 36 - symbol: Na # 37 coordinates: [ 0.628688570000000, 0.990784690000000, 0.208118220000000 ] mass: 22.989769 reduced_to: 37 - symbol: Na # 38 coordinates: [ 0.619144080000000, 0.995859600000000, 0.436958050000000 ] mass: 22.989769 reduced_to: 38 - symbol: Na # 39 coordinates: [ 0.900956940000000, 0.007270330000000, 0.319257170000000 ] mass: 22.989769 reduced_to: 39 - symbol: Na # 40 coordinates: [ 0.628688570000000, 0.509215310000000, 0.708118220000000 ] mass: 22.989769 reduced_to: 40 - symbol: Na # 41 coordinates: [ 0.121609700000000, 0.832928180000000, 0.840402860000000 ] mass: 22.989769 reduced_to: 41 - symbol: Na # 42 coordinates: [ 0.623331700000000, 0.503541910000000, 0.435598600000000 ] mass: 22.989769 reduced_to: 42 - symbol: Na # 43 coordinates: [ 0.619868190000000, 0.834799900000000, 0.785120300000000 ] mass: 22.989769 reduced_to: 43 - symbol: Na # 44 coordinates: [ 0.874644980000000, 0.005595190000000, 0.821273960000000 ] mass: 22.989769 reduced_to: 44 - symbol: Na # 45 coordinates: [ 0.131740240000000, 0.011154840000000, 0.441554740000000 ] mass: 22.989769 reduced_to: 45 - symbol: Na # 46 coordinates: [ 0.868259760000000, 0.988845160000000, 0.558445260000000 ] mass: 22.989769 reduced_to: 46 - symbol: Na # 47 coordinates: [ 0.619868190000000, 0.665200100000000, 0.285120300000000 ] mass: 22.989769 reduced_to: 47 - symbol: Na # 48 coordinates: [ 0.873224320000000, 0.979509450000000, 0.052095230000000 ] mass: 22.989769 reduced_to: 48 - symbol: W # 49 coordinates: [ 0.921291760000000, 0.736432320000000, 0.712892630000000 ] mass: 183.840000 reduced_to: 49 - symbol: W # 50 coordinates: [ 0.172653610000000, 0.242474810000000, 0.595556490000000 ] mass: 183.840000 reduced_to: 50 - symbol: W # 51 coordinates: [ 0.827346390000000, 0.742474810000000, 0.904443510000000 ] mass: 183.840000 reduced_to: 51 - symbol: W # 52 coordinates: [ 0.577971080000000, 0.244925030000000, 0.088364050000000 ] mass: 183.840000 reduced_to: 52 - symbol: W # 53 coordinates: [ 0.673309270000000, 0.260729730000000, 0.281050650000000 ] mass: 183.840000 reduced_to: 53 - symbol: W # 54 coordinates: [ 0.172653610000000, 0.257525190000000, 0.095556490000000 ] mass: 183.840000 reduced_to: 54 - symbol: W # 55 coordinates: [ 0.827346390000000, 0.757525190000000, 0.404443510000000 ] mass: 183.840000 reduced_to: 55 - symbol: W # 56 coordinates: [ 0.078708240000000, 0.236432320000000, 0.787107370000000 ] mass: 183.840000 reduced_to: 56 - symbol: W # 57 coordinates: [ 0.078708240000000, 0.263567680000000, 0.287107370000000 ] mass: 183.840000 reduced_to: 57 - symbol: W # 58 coordinates: [ 0.422028920000000, 0.755074970000000, 0.911635950000000 ] mass: 183.840000 reduced_to: 58 - symbol: W # 59 coordinates: [ 0.673309270000000, 0.239270270000000, 0.781050650000000 ] mass: 183.840000 reduced_to: 59 - symbol: W # 60 coordinates: [ 0.326690730000000, 0.739270270000000, 0.718949350000000 ] mass: 183.840000 reduced_to: 60 - symbol: W # 61 coordinates: [ 0.326690730000000, 0.760729730000000, 0.218949350000000 ] mass: 183.840000 reduced_to: 61 - symbol: W # 62 coordinates: [ 0.921291760000000, 0.763567680000000, 0.212892630000000 ] mass: 183.840000 reduced_to: 62 - symbol: W # 63 coordinates: [ 0.422028920000000, 0.744925030000000, 0.411635950000000 ] mass: 183.840000 reduced_to: 63 - symbol: W # 64 coordinates: [ 0.577971080000000, 0.255074970000000, 0.588364050000000 ] mass: 183.840000 reduced_to: 64 - symbol: N # 65 coordinates: [ 0.360398020000000, 0.602744790000000, 0.950646690000000 ] mass: 14.006700 reduced_to: 65 - symbol: N # 66 coordinates: [ 0.133530770000000, 0.250166900000000, 0.192417690000000 ] mass: 14.006700 reduced_to: 66 - symbol: N # 67 coordinates: [ 0.360398020000000, 0.897255210000000, 0.450646690000000 ] mass: 14.006700 reduced_to: 67 - symbol: N # 68 coordinates: [ 0.838187550000000, 0.629378140000000, 0.165960070000000 ] mass: 14.006700 reduced_to: 68 - symbol: N # 69 coordinates: [ 0.580480360000000, 0.373668650000000, 0.823933150000000 ] mass: 14.006700 reduced_to: 69 - symbol: N # 70 coordinates: [ 0.131238940000000, 0.075830820000000, 0.822042210000000 ] mass: 14.006700 reduced_to: 70 - symbol: N # 71 coordinates: [ 0.920267930000000, 0.617436630000000, 0.442153950000000 ] mass: 14.006700 reduced_to: 71 - symbol: N # 72 coordinates: [ 0.625690570000000, 0.740012630000000, 0.415958950000000 ] mass: 14.006700 reduced_to: 72 - symbol: N # 73 coordinates: [ 0.875650950000000, 0.254841320000000, 0.791978640000000 ] mass: 14.006700 reduced_to: 73 - symbol: N # 74 coordinates: [ 0.838187550000000, 0.870621860000000, 0.665960070000000 ] mass: 14.006700 reduced_to: 74 - symbol: N # 75 coordinates: [ 0.131238940000000, 0.424169180000000, 0.322042210000000 ] mass: 14.006700 reduced_to: 75 - symbol: N # 76 coordinates: [ 0.124349050000000, 0.754841320000000, 0.708021360000000 ] mass: 14.006700 reduced_to: 76 - symbol: N # 77 coordinates: [ 0.346160080000000, 0.603663570000000, 0.455924180000000 ] mass: 14.006700 reduced_to: 77 - symbol: N # 78 coordinates: [ 0.625690570000000, 0.759987370000000, 0.915958950000000 ] mass: 14.006700 reduced_to: 78 - symbol: N # 79 coordinates: [ 0.639601980000000, 0.102744790000000, 0.549353310000000 ] mass: 14.006700 reduced_to: 79 - symbol: N # 80 coordinates: [ 0.161812450000000, 0.129378140000000, 0.334039930000000 ] mass: 14.006700 reduced_to: 80 - symbol: N # 81 coordinates: [ 0.875650950000000, 0.245158680000000, 0.291978640000000 ] mass: 14.006700 reduced_to: 81 - symbol: N # 82 coordinates: [ 0.384777210000000, 0.922082630000000, 0.186564730000000 ] mass: 14.006700 reduced_to: 82 - symbol: N # 83 coordinates: [ 0.615222790000000, 0.422082630000000, 0.313435270000000 ] mass: 14.006700 reduced_to: 83 - symbol: N # 84 coordinates: [ 0.133530770000000, 0.249833100000000, 0.692417690000000 ] mass: 14.006700 reduced_to: 84 - symbol: N # 85 coordinates: [ 0.866469230000000, 0.749833100000000, 0.807582310000000 ] mass: 14.006700 reduced_to: 85 - symbol: N # 86 coordinates: [ 0.374309430000000, 0.240012630000000, 0.084041050000000 ] mass: 14.006700 reduced_to: 86 - symbol: N # 87 coordinates: [ 0.079732070000000, 0.117436630000000, 0.057846050000000 ] mass: 14.006700 reduced_to: 87 - symbol: N # 88 coordinates: [ 0.632275600000000, 0.258019610000000, 0.684686670000000 ] mass: 14.006700 reduced_to: 88 - symbol: N # 89 coordinates: [ 0.868761060000000, 0.924169180000000, 0.177957790000000 ] mass: 14.006700 reduced_to: 89 - symbol: N # 90 coordinates: [ 0.580480360000000, 0.126331350000000, 0.323933150000000 ] mass: 14.006700 reduced_to: 90 - symbol: N # 91 coordinates: [ 0.367724400000000, 0.741980390000000, 0.315313330000000 ] mass: 14.006700 reduced_to: 91 - symbol: N # 92 coordinates: [ 0.920267930000000, 0.882563370000000, 0.942153950000000 ] mass: 14.006700 reduced_to: 92 - symbol: N # 93 coordinates: [ 0.109310620000000, 0.087049530000000, 0.560290250000000 ] mass: 14.006700 reduced_to: 93 - symbol: N # 94 coordinates: [ 0.419519640000000, 0.873668650000000, 0.676066850000000 ] mass: 14.006700 reduced_to: 94 - symbol: N # 95 coordinates: [ 0.374309430000000, 0.259987370000000, 0.584041050000000 ] mass: 14.006700 reduced_to: 95 - symbol: N # 96 coordinates: [ 0.653839920000000, 0.396336430000000, 0.544075820000000 ] mass: 14.006700 reduced_to: 96 - symbol: N # 97 coordinates: [ 0.866469230000000, 0.750166900000000, 0.307582310000000 ] mass: 14.006700 reduced_to: 97 - symbol: N # 98 coordinates: [ 0.367724400000000, 0.758019610000000, 0.815313330000000 ] mass: 14.006700 reduced_to: 98 - symbol: N # 99 coordinates: [ 0.632275600000000, 0.241980390000000, 0.184686670000000 ] mass: 14.006700 reduced_to: 99 - symbol: N # 100 coordinates: [ 0.890689380000000, 0.587049530000000, 0.939709750000000 ] mass: 14.006700 reduced_to: 100 - symbol: N # 101 coordinates: [ 0.079732070000000, 0.382563370000000, 0.557846050000000 ] mass: 14.006700 reduced_to: 101 - symbol: N # 102 coordinates: [ 0.653839920000000, 0.103663570000000, 0.044075820000000 ] mass: 14.006700 reduced_to: 102 - symbol: N # 103 coordinates: [ 0.124349050000000, 0.745158680000000, 0.208021360000000 ] mass: 14.006700 reduced_to: 103 - symbol: N # 104 coordinates: [ 0.384777210000000, 0.577917370000000, 0.686564730000000 ] mass: 14.006700 reduced_to: 104 - symbol: N # 105 coordinates: [ 0.890689380000000, 0.912950470000000, 0.439709750000000 ] mass: 14.006700 reduced_to: 105 - symbol: N # 106 coordinates: [ 0.346160080000000, 0.896336430000000, 0.955924180000000 ] mass: 14.006700 reduced_to: 106 - symbol: N # 107 coordinates: [ 0.161812450000000, 0.370621860000000, 0.834039930000000 ] mass: 14.006700 reduced_to: 107 - symbol: N # 108 coordinates: [ 0.639601980000000, 0.397255210000000, 0.049353310000000 ] mass: 14.006700 reduced_to: 108 - symbol: N # 109 coordinates: [ 0.868761060000000, 0.575830820000000, 0.677957790000000 ] mass: 14.006700 reduced_to: 109 - symbol: N # 110 coordinates: [ 0.109310620000000, 0.412950470000000, 0.060290250000000 ] mass: 14.006700 reduced_to: 110 - symbol: N # 111 coordinates: [ 0.419519640000000, 0.626331350000000, 0.176066850000000 ] mass: 14.006700 reduced_to: 111 - symbol: N # 112 coordinates: [ 0.615222790000000, 0.077917370000000, 0.813435270000000 ] mass: 14.006700 reduced_to: 112supercell: lattice: - [ 9.382745430000000, 0.000000000000000, -0.002683690000000 ] # a - [ 0.000000000000000, 10.209657399999999, 0.000000000000000 ] # b - [ -0.036086590000000, 0.000000000000000, 19.438054770000001 ] # c points: - symbol: Cs # 1 coordinates: [ 0.127012640000000, 0.761549470000000, 0.540346500000000 ] mass: 132.905452 reduced_to: 1 - symbol: Cs # 2 coordinates: [ 0.616805850000000, 0.729753320000000, 0.581439310000000 ] mass: 132.905452 reduced_to: 2 - symbol: Cs # 3 coordinates: [ 0.383194150000000, 0.270246680000000, 0.418560690000000 ] mass: 132.905452 reduced_to: 3 - symbol: Cs # 4 coordinates: [ 0.872987360000000, 0.261549470000000, 0.959653500000000 ] mass: 132.905452 reduced_to: 4 - symbol: Cs # 5 coordinates: [ 0.872987360000000, 0.238450530000000, 0.459653500000000 ] mass: 132.905452 reduced_to: 5 - symbol: Cs # 6 coordinates: [ 0.616805850000000, 0.770246680000000, 0.081439310000000 ] mass: 132.905452 reduced_to: 6 - symbol: Cs # 7 coordinates: [ 0.127012640000000, 0.738450530000000, 0.040346500000000 ] mass: 132.905452 reduced_to: 7 - symbol: Cs # 8 coordinates: [ 0.383194150000000, 0.229753320000000, 0.918560690000000 ] mass: 132.905452 reduced_to: 8 - symbol: Na # 9 coordinates: [ 0.376668300000000, 0.003541910000000, 0.064401400000000 ] mass: 22.989769 reduced_to: 9 - symbol: Na # 10 coordinates: [ 0.380855920000000, 0.495859600000000, 0.063041950000000 ] mass: 22.989769 reduced_to: 10 - symbol: Na # 11 coordinates: [ 0.125355020000000, 0.994404810000000, 0.178726040000000 ] mass: 22.989769 reduced_to: 11 - symbol: Na # 12 coordinates: [ 0.099043060000000, 0.507270330000000, 0.180742830000000 ] mass: 22.989769 reduced_to: 12 - symbol: Na # 13 coordinates: [ 0.371311430000000, 0.490784690000000, 0.291881780000000 ] mass: 22.989769 reduced_to: 13 - symbol: Na # 14 coordinates: [ 0.126775680000000, 0.479509450000000, 0.447904770000000 ] mass: 22.989769 reduced_to: 14 - symbol: Na # 15 coordinates: [ 0.635732210000000, 0.488993450000000, 0.171653460000000 ] mass: 22.989769 reduced_to: 15 - symbol: Na # 16 coordinates: [ 0.873224320000000, 0.520490550000000, 0.552095230000000 ] mass: 22.989769 reduced_to: 16 - symbol: Na # 17 coordinates: [ 0.635732210000000, 0.011006550000000, 0.671653460000000 ] mass: 22.989769 reduced_to: 17 - symbol: Na # 18 coordinates: [ 0.623331700000000, 0.996458090000000, 0.935598600000000 ] mass: 22.989769 reduced_to: 18 - symbol: Na # 19 coordinates: [ 0.364267790000000, 0.988993450000000, 0.328346540000000 ] mass: 22.989769 reduced_to: 19 - symbol: Na # 20 coordinates: [ 0.874644980000000, 0.494404810000000, 0.321273960000000 ] mass: 22.989769 reduced_to: 20 - symbol: Na # 21 coordinates: [ 0.878390300000000, 0.167071820000000, 0.159597140000000 ] mass: 22.989769 reduced_to: 21 - symbol: Na # 22 coordinates: [ 0.364267790000000, 0.511006550000000, 0.828346540000000 ] mass: 22.989769 reduced_to: 22 - symbol: Na # 23 coordinates: [ 0.900956940000000, 0.492729670000000, 0.819257170000000 ] mass: 22.989769 reduced_to: 23 - symbol: Na # 24 coordinates: [ 0.380131810000000, 0.165200100000000, 0.214879700000000 ] mass: 22.989769 reduced_to: 24 - symbol: Na # 25 coordinates: [ 0.099043060000000, 0.992729670000000, 0.680742830000000 ] mass: 22.989769 reduced_to: 25 - symbol: Na # 26 coordinates: [ 0.619144080000000, 0.504140400000000, 0.936958050000000 ] mass: 22.989769 reduced_to: 26 - symbol: Na # 27 coordinates: [ 0.380131810000000, 0.334799900000000, 0.714879700000000 ] mass: 22.989769 reduced_to: 27 - symbol: Na # 28 coordinates: [ 0.878390300000000, 0.332928180000000, 0.659597140000000 ] mass: 22.989769 reduced_to: 28 - symbol: Na # 29 coordinates: [ 0.126775680000000, 0.020490550000000, 0.947904770000000 ] mass: 22.989769 reduced_to: 29 - symbol: Na # 30 coordinates: [ 0.125355020000000, 0.505595190000000, 0.678726040000000 ] mass: 22.989769 reduced_to: 30 - symbol: Na # 31 coordinates: [ 0.371311430000000, 0.009215310000000, 0.791881780000000 ] mass: 22.989769 reduced_to: 31 - symbol: Na # 32 coordinates: [ 0.131740240000000, 0.488845160000000, 0.941554740000000 ] mass: 22.989769 reduced_to: 32 - symbol: Na # 33 coordinates: [ 0.121609700000000, 0.667071820000000, 0.340402860000000 ] mass: 22.989769 reduced_to: 33 - symbol: Na # 34 coordinates: [ 0.380855920000000, 0.004140400000000, 0.563041950000000 ] mass: 22.989769 reduced_to: 34 - symbol: Na # 35 coordinates: [ 0.376668300000000, 0.496458090000000, 0.564401400000000 ] mass: 22.989769 reduced_to: 35 - symbol: Na # 36 coordinates: [ 0.868259760000000, 0.511154840000000, 0.058445260000000 ] mass: 22.989769 reduced_to: 36 - symbol: Na # 37 coordinates: [ 0.628688570000000, 0.990784690000000, 0.208118220000000 ] mass: 22.989769 reduced_to: 37 - symbol: Na # 38 coordinates: [ 0.619144080000000, 0.995859600000000, 0.436958050000000 ] mass: 22.989769 reduced_to: 38 - symbol: Na # 39 coordinates: [ 0.900956940000000, 0.007270330000000, 0.319257170000000 ] mass: 22.989769 reduced_to: 39 - symbol: Na # 40 coordinates: [ 0.628688570000000, 0.509215310000000, 0.708118220000000 ] mass: 22.989769 reduced_to: 40 - symbol: Na # 41 coordinates: [ 0.121609700000000, 0.832928180000000, 0.840402860000000 ] mass: 22.989769 reduced_to: 41 - symbol: Na # 42 coordinates: [ 0.623331700000000, 0.503541910000000, 0.435598600000000 ] mass: 22.989769 reduced_to: 42 - symbol: Na # 43 coordinates: [ 0.619868190000000, 0.834799900000000, 0.785120300000000 ] mass: 22.989769 reduced_to: 43 - symbol: Na # 44 coordinates: [ 0.874644980000000, 0.005595190000000, 0.821273960000000 ] mass: 22.989769 reduced_to: 44 - symbol: Na # 45 coordinates: [ 0.131740240000000, 0.011154840000000, 0.441554740000000 ] mass: 22.989769 reduced_to: 45 - symbol: Na # 46 coordinates: [ 0.868259760000000, 0.988845160000000, 0.558445260000000 ] mass: 22.989769 reduced_to: 46 - symbol: Na # 47 coordinates: [ 0.619868190000000, 0.665200100000000, 0.285120300000000 ] mass: 22.989769 reduced_to: 47 - symbol: Na # 48 coordinates: [ 0.873224320000000, 0.979509450000000, 0.052095230000000 ] mass: 22.989769 reduced_to: 48 - symbol: W # 49 coordinates: [ 0.921291760000000, 0.736432320000000, 0.712892630000000 ] mass: 183.840000 reduced_to: 49 - symbol: W # 50 coordinates: [ 0.172653610000000, 0.242474810000000, 0.595556490000000 ] mass: 183.840000 reduced_to: 50 - symbol: W # 51 coordinates: [ 0.827346390000000, 0.742474810000000, 0.904443510000000 ] mass: 183.840000 reduced_to: 51 - symbol: W # 52 coordinates: [ 0.577971080000000, 0.244925030000000, 0.088364050000000 ] mass: 183.840000 reduced_to: 52 - symbol: W # 53 coordinates: [ 0.673309270000000, 0.260729730000000, 0.281050650000000 ] mass: 183.840000 reduced_to: 53 - symbol: W # 54 coordinates: [ 0.172653610000000, 0.257525190000000, 0.095556490000000 ] mass: 183.840000 reduced_to: 54 - symbol: W # 55 coordinates: [ 0.827346390000000, 0.757525190000000, 0.404443510000000 ] mass: 183.840000 reduced_to: 55 - symbol: W # 56 coordinates: [ 0.078708240000000, 0.236432320000000, 0.787107370000000 ] mass: 183.840000 reduced_to: 56 - symbol: W # 57 coordinates: [ 0.078708240000000, 0.263567680000000, 0.287107370000000 ] mass: 183.840000 reduced_to: 57 - symbol: W # 58 coordinates: [ 0.422028920000000, 0.755074970000000, 0.911635950000000 ] mass: 183.840000 reduced_to: 58 - symbol: W # 59 coordinates: [ 0.673309270000000, 0.239270270000000, 0.781050650000000 ] mass: 183.840000 reduced_to: 59 - symbol: W # 60 coordinates: [ 0.326690730000000, 0.739270270000000, 0.718949350000000 ] mass: 183.840000 reduced_to: 60 - symbol: W # 61 coordinates: [ 0.326690730000000, 0.760729730000000, 0.218949350000000 ] mass: 183.840000 reduced_to: 61 - symbol: W # 62 coordinates: [ 0.921291760000000, 0.763567680000000, 0.212892630000000 ] mass: 183.840000 reduced_to: 62 - symbol: W # 63 coordinates: [ 0.422028920000000, 0.744925030000000, 0.411635950000000 ] mass: 183.840000 reduced_to: 63 - symbol: W # 64 coordinates: [ 0.577971080000000, 0.255074970000000, 0.588364050000000 ] mass: 183.840000 reduced_to: 64 - symbol: N # 65 coordinates: [ 0.360398020000000, 0.602744790000000, 0.950646690000000 ] mass: 14.006700 reduced_to: 65 - symbol: N # 66 coordinates: [ 0.133530770000000, 0.250166900000000, 0.192417690000000 ] mass: 14.006700 reduced_to: 66 - symbol: N # 67 coordinates: [ 0.360398020000000, 0.897255210000000, 0.450646690000000 ] mass: 14.006700 reduced_to: 67 - symbol: N # 68 coordinates: [ 0.838187550000000, 0.629378140000000, 0.165960070000000 ] mass: 14.006700 reduced_to: 68 - symbol: N # 69 coordinates: [ 0.580480360000000, 0.373668650000000, 0.823933150000000 ] mass: 14.006700 reduced_to: 69 - symbol: N # 70 coordinates: [ 0.131238940000000, 0.075830820000000, 0.822042210000000 ] mass: 14.006700 reduced_to: 70 - symbol: N # 71 coordinates: [ 0.920267930000000, 0.617436630000000, 0.442153950000000 ] mass: 14.006700 reduced_to: 71 - symbol: N # 72 coordinates: [ 0.625690570000000, 0.740012630000000, 0.415958950000000 ] mass: 14.006700 reduced_to: 72 - symbol: N # 73 coordinates: [ 0.875650950000000, 0.254841320000000, 0.791978640000000 ] mass: 14.006700 reduced_to: 73 - symbol: N # 74 coordinates: [ 0.838187550000000, 0.870621860000000, 0.665960070000000 ] mass: 14.006700 reduced_to: 74 - symbol: N # 75 coordinates: [ 0.131238940000000, 0.424169180000000, 0.322042210000000 ] mass: 14.006700 reduced_to: 75 - symbol: N # 76 coordinates: [ 0.124349050000000, 0.754841320000000, 0.708021360000000 ] mass: 14.006700 reduced_to: 76 - symbol: N # 77 coordinates: [ 0.346160080000000, 0.603663570000000, 0.455924180000000 ] mass: 14.006700 reduced_to: 77 - symbol: N # 78 coordinates: [ 0.625690570000000, 0.759987370000000, 0.915958950000000 ] mass: 14.006700 reduced_to: 78 - symbol: N # 79 coordinates: [ 0.639601980000000, 0.102744790000000, 0.549353310000000 ] mass: 14.006700 reduced_to: 79 - symbol: N # 80 coordinates: [ 0.161812450000000, 0.129378140000000, 0.334039930000000 ] mass: 14.006700 reduced_to: 80 - symbol: N # 81 coordinates: [ 0.875650950000000, 0.245158680000000, 0.291978640000000 ] mass: 14.006700 reduced_to: 81 - symbol: N # 82 coordinates: [ 0.384777210000000, 0.922082630000000, 0.186564730000000 ] mass: 14.006700 reduced_to: 82 - symbol: N # 83 coordinates: [ 0.615222790000000, 0.422082630000000, 0.313435270000000 ] mass: 14.006700 reduced_to: 83 - symbol: N # 84 coordinates: [ 0.133530770000000, 0.249833100000000, 0.692417690000000 ] mass: 14.006700 reduced_to: 84 - symbol: N # 85 coordinates: [ 0.866469230000000, 0.749833100000000, 0.807582310000000 ] mass: 14.006700 reduced_to: 85 - symbol: N # 86 coordinates: [ 0.374309430000000, 0.240012630000000, 0.084041050000000 ] mass: 14.006700 reduced_to: 86 - symbol: N # 87 coordinates: [ 0.079732070000000, 0.117436630000000, 0.057846050000000 ] mass: 14.006700 reduced_to: 87 - symbol: N # 88 coordinates: [ 0.632275600000000, 0.258019610000000, 0.684686670000000 ] mass: 14.006700 reduced_to: 88 - symbol: N # 89 coordinates: [ 0.868761060000000, 0.924169180000000, 0.177957790000000 ] mass: 14.006700 reduced_to: 89 - symbol: N # 90 coordinates: [ 0.580480360000000, 0.126331350000000, 0.323933150000000 ] mass: 14.006700 reduced_to: 90 - symbol: N # 91 coordinates: [ 0.367724400000000, 0.741980390000000, 0.315313330000000 ] mass: 14.006700 reduced_to: 91 - symbol: N # 92 coordinates: [ 0.920267930000000, 0.882563370000000, 0.942153950000000 ] mass: 14.006700 reduced_to: 92 - symbol: N # 93 coordinates: [ 0.109310620000000, 0.087049530000000, 0.560290250000000 ] mass: 14.006700 reduced_to: 93 - symbol: N # 94 coordinates: [ 0.419519640000000, 0.873668650000000, 0.676066850000000 ] mass: 14.006700 reduced_to: 94 - symbol: N # 95 coordinates: [ 0.374309430000000, 0.259987370000000, 0.584041050000000 ] mass: 14.006700 reduced_to: 95 - symbol: N # 96 coordinates: [ 0.653839920000000, 0.396336430000000, 0.544075820000000 ] mass: 14.006700 reduced_to: 96 - symbol: N # 97 coordinates: [ 0.866469230000000, 0.750166900000000, 0.307582310000000 ] mass: 14.006700 reduced_to: 97 - symbol: N # 98 coordinates: [ 0.367724400000000, 0.758019610000000, 0.815313330000000 ] mass: 14.006700 reduced_to: 98 - symbol: N # 99 coordinates: [ 0.632275600000000, 0.241980390000000, 0.184686670000000 ] mass: 14.006700 reduced_to: 99 - symbol: N # 100 coordinates: [ 0.890689380000000, 0.587049530000000, 0.939709750000000 ] mass: 14.006700 reduced_to: 100 - symbol: N # 101 coordinates: [ 0.079732070000000, 0.382563370000000, 0.557846050000000 ] mass: 14.006700 reduced_to: 101 - symbol: N # 102 coordinates: [ 0.653839920000000, 0.103663570000000, 0.044075820000000 ] mass: 14.006700 reduced_to: 102 - symbol: N # 103 coordinates: [ 0.124349050000000, 0.745158680000000, 0.208021360000000 ] mass: 14.006700 reduced_to: 103 - symbol: N # 104 coordinates: [ 0.384777210000000, 0.577917370000000, 0.686564730000000 ] mass: 14.006700 reduced_to: 104 - symbol: N # 105 coordinates: [ 0.890689380000000, 0.912950470000000, 0.439709750000000 ] mass: 14.006700 reduced_to: 105 - symbol: N # 106 coordinates: [ 0.346160080000000, 0.896336430000000, 0.955924180000000 ] mass: 14.006700 reduced_to: 106 - symbol: N # 107 coordinates: [ 0.161812450000000, 0.370621860000000, 0.834039930000000 ] mass: 14.006700 reduced_to: 107 - symbol: N # 108 coordinates: [ 0.639601980000000, 0.397255210000000, 0.049353310000000 ] mass: 14.006700 reduced_to: 108 - symbol: N # 109 coordinates: [ 0.868761060000000, 0.575830820000000, 0.677957790000000 ] mass: 14.006700 reduced_to: 109 - symbol: N # 110 coordinates: [ 0.109310620000000, 0.412950470000000, 0.060290250000000 ] mass: 14.006700 reduced_to: 110 - symbol: N # 111 coordinates: [ 0.419519640000000, 0.626331350000000, 0.176066850000000 ] mass: 14.006700 reduced_to: 111 - symbol: N # 112 coordinates: [ 0.615222790000000, 0.077917370000000, 0.813435270000000 ] mass: 14.006700 reduced_to: 112displacements:- atom: 1 displacement: [ 0.0099999995909515, 0.0000000000000000, -0.0000028602394792 ] forces: - [ -0.0274366100000000, -0.0008019200000000, 0.0041798800000000 ] - [ 0.0024494800000000, -0.0002966600000000, 0.0001831700000000 ] - [ 0.0002974100000000, 0.0002554100000000, -0.0000693200000000 ] - [ 0.0000006400000000, 0.0001362900000000, -0.0002409400000000 ] - [ 0.0000196700000000, -0.0002177700000000, -0.0002118000000000 ] - [ -0.0001090400000000, 0.0002953700000000, -0.0000987200000000 ] - [ -0.0001002700000000, -0.0001275300000000, 0.0001726400000000 ] - [ 0.0002550700000000, -0.0002875900000000, 0.0000018700000000 ] - [ 0.0000245000000000, 0.0001238700000000, -0.0000252200000000 ] - [ 0.0000560800000000, 0.0001084000000000, 0.0000615600000000 ] - [ -0.0001028100000000, 0.0002828500000000, -0.0000503600000000 ] - [ -0.0000777200000000, -0.0000212300000000, -0.0000242900000000 ] - [ -0.0001247100000000, -0.0001854100000000, -0.0002405400000000 ] - [ -0.0017070000000000, -0.0001053400000000, 0.0001098500000000 ] - [ 0.0001558200000000, 0.0000788700000000, -0.0000988300000000 ] - [ 0.0026201700000000, 0.0039354800000000, -0.0005218500000000 ] - [ 0.0003885000000000, -0.0000983900000000, -0.0000691800000000 ] - [ 0.0000498700000000, -0.0001484200000000, -0.0000309900000000 ] - [ -0.0000500100000000, 0.0003305300000000, -0.0002996700000000 ] - [ 0.0000672800000000, 0.0005375200000000, 0.0003382800000000 ] - [ 0.0000095000000000, 0.0001213300000000, 0.0002446000000000 ] - [ -0.0000775800000000, -0.0001684000000000, 0.0001690400000000 ] - [ -0.0000165400000000, 0.0001443000000000, -0.0001064300000000 ] - [ -0.0000173200000000, 0.0002490600000000, -0.0000244900000000 ] - [ -0.0008356000000000, -0.0002739400000000, -0.0003360500000000 ] - [ 0.0000125600000000, -0.0001151800000000, -0.0001114600000000 ] - [ -0.0000333100000000, -0.0002991000000000, 0.0000467800000000 ] - [ 0.0000317800000000, 0.0000212800000000, 0.0002199900000000 ] - [ 0.0000169700000000, 0.0000595800000000, 0.0000603100000000 ] - [ -0.0007250500000000, -0.0002037300000000, -0.0000773700000000 ] - [ -0.0001626100000000, 0.0000773100000000, 0.0001174600000000 ] - [ -0.0000268600000000, -0.0000195200000000, 0.0000677400000000 ] - [ -0.0009215300000000, 0.0001479600000000, -0.0002201600000000 ] - [ 0.0024409300000000, 0.0035954100000000, 0.0010147900000000 ] - [ 0.0015978100000000, -0.0029741000000000, 0.0007236600000000 ] - [ -0.0000424100000000, 0.0000764300000000, -0.0001030700000000 ] - [ 0.0002896200000000, 0.0000127800000000, -0.0000593800000000 ] - [ 0.0008044000000000, 0.0001841900000000, -0.0001222600000000 ] - [ -0.0000683500000000, -0.0002887100000000, 0.0003162900000000 ] - [ 0.0004391800000000, -0.0000247300000000, -0.0000377700000000 ] - [ -0.0001531100000000, -0.0001753500000000, -0.0002591300000000 ] - [ 0.0007614900000000, 0.0000718500000000, 0.0000049800000000 ] - [ 0.0003409800000000, -0.0001968100000000, -0.0000060700000000 ] - [ 0.0000041500000000, -0.0004038400000000, -0.0000626900000000 ] - [ -0.0023511200000000, 0.0001907700000000, 0.0000294900000000 ] - [ 0.0031855600000000, -0.0043208800000000, -0.0008590600000000 ] - [ 0.0003297300000000, 0.0001942500000000, -0.0000273100000000 ] - [ -0.0000723100000000, -0.0001352900000000, -0.0000834400000000 ] - [ -0.0002847000000000, 0.0000345100000000, -0.0047849400000000 ] - [ 0.0006549600000000, -0.0000183400000000, 0.0001692000000000 ] - [ 0.0001322100000000, -0.0000542600000000, -0.0009340400000000 ] - [ -0.0000099000000000, 0.0001137700000000, 0.0001694100000000 ] - [ 0.0000812200000000, 0.0002411100000000, -0.0001420200000000 ] - [ 0.0002198300000000, 0.0001377600000000, 0.0000802200000000 ] - [ 0.0089393600000000, 0.0011378200000000, 0.0085149200000000 ] - [ -0.0001975900000000, -0.0001528400000000, -0.0002484800000000 ] - [ -0.0001667400000000, 0.0001665900000000, -0.0001177300000000 ] - [ 0.0004701600000000, -0.0001483800000000, 0.0003001200000000 ] - [ 0.0001725800000000, -0.0002603900000000, -0.0001285900000000 ] - [ -0.0014387300000000, -0.0003060200000000, 0.0041629600000000 ] - [ -0.0007339100000000, 0.0004020500000000, -0.0013978600000000 ] - [ -0.0005503000000000, -0.0000085400000000, 0.0013825400000000 ] - [ 0.0116212100000000, -0.0011709400000000, -0.0118597700000000 ] - [ 0.0000257000000000, -0.0000923000000000, 0.0003267600000000 ] - [ -0.0000798900000000, 0.0001315200000000, -0.0001122100000000 ] - [ -0.0000883000000000, 0.0001010800000000, 0.0000286800000000 ] - [ 0.0005658400000000, -0.0010843500000000, 0.0013197700000000 ] - [ -0.0001688200000000, -0.0000615000000000, -0.0002911000000000 ] - [ -0.0001817800000000, -0.0002333600000000, 0.0001413100000000 ] - [ 0.0001602800000000, -0.0001172300000000, -0.0000952400000000 ] - [ 0.0015838300000000, -0.0002751400000000, -0.0005196300000000 ] - [ -0.0063379000000000, -0.0001026300000000, 0.0004960700000000 ] - [ -0.0001505200000000, -0.0002715900000000, 0.0003056500000000 ] - [ -0.0009039300000000, -0.0006057300000000, 0.0019984400000000 ] - [ 0.0004555700000000, 0.0000714000000000, -0.0001480200000000 ] - [ 0.0030837700000000, -0.0001833900000000, 0.0000396900000000 ] - [ 0.0017331200000000, 0.0015382700000000, 0.0004510500000000 ] - [ -0.0007026700000000, -0.0000807900000000, 0.0002646300000000 ] - [ -0.0005078000000000, -0.0000064700000000, -0.0000375900000000 ] - [ 0.0004063500000000, 0.0000119200000000, 0.0001977700000000 ] - [ -0.0000992700000000, 0.0002825200000000, 0.0001891900000000 ] - [ -0.0000515500000000, -0.0003706100000000, 0.0003914400000000 ] - [ -0.0003255200000000, 0.0000618700000000, -0.0000686700000000 ] - [ -0.0001199000000000, -0.0001148100000000, 0.0001946300000000 ] - [ -0.0002240700000000, -0.0000123200000000, 0.0015783900000000 ] - [ 0.0000607800000000, 0.0000778400000000, -0.0002325200000000 ] - [ 0.0001745900000000, 0.0000565500000000, -0.0000217300000000 ] - [ -0.0001247200000000, -0.0002226900000000, -0.0000783500000000 ] - [ -0.0000728600000000, 0.0004074100000000, -0.0000740400000000 ] - [ -0.0003893500000000, 0.0001871200000000, 0.0002162100000000 ] - [ 0.0006200800000000, 0.0002291900000000, 0.0029444800000000 ] - [ -0.0000135500000000, 0.0001022900000000, 0.0002258700000000 ] - [ 0.0016536400000000, 0.0002433100000000, -0.0001252600000000 ] - [ -0.0005326700000000, 0.0002708000000000, -0.0020751300000000 ] - [ 0.0001547900000000, -0.0000111400000000, -0.0003025900000000 ] - [ -0.0005716500000000, -0.0003094400000000, 0.0000155100000000 ] - [ 0.0004710200000000, -0.0000445600000000, -0.0024066200000000 ] - [ -0.0000504800000000, -0.0003349200000000, -0.0010925000000000 ] - [ -0.0000545900000000, 0.0002253100000000, 0.0000906600000000 ] - [ 0.0000503500000000, -0.0002883400000000, 0.0000520700000000 ] - [ 0.0009444600000000, -0.0006241700000000, -0.0001776400000000 ] - [ -0.0000717400000000, 0.0002906700000000, 0.0000858600000000 ] - [ 0.0013122200000000, 0.0002072900000000, -0.0002025800000000 ] - [ -0.0002897600000000, -0.0002272400000000, -0.0013466800000000 ] - [ -0.0010832900000000, 0.0017171200000000, -0.0029592600000000 ] - [ 0.0000818500000000, -0.0002971700000000, -0.0000946300000000 ] - [ 0.0001798700000000, -0.0000709800000000, 0.0001662800000000 ] - [ 0.0000582000000000, -0.0000594400000000, 0.0000802500000000 ] - [ -0.0005889200000000, -0.0000887100000000, 0.0016045900000000 ] - [ 0.0000523700000000, 0.0000379700000000, 0.0001510000000000 ] - [ -0.0002317200000000, 0.0005238900000000, 0.0002434000000000 ] - [ -0.0001584200000000, -0.0000395000000000, -0.0000881700000000 ]- atom: 1 displacement: [ -0.0099999995909515, 0.0000000000000000, 0.0000028602394792 ] forces: - [ 0.0260377900000000, 0.0000916800000000, -0.0025696500000000 ] - [ -0.0029513500000000, -0.0002830300000000, -0.0003005500000000 ] - [ 0.0002340300000000, 0.0003384900000000, 0.0001617100000000 ] - [ -0.0000108600000000, 0.0001294500000000, -0.0001887400000000 ] - [ -0.0000278400000000, -0.0000287300000000, -0.0002179100000000 ] - [ -0.0003989000000000, 0.0003034800000000, -0.0000326200000000 ] - [ 0.0001326100000000, -0.0001172200000000, 0.0002483300000000 ] - [ 0.0002764000000000, -0.0002856100000000, 0.0000827900000000 ] - [ 0.0000261800000000, 0.0000884300000000, 0.0000575600000000 ] - [ 0.0000732600000000, 0.0001954200000000, 0.0001292500000000 ] - [ 0.0001132300000000, 0.0002868600000000, -0.0000318000000000 ] - [ 0.0000853200000000, -0.0000067900000000, -0.0000117600000000 ] - [ -0.0001196800000000, 0.0002585300000000, 0.0003286200000000 ] - [ 0.0018701900000000, -0.0000402400000000, 0.0000686100000000 ] - [ -0.0000242600000000, 0.0000993100000000, -0.0000760500000000 ] - [ -0.0027863200000000, -0.0037761100000000, 0.0003542500000000 ] - [ -0.0002571200000000, -0.0000595100000000, -0.0001026700000000 ] - [ -0.0000525300000000, -0.0000907200000000, 0.0000028400000000 ] - [ -0.0000584800000000, -0.0001695500000000, 0.0004428900000000 ] - [ -0.0000535800000000, 0.0000378400000000, -0.0002752900000000 ] - [ 0.0000251400000000, 0.0002204000000000, 0.0002151000000000 ] - [ -0.0000321300000000, 0.0000332700000000, -0.0000269400000000 ] - [ 0.0000333500000000, -0.0000905400000000, 0.0001221300000000 ] - [ -0.0000039000000000, 0.0001288000000000, 0.0000215700000000 ] - [ 0.0008476800000000, 0.0003049600000000, 0.0002843300000000 ] - [ -0.0001041900000000, -0.0001373600000000, -0.0000827800000000 ] - [ 0.0000103600000000, -0.0000600300000000, -0.0000514500000000 ] - [ 0.0000059000000000, -0.0003445800000000, 0.0002412400000000 ] - [ 0.0001434900000000, 0.0001138500000000, 0.0001030900000000 ] - [ 0.0007355100000000, -0.0003330700000000, -0.0000191500000000 ] - [ -0.0000822200000000, -0.0001387700000000, -0.0000328600000000 ] - [ 0.0001198800000000, -0.0000300500000000, 0.0001158900000000 ] - [ 0.0009089600000000, 0.0001985600000000, -0.0002551900000000 ] - [ -0.0022974300000000, -0.0038345000000000, -0.0008087100000000 ] - [ -0.0015489000000000, 0.0027486800000000, -0.0006877200000000 ] - [ -0.0000393300000000, 0.0000140000000000, -0.0000936600000000 ] - [ -0.0000215200000000, 0.0000435500000000, -0.0000681700000000 ] - [ -0.0008990800000000, 0.0000968500000000, -0.0000780800000000 ] - [ 0.0000843800000000, 0.0002554200000000, -0.0003013600000000 ] - [ -0.0001704000000000, -0.0000129600000000, -0.0000869400000000 ] - [ 0.0001418400000000, -0.0001537500000000, -0.0002197300000000 ] - [ -0.0007674100000000, 0.0001748400000000, -0.0000327100000000 ] - [ -0.0002954700000000, -0.0001708200000000, -0.0000143600000000 ] - [ 0.0000107400000000, -0.0001556300000000, 0.0001275300000000 ] - [ 0.0024439000000000, -0.0001447000000000, 0.0001709100000000 ] - [ -0.0032896800000000, 0.0043076500000000, 0.0006779700000000 ] - [ -0.0002839700000000, 0.0001893200000000, 0.0000066100000000 ] - [ -0.0000893100000000, -0.0000522000000000, -0.0000938500000000 ] - [ 0.0007491100000000, -0.0002693000000000, 0.0050574100000000 ] - [ -0.0001300300000000, -0.0002128500000000, 0.0001402300000000 ] - [ -0.0006579900000000, -0.0001677800000000, 0.0005931300000000 ] - [ -0.0000759500000000, 0.0001013100000000, 0.0002964200000000 ] - [ 0.0000944700000000, 0.0002150800000000, -0.0001233900000000 ] - [ 0.0003111200000000, 0.0001196800000000, 0.0002297700000000 ] - [ -0.0095548600000000, -0.0009086200000000, -0.0089929500000000 ] - [ -0.0002110900000000, -0.0000966500000000, -0.0000166200000000 ] - [ -0.0002447000000000, 0.0000918700000000, -0.0001383800000000 ] - [ -0.0003335900000000, -0.0000463800000000, -0.0007957900000000 ] - [ 0.0000037800000000, -0.0001848000000000, -0.0001301500000000 ] - [ 0.0012538300000000, -0.0001162600000000, -0.0038942900000000 ] - [ 0.0005722300000000, 0.0000308800000000, 0.0016377900000000 ] - [ 0.0009961200000000, 0.0002496500000000, -0.0011406400000000 ] - [ -0.0113501900000000, 0.0013678300000000, 0.0111690300000000 ] - [ -0.0001321100000000, -0.0001103300000000, 0.0001493000000000 ] - [ -0.0001122400000000, -0.0000742200000000, 0.0000295200000000 ] - [ -0.0000322800000000, 0.0001138500000000, -0.0002167700000000 ] - [ -0.0006709700000000, 0.0010511500000000, -0.0014496400000000 ] - [ 0.0001878500000000, 0.0002909200000000, 0.0001378900000000 ] - [ 0.0000943900000000, -0.0003019700000000, 0.0000762600000000 ] - [ -0.0000492900000000, -0.0000807100000000, -0.0001801000000000 ] - [ -0.0018913300000000, 0.0003071300000000, 0.0005683600000000 ] - [ 0.0062314700000000, 0.0003082200000000, -0.0000400900000000 ] - [ 0.0000090300000000, -0.0001605400000000, 0.0002039100000000 ] - [ 0.0008994600000000, 0.0004006300000000, -0.0021670400000000 ] - [ -0.0003470000000000, 0.0001513900000000, -0.0001295700000000 ] - [ -0.0029215200000000, -0.0002525300000000, -0.0005405300000000 ] - [ -0.0015835600000000, -0.0010359100000000, -0.0006168000000000 ] - [ 0.0006062300000000, -0.0001062800000000, 0.0001790400000000 ] - [ 0.0007243300000000, 0.0000623900000000, 0.0001023500000000 ] - [ -0.0003473400000000, 0.0002248700000000, -0.0000169500000000 ] - [ -0.0000359000000000, 0.0001685500000000, 0.0003196400000000 ] - [ 0.0001216000000000, 0.0004674500000000, -0.0001853800000000 ] - [ 0.0002648000000000, 0.0000278800000000, -0.0001364800000000 ] - [ -0.0000044400000000, -0.0000828100000000, -0.0003767800000000 ] - [ 0.0003648200000000, -0.0001856000000000, -0.0013910100000000 ] - [ 0.0000579900000000, 0.0001239100000000, -0.0002690600000000 ] - [ 0.0000721100000000, -0.0000083400000000, -0.0001145600000000 ] - [ 0.0000082800000000, -0.0002078900000000, 0.0000098400000000 ] - [ 0.0000052600000000, -0.0001791500000000, 0.0003477600000000 ] - [ 0.0003141200000000, 0.0003591700000000, -0.0000104600000000 ] - [ -0.0004766300000000, 0.0002215400000000, -0.0028630800000000 ] - [ -0.0002093400000000, -0.0001313700000000, -0.0000992600000000 ] - [ -0.0016432800000000, -0.0003768600000000, 0.0003165700000000 ] - [ 0.0005995400000000, -0.0007858300000000, 0.0018813600000000 ] - [ -0.0000156700000000, -0.0001715000000000, -0.0001958100000000 ] - [ 0.0005415800000000, -0.0002018200000000, 0.0000634600000000 ] - [ -0.0003267900000000, 0.0002626600000000, 0.0025988200000000 ] - [ 0.0001975700000000, -0.0000975500000000, 0.0011576200000000 ] - [ -0.0000623300000000, 0.0002233300000000, -0.0001540200000000 ] - [ -0.0000365900000000, 0.0001363900000000, -0.0002613800000000 ] - [ -0.0007007300000000, 0.0005810200000000, 0.0000359200000000 ] - [ 0.0000386900000000, 0.0002563900000000, -0.0000009300000000 ] - [ -0.0011487500000000, 0.0002454700000000, -0.0003233000000000 ] - [ 0.0003704400000000, 0.0001474800000000, 0.0015394600000000 ] - [ 0.0010555800000000, -0.0015609900000000, 0.0027358400000000 ] - [ -0.0000301900000000, -0.0001938700000000, -0.0000093800000000 ] - [ -0.0001048500000000, -0.0001504600000000, 0.0000285100000000 ] - [ 0.0001573400000000, 0.0000109400000000, -0.0000100900000000 ] - [ 0.0005091800000000, -0.0001186400000000, -0.0013397500000000 ] - [ -0.0000403500000000, 0.0001227800000000, 0.0000509800000000 ] - [ 0.0002799400000000, 0.0000169000000000, -0.0004136600000000 ] - [ 0.0000953100000000, -0.0000240500000000, -0.0001146000000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0006767000000000, -0.0256577400000000, -0.0011943600000000 ] - [ -0.0002898700000000, -0.0007519100000000, -0.0003102500000000 ] - [ 0.0002633900000000, 0.0005339300000000, 0.0000227600000000 ] - [ -0.0000253400000000, 0.0001105500000000, -0.0001603900000000 ] - [ -0.0001029900000000, 0.0001395000000000, -0.0003262800000000 ] - [ -0.0002628500000000, 0.0002925000000000, 0.0000014300000000 ] - [ 0.0000009200000000, -0.0001220900000000, 0.0002897800000000 ] - [ 0.0002705500000000, -0.0003171200000000, 0.0001318000000000 ] - [ 0.0000128400000000, 0.0000913500000000, 0.0000568900000000 ] - [ 0.0000574200000000, 0.0001339500000000, 0.0001363200000000 ] - [ -0.0000101400000000, 0.0002421700000000, -0.0000359300000000 ] - [ -0.0000053400000000, -0.0000007300000000, 0.0000267700000000 ] - [ -0.0001835800000000, 0.0000834100000000, 0.0001315300000000 ] - [ 0.0001333300000000, 0.0047490300000000, 0.0036797200000000 ] - [ 0.0000538900000000, 0.0000966400000000, -0.0000644600000000 ] - [ 0.0033788800000000, 0.0027935700000000, -0.0005342400000000 ] - [ 0.0000323500000000, -0.0000533700000000, -0.0000264600000000 ] - [ -0.0000217600000000, -0.0001184400000000, 0.0000395900000000 ] - [ 0.0000913100000000, 0.0000648500000000, -0.0000185500000000 ] - [ 0.0000815900000000, 0.0003529700000000, 0.0001191500000000 ] - [ 0.0000033100000000, 0.0001311500000000, 0.0002546400000000 ] - [ -0.0000253400000000, -0.0000672000000000, 0.0000488200000000 ] - [ -0.0000388200000000, 0.0000326500000000, -0.0000185700000000 ] - [ -0.0000110500000000, 0.0001578200000000, 0.0000080900000000 ] - [ -0.0002443300000000, 0.0014221800000000, 0.0025174900000000 ] - [ -0.0000625800000000, -0.0001521300000000, -0.0000589300000000 ] - [ -0.0000023000000000, -0.0001097800000000, 0.0000117600000000 ] - [ 0.0000355300000000, 0.0000522400000000, 0.0001666800000000 ] - [ 0.0000789300000000, 0.0000826400000000, 0.0001349700000000 ] - [ 0.0000302500000000, 0.0009767300000000, -0.0019048200000000 ] - [ -0.0001235500000000, -0.0000284800000000, 0.0001586900000000 ] - [ 0.0000393100000000, -0.0000429900000000, 0.0001513900000000 ] - [ 0.0000045700000000, -0.0001101300000000, 0.0005873600000000 ] - [ 0.0035155000000000, 0.0024396600000000, 0.0006547700000000 ] - [ -0.0024910500000000, 0.0022473100000000, -0.0006121100000000 ] - [ -0.0000575300000000, 0.0000393600000000, -0.0000475500000000 ] - [ 0.0001251600000000, -0.0000053200000000, -0.0000410600000000 ] - [ -0.0000704000000000, 0.0000987900000000, -0.0002770400000000 ] - [ -0.0001160700000000, -0.0000281000000000, -0.0000921200000000 ] - [ 0.0001256800000000, 0.0000028400000000, -0.0000831800000000 ] - [ -0.0000156300000000, -0.0001649300000000, -0.0001757700000000 ] - [ -0.0000374400000000, 0.0002574100000000, 0.0000829600000000 ] - [ 0.0000124700000000, -0.0002323600000000, 0.0000690900000000 ] - [ -0.0000087800000000, -0.0002935000000000, 0.0001096500000000 ] - [ 0.0001872600000000, 0.0058308400000000, -0.0057836800000000 ] - [ -0.0040465400000000, 0.0025453000000000, 0.0003645100000000 ] - [ 0.0000131700000000, 0.0002217500000000, 0.0000151300000000 ] - [ -0.0000928700000000, -0.0001114900000000, -0.0000324800000000 ] - [ 0.0004178100000000, -0.0021878100000000, -0.0001577300000000 ] - [ 0.0000949100000000, 0.0051346500000000, 0.0005939000000000 ] - [ -0.0003367500000000, -0.0001794600000000, -0.0001074400000000 ] - [ -0.0000771500000000, 0.0000797800000000, 0.0003045900000000 ] - [ 0.0000468000000000, 0.0001938800000000, -0.0000917700000000 ] - [ 0.0002906700000000, 0.0001044100000000, 0.0002227300000000 ] - [ 0.0002493300000000, -0.0035148700000000, 0.0003647600000000 ] - [ -0.0002209800000000, 0.0000889100000000, 0.0000811700000000 ] - [ -0.0003144000000000, 0.0005555400000000, -0.0001473500000000 ] - [ 0.0000920800000000, -0.0001623100000000, -0.0001638200000000 ] - [ 0.0000450400000000, -0.0001252800000000, -0.0000878300000000 ] - [ -0.0002231900000000, -0.0022373900000000, -0.0000462700000000 ] - [ -0.0000541000000000, -0.0000015700000000, 0.0003828100000000 ] - [ 0.0001517500000000, -0.0000575400000000, 0.0003920700000000 ] - [ -0.0008017200000000, -0.0037661800000000, 0.0006904100000000 ] - [ 0.0001107400000000, 0.0003720900000000, 0.0002106000000000 ] - [ -0.0001055800000000, 0.0000774900000000, -0.0001018300000000 ] - [ -0.0000578200000000, 0.0000874300000000, -0.0001598900000000 ] - [ 0.0002563700000000, 0.0041733400000000, 0.0000630800000000 ] - [ -0.0000191900000000, 0.0000636600000000, -0.0001377900000000 ] - [ 0.0000078800000000, -0.0003753900000000, 0.0000553900000000 ] - [ 0.0000322200000000, -0.0002144800000000, -0.0002083600000000 ] - [ -0.0001367600000000, 0.0038064600000000, 0.0004749900000000 ] - [ -0.0000330200000000, 0.0001631300000000, 0.0002074700000000 ] - [ -0.0000091200000000, -0.0002627400000000, 0.0002542700000000 ] - [ 0.0004745100000000, 0.0008507800000000, -0.0012864000000000 ] - [ -0.0000297700000000, -0.0003685000000000, -0.0005207700000000 ] - [ 0.0000871300000000, 0.0001290600000000, -0.0007703300000000 ] - [ -0.0000007000000000, 0.0042490600000000, -0.0000081800000000 ] - [ -0.0000455300000000, -0.0000969200000000, 0.0002042000000000 ] - [ 0.0001904600000000, -0.0003107700000000, 0.0000139000000000 ] - [ 0.0000513200000000, -0.0003194300000000, 0.0005707100000000 ] - [ -0.0000392000000000, 0.0002235700000000, 0.0003008400000000 ] - [ 0.0000397000000000, 0.0002258600000000, 0.0000177700000000 ] - [ -0.0000263600000000, -0.0000108000000000, -0.0000931200000000 ] - [ -0.0001046800000000, -0.0002553500000000, -0.0005800300000000 ] - [ 0.0001208500000000, -0.0000540900000000, -0.0000016000000000 ] - [ 0.0000486400000000, 0.0000953200000000, -0.0002509300000000 ] - [ 0.0001056400000000, 0.0000034500000000, -0.0001222200000000 ] - [ -0.0000756200000000, -0.0002265900000000, -0.0000999300000000 ] - [ -0.0000600300000000, 0.0002746400000000, 0.0000524100000000 ] - [ 0.0000056500000000, 0.0003286300000000, 0.0000794000000000 ] - [ -0.0000430100000000, 0.0001661000000000, -0.0003252900000000 ] - [ -0.0001184300000000, -0.0000085600000000, 0.0000491400000000 ] - [ -0.0007165000000000, -0.0031398300000000, -0.0014298400000000 ] - [ -0.0003445700000000, 0.0005906500000000, -0.0012857500000000 ] - [ -0.0004166600000000, -0.0003827500000000, -0.0002445100000000 ] - [ -0.0001665600000000, -0.0007913000000000, 0.0002959200000000 ] - [ 0.0001495500000000, 0.0000850100000000, -0.0003004500000000 ] - [ 0.0000029400000000, -0.0001532200000000, -0.0000549400000000 ] - [ -0.0000948200000000, 0.0002192400000000, -0.0001201700000000 ] - [ 0.0000000800000000, -0.0000308800000000, -0.0001536700000000 ] - [ 0.0010608100000000, -0.0052970500000000, 0.0016850100000000 ] - [ -0.0000217200000000, 0.0002542200000000, -0.0000019500000000 ] - [ 0.0000683300000000, 0.0002443300000000, -0.0003320000000000 ] - [ 0.0003538300000000, 0.0006832800000000, 0.0014466300000000 ] - [ 0.0010632400000000, 0.0029103500000000, 0.0010791100000000 ] - [ 0.0000209000000000, -0.0002695700000000, -0.0000783000000000 ] - [ -0.0000920300000000, -0.0002779400000000, -0.0000341600000000 ] - [ 0.0001005300000000, -0.0000161700000000, -0.0000114500000000 ] - [ -0.0004540800000000, 0.0005969900000000, 0.0014627800000000 ] - [ -0.0000106300000000, 0.0000831600000000, 0.0000529700000000 ] - [ 0.0000282000000000, 0.0002385000000000, -0.0001290600000000 ] - [ -0.0000420100000000, -0.0001134400000000, -0.0001373700000000 ]- atom: 1 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000008400000000, 0.0259256100000000, 0.0018360100000000 ] - [ -0.0002243900000000, 0.0001597500000000, 0.0001773600000000 ] - [ 0.0002656600000000, 0.0000574200000000, 0.0001116300000000 ] - [ 0.0000094700000000, 0.0001376100000000, -0.0002807800000000 ] - [ 0.0000836600000000, -0.0003909200000000, -0.0001237700000000 ] - [ -0.0002508300000000, 0.0002994800000000, -0.0001336600000000 ] - [ 0.0000267900000000, -0.0001293800000000, 0.0001541400000000 ] - [ 0.0002564400000000, -0.0002792800000000, 0.0000092200000000 ] - [ 0.0000309500000000, 0.0001292100000000, -0.0000454700000000 ] - [ 0.0000705600000000, 0.0001495300000000, 0.0000326100000000 ] - [ 0.0000129100000000, 0.0003188200000000, -0.0000439500000000 ] - [ 0.0000158400000000, -0.0000300500000000, -0.0000534600000000 ] - [ -0.0000674000000000, -0.0000145100000000, 0.0000126700000000 ] - [ 0.0000485800000000, -0.0049959400000000, -0.0035681600000000 ] - [ 0.0000578600000000, 0.0000879000000000, -0.0001153400000000 ] - [ -0.0035937800000000, -0.0026198300000000, 0.0003682100000000 ] - [ 0.0000854900000000, -0.0001287200000000, -0.0001474800000000 ] - [ -0.0000086600000000, -0.0001074500000000, -0.0000518500000000 ] - [ -0.0001934100000000, 0.0001108500000000, 0.0001844800000000 ] - [ -0.0000724400000000, 0.0002121300000000, -0.0000384000000000 ] - [ 0.0000225100000000, 0.0001892100000000, 0.0002117900000000 ] - [ -0.0000721800000000, -0.0001179500000000, 0.0001279000000000 ] - [ 0.0000393700000000, -0.0000039100000000, 0.0000474800000000 ] - [ -0.0000156600000000, 0.0002071100000000, 0.0000021400000000 ] - [ 0.0002515300000000, -0.0013868700000000, -0.0025105700000000 ] - [ -0.0000511300000000, -0.0001353300000000, -0.0001092400000000 ] - [ -0.0000235400000000, -0.0002571000000000, -0.0000004500000000 ] - [ -0.0000122200000000, -0.0003755200000000, 0.0003027000000000 ] - [ 0.0001044800000000, 0.0001120900000000, 0.0000397300000000 ] - [ -0.0000272500000000, -0.0015489700000000, 0.0018487600000000 ] - [ -0.0001269600000000, -0.0000470400000000, -0.0000104100000000 ] - [ 0.0000633700000000, -0.0000481900000000, 0.0000513900000000 ] - [ -0.0000190900000000, 0.0004352100000000, -0.0010515100000000 ] - [ -0.0033358300000000, -0.0027076600000000, -0.0004737200000000 ] - [ 0.0025681900000000, -0.0024868600000000, 0.0006281200000000 ] - [ -0.0000336400000000, 0.0000499200000000, -0.0001528800000000 ] - [ 0.0001388900000000, 0.0000741100000000, -0.0001048400000000 ] - [ -0.0000484700000000, 0.0001796100000000, 0.0000884300000000 ] - [ 0.0001150200000000, -0.0000045400000000, 0.0001225300000000 ] - [ 0.0001392400000000, -0.0000745600000000, -0.0000623100000000 ] - [ 0.0000022400000000, -0.0001617500000000, -0.0002896300000000 ] - [ 0.0000074800000000, -0.0000328900000000, -0.0000975900000000 ] - [ 0.0000271800000000, -0.0001348500000000, -0.0000772500000000 ] - [ 0.0000175600000000, -0.0002744900000000, -0.0000286700000000 ] - [ -0.0000818000000000, -0.0056753800000000, 0.0058758200000000 ] - [ 0.0038991100000000, -0.0026185900000000, -0.0005586600000000 ] - [ 0.0000263500000000, 0.0001435900000000, -0.0000229400000000 ] - [ -0.0000782500000000, -0.0000832000000000, -0.0001420800000000 ] - [ 0.0000477100000000, 0.0019633800000000, 0.0004048500000000 ] - [ 0.0004962300000000, -0.0053315200000000, -0.0002192300000000 ] - [ -0.0002294500000000, -0.0000501500000000, -0.0002512200000000 ] - [ -0.0000614800000000, 0.0001111800000000, 0.0001779800000000 ] - [ 0.0001522200000000, 0.0002176300000000, -0.0001694900000000 ] - [ 0.0002912900000000, 0.0001216500000000, 0.0001338200000000 ] - [ -0.0007961400000000, 0.0037396700000000, -0.0006990300000000 ] - [ -0.0002242900000000, -0.0003257800000000, -0.0003387100000000 ] - [ -0.0001289500000000, -0.0003249800000000, -0.0001224500000000 ] - [ 0.0000576300000000, -0.0000336800000000, -0.0003183700000000 ] - [ 0.0001559400000000, -0.0002860800000000, -0.0001709700000000 ] - [ 0.0000186100000000, 0.0018220700000000, 0.0002924400000000 ] - [ -0.0001364900000000, 0.0004158300000000, -0.0001154100000000 ] - [ 0.0003004600000000, 0.0002898700000000, -0.0001187300000000 ] - [ 0.0009201000000000, 0.0039639100000000, -0.0011464900000000 ] - [ -0.0002426000000000, -0.0005602100000000, 0.0002722800000000 ] - [ -0.0000815000000000, -0.0000249300000000, 0.0000331100000000 ] - [ -0.0000601600000000, 0.0001105800000000, -0.0000549100000000 ] - [ -0.0003900900000000, -0.0041875900000000, -0.0001680300000000 ] - [ 0.0000169900000000, 0.0001458600000000, -0.0000319200000000 ] - [ -0.0000423800000000, -0.0001603100000000, 0.0001269900000000 ] - [ 0.0000548900000000, -0.0000217000000000, -0.0000510300000000 ] - [ -0.0001559600000000, -0.0038232200000000, -0.0003951800000000 ] - [ -0.0000757200000000, 0.0000277300000000, 0.0002519400000000 ] - [ -0.0001432600000000, -0.0001792500000000, 0.0002693500000000 ] - [ -0.0004780500000000, -0.0010598100000000, 0.0011255500000000 ] - [ 0.0001176100000000, 0.0006065500000000, 0.0002678500000000 ] - [ 0.0000834700000000, -0.0005697300000000, 0.0002428900000000 ] - [ 0.0001321400000000, -0.0037689700000000, -0.0001461200000000 ] - [ -0.0000649000000000, -0.0000971900000000, 0.0002536900000000 ] - [ 0.0000125400000000, 0.0003590500000000, 0.0000555000000000 ] - [ -0.0000385600000000, 0.0005299300000000, -0.0003966700000000 ] - [ -0.0001125800000000, 0.0002148300000000, 0.0002245700000000 ] - [ 0.0000247200000000, -0.0001169400000000, 0.0001705200000000 ] - [ -0.0000256400000000, 0.0001194200000000, -0.0000945200000000 ] - [ -0.0000135100000000, 0.0000501000000000, 0.0003436000000000 ] - [ 0.0000081600000000, -0.0001473200000000, 0.0002253300000000 ] - [ 0.0000726800000000, 0.0000962000000000, -0.0002069500000000 ] - [ 0.0001390000000000, 0.0000301000000000, -0.0000156000000000 ] - [ -0.0000549000000000, -0.0002093700000000, 0.0000017800000000 ] - [ -0.0000149500000000, -0.0000363800000000, 0.0002048500000000 ] - [ -0.0000424500000000, 0.0002008400000000, 0.0001063200000000 ] - [ 0.0001861100000000, 0.0002661500000000, 0.0004182400000000 ] - [ -0.0001127100000000, -0.0000252700000000, 0.0000896900000000 ] - [ 0.0007133900000000, 0.0031027200000000, 0.0016250100000000 ] - [ 0.0003964600000000, -0.0011113100000000, 0.0011001400000000 ] - [ 0.0005284100000000, 0.0001847100000000, -0.0002164000000000 ] - [ 0.0001209000000000, 0.0002354700000000, -0.0001871800000000 ] - [ -0.0000183900000000, 0.0001134700000000, 0.0005144900000000 ] - [ 0.0001408400000000, -0.0002826700000000, 0.0001500200000000 ] - [ -0.0000356800000000, 0.0002130300000000, 0.0000268900000000 ] - [ 0.0000026700000000, -0.0001383500000000, -0.0000339300000000 ] - [ -0.0008113500000000, 0.0052647900000000, -0.0018266900000000 ] - [ -0.0000221600000000, 0.0002901700000000, 0.0001036000000000 ] - [ 0.0001017400000000, 0.0001928900000000, -0.0001906400000000 ] - [ -0.0002910700000000, -0.0007988600000000, -0.0012574800000000 ] - [ -0.0010905100000000, -0.0027047200000000, -0.0012889000000000 ] - [ 0.0000355400000000, -0.0002753200000000, -0.0000219500000000 ] - [ 0.0001045200000000, 0.0000623400000000, 0.0002021300000000 ] - [ 0.0001003200000000, -0.0000380600000000, 0.0000793800000000 ] - [ 0.0003798300000000, -0.0008473600000000, -0.0012068700000000 ] - [ 0.0000211100000000, 0.0000819800000000, 0.0001354200000000 ] - [ 0.0000234800000000, 0.0002851600000000, -0.0000576400000000 ] - [ -0.0000108200000000, 0.0000003300000000, -0.0000495700000000 ]- atom: 1 displacement: [ -0.0000185648863736, 0.0000000000000000, 0.0099999827672348 ] forces: - [ 0.0029351700000000, -0.0014016600000000, -0.0356683300000000 ] - [ -0.0002838000000000, -0.0005453300000000, -0.0017932100000000 ] - [ 0.0001782200000000, 0.0003067000000000, -0.0003440200000000 ] - [ -0.0000403200000000, 0.0000745200000000, 0.0002560000000000 ] - [ -0.0000096900000000, -0.0002270500000000, -0.0009150200000000 ] - [ -0.0002110800000000, 0.0002213200000000, 0.0007135000000000 ] - [ -0.0000191900000000, -0.0001844700000000, 0.0009746200000000 ] - [ 0.0003249200000000, -0.0003244000000000, 0.0005272000000000 ] - [ 0.0000556900000000, 0.0001780100000000, 0.0005143700000000 ] - [ 0.0001001000000000, 0.0000955700000000, 0.0005900300000000 ] - [ -0.0000042800000000, 0.0001708300000000, 0.0002084600000000 ] - [ -0.0000125100000000, 0.0000964400000000, 0.0002650200000000 ] - [ -0.0001553200000000, 0.0002728300000000, 0.0003088500000000 ] - [ 0.0001628300000000, 0.0039741400000000, 0.0006849600000000 ] - [ 0.0000861700000000, 0.0001999000000000, 0.0001613100000000 ] - [ -0.0006009900000000, -0.0005031800000000, -0.0021855000000000 ] - [ 0.0000443200000000, 0.0003873200000000, -0.0003321300000000 ] - [ 0.0000175400000000, 0.0000875300000000, 0.0003521100000000 ] - [ -0.0001634200000000, -0.0002196200000000, 0.0004650400000000 ] - [ 0.0000972900000000, 0.0005978500000000, 0.0003289800000000 ] - [ 0.0000212100000000, 0.0000733100000000, 0.0004787600000000 ] - [ -0.0000106700000000, -0.0003381100000000, 0.0003776000000000 ] - [ -0.0000200200000000, -0.0002667200000000, 0.0003153500000000 ] - [ -0.0000123000000000, 0.0001092900000000, 0.0001898300000000 ] - [ -0.0003021600000000, 0.0029973900000000, 0.0022797200000000 ] - [ -0.0000299500000000, -0.0003361000000000, 0.0002487400000000 ] - [ 0.0000613500000000, -0.0004707000000000, -0.0000545200000000 ] - [ -0.0000681000000000, -0.0004715900000000, -0.0000317500000000 ] - [ 0.0000673500000000, 0.0002684100000000, 0.0004753900000000 ] - [ -0.0000000900000000, -0.0026131400000000, 0.0013365400000000 ] - [ -0.0000662400000000, 0.0003057400000000, 0.0003392100000000 ] - [ 0.0000376700000000, -0.0001869300000000, 0.0005070100000000 ] - [ 0.0000360000000000, 0.0010220300000000, 0.0024165400000000 ] - [ 0.0010606400000000, 0.0008086900000000, -0.0017935600000000 ] - [ 0.0005518300000000, -0.0007047100000000, -0.0016800500000000 ] - [ -0.0000667500000000, 0.0000167300000000, 0.0004400100000000 ] - [ 0.0001618100000000, -0.0000767200000000, 0.0001852800000000 ] - [ -0.0000669500000000, -0.0004606200000000, -0.0004922100000000 ] - [ 0.0000579200000000, -0.0003380900000000, 0.0003378700000000 ] - [ 0.0001184200000000, -0.0003976700000000, -0.0001923300000000 ] - [ 0.0000010600000000, -0.0000168000000000, 0.0001884100000000 ] - [ -0.0000370200000000, 0.0007167800000000, -0.0003564300000000 ] - [ 0.0000393600000000, 0.0000283000000000, 0.0003344500000000 ] - [ -0.0000308400000000, -0.0000140000000000, 0.0002988500000000 ] - [ -0.0000034400000000, -0.0059995800000000, 0.0018760300000000 ] - [ -0.0011509500000000, 0.0009938400000000, -0.0021808700000000 ] - [ 0.0000309400000000, 0.0003040200000000, 0.0002694400000000 ] - [ -0.0001103100000000, -0.0000222300000000, 0.0004563000000000 ] - [ -0.0042371900000000, -0.0006248700000000, 0.0081333500000000 ] - [ 0.0008180000000000, 0.0005988200000000, 0.0000787900000000 ] - [ -0.0006175200000000, -0.0003550700000000, 0.0018456700000000 ] - [ -0.0000288300000000, 0.0000558700000000, 0.0012174100000000 ] - [ 0.0001824800000000, 0.0004279000000000, 0.0006818500000000 ] - [ 0.0002359900000000, 0.0000293600000000, 0.0011812000000000 ] - [ 0.0064548400000000, 0.0003695200000000, 0.0060183500000000 ] - [ -0.0002279100000000, 0.0001643600000000, -0.0004574300000000 ] - [ -0.0000952700000000, 0.0003998400000000, 0.0008037700000000 ] - [ 0.0004434600000000, -0.0002212500000000, 0.0017592600000000 ] - [ -0.0000498100000000, 0.0000114600000000, -0.0007857400000000 ] - [ 0.0037158600000000, -0.0005883200000000, 0.0075800100000000 ] - [ -0.0000054500000000, -0.0000529900000000, 0.0018556400000000 ] - [ 0.0001007900000000, -0.0000767200000000, 0.0017845700000000 ] - [ -0.0088213700000000, 0.0006626000000000, 0.0072981600000000 ] - [ 0.0003239000000000, -0.0001355700000000, -0.0007490200000000 ] - [ 0.0000834700000000, 0.0008368900000000, -0.0008567000000000 ] - [ 0.0003553400000000, 0.0000872100000000, -0.0017707000000000 ] - [ 0.0005164700000000, 0.0014877200000000, 0.0028638500000000 ] - [ -0.0002770700000000, -0.0004144600000000, -0.0009144200000000 ] - [ -0.0000922900000000, 0.0000712500000000, -0.0000945200000000 ] - [ 0.0000972000000000, -0.0006962500000000, -0.0003705800000000 ] - [ -0.0002256300000000, -0.0008560000000000, 0.0035044000000000 ] - [ 0.0000194700000000, -0.0000582500000000, 0.0000897800000000 ] - [ 0.0001256100000000, -0.0001736900000000, 0.0000815500000000 ] - [ 0.0018951700000000, -0.0006165100000000, -0.0009488800000000 ] - [ 0.0000175100000000, -0.0007544200000000, -0.0006439300000000 ] - [ 0.0000042300000000, -0.0000362900000000, 0.0012016300000000 ] - [ 0.0003836700000000, -0.0010670500000000, 0.0032238000000000 ] - [ 0.0000920600000000, -0.0001283200000000, -0.0000946500000000 ] - [ 0.0000282800000000, 0.0005353900000000, 0.0010919900000000 ] - [ -0.0000394400000000, 0.0008129600000000, -0.0003062000000000 ] - [ -0.0003180000000000, 0.0002155700000000, 0.0003133800000000 ] - [ 0.0001938100000000, 0.0007503900000000, -0.0005224200000000 ] - [ 0.0000298300000000, -0.0005054100000000, -0.0003289200000000 ] - [ -0.0001463700000000, -0.0000200000000000, 0.0006104000000000 ] - [ 0.0008694600000000, -0.0001638300000000, -0.0033575500000000 ] - [ 0.0001555600000000, 0.0001167900000000, -0.0005198900000000 ] - [ 0.0000024300000000, -0.0003005100000000, -0.0007419600000000 ] - [ 0.0002923400000000, -0.0001693700000000, 0.0012770500000000 ] - [ -0.0001573700000000, 0.0007763300000000, -0.0004802700000000 ] - [ 0.0000994300000000, 0.0007269000000000, -0.0001385800000000 ] - [ -0.0002335600000000, 0.0003610900000000, -0.0027192900000000 ] - [ -0.0003696700000000, -0.0007094500000000, -0.0008198400000000 ] - [ -0.0002401500000000, -0.0012111000000000, 0.0020848500000000 ] - [ -0.0016435000000000, -0.0008006500000000, -0.0009782800000000 ] - [ -0.0006052100000000, -0.0001124600000000, 0.0002311700000000 ] - [ -0.0001434400000000, -0.0007645700000000, 0.0011496600000000 ] - [ 0.0005229800000000, 0.0001065500000000, -0.0025562300000000 ] - [ -0.0006694200000000, -0.0003788700000000, -0.0032672500000000 ] - [ -0.0004361600000000, 0.0001801100000000, -0.0015584900000000 ] - [ -0.0001577000000000, 0.0007766800000000, -0.0008492900000000 ] - [ 0.0002125600000000, -0.0003420800000000, 0.0016303000000000 ] - [ 0.0001108700000000, -0.0000721700000000, -0.0006201600000000 ] - [ 0.0000309300000000, 0.0002358900000000, -0.0006158000000000 ] - [ -0.0010807500000000, 0.0008843900000000, -0.0004879300000000 ] - [ -0.0021202900000000, 0.0025758100000000, 0.0012114800000000 ] - [ 0.0002509000000000, -0.0009932600000000, -0.0009767500000000 ] - [ -0.0000048200000000, 0.0001488800000000, -0.0001859100000000 ] - [ 0.0002085400000000, 0.0003492100000000, -0.0005921300000000 ] - [ 0.0012146600000000, 0.0008357000000000, -0.0004659200000000 ] - [ -0.0000752400000000, 0.0004946400000000, -0.0005162400000000 ] - [ 0.0003466300000000, -0.0002820800000000, -0.0009108800000000 ] - [ -0.0000866900000000, -0.0005922900000000, -0.0002823700000000 ]- atom: 1 displacement: [ 0.0000185648863736, 0.0000000000000000, -0.0099999827672348 ] forces: - [ -0.0036924300000000, 0.0015335900000000, 0.0364616400000000 ] - [ -0.0002323000000000, -0.0000476700000000, 0.0016443100000000 ] - [ 0.0003506100000000, 0.0002889100000000, 0.0004739600000000 ] - [ 0.0000244400000000, 0.0001787800000000, -0.0006949900000000 ] - [ -0.0000057800000000, -0.0000236900000000, 0.0004717700000000 ] - [ -0.0003038600000000, 0.0003771800000000, -0.0008427600000000 ] - [ 0.0000477400000000, -0.0000655900000000, -0.0005357200000000 ] - [ 0.0002032000000000, -0.0002700700000000, -0.0003957600000000 ] - [ -0.0000112200000000, 0.0000475200000000, -0.0005022700000000 ] - [ 0.0000248700000000, 0.0001886500000000, -0.0003991800000000 ] - [ 0.0000065800000000, 0.0003948900000000, -0.0002862200000000 ] - [ 0.0000194200000000, -0.0001282600000000, -0.0002921400000000 ] - [ -0.0000921100000000, -0.0002126800000000, -0.0001860400000000 ] - [ 0.0000178800000000, -0.0041854000000000, -0.0005102600000000 ] - [ 0.0000416700000000, -0.0000286500000000, -0.0003258700000000 ] - [ 0.0004475400000000, 0.0007111900000000, 0.0020024100000000 ] - [ 0.0000826600000000, -0.0005506200000000, 0.0001624700000000 ] - [ -0.0000481200000000, -0.0003073000000000, -0.0003654200000000 ] - [ 0.0000533000000000, 0.0003914400000000, -0.0003021100000000 ] - [ -0.0000884800000000, -0.0000307600000000, -0.0002548400000000 ] - [ 0.0000075900000000, 0.0002523100000000, -0.0000146300000000 ] - [ -0.0001031500000000, 0.0001686700000000, -0.0002152300000000 ] - [ 0.0000261000000000, 0.0003007100000000, -0.0002915900000000 ] - [ -0.0000138000000000, 0.0002592600000000, -0.0001813300000000 ] - [ 0.0003049400000000, -0.0029187200000000, -0.0022847400000000 ] - [ -0.0000811100000000, 0.0000521700000000, -0.0004403000000000 ] - [ -0.0000876100000000, 0.0001035500000000, 0.0000605400000000 ] - [ 0.0000975600000000, 0.0001446100000000, 0.0004924700000000 ] - [ 0.0001137900000000, -0.0000704800000000, -0.0003098800000000 ] - [ 0.0000029800000000, 0.0020182100000000, -0.0014015900000000 ] - [ -0.0001816300000000, -0.0003583500000000, -0.0002160600000000 ] - [ 0.0000650000000000, 0.0000991500000000, -0.0003146700000000 ] - [ -0.0000537000000000, -0.0007081200000000, -0.0029199700000000 ] - [ -0.0009423700000000, -0.0011032600000000, 0.0019697700000000 ] - [ -0.0005150600000000, 0.0004933500000000, 0.0016748800000000 ] - [ -0.0000231900000000, 0.0000709100000000, -0.0006298300000000 ] - [ 0.0001002000000000, 0.0001346600000000, -0.0003100400000000 ] - [ -0.0000452300000000, 0.0007452200000000, 0.0002909300000000 ] - [ -0.0000545200000000, 0.0003042600000000, -0.0003139600000000 ] - [ 0.0001438200000000, 0.0003385100000000, 0.0000638200000000 ] - [ -0.0000167400000000, -0.0003074700000000, -0.0006556100000000 ] - [ 0.0000079400000000, -0.0004925200000000, 0.0003396900000000 ] - [ 0.0000004800000000, -0.0003925700000000, -0.0003452400000000 ] - [ 0.0000410800000000, -0.0005469800000000, -0.0002247800000000 ] - [ 0.0001077500000000, 0.0061359900000000, -0.0016804600000000 ] - [ 0.0010779400000000, -0.0010942800000000, 0.0019662600000000 ] - [ 0.0000092700000000, 0.0000650700000000, -0.0002799700000000 ] - [ -0.0000578000000000, -0.0001710200000000, -0.0006234900000000 ] - [ 0.0046128600000000, 0.0003797100000000, -0.0077424700000000 ] - [ -0.0002485500000000, -0.0008328800000000, 0.0002516400000000 ] - [ 0.0000503900000000, 0.0001244900000000, -0.0021826800000000 ] - [ -0.0001029100000000, 0.0001465500000000, -0.0007402600000000 ] - [ 0.0000089600000000, -0.0000027800000000, -0.0009463600000000 ] - [ 0.0003422300000000, 0.0002085900000000, -0.0008349500000000 ] - [ -0.0071393100000000, -0.0001431100000000, -0.0064146800000000 ] - [ -0.0002099700000000, -0.0003923700000000, 0.0001781500000000 ] - [ -0.0003477400000000, -0.0001645400000000, -0.0010702500000000 ] - [ -0.0002940800000000, 0.0000228300000000, -0.0022234500000000 ] - [ 0.0002435900000000, -0.0004294400000000, 0.0005082700000000 ] - [ -0.0038320400000000, 0.0001594700000000, -0.0071989300000000 ] - [ -0.0001746500000000, 0.0004734200000000, -0.0015859900000000 ] - [ 0.0003483900000000, 0.0003107500000000, -0.0015094800000000 ] - [ 0.0090950000000000, -0.0004571700000000, -0.0078194600000000 ] - [ -0.0004607200000000, -0.0000677100000000, 0.0012102600000000 ] - [ -0.0002753300000000, -0.0007741500000000, 0.0007780000000000 ] - [ -0.0004756000000000, 0.0001188800000000, 0.0015635400000000 ] - [ -0.0006222800000000, -0.0015234500000000, -0.0030077000000000 ] - [ 0.0002794200000000, 0.0006205100000000, 0.0007433800000000 ] - [ 0.0000528300000000, -0.0005845600000000, 0.0002734600000000 ] - [ -0.0000070500000000, 0.0004523200000000, 0.0001019800000000 ] - [ -0.0000899600000000, 0.0008417100000000, -0.0034665400000000 ] - [ -0.0001226600000000, 0.0002570200000000, 0.0003714200000000 ] - [ -0.0002736900000000, -0.0002647300000000, 0.0004371800000000 ] - [ -0.0018754200000000, 0.0004039700000000, 0.0007868400000000 ] - [ 0.0000715000000000, 0.0009937700000000, 0.0003754300000000 ] - [ 0.0001570900000000, -0.0004010800000000, -0.0015532900000000 ] - [ -0.0002564300000000, 0.0015595500000000, -0.0033771100000000 ] - [ -0.0001942200000000, -0.0000669200000000, 0.0005446300000000 ] - [ 0.0001752800000000, -0.0004708900000000, -0.0010162900000000 ] - [ 0.0000479200000000, -0.0006042300000000, 0.0004666400000000 ] - [ 0.0001740600000000, 0.0002266800000000, 0.0002058200000000 ] - [ -0.0001295600000000, -0.0006477000000000, 0.0007149600000000 ] - [ -0.0000799600000000, 0.0005988200000000, 0.0001228100000000 ] - [ 0.0000193200000000, -0.0001832800000000, -0.0007906200000000 ] - [ -0.0007310300000000, -0.0000389900000000, 0.0035259100000000 ] - [ -0.0000401700000000, 0.0000814300000000, 0.0000608000000000 ] - [ 0.0002330000000000, 0.0003229500000000, 0.0005912200000000 ] - [ -0.0004119800000000, -0.0002692700000000, -0.0013391200000000 ] - [ 0.0000819700000000, -0.0005333400000000, 0.0007396400000000 ] - [ -0.0001357900000000, -0.0002012700000000, 0.0003131200000000 ] - [ 0.0003578400000000, 0.0000798700000000, 0.0027728200000000 ] - [ 0.0001429000000000, 0.0006790300000000, 0.0009544800000000 ] - [ 0.0002474800000000, 0.0010639300000000, -0.0018793200000000 ] - [ 0.0016750400000000, 0.0002733100000000, 0.0007949200000000 ] - [ 0.0007305400000000, -0.0000817000000000, -0.0006885700000000 ] - [ 0.0001083300000000, 0.0002341400000000, -0.0010526600000000 ] - [ -0.0003772000000000, 0.0001006500000000, 0.0027278400000000 ] - [ 0.0008051300000000, -0.0000587700000000, 0.0033139600000000 ] - [ 0.0003093100000000, 0.0002600400000000, 0.0014717300000000 ] - [ 0.0001632600000000, -0.0009312500000000, 0.0006489300000000 ] - [ 0.0000257000000000, 0.0003059600000000, -0.0017680400000000 ] - [ -0.0001441100000000, 0.0006024900000000, 0.0007068700000000 ] - [ 0.0001338200000000, 0.0002055900000000, 0.0000901700000000 ] - [ 0.0011338400000000, -0.0009680600000000, 0.0006834700000000 ] - [ 0.0020929200000000, -0.0024094000000000, -0.0014669100000000 ] - [ -0.0002013900000000, 0.0004570600000000, 0.0008735100000000 ] - [ 0.0000159500000000, -0.0003498100000000, 0.0003479200000000 ] - [ -0.0000027400000000, -0.0004014400000000, 0.0006569200000000 ] - [ -0.0012785700000000, -0.0010581100000000, 0.0007301200000000 ] - [ 0.0000832100000000, -0.0003309400000000, 0.0007042700000000 ] - [ -0.0002956400000000, 0.0008016600000000, 0.0007237600000000 ] - [ 0.0000355900000000, 0.0004919500000000, 0.0000803100000000 ]- atom: 2 displacement: [ 0.0099999995909515, 0.0000000000000000, -0.0000028602394792 ] forces: - [ 0.0027209600000000, 0.0001107900000000, 0.0001797200000000 ] - [ -0.0295760900000000, -0.0014710800000000, 0.0001086800000000 ] - [ 0.0002515200000000, 0.0003307400000000, 0.0000955700000000 ] - [ -0.0000057900000000, 0.0001195200000000, -0.0001698100000000 ] - [ 0.0000348400000000, -0.0001131700000000, -0.0003180400000000 ] - [ -0.0003607900000000, 0.0002910100000000, -0.0000301900000000 ] - [ 0.0001689300000000, -0.0001234000000000, 0.0002490100000000 ] - [ 0.0002680300000000, -0.0002876800000000, 0.0000656100000000 ] - [ 0.0000283000000000, 0.0000782300000000, 0.0000210500000000 ] - [ 0.0000744400000000, 0.0001939000000000, 0.0000902400000000 ] - [ 0.0000640300000000, 0.0002778000000000, -0.0000283500000000 ] - [ 0.0000487600000000, -0.0000067300000000, -0.0000046500000000 ] - [ -0.0001147300000000, 0.0001534100000000, 0.0001562400000000 ] - [ 0.0004267000000000, -0.0000408900000000, 0.0000837100000000 ] - [ 0.0000229900000000, 0.0000978100000000, -0.0000755600000000 ] - [ 0.0040037100000000, -0.0048772500000000, -0.0016694900000000 ] - [ -0.0017231800000000, 0.0002990200000000, 0.0001318700000000 ] - [ -0.0000871300000000, -0.0001033000000000, 0.0000108100000000 ] - [ -0.0000462400000000, -0.0000617300000000, 0.0001896500000000 ] - [ -0.0000041900000000, 0.0001857900000000, -0.0000598700000000 ] - [ 0.0000255200000000, 0.0001938900000000, 0.0002334400000000 ] - [ -0.0000443100000000, 0.0001474000000000, -0.0002311700000000 ] - [ 0.0000617200000000, -0.0002152100000000, 0.0003356700000000 ] - [ -0.0000019400000000, 0.0001579900000000, 0.0000115400000000 ] - [ 0.0006942800000000, 0.0000946700000000, -0.0000203900000000 ] - [ -0.0001516600000000, -0.0001344000000000, -0.0000759100000000 ] - [ -0.0000212200000000, 0.0001863800000000, -0.0001052300000000 ] - [ 0.0001132400000000, -0.0006518700000000, 0.0001969500000000 ] - [ 0.0001869500000000, 0.0001055800000000, 0.0001029100000000 ] - [ 0.0008016800000000, -0.0002791900000000, -0.0000920300000000 ] - [ -0.0000318800000000, -0.0003025000000000, -0.0002370200000000 ] - [ 0.0001858700000000, -0.0000282700000000, 0.0001090500000000 ] - [ 0.0003191300000000, 0.0001834100000000, -0.0002277800000000 ] - [ 0.0015645300000000, -0.0032815400000000, 0.0005347600000000 ] - [ 0.0031067700000000, 0.0048978200000000, 0.0007694900000000 ] - [ -0.0000386300000000, 0.0000090500000000, -0.0000375800000000 ] - [ 0.0000631200000000, 0.0000270500000000, -0.0000556600000000 ] - [ -0.0006609200000000, 0.0001173900000000, -0.0001508500000000 ] - [ 0.0000313100000000, 0.0000933700000000, -0.0000795100000000 ] - [ -0.0016878300000000, -0.0002092400000000, 0.0001448300000000 ] - [ 0.0002853500000000, -0.0001669300000000, -0.0002231200000000 ] - [ -0.0008227900000000, 0.0001115400000000, -0.0000997900000000 ] - [ -0.0008287600000000, -0.0001671500000000, 0.0000193200000000 ] - [ 0.0000502100000000, -0.0000420800000000, 0.0002850600000000 ] - [ 0.0003796600000000, -0.0000098900000000, 0.0000933200000000 ] - [ 0.0018951400000000, 0.0030857600000000, -0.0007805300000000 ] - [ -0.0001259000000000, 0.0001981800000000, 0.0000021200000000 ] - [ -0.0000864600000000, -0.0000600000000000, -0.0000424800000000 ] - [ 0.0102362700000000, 0.0006468800000000, 0.0096033300000000 ] - [ 0.0004889200000000, -0.0001672500000000, 0.0001202900000000 ] - [ -0.0009215300000000, -0.0002113600000000, 0.0012764900000000 ] - [ -0.0000528100000000, 0.0001010700000000, 0.0002833000000000 ] - [ 0.0000993100000000, 0.0002211600000000, -0.0001052300000000 ] - [ 0.0002900900000000, 0.0001189000000000, 0.0002117500000000 ] - [ -0.0012638500000000, 0.0000485300000000, -0.0040044100000000 ] - [ -0.0000524100000000, -0.0001477000000000, -0.0001180000000000 ] - [ -0.0002255700000000, 0.0001275400000000, -0.0001049000000000 ] - [ -0.0006570000000000, -0.0000217600000000, -0.0014639600000000 ] - [ -0.0000023800000000, -0.0001844100000000, 0.0001270800000000 ] - [ 0.0097300800000000, -0.0011077200000000, -0.0094764400000000 ] - [ 0.0002910200000000, 0.0000859900000000, 0.0009499700000000 ] - [ 0.0006812200000000, 0.0001762700000000, -0.0004415800000000 ] - [ -0.0004854900000000, 0.0000970400000000, 0.0057260600000000 ] - [ 0.0001542900000000, -0.0000931300000000, 0.0004111800000000 ] - [ -0.0001471500000000, -0.0002387800000000, 0.0001806500000000 ] - [ -0.0000345700000000, 0.0001139300000000, -0.0001930800000000 ] - [ -0.0007025900000000, -0.0002028000000000, -0.0019268500000000 ] - [ 0.0000758800000000, 0.0001680400000000, -0.0000047400000000 ] - [ 0.0002823000000000, -0.0004165000000000, 0.0000754600000000 ] - [ -0.0001388500000000, -0.0001014500000000, -0.0001522200000000 ] - [ -0.0007195000000000, -0.0004068000000000, 0.0016760800000000 ] - [ 0.0029595400000000, 0.0001761500000000, 0.0001794500000000 ] - [ -0.0000896900000000, -0.0000980200000000, 0.0001363400000000 ] - [ 0.0028130600000000, 0.0007862200000000, 0.0005282000000000 ] - [ -0.0000952100000000, 0.0000963300000000, -0.0001526300000000 ] - [ -0.0059778900000000, -0.0003004400000000, -0.0003742300000000 ] - [ -0.0006679100000000, 0.0006019900000000, -0.0020722500000000 ] - [ 0.0011472600000000, -0.0001281400000000, 0.0001589900000000 ] - [ 0.0010830900000000, -0.0001553600000000, 0.0002855000000000 ] - [ -0.0001173900000000, 0.0001609100000000, 0.0000483600000000 ] - [ -0.0000530500000000, 0.0002071400000000, 0.0002726100000000 ] - [ 0.0000919100000000, 0.0002924200000000, -0.0000427800000000 ] - [ 0.0001020200000000, 0.0000191800000000, -0.0001187700000000 ] - [ -0.0002532500000000, -0.0000871700000000, -0.0000000100000000 ] - [ 0.0006217100000000, -0.0003172000000000, -0.0026747800000000 ] - [ 0.0000659900000000, 0.0001163000000000, -0.0002537400000000 ] - [ 0.0000794200000000, 0.0000025200000000, -0.0001141400000000 ] - [ 0.0000188000000000, -0.0002404800000000, -0.0003787400000000 ] - [ -0.0000235300000000, 0.0000006600000000, 0.0002111700000000 ] - [ 0.0001141500000000, 0.0003255900000000, 0.0000505600000000 ] - [ -0.0002465100000000, 0.0002248500000000, -0.0015823900000000 ] - [ -0.0003136500000000, -0.0002453900000000, -0.0002148400000000 ] - [ -0.0005112400000000, -0.0000451800000000, 0.0002039900000000 ] - [ 0.0029370500000000, -0.0010127400000000, -0.0005935000000000 ] - [ 0.0000765500000000, -0.0002505500000000, -0.0003103400000000 ] - [ 0.0012801000000000, 0.0001691900000000, 0.0002502300000000 ] - [ -0.0000837200000000, 0.0001643800000000, 0.0011836100000000 ] - [ 0.0004122600000000, 0.0000701800000000, 0.0025111200000000 ] - [ -0.0000653200000000, 0.0002262600000000, -0.0001299900000000 ] - [ -0.0000776100000000, 0.0002964200000000, -0.0004074600000000 ] - [ -0.0004152600000000, 0.0001764900000000, 0.0000349300000000 ] - [ 0.0000410500000000, 0.0002597200000000, 0.0000021000000000 ] - [ -0.0005847900000000, 0.0002378800000000, -0.0002938600000000 ] - [ -0.0008666300000000, -0.0021414000000000, 0.0028567600000000 ] - [ -0.0004012400000000, 0.0003506600000000, 0.0013965200000000 ] - [ -0.0001099400000000, -0.0000904900000000, 0.0001177900000000 ] - [ -0.0002186700000000, -0.0001668600000000, 0.0000687000000000 ] - [ 0.0001689100000000, -0.0000021500000000, -0.0000012300000000 ] - [ -0.0016202300000000, 0.0023177600000000, -0.0024977700000000 ] - [ -0.0000464200000000, 0.0001089400000000, 0.0000587500000000 ] - [ 0.0001645500000000, 0.0001216500000000, -0.0002689100000000 ] - [ 0.0002787900000000, 0.0000521700000000, -0.0001292100000000 ]- atom: 2 displacement: [ -0.0099999995909515, 0.0000000000000000, 0.0000028602394792 ] forces: - [ -0.0026920900000000, 0.0001363400000000, 0.0002448900000000 ] - [ 0.0279576800000000, 0.0014053300000000, -0.0001503200000000 ] - [ 0.0002795200000000, 0.0002532500000000, 0.0000231300000000 ] - [ -0.0000054500000000, 0.0001302300000000, -0.0002680900000000 ] - [ -0.0000497900000000, -0.0001462900000000, -0.0001251900000000 ] - [ -0.0001482500000000, 0.0002798100000000, -0.0000885900000000 ] - [ -0.0001387800000000, -0.0001387300000000, 0.0001794000000000 ] - [ 0.0002604600000000, -0.0003052100000000, 0.0000501600000000 ] - [ 0.0000086200000000, 0.0001515000000000, -0.0000008500000000 ] - [ 0.0000467600000000, 0.0000740700000000, 0.0000964800000000 ] - [ -0.0000571800000000, 0.0002792800000000, -0.0000450400000000 ] - [ -0.0000446300000000, -0.0000384300000000, -0.0000207700000000 ] - [ -0.0001341500000000, -0.0001098400000000, -0.0000459400000000 ] - [ -0.0002444600000000, -0.0001517400000000, 0.0000775200000000 ] - [ 0.0001067100000000, 0.0000521200000000, -0.0000866600000000 ] - [ -0.0041451200000000, 0.0050008200000000, 0.0014735100000000 ] - [ 0.0018458800000000, -0.0004966900000000, -0.0003235600000000 ] - [ 0.0000592000000000, -0.0001187100000000, -0.0000485500000000 ] - [ -0.0000641400000000, 0.0002161800000000, -0.0000290900000000 ] - [ 0.0000158800000000, 0.0003715400000000, 0.0001265200000000 ] - [ 0.0000060100000000, 0.0001404600000000, 0.0002337400000000 ] - [ -0.0000669900000000, -0.0003152900000000, 0.0003878000000000 ] - [ -0.0000461600000000, 0.0002470500000000, -0.0003191100000000 ] - [ -0.0000222200000000, 0.0002158800000000, -0.0000054100000000 ] - [ -0.0006883000000000, -0.0000605800000000, -0.0000040600000000 ] - [ 0.0000449700000000, -0.0001558600000000, -0.0001225600000000 ] - [ -0.0000024600000000, -0.0005696400000000, 0.0001095300000000 ] - [ -0.0000838500000000, 0.0003064200000000, 0.0002681700000000 ] - [ -0.0000052500000000, 0.0000813000000000, 0.0000611300000000 ] - [ -0.0007933400000000, -0.0002891400000000, 0.0000193800000000 ] - [ -0.0002176200000000, 0.0002473500000000, 0.0003439800000000 ] - [ -0.0000817100000000, -0.0000523300000000, 0.0000700400000000 ] - [ -0.0003300300000000, 0.0001504400000000, -0.0002450000000000 ] - [ -0.0014225300000000, 0.0030026200000000, -0.0003519900000000 ] - [ -0.0030578500000000, -0.0051643600000000, -0.0007643600000000 ] - [ -0.0000414000000000, 0.0000523000000000, -0.0001487700000000 ] - [ 0.0002046300000000, 0.0000238600000000, -0.0000514300000000 ] - [ 0.0005529000000000, 0.0001392300000000, -0.0000281200000000 ] - [ -0.0000164800000000, -0.0001381900000000, 0.0000988100000000 ] - [ 0.0019505100000000, 0.0001817800000000, -0.0002954200000000 ] - [ -0.0002971700000000, -0.0001772800000000, -0.0002539300000000 ] - [ 0.0007936400000000, 0.0001306200000000, 0.0001074000000000 ] - [ 0.0008694200000000, -0.0002192000000000, -0.0000427600000000 ] - [ -0.0000375200000000, -0.0005245300000000, -0.0002212700000000 ] - [ -0.0002751000000000, 0.0000758700000000, 0.0000822600000000 ] - [ -0.0019877900000000, -0.0031449100000000, 0.0005834500000000 ] - [ 0.0001687300000000, 0.0001752800000000, -0.0000095700000000 ] - [ -0.0000684600000000, -0.0001267000000000, -0.0001309500000000 ] - [ -0.0096677300000000, -0.0008617500000000, -0.0091712700000000 ] - [ 0.0000978900000000, -0.0000617200000000, 0.0002205900000000 ] - [ 0.0003691500000000, -0.0000229500000000, -0.0016140600000000 ] - [ -0.0000741200000000, 0.0000890600000000, 0.0001918000000000 ] - [ 0.0000888300000000, 0.0001880000000000, -0.0001597900000000 ] - [ 0.0002847700000000, 0.0001019500000000, 0.0001264200000000 ] - [ 0.0006708900000000, 0.0001676700000000, 0.0036441500000000 ] - [ -0.0003760100000000, -0.0000903100000000, -0.0001464000000000 ] - [ -0.0002049200000000, 0.0000999500000000, -0.0001621000000000 ] - [ 0.0007953200000000, -0.0001792700000000, 0.0009818500000000 ] - [ 0.0001906300000000, -0.0002330800000000, -0.0003992800000000 ] - [ -0.0099989700000000, 0.0007136900000000, 0.0098883100000000 ] - [ -0.0004505100000000, 0.0003261200000000, -0.0006904000000000 ] - [ -0.0002395600000000, 0.0000548300000000, 0.0006993200000000 ] - [ 0.0006571600000000, 0.0000865500000000, -0.0062145400000000 ] - [ -0.0002629300000000, -0.0000975000000000, 0.0000478800000000 ] - [ -0.0000529900000000, 0.0002890000000000, -0.0002691900000000 ] - [ -0.0000872600000000, 0.0000937500000000, -0.0000053300000000 ] - [ 0.0004895600000000, 0.0001433200000000, 0.0018376300000000 ] - [ -0.0000836200000000, 0.0000408300000000, -0.0001677500000000 ] - [ -0.0003113300000000, -0.0001177100000000, 0.0000822300000000 ] - [ 0.0002326800000000, -0.0001201700000000, -0.0001343000000000 ] - [ 0.0005047500000000, 0.0004336400000000, -0.0015409400000000 ] - [ -0.0030510800000000, 0.0000222800000000, 0.0002154100000000 ] - [ -0.0000530900000000, -0.0003553600000000, 0.0003724100000000 ] - [ -0.0026408500000000, -0.0009453100000000, -0.0005650600000000 ] - [ 0.0001895400000000, 0.0001146100000000, -0.0001343300000000 ] - [ 0.0061313500000000, -0.0001571200000000, -0.0001506400000000 ] - [ 0.0007022200000000, -0.0000698900000000, 0.0019466300000000 ] - [ -0.0012449600000000, -0.0000756500000000, 0.0003031000000000 ] - [ -0.0008601200000000, 0.0002208300000000, -0.0002036500000000 ] - [ 0.0001236400000000, 0.0000443400000000, 0.0000988800000000 ] - [ -0.0000894000000000, 0.0002352300000000, 0.0002371700000000 ] - [ -0.0000149800000000, -0.0002151600000000, 0.0002477200000000 ] - [ -0.0001552300000000, 0.0000577300000000, -0.0001030900000000 ] - [ 0.0001302800000000, -0.0001323500000000, -0.0001976000000000 ] - [ -0.0004826000000000, 0.0000951300000000, 0.0028445800000000 ] - [ 0.0000520500000000, 0.0000765700000000, -0.0002044400000000 ] - [ 0.0001607900000000, 0.0000293900000000, -0.0000241100000000 ] - [ -0.0001319500000000, -0.0002108600000000, 0.0003206500000000 ] - [ -0.0000579200000000, 0.0002106500000000, 0.0000624400000000 ] - [ -0.0001425400000000, 0.0002010900000000, 0.0001061400000000 ] - [ 0.0003798100000000, 0.0002162100000000, 0.0016355100000000 ] - [ 0.0000925400000000, 0.0002008600000000, 0.0003390000000000 ] - [ 0.0005076900000000, -0.0001341800000000, -0.0000049200000000 ] - [ -0.0030190000000000, 0.0005300200000000, 0.0005657900000000 ] - [ 0.0000195000000000, 0.0000473300000000, -0.0001476900000000 ] - [ -0.0013093800000000, -0.0007565300000000, -0.0001387500000000 ] - [ 0.0002298600000000, 0.0000448300000000, -0.0010006300000000 ] - [ -0.0002685800000000, -0.0005248500000000, -0.0024519500000000 ] - [ -0.0000549900000000, 0.0002143500000000, 0.0000563200000000 ] - [ 0.0000984800000000, -0.0004657400000000, 0.0001963600000000 ] - [ 0.0006529200000000, -0.0002128600000000, -0.0001695400000000 ] - [ -0.0000755700000000, 0.0002650900000000, 0.0000962500000000 ] - [ 0.0007461100000000, 0.0002040100000000, -0.0002251900000000 ] - [ 0.0008866300000000, 0.0020584100000000, -0.0026190600000000 ] - [ 0.0004284000000000, -0.0001842000000000, -0.0015935500000000 ] - [ 0.0001638600000000, -0.0004518600000000, -0.0002261000000000 ] - [ 0.0002240900000000, -0.0000499600000000, 0.0000777200000000 ] - [ 0.0000495700000000, -0.0000605500000000, 0.0000774200000000 ] - [ 0.0015933400000000, -0.0025225800000000, 0.0027774700000000 ] - [ 0.0000448200000000, 0.0000529100000000, 0.0001374500000000 ] - [ -0.0000996500000000, 0.0004089400000000, 0.0000825100000000 ] - [ -0.0003324900000000, -0.0001469700000000, -0.0000914100000000 ]- atom: 2 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000193500000000, -0.0003302700000000, -0.0000282100000000 ] - [ -0.0015409500000000, -0.0230900500000000, -0.0075261800000000 ] - [ 0.0002958600000000, 0.0004743500000000, 0.0001185300000000 ] - [ -0.0000046700000000, 0.0001049800000000, -0.0001790700000000 ] - [ -0.0000298400000000, 0.0001114200000000, -0.0002085100000000 ] - [ -0.0002473100000000, 0.0002967900000000, 0.0000267700000000 ] - [ 0.0000117800000000, -0.0001296900000000, 0.0003079900000000 ] - [ 0.0002671300000000, -0.0003118600000000, 0.0001040000000000 ] - [ 0.0000290900000000, 0.0001120700000000, 0.0000662300000000 ] - [ 0.0000692000000000, 0.0001118100000000, 0.0001604900000000 ] - [ 0.0000067300000000, 0.0002640100000000, -0.0000113000000000 ] - [ 0.0000094800000000, -0.0000177400000000, 0.0000301900000000 ] - [ -0.0001238000000000, 0.0000391800000000, 0.0001374800000000 ] - [ 0.0001189100000000, -0.0000141700000000, 0.0001210300000000 ] - [ 0.0000705500000000, 0.0000745800000000, -0.0000394600000000 ] - [ -0.0048949700000000, 0.0030258200000000, 0.0009335800000000 ] - [ 0.0004581600000000, 0.0050520000000000, 0.0037326500000000 ] - [ -0.0000055900000000, -0.0000799200000000, 0.0000374800000000 ] - [ -0.0000386300000000, 0.0000868700000000, 0.0000552200000000 ] - [ 0.0000074100000000, 0.0003066200000000, 0.0001242900000000 ] - [ 0.0000186700000000, 0.0001464900000000, 0.0002685800000000 ] - [ 0.0000069900000000, -0.0001285500000000, 0.0000380000000000 ] - [ -0.0000519600000000, -0.0000361200000000, -0.0000306400000000 ] - [ -0.0000065000000000, 0.0001721400000000, 0.0000313600000000 ] - [ 0.0000451200000000, 0.0001447800000000, 0.0000949900000000 ] - [ -0.0000481600000000, -0.0001904400000000, -0.0000746200000000 ] - [ 0.0000872000000000, -0.0000854700000000, -0.0000848300000000 ] - [ -0.0002051600000000, 0.0001294400000000, 0.0000353500000000 ] - [ 0.0000914700000000, 0.0001188600000000, 0.0001155500000000 ] - [ 0.0000181900000000, -0.0003076500000000, -0.0001999000000000 ] - [ -0.0002171500000000, 0.0000668100000000, 0.0001687000000000 ] - [ 0.0000530600000000, -0.0000878500000000, 0.0001417600000000 ] - [ 0.0000081000000000, 0.0001007900000000, -0.0001515200000000 ] - [ -0.0026186700000000, 0.0025153500000000, -0.0004216100000000 ] - [ 0.0046348700000000, 0.0036257100000000, 0.0005559900000000 ] - [ -0.0000413700000000, 0.0000206400000000, -0.0000313400000000 ] - [ 0.0001388100000000, 0.0000093000000000, -0.0000236200000000 ] - [ -0.0000446100000000, 0.0010656000000000, -0.0016624100000000 ] - [ -0.0000073900000000, -0.0000049600000000, -0.0000114900000000 ] - [ -0.0000440900000000, 0.0026405800000000, -0.0044583100000000 ] - [ -0.0000077400000000, -0.0001111500000000, -0.0002071300000000 ] - [ -0.0000531300000000, 0.0014081500000000, 0.0023284400000000 ] - [ 0.0000222600000000, -0.0003496600000000, 0.0007610600000000 ] - [ 0.0000630300000000, -0.0002184400000000, 0.0000992200000000 ] - [ 0.0000497200000000, 0.0000723400000000, 0.0000428300000000 ] - [ 0.0027330700000000, 0.0022357300000000, -0.0007056400000000 ] - [ 0.0000264000000000, 0.0001997400000000, 0.0000698400000000 ] - [ -0.0000821200000000, -0.0000952800000000, -0.0000208500000000 ] - [ 0.0008098000000000, -0.0035060700000000, 0.0011785400000000 ] - [ 0.0003744400000000, 0.0004122000000000, 0.0000664000000000 ] - [ -0.0003335600000000, -0.0002712400000000, 0.0001947000000000 ] - [ -0.0000612600000000, 0.0000759000000000, 0.0003625800000000 ] - [ 0.0001091400000000, 0.0003603400000000, -0.0000190600000000 ] - [ 0.0002941500000000, 0.0000802800000000, 0.0002870400000000 ] - [ -0.0004837000000000, -0.0017764700000000, -0.0003170300000000 ] - [ -0.0002230300000000, -0.0000995100000000, -0.0002574300000000 ] - [ -0.0002374100000000, 0.0001837500000000, -0.0000377800000000 ] - [ 0.0001303300000000, -0.0002527400000000, 0.0001392700000000 ] - [ -0.0000318000000000, 0.0003295400000000, -0.0003466300000000 ] - [ -0.0010742200000000, -0.0038105500000000, 0.0011830600000000 ] - [ -0.0000207000000000, 0.0001043700000000, 0.0002823100000000 ] - [ 0.0001830300000000, 0.0000498400000000, 0.0002682200000000 ] - [ 0.0002292100000000, -0.0025771200000000, -0.0000910900000000 ] - [ 0.0001526800000000, 0.0049066100000000, -0.0000470000000000 ] - [ -0.0000558900000000, 0.0002103100000000, -0.0001588000000000 ] - [ -0.0000136100000000, 0.0000910800000000, -0.0002709800000000 ] - [ 0.0003046900000000, 0.0010738100000000, 0.0015143800000000 ] - [ -0.0000042300000000, 0.0000794100000000, -0.0001272900000000 ] - [ 0.0000668600000000, -0.0005084300000000, 0.0001098300000000 ] - [ 0.0000583500000000, -0.0002203300000000, -0.0000997300000000 ] - [ 0.0002554600000000, 0.0006327200000000, -0.0009857000000000 ] - [ 0.0001451200000000, 0.0005117800000000, -0.0008291400000000 ] - [ -0.0000191600000000, -0.0002344500000000, 0.0002601800000000 ] - [ 0.0014936700000000, 0.0045859500000000, 0.0011352000000000 ] - [ 0.0000258900000000, -0.0000351400000000, -0.0002208800000000 ] - [ 0.0002402800000000, -0.0002115400000000, -0.0002776700000000 ] - [ -0.0006335300000000, 0.0011800800000000, -0.0016776300000000 ] - [ -0.0000232700000000, -0.0000832600000000, 0.0001505300000000 ] - [ 0.0008556900000000, -0.0055244800000000, -0.0003055600000000 ] - [ -0.0000035400000000, 0.0000531100000000, 0.0000998500000000 ] - [ -0.0000596300000000, 0.0002100300000000, 0.0002671600000000 ] - [ 0.0000361200000000, 0.0001476800000000, 0.0000305200000000 ] - [ 0.0000122000000000, -0.0001399700000000, -0.0002819700000000 ] - [ -0.0000990900000000, -0.0001049200000000, 0.0001127000000000 ] - [ 0.0002395100000000, -0.0001743500000000, -0.0005406000000000 ] - [ 0.0000685500000000, 0.0000918600000000, -0.0002489800000000 ] - [ 0.0001157500000000, -0.0000260800000000, -0.0001273600000000 ] - [ 0.0000158500000000, -0.0004597400000000, 0.0002247700000000 ] - [ -0.0000301300000000, 0.0001942300000000, 0.0000721600000000 ] - [ -0.0000201400000000, 0.0001889500000000, 0.0001650300000000 ] - [ -0.0000318000000000, 0.0002666500000000, -0.0001270300000000 ] - [ -0.0001405400000000, -0.0000937400000000, 0.0000067400000000 ] - [ -0.0001200900000000, -0.0005375500000000, 0.0000535900000000 ] - [ -0.0012160500000000, 0.0046705900000000, 0.0014547600000000 ] - [ -0.0000346200000000, -0.0004480100000000, -0.0001147200000000 ] - [ -0.0008506700000000, -0.0042149900000000, 0.0008986300000000 ] - [ 0.0001741600000000, 0.0001604200000000, -0.0000636100000000 ] - [ -0.0000506200000000, -0.0002909800000000, -0.0006011800000000 ] - [ -0.0001022800000000, 0.0001988700000000, -0.0002207600000000 ] - [ -0.0000229800000000, 0.0001158300000000, -0.0002082400000000 ] - [ 0.0003674100000000, -0.0004708900000000, 0.0001274000000000 ] - [ 0.0000006300000000, 0.0002146200000000, -0.0000141100000000 ] - [ 0.0000678000000000, 0.0002219900000000, -0.0002879900000000 ] - [ -0.0010335700000000, 0.0027157500000000, 0.0013816700000000 ] - [ -0.0002725500000000, 0.0007900100000000, 0.0011336500000000 ] - [ 0.0000556400000000, -0.0003530900000000, -0.0001320200000000 ] - [ 0.0000342300000000, -0.0000303900000000, 0.0001045000000000 ] - [ 0.0001194300000000, 0.0000295100000000, -0.0000295600000000 ] - [ 0.0012755000000000, 0.0024038800000000, 0.0014207800000000 ] - [ -0.0000008700000000, 0.0001336700000000, 0.0000336200000000 ] - [ 0.0000363100000000, 0.0002487600000000, -0.0001305300000000 ] - [ -0.0000901100000000, -0.0006120300000000, -0.0001526300000000 ]- atom: 2 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000003000000000, 0.0005591900000000, 0.0004609100000000 ] - [ 0.0013399900000000, 0.0251292200000000, 0.0075688500000000 ] - [ 0.0002213900000000, 0.0000938400000000, 0.0000088800000000 ] - [ -0.0000203000000000, 0.0001232500000000, -0.0002579300000000 ] - [ 0.0000078300000000, -0.0003875000000000, -0.0002335000000000 ] - [ -0.0002780100000000, 0.0002749000000000, -0.0001673800000000 ] - [ 0.0000076900000000, -0.0001441800000000, 0.0001221300000000 ] - [ 0.0002516900000000, -0.0003070600000000, 0.0000297300000000 ] - [ 0.0000052400000000, 0.0000855600000000, -0.0000603800000000 ] - [ 0.0000453600000000, 0.0001461200000000, 0.0000288500000000 ] - [ -0.0000110400000000, 0.0002769300000000, -0.0000711500000000 ] - [ -0.0000075600000000, -0.0000379100000000, -0.0000604200000000 ] - [ -0.0001377000000000, -0.0000097300000000, -0.0000248100000000 ] - [ 0.0000533000000000, -0.0002022700000000, 0.0000422800000000 ] - [ 0.0000504900000000, 0.0000673300000000, -0.0001274400000000 ] - [ 0.0047955100000000, -0.0028768900000000, -0.0011193100000000 ] - [ -0.0003318600000000, -0.0051947900000000, -0.0038441300000000 ] - [ -0.0000335800000000, -0.0001648500000000, -0.0000511100000000 ] - [ -0.0000923500000000, 0.0000551400000000, 0.0001037200000000 ] - [ -0.0000080700000000, 0.0002357100000000, -0.0000497400000000 ] - [ 0.0000020500000000, 0.0001603900000000, 0.0001957800000000 ] - [ -0.0001374800000000, -0.0000562900000000, 0.0001176100000000 ] - [ 0.0000456400000000, 0.0000471300000000, 0.0000538000000000 ] - [ -0.0000303300000000, 0.0001760100000000, -0.0000251000000000 ] - [ -0.0000439200000000, -0.0001396400000000, -0.0001235100000000 ] - [ -0.0000731200000000, -0.0001132100000000, -0.0001261700000000 ] - [ -0.0001265100000000, -0.0003078600000000, 0.0000944200000000 ] - [ 0.0002297700000000, -0.0004808400000000, 0.0004322600000000 ] - [ 0.0000803500000000, 0.0000544800000000, 0.0000489200000000 ] - [ -0.0000223100000000, -0.0002761700000000, 0.0001218300000000 ] - [ -0.0000450300000000, -0.0001461800000000, -0.0000556700000000 ] - [ 0.0000403000000000, -0.0000205900000000, 0.0000501000000000 ] - [ -0.0000331300000000, 0.0002023200000000, -0.0003184600000000 ] - [ 0.0027040100000000, -0.0028073400000000, 0.0006122100000000 ] - [ -0.0046862900000000, -0.0039108600000000, -0.0005572700000000 ] - [ -0.0000584200000000, 0.0000449800000000, -0.0001701900000000 ] - [ 0.0001164000000000, 0.0000214200000000, -0.0000995100000000 ] - [ -0.0000777700000000, -0.0008046100000000, 0.0014459000000000 ] - [ 0.0000004900000000, -0.0000527900000000, 0.0000352200000000 ] - [ 0.0003019600000000, -0.0027350900000000, 0.0044016600000000 ] - [ -0.0000179600000000, -0.0002432900000000, -0.0002663100000000 ] - [ 0.0000143400000000, -0.0012223000000000, -0.0023817500000000 ] - [ 0.0000079900000000, -0.0000500900000000, -0.0007775900000000 ] - [ -0.0000632300000000, -0.0003715600000000, -0.0000263900000000 ] - [ 0.0000446200000000, -0.0000187100000000, 0.0001388900000000 ] - [ -0.0028041900000000, -0.0023337200000000, 0.0005078800000000 ] - [ 0.0000042000000000, 0.0001489600000000, -0.0000837500000000 ] - [ -0.0000966200000000, -0.0001247900000000, -0.0001504300000000 ] - [ -0.0003931500000000, 0.0032788100000000, -0.0009289700000000 ] - [ 0.0001920900000000, -0.0006608900000000, 0.0002788300000000 ] - [ -0.0002467300000000, 0.0000301600000000, -0.0005457000000000 ] - [ -0.0000853800000000, 0.0000937600000000, 0.0001046900000000 ] - [ 0.0000797200000000, 0.0000346500000000, -0.0002541200000000 ] - [ 0.0002800400000000, 0.0001196400000000, 0.0000504000000000 ] - [ -0.0001155700000000, 0.0019804800000000, -0.0000098200000000 ] - [ -0.0002292700000000, -0.0001590700000000, -0.0000146200000000 ] - [ -0.0002160200000000, 0.0000260200000000, -0.0002397700000000 ] - [ 0.0000114000000000, 0.0000389700000000, -0.0006195000000000 ] - [ 0.0002268200000000, -0.0007737700000000, 0.0000871700000000 ] - [ 0.0009080600000000, 0.0034034900000000, -0.0009468300000000 ] - [ -0.0001736300000000, 0.0002909700000000, -0.0000136900000000 ] - [ 0.0002647200000000, 0.0001594200000000, 0.0000048200000000 ] - [ -0.0000624700000000, 0.0027655800000000, -0.0003556000000000 ] - [ -0.0003112300000000, -0.0051504200000000, 0.0005284400000000 ] - [ -0.0001470700000000, -0.0001862100000000, 0.0000939400000000 ] - [ -0.0001202700000000, 0.0000845200000000, 0.0000734500000000 ] - [ -0.0005075500000000, -0.0011475600000000, -0.0015914600000000 ] - [ -0.0000022200000000, 0.0001111800000000, -0.0000424800000000 ] - [ -0.0001101200000000, -0.0000404600000000, 0.0000690000000000 ] - [ 0.0000167700000000, -0.0000311100000000, -0.0001638000000000 ] - [ -0.0004936300000000, -0.0006395000000000, 0.0011338700000000 ] - [ -0.0002605000000000, -0.0003512800000000, 0.0013021800000000 ] - [ -0.0001458500000000, -0.0002301400000000, 0.0002607400000000 ] - [ -0.0013976400000000, -0.0047891400000000, -0.0012239900000000 ] - [ 0.0000506100000000, 0.0002442500000000, -0.0000410700000000 ] - [ -0.0000838900000000, -0.0002572100000000, -0.0002496700000000 ] - [ 0.0006751100000000, -0.0006914800000000, 0.0015995800000000 ] - [ -0.0000876600000000, -0.0001325300000000, 0.0003079800000000 ] - [ -0.0006635600000000, 0.0055675800000000, 0.0003760100000000 ] - [ 0.0000042400000000, 0.0001385400000000, 0.0000636500000000 ] - [ -0.0000997400000000, 0.0002077600000000, 0.0002564400000000 ] - [ 0.0000150200000000, -0.0000744800000000, 0.0001573300000000 ] - [ -0.0000692400000000, 0.0002124300000000, 0.0000903900000000 ] - [ -0.0000327700000000, -0.0001178400000000, -0.0003221300000000 ] - [ -0.0001116000000000, -0.0000486700000000, 0.0007377500000000 ] - [ 0.0000365700000000, 0.0000780400000000, -0.0002165500000000 ] - [ 0.0001153500000000, 0.0000311100000000, -0.0000221400000000 ] - [ -0.0001506700000000, 0.0000025200000000, -0.0003230500000000 ] - [ -0.0000513700000000, 0.0000151600000000, 0.0001846900000000 ] - [ -0.0000252400000000, 0.0003114900000000, 0.0000189400000000 ] - [ 0.0001568500000000, 0.0001455100000000, 0.0001898000000000 ] - [ -0.0000968000000000, 0.0000423800000000, 0.0001357200000000 ] - [ 0.0001207400000000, 0.0003558000000000, 0.0001296800000000 ] - [ 0.0011511900000000, -0.0051748600000000, -0.0015414200000000 ] - [ 0.0001562400000000, 0.0002344900000000, -0.0003543300000000 ] - [ 0.0008121900000000, 0.0036310800000000, -0.0008238300000000 ] - [ -0.0000456300000000, 0.0000148300000000, 0.0002543500000000 ] - [ 0.0001790400000000, -0.0001697800000000, 0.0006773600000000 ] - [ -0.0000299000000000, 0.0002143000000000, 0.0001475600000000 ] - [ 0.0000178600000000, -0.0003038900000000, 0.0000188500000000 ] - [ -0.0001380200000000, 0.0004188700000000, -0.0002776100000000 ] - [ -0.0000441200000000, 0.0002931400000000, 0.0001012100000000 ] - [ 0.0000857800000000, 0.0001957400000000, -0.0002394100000000 ] - [ 0.0010808400000000, -0.0028869800000000, -0.0011985100000000 ] - [ 0.0002660800000000, -0.0006483100000000, -0.0013276200000000 ] - [ -0.0000181100000000, -0.0002001400000000, 0.0000380700000000 ] - [ -0.0000354900000000, -0.0002103200000000, 0.0000562500000000 ] - [ 0.0000767100000000, -0.0001055500000000, 0.0000898700000000 ] - [ -0.0013518000000000, -0.0027068900000000, -0.0011692500000000 ] - [ 0.0000015000000000, 0.0000028100000000, 0.0001507200000000 ] - [ 0.0000036600000000, 0.0002514400000000, -0.0000593600000000 ] - [ 0.0000351600000000, 0.0004997600000000, -0.0000458500000000 ]- atom: 2 displacement: [ -0.0000185648863736, 0.0000000000000000, 0.0099999827672348 ] forces: - [ 0.0002370600000000, -0.0001240000000000, -0.0014769200000000 ] - [ -0.0005059000000000, -0.0068920900000000, -0.0389223100000000 ] - [ 0.0003014500000000, 0.0003419000000000, -0.0001978000000000 ] - [ -0.0000393000000000, 0.0000654300000000, 0.0002589300000000 ] - [ -0.0001186500000000, -0.0001707400000000, -0.0006076000000000 ] - [ -0.0002219000000000, 0.0002122100000000, 0.0007306200000000 ] - [ -0.0000329800000000, -0.0001843600000000, 0.0010120000000000 ] - [ 0.0002732200000000, -0.0003234200000000, 0.0005483300000000 ] - [ 0.0000472700000000, 0.0001578600000000, 0.0005373500000000 ] - [ 0.0000925700000000, 0.0001068700000000, 0.0006052100000000 ] - [ -0.0000089300000000, 0.0001308800000000, 0.0002055200000000 ] - [ -0.0000215900000000, 0.0001350100000000, 0.0002506600000000 ] - [ -0.0000921700000000, 0.0003004700000000, 0.0002842000000000 ] - [ 0.0001430200000000, 0.0004068600000000, -0.0002428400000000 ] - [ 0.0000594900000000, 0.0002198800000000, 0.0001762100000000 ] - [ -0.0019326400000000, 0.0018023000000000, -0.0021765500000000 ] - [ 0.0003056200000000, 0.0043543900000000, 0.0007031700000000 ] - [ 0.0000102400000000, 0.0000659200000000, 0.0003926300000000 ] - [ -0.0000111400000000, -0.0002427700000000, 0.0003554800000000 ] - [ -0.0000304200000000, 0.0005888100000000, 0.0002606700000000 ] - [ -0.0000006200000000, 0.0000570100000000, 0.0004844200000000 ] - [ -0.0000602000000000, -0.0003624500000000, 0.0005094500000000 ] - [ 0.0000236600000000, -0.0002887900000000, 0.0004060900000000 ] - [ 0.0000004200000000, 0.0000844300000000, 0.0001867300000000 ] - [ 0.0000313200000000, 0.0006094000000000, -0.0002707300000000 ] - [ -0.0000393200000000, -0.0003333400000000, 0.0002949700000000 ] - [ -0.0000629000000000, -0.0006707600000000, -0.0000729300000000 ] - [ 0.0000345500000000, -0.0006146100000000, -0.0001775200000000 ] - [ 0.0000526500000000, 0.0002586100000000, 0.0004710200000000 ] - [ -0.0000282900000000, -0.0008180500000000, -0.0004453400000000 ] - [ -0.0002260500000000, 0.0003538200000000, 0.0004956100000000 ] - [ 0.0000219900000000, -0.0001913000000000, 0.0005085400000000 ] - [ 0.0000062300000000, 0.0003645300000000, 0.0000713600000000 ] - [ 0.0004458800000000, -0.0006933400000000, -0.0017426700000000 ] - [ 0.0011573500000000, 0.0011610600000000, -0.0022331900000000 ] - [ -0.0000822100000000, 0.0000236600000000, 0.0004569300000000 ] - [ 0.0001408200000000, -0.0000991200000000, 0.0001944600000000 ] - [ -0.0000809200000000, -0.0018975100000000, 0.0010028000000000 ] - [ -0.0000286400000000, -0.0003249800000000, 0.0002266600000000 ] - [ 0.0003740100000000, -0.0048823400000000, 0.0030974600000000 ] - [ -0.0000186700000000, -0.0000202500000000, 0.0001242500000000 ] - [ -0.0000944400000000, 0.0028790500000000, 0.0022101200000000 ] - [ 0.0000357000000000, 0.0006166300000000, 0.0024285400000000 ] - [ 0.0000478500000000, 0.0000013000000000, 0.0003837800000000 ] - [ 0.0000927800000000, -0.0003995400000000, -0.0002745800000000 ] - [ -0.0006354000000000, -0.0007442600000000, -0.0019228000000000 ] - [ 0.0000062900000000, 0.0003332900000000, 0.0003791200000000 ] - [ -0.0001249100000000, -0.0000416200000000, 0.0004682600000000 ] - [ 0.0073060800000000, -0.0000688900000000, 0.0067079500000000 ] - [ 0.0006171500000000, -0.0001261400000000, -0.0008802700000000 ] - [ -0.0004199800000000, -0.0003584100000000, 0.0018390400000000 ] - [ -0.0000344600000000, 0.0000499200000000, 0.0012203700000000 ] - [ 0.0000276300000000, 0.0004992600000000, 0.0007129900000000 ] - [ 0.0002606500000000, 0.0000217500000000, 0.0010813600000000 ] - [ -0.0041114600000000, -0.0003933200000000, 0.0063078400000000 ] - [ 0.0000119100000000, 0.0000671100000000, -0.0008790300000000 ] - [ -0.0003266600000000, 0.0003351300000000, 0.0006608600000000 ] - [ 0.0002092000000000, -0.0002597000000000, 0.0018461900000000 ] - [ 0.0001252900000000, 0.0001898200000000, -0.0011935200000000 ] - [ -0.0080290500000000, -0.0001528200000000, 0.0078787800000000 ] - [ 0.0002297800000000, -0.0001111700000000, 0.0020424300000000 ] - [ -0.0001747800000000, -0.0000707600000000, 0.0018692400000000 ] - [ 0.0052031800000000, -0.0002387500000000, 0.0093580400000000 ] - [ 0.0006737800000000, 0.0004799400000000, -0.0012689700000000 ] - [ 0.0001229100000000, 0.0008435700000000, -0.0008782400000000 ] - [ 0.0002860800000000, 0.0000940600000000, -0.0015292700000000 ] - [ -0.0016213900000000, 0.0009687300000000, -0.0006081300000000 ] - [ -0.0002401100000000, -0.0004805800000000, -0.0009302300000000 ] - [ -0.0001822000000000, 0.0003040300000000, -0.0000973600000000 ] - [ 0.0001020000000000, -0.0006866700000000, -0.0002465900000000 ] - [ 0.0014171300000000, -0.0006947500000000, -0.0005826800000000 ] - [ 0.0002133400000000, 0.0001931500000000, 0.0022468800000000 ] - [ -0.0001540800000000, -0.0001658300000000, 0.0000840100000000 ] - [ 0.0006146300000000, 0.0001952700000000, 0.0037756600000000 ] - [ -0.0000137300000000, -0.0005234900000000, -0.0003864600000000 ] - [ 0.0003678300000000, -0.0004120200000000, -0.0003670800000000 ] - [ -0.0018287300000000, -0.0005516600000000, -0.0007620000000000 ] - [ 0.0000456000000000, -0.0000934900000000, -0.0001630200000000 ] - [ 0.0001950700000000, 0.0007587000000000, 0.0015203900000000 ] - [ -0.0000731300000000, 0.0005417700000000, -0.0000714800000000 ] - [ 0.0000008300000000, 0.0002221600000000, 0.0003203000000000 ] - [ 0.0001609400000000, 0.0008458800000000, -0.0005129600000000 ] - [ 0.0000351500000000, -0.0007073500000000, -0.0004546400000000 ] - [ -0.0004289100000000, 0.0000169500000000, 0.0015231000000000 ] - [ 0.0005454700000000, -0.0001935700000000, -0.0030634800000000 ] - [ 0.0000963400000000, 0.0001116800000000, -0.0005014200000000 ] - [ 0.0000182600000000, -0.0002541300000000, -0.0006875000000000 ] - [ 0.0004995800000000, -0.0001113500000000, 0.0022345600000000 ] - [ -0.0001326000000000, 0.0008129900000000, -0.0004454400000000 ] - [ 0.0000607500000000, 0.0007593500000000, -0.0001324600000000 ] - [ -0.0006521300000000, 0.0003453100000000, -0.0032254600000000 ] - [ -0.0004165200000000, -0.0006830900000000, -0.0007775600000000 ] - [ 0.0000225400000000, 0.0001784900000000, 0.0010490300000000 ] - [ -0.0006135700000000, 0.0000098600000000, 0.0040979900000000 ] - [ -0.0009097700000000, -0.0000732400000000, 0.0002346800000000 ] - [ -0.0002094500000000, -0.0024759000000000, 0.0020898300000000 ] - [ 0.0006873300000000, 0.0001383700000000, -0.0026901800000000 ] - [ -0.0005215700000000, -0.0004448200000000, -0.0032763800000000 ] - [ -0.0004406100000000, 0.0001650500000000, -0.0015364600000000 ] - [ -0.0002040800000000, 0.0007550800000000, -0.0008480400000000 ] - [ 0.0001912000000000, -0.0002615000000000, 0.0009405000000000 ] - [ 0.0000892100000000, -0.0000466600000000, -0.0005940000000000 ] - [ -0.0000313100000000, 0.0001881700000000, -0.0005215500000000 ] - [ 0.0022237300000000, 0.0029247200000000, 0.0010962000000000 ] - [ 0.0011633000000000, 0.0011755800000000, -0.0004556600000000 ] - [ 0.0002958100000000, -0.0009696800000000, -0.0009640900000000 ] - [ 0.0000834700000000, 0.0003173200000000, -0.0000593600000000 ] - [ 0.0001847000000000, 0.0003223600000000, -0.0005765300000000 ] - [ -0.0021390900000000, 0.0023797800000000, 0.0012546200000000 ] - [ -0.0000701100000000, 0.0004415500000000, -0.0004780900000000 ] - [ 0.0003203700000000, -0.0003597400000000, -0.0009513100000000 ] - [ -0.0001720000000000, -0.0009952900000000, -0.0003536900000000 ]- atom: 2 displacement: [ 0.0000185648863736, 0.0000000000000000, -0.0099999827672348 ] forces: - [ -0.0002143100000000, 0.0003587000000000, 0.0019402500000000 ] - [ -0.0000143500000000, 0.0075422400000000, 0.0378030100000000 ] - [ 0.0002187500000000, 0.0002377900000000, 0.0003389800000000 ] - [ 0.0000171400000000, 0.0001687200000000, -0.0006936100000000 ] - [ 0.0000956200000000, -0.0000881300000000, 0.0001791400000000 ] - [ -0.0002978700000000, 0.0003735500000000, -0.0008616500000000 ] - [ 0.0000553800000000, -0.0000754500000000, -0.0005655700000000 ] - [ 0.0002457300000000, -0.0002797900000000, -0.0004164200000000 ] - [ -0.0000090300000000, 0.0000542400000000, -0.0005237400000000 ] - [ 0.0000257700000000, 0.0001705800000000, -0.0004365300000000 ] - [ 0.0000060300000000, 0.0004232800000000, -0.0002742800000000 ] - [ 0.0000253000000000, -0.0001802800000000, -0.0002689600000000 ] - [ -0.0001621700000000, -0.0002507500000000, -0.0001427400000000 ] - [ 0.0000322800000000, -0.0006194700000000, 0.0004261700000000 ] - [ 0.0000413300000000, -0.0000569400000000, -0.0003443900000000 ] - [ 0.0017414100000000, -0.0015989200000000, 0.0020422000000000 ] - [ -0.0001956900000000, -0.0045134600000000, -0.0008835200000000 ] - [ -0.0000482100000000, -0.0003025500000000, -0.0003969200000000 ] - [ -0.0000896600000000, 0.0004066500000000, -0.0001705800000000 ] - [ 0.0000348600000000, -0.0000370100000000, -0.0001767200000000 ] - [ 0.0000230300000000, 0.0002509700000000, -0.0000097300000000 ] - [ -0.0000462800000000, 0.0001820000000000, -0.0003307900000000 ] - [ -0.0000236900000000, 0.0003064400000000, -0.0003713100000000 ] - [ -0.0000334500000000, 0.0002659000000000, -0.0001698400000000 ] - [ -0.0000276200000000, -0.0005944700000000, 0.0002530200000000 ] - [ -0.0000831600000000, 0.0000303000000000, -0.0004588700000000 ] - [ 0.0000288300000000, 0.0002957900000000, 0.0000919600000000 ] - [ -0.0000123900000000, 0.0002858200000000, 0.0006540400000000 ] - [ 0.0001237700000000, -0.0000757600000000, -0.0002935800000000 ] - [ 0.0000238400000000, 0.0002411600000000, 0.0003809800000000 ] - [ -0.0000301600000000, -0.0004347300000000, -0.0003507100000000 ] - [ 0.0000743300000000, 0.0000918300000000, -0.0003009500000000 ] - [ -0.0000283100000000, -0.0000588700000000, -0.0005320700000000 ] - [ -0.0003091200000000, 0.0003798600000000, 0.0019426000000000 ] - [ -0.0011013300000000, -0.0013744300000000, 0.0022647000000000 ] - [ -0.0000137600000000, 0.0000501000000000, -0.0006524500000000 ] - [ 0.0001155400000000, 0.0001592300000000, -0.0003273200000000 ] - [ -0.0000367200000000, 0.0021933300000000, -0.0011676600000000 ] - [ 0.0000263800000000, 0.0002848500000000, -0.0001897800000000 ] - [ -0.0001133400000000, 0.0047447200000000, -0.0032058600000000 ] - [ -0.0000031700000000, -0.0003123000000000, -0.0005846600000000 ] - [ 0.0000602700000000, -0.0027083800000000, -0.0022314600000000 ] - [ -0.0000018400000000, -0.0009797400000000, -0.0023975600000000 ] - [ -0.0000428300000000, -0.0005811600000000, -0.0002993800000000 ] - [ 0.0000045300000000, 0.0004733900000000, 0.0004867900000000 ] - [ 0.0005250200000000, 0.0006347200000000, 0.0017442800000000 ] - [ 0.0000277700000000, 0.0000176900000000, -0.0003822500000000 ] - [ -0.0000494300000000, -0.0001692500000000, -0.0006319400000000 ] - [ -0.0067453100000000, -0.0001683700000000, -0.0063946900000000 ] - [ -0.0000328900000000, -0.0001121200000000, 0.0012406300000000 ] - [ -0.0001553500000000, 0.0001270300000000, -0.0021845600000000 ] - [ -0.0001098400000000, 0.0001236400000000, -0.0007482900000000 ] - [ 0.0001711600000000, -0.0000989300000000, -0.0009700800000000 ] - [ 0.0003183400000000, 0.0001825000000000, -0.0007248600000000 ] - [ 0.0035893800000000, 0.0006163000000000, -0.0067493900000000 ] - [ -0.0004653700000000, -0.0003219700000000, 0.0006242000000000 ] - [ -0.0001260000000000, -0.0001127400000000, -0.0009194600000000 ] - [ -0.0000673700000000, 0.0000563600000000, -0.0023080200000000 ] - [ 0.0000769800000000, -0.0006092900000000, 0.0009302500000000 ] - [ 0.0076879900000000, -0.0002653800000000, -0.0075300300000000 ] - [ -0.0004299300000000, 0.0005216500000000, -0.0017694600000000 ] - [ 0.0006273900000000, 0.0002981600000000, -0.0016034200000000 ] - [ -0.0051533900000000, 0.0004259400000000, -0.0099636300000000 ] - [ -0.0008138400000000, -0.0006747300000000, 0.0017362500000000 ] - [ -0.0003110900000000, -0.0008000100000000, 0.0008220400000000 ] - [ -0.0004112300000000, 0.0000827400000000, 0.0013164200000000 ] - [ 0.0014403700000000, -0.0010418500000000, 0.0005435900000000 ] - [ 0.0002434000000000, 0.0007087400000000, 0.0007842900000000 ] - [ 0.0001444600000000, -0.0008558000000000, 0.0002860300000000 ] - [ -0.0000323100000000, 0.0004513800000000, -0.0000035800000000 ] - [ -0.0016751300000000, 0.0007249100000000, 0.0007295100000000 ] - [ -0.0003073100000000, -0.0000160100000000, -0.0019987600000000 ] - [ -0.0000094200000000, -0.0002857500000000, 0.0004495100000000 ] - [ -0.0004996400000000, -0.0003955400000000, -0.0038440700000000 ] - [ 0.0000847800000000, 0.0007405600000000, 0.0001363200000000 ] - [ -0.0002030500000000, -0.0000455300000000, -0.0001534800000000 ] - [ 0.0018926500000000, 0.0010927500000000, 0.0006608000000000 ] - [ -0.0001510000000000, -0.0001050300000000, 0.0006313600000000 ] - [ -0.0000036600000000, -0.0007047700000000, -0.0014567600000000 ] - [ 0.0000727100000000, -0.0003264300000000, 0.0002429200000000 ] - [ -0.0001590500000000, 0.0002042500000000, 0.0002135500000000 ] - [ -0.0001119100000000, -0.0007588100000000, 0.0007125600000000 ] - [ -0.0000860200000000, 0.0008123700000000, 0.0002810800000000 ] - [ 0.0003064300000000, -0.0002188100000000, -0.0017427900000000 ] - [ -0.0004329200000000, -0.0000069400000000, 0.0033146300000000 ] - [ 0.0000096600000000, 0.0000642900000000, 0.0000549000000000 ] - [ 0.0002279700000000, 0.0002834900000000, 0.0005623800000000 ] - [ -0.0006317500000000, -0.0003255700000000, -0.0023123000000000 ] - [ 0.0000657100000000, -0.0006135000000000, 0.0007215000000000 ] - [ -0.0001007400000000, -0.0002374400000000, 0.0003248800000000 ] - [ 0.0007883500000000, 0.0000663400000000, 0.0033477700000000 ] - [ 0.0001753300000000, 0.0006366300000000, 0.0009264300000000 ] - [ -0.0000106500000000, -0.0003556500000000, -0.0008598800000000 ] - [ 0.0005370700000000, -0.0004942000000000, -0.0041551600000000 ] - [ 0.0010125700000000, -0.0001266600000000, -0.0006868800000000 ] - [ 0.0001554300000000, 0.0019065300000000, -0.0019913000000000 ] - [ -0.0005614000000000, 0.0000382300000000, 0.0029414300000000 ] - [ 0.0006660200000000, 0.0000062700000000, 0.0033903200000000 ] - [ 0.0003060200000000, 0.0002480300000000, 0.0014551200000000 ] - [ 0.0001932300000000, -0.0009282000000000, 0.0006716400000000 ] - [ 0.0000466300000000, 0.0002214600000000, -0.0010790300000000 ] - [ -0.0001422000000000, 0.0005856400000000, 0.0007068600000000 ] - [ 0.0001924600000000, 0.0002388600000000, 0.0000090600000000 ] - [ -0.0021967500000000, -0.0030452100000000, -0.0008496600000000 ] - [ -0.0011866300000000, -0.0010406700000000, 0.0002725300000000 ] - [ -0.0002446400000000, 0.0004131100000000, 0.0008766900000000 ] - [ -0.0000821700000000, -0.0005574600000000, 0.0002332800000000 ] - [ 0.0000042200000000, -0.0003927100000000, 0.0006547100000000 ] - [ 0.0021022200000000, -0.0026257600000000, -0.0009444500000000 ] - [ 0.0000828400000000, -0.0002927200000000, 0.0006752000000000 ] - [ -0.0002774700000000, 0.0008863400000000, 0.0007801500000000 ] - [ 0.0001206300000000, 0.0008640600000000, 0.0001789200000000 ]- atom: 9 displacement: [ 0.0099999995909515, 0.0000000000000000, -0.0000028602394792 ] forces: - [ 0.0000129100000000, 0.0001249400000000, 0.0002449400000000 ] - [ -0.0002647900000000, -0.0002934500000000, -0.0000371200000000 ] - [ 0.0001789200000000, 0.0002994900000000, 0.0000954900000000 ] - [ 0.0007458200000000, 0.0001390400000000, -0.0002493900000000 ] - [ 0.0000306700000000, -0.0001228000000000, -0.0001939500000000 ] - [ 0.0028178300000000, -0.0043859600000000, 0.0010753600000000 ] - [ 0.0015883400000000, 0.0023860100000000, 0.0007448200000000 ] - [ -0.0005569000000000, -0.0002552700000000, -0.0000082700000000 ] - [ -0.0159578800000000, -0.0013852600000000, -0.0019432800000000 ] - [ -0.0004568700000000, 0.0001287900000000, -0.0000017900000000 ] - [ 0.0023833400000000, 0.0004387100000000, -0.0034464500000000 ] - [ 0.0000590100000000, -0.0001280700000000, -0.0002045100000000 ] - [ -0.0002517100000000, 0.0000063900000000, 0.0000961500000000 ] - [ 0.0000848400000000, -0.0001135000000000, 0.0000643800000000 ] - [ 0.0000909700000000, 0.0000442100000000, 0.0001581000000000 ] - [ -0.0000840200000000, 0.0000969300000000, -0.0000647100000000 ] - [ 0.0000539100000000, -0.0000969900000000, -0.0000823800000000 ] - [ 0.0013804800000000, -0.0002358900000000, -0.0024946800000000 ] - [ -0.0001020400000000, 0.0000757300000000, 0.0000909000000000 ] - [ 0.0000843200000000, 0.0002754300000000, 0.0000711600000000 ] - [ 0.0006983600000000, 0.0001876900000000, 0.0001889400000000 ] - [ -0.0000562300000000, -0.0000501700000000, 0.0001226800000000 ] - [ -0.0000026500000000, 0.0000267600000000, 0.0000216800000000 ] - [ -0.0007954700000000, 0.0002193300000000, 0.0000303000000000 ] - [ 0.0000033300000000, 0.0000184800000000, 0.0000050800000000 ] - [ -0.0001117000000000, -0.0000842300000000, -0.0003811100000000 ] - [ -0.0000257500000000, -0.0001789200000000, 0.0000123300000000 ] - [ 0.0000177300000000, -0.0001580600000000, 0.0002411000000000 ] - [ 0.0023021700000000, -0.0000861700000000, 0.0033476400000000 ] - [ 0.0000025600000000, -0.0002790600000000, -0.0000292100000000 ] - [ -0.0001517300000000, -0.0000488800000000, 0.0000887100000000 ] - [ 0.0000593300000000, 0.0000427400000000, 0.0003785600000000 ] - [ -0.0000028800000000, 0.0001321300000000, -0.0002485400000000 ] - [ 0.0000587800000000, -0.0001444900000000, 0.0001146100000000 ] - [ 0.0000152900000000, -0.0001054900000000, 0.0000280800000000 ] - [ 0.0005718200000000, 0.0000109400000000, -0.0001653700000000 ] - [ 0.0009092900000000, -0.0000810900000000, 0.0016194900000000 ] - [ -0.0000582600000000, 0.0001224200000000, -0.0000478000000000 ] - [ 0.0000651000000000, -0.0000077700000000, 0.0000263900000000 ] - [ 0.0001252900000000, -0.0000180900000000, -0.0000527300000000 ] - [ -0.0000045100000000, -0.0001182400000000, -0.0001600500000000 ] - [ -0.0000210700000000, 0.0001285400000000, 0.0000500400000000 ] - [ 0.0000013900000000, -0.0001926300000000, -0.0000180100000000 ] - [ 0.0000462700000000, -0.0002917300000000, 0.0000352000000000 ] - [ 0.0000510800000000, 0.0000619200000000, 0.0000858000000000 ] - [ -0.0000463100000000, -0.0000392300000000, -0.0000731800000000 ] - [ 0.0000069800000000, 0.0002537500000000, 0.0000542000000000 ] - [ 0.0011440300000000, -0.0000262100000000, -0.0001306800000000 ] - [ 0.0002577000000000, -0.0001048600000000, 0.0001539600000000 ] - [ 0.0002630200000000, -0.0001100100000000, 0.0002270800000000 ] - [ -0.0001385400000000, -0.0001242200000000, -0.0002624900000000 ] - [ -0.0011522000000000, 0.0120503800000000, 0.0040066400000000 ] - [ 0.0006182200000000, 0.0003532800000000, 0.0009316700000000 ] - [ -0.0029455200000000, -0.0088185000000000, -0.0029490100000000 ] - [ -0.0002724400000000, 0.0001219800000000, -0.0000923000000000 ] - [ -0.0001645400000000, -0.0002834200000000, -0.0000568400000000 ] - [ 0.0003961000000000, -0.0000037500000000, -0.0010987500000000 ] - [ 0.0003711300000000, 0.0002240100000000, -0.0006026100000000 ] - [ 0.0001652700000000, -0.0000585400000000, -0.0001594200000000 ] - [ -0.0000785800000000, -0.0001735300000000, 0.0002645700000000 ] - [ 0.0005425700000000, 0.0005246900000000, -0.0003422700000000 ] - [ 0.0005144000000000, 0.0004145700000000, 0.0001216300000000 ] - [ 0.0000359000000000, 0.0001140700000000, -0.0002093200000000 ] - [ -0.0000857100000000, -0.0000903700000000, 0.0002567700000000 ] - [ 0.0000492300000000, -0.0004528700000000, 0.0002367700000000 ] - [ -0.0005033500000000, 0.0003096700000000, 0.0015359500000000 ] - [ -0.0000822200000000, -0.0000461200000000, -0.0000645800000000 ] - [ -0.0008395700000000, 0.0001029200000000, -0.0005633800000000 ] - [ 0.0000731700000000, -0.0002978300000000, 0.0000537400000000 ] - [ 0.0000076700000000, 0.0000155700000000, -0.0003502400000000 ] - [ -0.0001542600000000, 0.0000425400000000, 0.0000457100000000 ] - [ -0.0000374000000000, 0.0000856300000000, 0.0002017500000000 ] - [ -0.0001764600000000, -0.0002186900000000, 0.0002625900000000 ] - [ -0.0000145000000000, -0.0000938000000000, -0.0000992300000000 ] - [ 0.0000540000000000, 0.0003887700000000, 0.0000463000000000 ] - [ 0.0000222400000000, -0.0002292800000000, -0.0002777100000000 ] - [ 0.0000480700000000, 0.0002756600000000, -0.0000654300000000 ] - [ -0.0000123900000000, 0.0000071400000000, 0.0006854600000000 ] - [ 0.0001040600000000, 0.0000102600000000, 0.0000039500000000 ] - [ 0.0001101100000000, -0.0000016600000000, 0.0002253400000000 ] - [ -0.0010294100000000, 0.0002113400000000, 0.0002215400000000 ] - [ 0.0029811400000000, -0.0003060700000000, 0.0003278600000000 ] - [ 0.0000057800000000, -0.0002480800000000, -0.0003249200000000 ] - [ -0.0000417400000000, -0.0000925800000000, -0.0002027400000000 ] - [ 0.0000818200000000, -0.0001004100000000, 0.0000355000000000 ] - [ 0.0083971200000000, -0.0004079500000000, -0.0004685800000000 ] - [ -0.0025305500000000, 0.0066099300000000, 0.0015561800000000 ] - [ -0.0000734500000000, -0.0002324400000000, -0.0000463800000000 ] - [ -0.0008562300000000, -0.0000286800000000, 0.0001337200000000 ] - [ 0.0001324400000000, 0.0004046900000000, -0.0001101200000000 ] - [ -0.0000446700000000, 0.0001657100000000, -0.0000340000000000 ] - [ -0.0007620800000000, -0.0000845600000000, -0.0001038100000000 ] - [ -0.0000100100000000, -0.0001017500000000, 0.0000758800000000 ] - [ 0.0000498900000000, -0.0002343800000000, -0.0001226900000000 ] - [ 0.0000890500000000, -0.0000987500000000, -0.0002438900000000 ] - [ -0.0000194900000000, -0.0002587600000000, 0.0000151800000000 ] - [ 0.0001029600000000, 0.0001053500000000, -0.0000467500000000 ] - [ -0.0000993100000000, -0.0001832800000000, -0.0002589300000000 ] - [ -0.0006677200000000, -0.0000630200000000, -0.0016743100000000 ] - [ -0.0003771500000000, -0.0001453000000000, -0.0001995800000000 ] - [ 0.0001040200000000, -0.0000039500000000, -0.0000922100000000 ] - [ -0.0019065200000000, -0.0054980700000000, -0.0012742000000000 ] - [ -0.0002675700000000, 0.0002223100000000, 0.0000708700000000 ] - [ 0.0000447200000000, -0.0001031700000000, 0.0000662000000000 ] - [ -0.0000216000000000, 0.0000529900000000, -0.0001293100000000 ] - [ 0.0027173400000000, 0.0002804100000000, 0.0012316900000000 ] - [ 0.0000675700000000, -0.0001228800000000, 0.0000896900000000 ] - [ -0.0000097800000000, -0.0009838500000000, 0.0004330400000000 ] - [ -0.0000495500000000, -0.0001381200000000, 0.0001161600000000 ] - [ -0.0000009500000000, 0.0007723100000000, -0.0000715800000000 ] - [ 0.0004083400000000, 0.0005159600000000, -0.0001760000000000 ] - [ -0.0000290100000000, -0.0001313400000000, 0.0000813700000000 ]- atom: 9 displacement: [ -0.0099999995909515, 0.0000000000000000, 0.0000028602394792 ] forces: - [ 0.0000106100000000, 0.0001242000000000, 0.0001948200000000 ] - [ -0.0002572000000000, -0.0002967900000000, -0.0000952400000000 ] - [ 0.0003425200000000, 0.0002900800000000, 0.0000388100000000 ] - [ -0.0007694800000000, 0.0001120000000000, -0.0001913700000000 ] - [ -0.0000534000000000, -0.0001268000000000, -0.0002440700000000 ] - [ -0.0033211000000000, 0.0049162700000000, -0.0011976700000000 ] - [ -0.0015650400000000, -0.0026576900000000, -0.0003124800000000 ] - [ 0.0010773000000000, -0.0003425500000000, 0.0001517700000000 ] - [ 0.0158891000000000, 0.0015221300000000, 0.0019140200000000 ] - [ 0.0005749800000000, 0.0001553500000000, 0.0001846100000000 ] - [ -0.0023990300000000, 0.0001222800000000, 0.0034076200000000 ] - [ -0.0000568800000000, 0.0000955400000000, 0.0001788100000000 ] - [ -0.0000061100000000, 0.0000465900000000, 0.0000242100000000 ] - [ 0.0000912600000000, -0.0000823000000000, 0.0001061000000000 ] - [ 0.0000233400000000, 0.0001266500000000, -0.0003231000000000 ] - [ -0.0000919300000000, 0.0000991700000000, -0.0001041900000000 ] - [ 0.0000593300000000, -0.0000753800000000, -0.0000855100000000 ] - [ -0.0014119900000000, 0.0000170500000000, 0.0024518900000000 ] - [ -0.0000118300000000, 0.0000954800000000, 0.0000771200000000 ] - [ -0.0000825300000000, 0.0002873300000000, 0.0000073200000000 ] - [ -0.0006770800000000, 0.0001432300000000, 0.0002769200000000 ] - [ -0.0000590100000000, -0.0001199500000000, 0.0000454200000000 ] - [ 0.0000017600000000, 0.0000064000000000, 0.0000046500000000 ] - [ 0.0007617500000000, 0.0001478300000000, -0.0000311200000000 ] - [ -0.0000029600000000, 0.0000151200000000, -0.0000314100000000 ] - [ -0.0000098600000000, -0.0001999100000000, 0.0001941800000000 ] - [ -0.0000077100000000, -0.0001950000000000, -0.0000014000000000 ] - [ 0.0000030700000000, -0.0001656200000000, 0.0002228000000000 ] - [ -0.0021395700000000, 0.0002874800000000, -0.0032168100000000 ] - [ -0.0000039800000000, -0.0002827400000000, -0.0000477900000000 ] - [ -0.0001056000000000, -0.0000041000000000, 0.0000335900000000 ] - [ 0.0000401400000000, -0.0001291900000000, -0.0001865600000000 ] - [ -0.0000176100000000, 0.0001943700000000, -0.0002158400000000 ] - [ 0.0000622000000000, -0.0001424300000000, 0.0000733800000000 ] - [ 0.0000212600000000, -0.0001109900000000, -0.0000142900000000 ] - [ -0.0006701200000000, 0.0000750400000000, -0.0000284500000000 ] - [ -0.0006487100000000, 0.0001319200000000, -0.0017225700000000 ] - [ -0.0000635500000000, 0.0001633400000000, -0.0001388700000000 ] - [ -0.0000659500000000, -0.0000265800000000, 0.0000010100000000 ] - [ 0.0001320900000000, -0.0000334600000000, -0.0000681600000000 ] - [ -0.0000150700000000, -0.0002118100000000, -0.0003064400000000 ] - [ -0.0000156900000000, 0.0000885100000000, -0.0000626000000000 ] - [ 0.0000310000000000, -0.0001821100000000, 0.0000078000000000 ] - [ -0.0000443400000000, -0.0002708100000000, 0.0000409400000000 ] - [ 0.0000473700000000, 0.0000196400000000, 0.0001051400000000 ] - [ -0.0000519100000000, -0.0000415200000000, -0.0001143600000000 ] - [ 0.0000249700000000, 0.0001204800000000, -0.0000644500000000 ] - [ -0.0013215000000000, -0.0001681500000000, -0.0000386400000000 ] - [ 0.0001830700000000, -0.0001261800000000, 0.0001086000000000 ] - [ 0.0003053900000000, -0.0001156900000000, 0.0001100900000000 ] - [ -0.0004375800000000, -0.0001040300000000, -0.0000766800000000 ] - [ 0.0010457600000000, -0.0117549400000000, -0.0035244300000000 ] - [ -0.0004360500000000, 0.0000609000000000, -0.0011895100000000 ] - [ 0.0035150100000000, 0.0091231200000000, 0.0033064900000000 ] - [ -0.0002956600000000, 0.0001038100000000, -0.0002424400000000 ] - [ -0.0002746600000000, 0.0000522400000000, -0.0002076100000000 ] - [ -0.0008354700000000, 0.0002368000000000, 0.0008388100000000 ] - [ -0.0002476700000000, -0.0003958800000000, 0.0001474300000000 ] - [ 0.0000170400000000, -0.0003525700000000, -0.0001032300000000 ] - [ -0.0001018500000000, -0.0002381700000000, 0.0000038400000000 ] - [ -0.0007141000000000, -0.0000889900000000, 0.0005949300000000 ] - [ -0.0000698600000000, -0.0001879700000000, 0.0001480500000000 ] - [ 0.0000954400000000, 0.0000769500000000, -0.0002610100000000 ] - [ -0.0000495700000000, -0.0000997200000000, 0.0002101600000000 ] - [ -0.0002602500000000, 0.0004931300000000, -0.0003015500000000 ] - [ 0.0003729200000000, -0.0001045600000000, -0.0017290800000000 ] - [ -0.0001235800000000, -0.0000001000000000, -0.0000046500000000 ] - [ 0.0008394000000000, 0.0001130700000000, 0.0004050900000000 ] - [ -0.0001091700000000, -0.0002330300000000, 0.0001166200000000 ] - [ 0.0000743900000000, -0.0002459300000000, 0.0000799100000000 ] - [ -0.0000768500000000, -0.0000128500000000, 0.0000929100000000 ] - [ -0.0000669300000000, 0.0001106300000000, 0.0002540800000000 ] - [ 0.0000242600000000, -0.0002236000000000, 0.0002577100000000 ] - [ 0.0000173300000000, -0.0001240500000000, -0.0000552200000000 ] - [ 0.0000289500000000, -0.0001615200000000, -0.0003189100000000 ] - [ 0.0001269600000000, -0.0002137700000000, -0.0002428200000000 ] - [ -0.0000067300000000, 0.0002603800000000, -0.0000338400000000 ] - [ -0.0000775400000000, -0.0002019500000000, -0.0002260400000000 ] - [ 0.0001013400000000, 0.0000359600000000, 0.0000650900000000 ] - [ -0.0001132100000000, 0.0002179200000000, -0.0000700200000000 ] - [ 0.0008769200000000, 0.0002309000000000, 0.0002982800000000 ] - [ -0.0029176000000000, 0.0003973800000000, -0.0001311500000000 ] - [ -0.0000667200000000, 0.0003463000000000, 0.0001217600000000 ] - [ -0.0000910100000000, -0.0001151500000000, 0.0000169200000000 ] - [ 0.0000498200000000, -0.0001071700000000, 0.0001533000000000 ] - [ -0.0082956500000000, 0.0005582800000000, 0.0000008600000000 ] - [ 0.0027431500000000, -0.0065999700000000, -0.0016965800000000 ] - [ -0.0000536100000000, -0.0002080200000000, -0.0000166100000000 ] - [ 0.0007707700000000, 0.0002639600000000, 0.0001326200000000 ] - [ -0.0001689100000000, 0.0001272400000000, 0.0002805100000000 ] - [ 0.0001730600000000, 0.0002726200000000, 0.0001060700000000 ] - [ 0.0005364200000000, 0.0000619200000000, 0.0002505200000000 ] - [ 0.0000050200000000, -0.0000683100000000, 0.0001169000000000 ] - [ -0.0000112300000000, -0.0002953500000000, -0.0000489100000000 ] - [ 0.0000181500000000, -0.0000980100000000, -0.0002122500000000 ] - [ -0.0000227000000000, -0.0002786000000000, 0.0000846300000000 ] - [ 0.0000306600000000, 0.0001030300000000, 0.0002274300000000 ] - [ 0.0002240100000000, -0.0002577000000000, 0.0003101300000000 ] - [ 0.0005368100000000, 0.0005005900000000, 0.0016047300000000 ] - [ 0.0003825100000000, -0.0000242100000000, 0.0000090900000000 ] - [ 0.0001258400000000, -0.0000244100000000, -0.0000479900000000 ] - [ 0.0019584100000000, 0.0060643500000000, 0.0013689500000000 ] - [ 0.0004035500000000, 0.0002217100000000, -0.0005942800000000 ] - [ 0.0000167500000000, 0.0000014100000000, 0.0001354400000000 ] - [ 0.0000263300000000, 0.0001159500000000, -0.0000648500000000 ] - [ -0.0026589900000000, -0.0008089700000000, -0.0013041200000000 ] - [ -0.0000710300000000, -0.0000928000000000, 0.0000657300000000 ] - [ 0.0002120500000000, 0.0009342000000000, -0.0003592200000000 ] - [ -0.0000344600000000, -0.0000929200000000, 0.0001549700000000 ] - [ -0.0000034400000000, -0.0006028800000000, 0.0002667000000000 ] - [ -0.0003610900000000, 0.0000074600000000, 0.0000007600000000 ] - [ -0.0000316200000000, 0.0000301800000000, -0.0002826700000000 ]- atom: 9 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000472000000000, 0.0001126300000000, 0.0002793500000000 ] - [ -0.0002985100000000, -0.0002858700000000, -0.0000199200000000 ] - [ 0.0002638600000000, 0.0003341500000000, 0.0002436500000000 ] - [ 0.0000415400000000, 0.0002780500000000, -0.0008194100000000 ] - [ -0.0000191700000000, -0.0001239200000000, -0.0000245900000000 ] - [ -0.0052426900000000, 0.0040443000000000, -0.0013276600000000 ] - [ 0.0028572800000000, 0.0022410700000000, 0.0008205800000000 ] - [ 0.0002846900000000, 0.0010189700000000, -0.0027316500000000 ] - [ -0.0014817300000000, -0.0398159400000000, -0.0085268200000000 ] - [ 0.0000657900000000, 0.0013391900000000, 0.0000376900000000 ] - [ 0.0002503000000000, -0.0010832200000000, -0.0001385700000000 ] - [ 0.0000116700000000, 0.0005750600000000, 0.0000933200000000 ] - [ -0.0001007700000000, 0.0003999400000000, 0.0000574900000000 ] - [ 0.0001114100000000, 0.0000177500000000, 0.0001974900000000 ] - [ 0.0000341400000000, 0.0007658400000000, 0.0000162700000000 ] - [ -0.0000894700000000, 0.0001592700000000, -0.0000412000000000 ] - [ 0.0000368400000000, -0.0001815500000000, -0.0000894500000000 ] - [ -0.0001504500000000, -0.0012447500000000, -0.0000962400000000 ] - [ -0.0000543900000000, -0.0002753500000000, -0.0000590800000000 ] - [ 0.0000036400000000, 0.0005257200000000, 0.0000363700000000 ] - [ 0.0000032600000000, -0.0001061300000000, 0.0006184400000000 ] - [ -0.0000501700000000, 0.0002599600000000, 0.0000952000000000 ] - [ 0.0000013300000000, 0.0002057600000000, -0.0000119600000000 ] - [ 0.0000201200000000, 0.0003684800000000, 0.0020980700000000 ] - [ 0.0000147400000000, -0.0000897300000000, -0.0000173200000000 ] - [ -0.0001333900000000, 0.0004163900000000, -0.0003541800000000 ] - [ -0.0000173500000000, -0.0000951500000000, -0.0000529200000000 ] - [ 0.0000128800000000, -0.0001116700000000, 0.0002252200000000 ] - [ -0.0001723500000000, -0.0012229000000000, -0.0003929500000000 ] - [ 0.0000276600000000, -0.0001756700000000, -0.0000452500000000 ] - [ -0.0001376700000000, -0.0003691300000000, 0.0001151200000000 ] - [ 0.0001192300000000, 0.0005607800000000, -0.0001095300000000 ] - [ 0.0000476200000000, 0.0003211500000000, -0.0002844600000000 ] - [ 0.0000635700000000, -0.0002282000000000, 0.0001346400000000 ] - [ 0.0000161400000000, -0.0000170400000000, 0.0000554700000000 ] - [ -0.0000334400000000, 0.0008207300000000, -0.0001435800000000 ] - [ 0.0000142200000000, -0.0008192900000000, -0.0001181000000000 ] - [ -0.0000743200000000, 0.0000065000000000, 0.0000031100000000 ] - [ 0.0000010800000000, -0.0002699400000000, 0.0000113600000000 ] - [ 0.0000915400000000, 0.0000889100000000, -0.0000659600000000 ] - [ 0.0001880300000000, -0.0002627200000000, -0.0000710300000000 ] - [ -0.0000384700000000, 0.0002371400000000, 0.0001056200000000 ] - [ -0.0000600000000000, -0.0002911700000000, 0.0000761600000000 ] - [ 0.0000072600000000, -0.0004586700000000, 0.0000251300000000 ] - [ 0.0000680600000000, -0.0000901000000000, 0.0001986900000000 ] - [ -0.0000503800000000, -0.0001096700000000, -0.0000582000000000 ] - [ -0.0000990500000000, 0.0003837600000000, -0.0001602000000000 ] - [ -0.0001573400000000, -0.0010620000000000, -0.0001175700000000 ] - [ 0.0003407800000000, -0.0000335200000000, 0.0003959900000000 ] - [ 0.0002860600000000, -0.0001426900000000, 0.0000796900000000 ] - [ -0.0011990300000000, 0.0000140300000000, -0.0000333900000000 ] - [ 0.0098826000000000, 0.0100681600000000, 0.0031200400000000 ] - [ 0.0002750100000000, 0.0005096000000000, 0.0015279100000000 ] - [ -0.0071938000000000, 0.0077479000000000, 0.0031517200000000 ] - [ -0.0003606700000000, 0.0000486100000000, -0.0004455200000000 ] - [ -0.0001744600000000, -0.0003477300000000, -0.0003041100000000 ] - [ -0.0005674500000000, 0.0003369000000000, 0.0015331200000000 ] - [ -0.0007330100000000, 0.0026451800000000, 0.0021452400000000 ] - [ 0.0000400800000000, -0.0004300100000000, -0.0003120700000000 ] - [ 0.0002020200000000, 0.0000335200000000, 0.0011160200000000 ] - [ 0.0006343800000000, 0.0026123500000000, -0.0021433000000000 ] - [ 0.0009031100000000, -0.0004620300000000, -0.0000132700000000 ] - [ -0.0001636300000000, 0.0001111700000000, -0.0010462700000000 ] - [ -0.0000933600000000, -0.0001014200000000, 0.0001588500000000 ] - [ -0.0004075400000000, -0.0015579600000000, 0.0002116100000000 ] - [ 0.0007838300000000, -0.0000612500000000, -0.0026722800000000 ] - [ -0.0001537600000000, 0.0002924300000000, 0.0000475400000000 ] - [ 0.0005852900000000, -0.0004615700000000, 0.0004927400000000 ] - [ -0.0003054000000000, -0.0004798900000000, 0.0005157900000000 ] - [ 0.0000317000000000, 0.0002705100000000, -0.0000611400000000 ] - [ -0.0000641700000000, -0.0002011900000000, 0.0000612100000000 ] - [ 0.0001753100000000, 0.0000766300000000, 0.0001936500000000 ] - [ -0.0000847500000000, -0.0002016200000000, 0.0004368000000000 ] - [ -0.0000405800000000, 0.0000803700000000, -0.0001800600000000 ] - [ -0.0000868700000000, -0.0007353700000000, -0.0004380900000000 ] - [ -0.0002875200000000, -0.0002144600000000, -0.0002964900000000 ] - [ -0.0000860300000000, -0.0000719200000000, 0.0000757000000000 ] - [ 0.0012433100000000, -0.0001835700000000, -0.0002596500000000 ] - [ 0.0001170600000000, 0.0001272300000000, -0.0000197700000000 ] - [ -0.0002457300000000, 0.0008220200000000, -0.0003431300000000 ] - [ -0.0000788400000000, 0.0002588500000000, 0.0001677900000000 ] - [ -0.0004679100000000, 0.0023171500000000, -0.0003454400000000 ] - [ 0.0001365800000000, -0.0008279100000000, -0.0003622500000000 ] - [ -0.0001227200000000, -0.0001174100000000, 0.0000835700000000 ] - [ 0.0001737300000000, -0.0001029200000000, -0.0002443300000000 ] - [ 0.0003098400000000, 0.0092899100000000, 0.0007150600000000 ] - [ 0.0028717600000000, 0.0011204800000000, -0.0000250300000000 ] - [ -0.0000117300000000, -0.0002435300000000, 0.0001531100000000 ] - [ 0.0000536100000000, 0.0011005900000000, -0.0000407500000000 ] - [ 0.0002778500000000, 0.0009837200000000, -0.0003051700000000 ] - [ 0.0003363000000000, -0.0000363600000000, 0.0015223700000000 ] - [ -0.0002326900000000, 0.0006617700000000, 0.0000660300000000 ] - [ -0.0000059400000000, 0.0000299700000000, 0.0000550900000000 ] - [ 0.0001609400000000, -0.0000040200000000, -0.0002784700000000 ] - [ 0.0000665900000000, -0.0001108300000000, -0.0002939000000000 ] - [ -0.0000133800000000, -0.0003642800000000, -0.0000183000000000 ] - [ -0.0000731000000000, 0.0000959500000000, 0.0005223300000000 ] - [ -0.0004006200000000, -0.0002629100000000, -0.0017601200000000 ] - [ -0.0009057500000000, -0.0000589900000000, -0.0025504500000000 ] - [ -0.0001084300000000, -0.0008506200000000, -0.0000792400000000 ] - [ 0.0001102900000000, -0.0001093900000000, -0.0001276500000000 ] - [ -0.0026464200000000, 0.0022303900000000, 0.0005051900000000 ] - [ -0.0008880900000000, 0.0001060200000000, 0.0001221300000000 ] - [ 0.0000888800000000, -0.0005434100000000, -0.0000953000000000 ] - [ 0.0000344700000000, 0.0003279300000000, -0.0001073400000000 ] - [ 0.0014514100000000, 0.0036743900000000, 0.0040933300000000 ] - [ 0.0002842100000000, -0.0002927900000000, 0.0004727000000000 ] - [ -0.0004541200000000, -0.0019996000000000, 0.0006309800000000 ] - [ -0.0000728900000000, -0.0003655200000000, 0.0000695000000000 ] - [ 0.0004966900000000, -0.0020785900000000, 0.0006285300000000 ] - [ 0.0001477900000000, -0.0009384900000000, 0.0004417400000000 ] - [ -0.0000150700000000, 0.0003083800000000, 0.0000225400000000 ]- atom: 9 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000248000000000, 0.0001386800000000, 0.0001587500000000 ] - [ -0.0002230400000000, -0.0003048700000000, -0.0001082800000000 ] - [ 0.0002574200000000, 0.0002575800000000, -0.0001159100000000 ] - [ -0.0000639500000000, -0.0000268800000000, 0.0003809200000000 ] - [ -0.0000024500000000, -0.0001268100000000, -0.0004135500000000 ] - [ 0.0047890100000000, -0.0034853700000000, 0.0012137600000000 ] - [ -0.0028659600000000, -0.0025089900000000, -0.0003933100000000 ] - [ 0.0002375900000000, -0.0016049700000000, 0.0028450500000000 ] - [ 0.0014317500000000, 0.0390878600000000, 0.0084977700000000 ] - [ 0.0000528600000000, -0.0010621200000000, 0.0001524500000000 ] - [ -0.0002391400000000, 0.0016478700000000, 0.0000512100000000 ] - [ -0.0000138600000000, -0.0006103900000000, -0.0001200200000000 ] - [ -0.0001569100000000, -0.0003481300000000, 0.0000625800000000 ] - [ 0.0000645000000000, -0.0002106000000000, -0.0000290700000000 ] - [ 0.0000847300000000, -0.0006008700000000, -0.0001815800000000 ] - [ -0.0000859900000000, 0.0000347900000000, -0.0001270300000000 ] - [ 0.0000827000000000, 0.0000169100000000, -0.0000759000000000 ] - [ 0.0001011400000000, 0.0010250800000000, 0.0000876800000000 ] - [ -0.0000649700000000, 0.0004401100000000, 0.0002230100000000 ] - [ -0.0000007100000000, 0.0000375200000000, 0.0000374900000000 ] - [ 0.0000182100000000, 0.0004379700000000, -0.0001516700000000 ] - [ -0.0000695000000000, -0.0004248600000000, 0.0000693500000000 ] - [ 0.0000028400000000, -0.0001701200000000, 0.0000375400000000 ] - [ -0.0000530200000000, 0.0000019300000000, -0.0020796300000000 ] - [ -0.0000183000000000, 0.0001273400000000, -0.0000072900000000 ] - [ 0.0000147800000000, -0.0006993500000000, 0.0001644600000000 ] - [ -0.0000158300000000, -0.0002767000000000, 0.0000628100000000 ] - [ 0.0000085400000000, -0.0002201800000000, 0.0002426800000000 ] - [ 0.0003625400000000, 0.0014172600000000, 0.0005734100000000 ] - [ -0.0000299900000000, -0.0003868000000000, -0.0000286900000000 ] - [ -0.0001190000000000, 0.0003194500000000, 0.0000041100000000 ] - [ -0.0000222100000000, -0.0006433600000000, 0.0003009900000000 ] - [ -0.0000683800000000, 0.0000094200000000, -0.0001827000000000 ] - [ 0.0000563800000000, -0.0000570300000000, 0.0000576100000000 ] - [ 0.0000219000000000, -0.0002007900000000, -0.0000423100000000 ] - [ -0.0000626100000000, -0.0007413300000000, -0.0000497700000000 ] - [ 0.0002372100000000, 0.0008698300000000, -0.0000063800000000 ] - [ -0.0000452200000000, 0.0002786100000000, -0.0001957400000000 ] - [ 0.0000022000000000, 0.0002337500000000, 0.0000133700000000 ] - [ 0.0001658000000000, -0.0001393900000000, -0.0000543800000000 ] - [ -0.0002081200000000, -0.0000680900000000, -0.0003963300000000 ] - [ 0.0000002000000000, -0.0000180900000000, -0.0001210400000000 ] - [ 0.0000927300000000, -0.0000813900000000, -0.0000868600000000 ] - [ -0.0000045300000000, -0.0001040500000000, 0.0000487000000000 ] - [ 0.0000293700000000, 0.0001691500000000, -0.0000080200000000 ] - [ -0.0000464700000000, 0.0000314900000000, -0.0001319600000000 ] - [ 0.0001319500000000, -0.0000108600000000, 0.0001499800000000 ] - [ -0.0000191400000000, 0.0008673900000000, -0.0000513200000000 ] - [ 0.0001001400000000, -0.0001990700000000, -0.0001303800000000 ] - [ 0.0002836800000000, -0.0000842300000000, 0.0002606600000000 ] - [ 0.0006246800000000, -0.0002397100000000, -0.0003094900000000 ] - [ -0.0098923200000000, -0.0097304200000000, -0.0026021600000000 ] - [ -0.0000910700000000, -0.0000930600000000, -0.0017917500000000 ] - [ 0.0076915800000000, -0.0074108300000000, -0.0027673900000000 ] - [ -0.0002100300000000, 0.0001790100000000, 0.0001054400000000 ] - [ -0.0002694900000000, 0.0001142300000000, 0.0000342000000000 ] - [ 0.0001269600000000, -0.0001038700000000, -0.0017972800000000 ] - [ 0.0008641300000000, -0.0028194900000000, -0.0026246700000000 ] - [ 0.0001471900000000, 0.0000128500000000, 0.0000441800000000 ] - [ -0.0003847800000000, -0.0004479400000000, -0.0008490600000000 ] - [ -0.0008178800000000, -0.0021713200000000, 0.0024238800000000 ] - [ -0.0004596200000000, 0.0006979200000000, 0.0002833000000000 ] - [ 0.0003039600000000, 0.0000849900000000, 0.0005720400000000 ] - [ -0.0000460100000000, -0.0000937200000000, 0.0003133800000000 ] - [ 0.0001945700000000, 0.0015976400000000, -0.0002738400000000 ] - [ -0.0009139200000000, 0.0002678100000000, 0.0024816700000000 ] - [ -0.0000517200000000, -0.0003428300000000, -0.0001224200000000 ] - [ -0.0005859700000000, 0.0006722300000000, -0.0006547400000000 ] - [ 0.0002682700000000, -0.0000438800000000, -0.0003491300000000 ] - [ 0.0000485500000000, -0.0004948600000000, -0.0002164100000000 ] - [ -0.0001666100000000, 0.0002337200000000, 0.0000753700000000 ] - [ -0.0002836700000000, 0.0001200500000000, 0.0002613300000000 ] - [ -0.0000692300000000, -0.0002417800000000, 0.0000811200000000 ] - [ 0.0000420400000000, -0.0002910000000000, 0.0000223700000000 ] - [ 0.0001701700000000, 0.0009599500000000, 0.0001634300000000 ] - [ 0.0004408800000000, -0.0002290000000000, -0.0002227500000000 ] - [ 0.0001267900000000, 0.0006051000000000, -0.0001738900000000 ] - [ -0.0013399500000000, -0.0000116200000000, 0.0007161800000000 ] - [ 0.0000887000000000, -0.0000762500000000, 0.0000938500000000 ] - [ 0.0002448800000000, -0.0006089000000000, 0.0004998600000000 ] - [ -0.0000757400000000, 0.0001858400000000, 0.0003502300000000 ] - [ 0.0005253200000000, -0.0022452400000000, 0.0006140600000000 ] - [ -0.0001966800000000, 0.0009203000000000, 0.0001533600000000 ] - [ -0.0000094700000000, -0.0000915100000000, -0.0002716100000000 ] - [ -0.0000416000000000, -0.0001053800000000, 0.0004325300000000 ] - [ -0.0002083600000000, -0.0083936500000000, -0.0010469200000000 ] - [ -0.0026291800000000, -0.0010618100000000, -0.0001134300000000 ] - [ -0.0001156900000000, -0.0001984200000000, -0.0002177300000000 ] - [ -0.0001368000000000, -0.0008755100000000, 0.0003141300000000 ] - [ -0.0003184700000000, -0.0004565000000000, 0.0004760800000000 ] - [ -0.0002086300000000, 0.0004761200000000, -0.0014524600000000 ] - [ 0.0000035400000000, -0.0006945700000000, 0.0000738500000000 ] - [ 0.0000002800000000, -0.0001959600000000, 0.0001417400000000 ] - [ -0.0001197800000000, -0.0005204700000000, 0.0001066200000000 ] - [ 0.0000427000000000, -0.0000851700000000, -0.0001624200000000 ] - [ -0.0000278700000000, -0.0001700900000000, 0.0001161800000000 ] - [ 0.0002063200000000, 0.0001134300000000, -0.0003371000000000 ] - [ 0.0005274700000000, -0.0001798700000000, 0.0018146200000000 ] - [ 0.0007761600000000, 0.0004985500000000, 0.0024862600000000 ] - [ 0.0001160500000000, 0.0006840300000000, -0.0001136400000000 ] - [ 0.0001200100000000, 0.0000778900000000, -0.0000103500000000 ] - [ 0.0026019600000000, -0.0016578700000000, -0.0004034200000000 ] - [ 0.0010349000000000, 0.0003380300000000, -0.0006445900000000 ] - [ -0.0000288500000000, 0.0004502600000000, 0.0003030000000000 ] - [ -0.0000292400000000, -0.0001625700000000, -0.0000906600000000 ] - [ -0.0014302900000000, -0.0042641300000000, -0.0043715200000000 ] - [ -0.0002891400000000, 0.0000840800000000, -0.0003189700000000 ] - [ 0.0006639900000000, 0.0019513500000000, -0.0005576900000000 ] - [ -0.0000099600000000, 0.0001419800000000, 0.0002047900000000 ] - [ -0.0005073000000000, 0.0022496300000000, -0.0004361600000000 ] - [ -0.0001004500000000, 0.0014584100000000, -0.0006283500000000 ] - [ -0.0000423300000000, -0.0004005100000000, -0.0002342900000000 ]- atom: 9 displacement: [ -0.0000185648863736, 0.0000000000000000, 0.0099999827672348 ] forces: - [ -0.0000468900000000, 0.0001722100000000, 0.0007306100000000 ] - [ -0.0002464200000000, -0.0002433500000000, 0.0004524000000000 ] - [ 0.0002898400000000, 0.0003354600000000, 0.0004849000000000 ] - [ 0.0000041400000000, 0.0000417000000000, -0.0005626700000000 ] - [ -0.0000329700000000, -0.0000850100000000, 0.0001327200000000 ] - [ 0.0004981000000000, -0.0002637500000000, -0.0023585400000000 ] - [ 0.0006954500000000, 0.0004965500000000, -0.0014478900000000 ] - [ 0.0001571900000000, -0.0026751700000000, 0.0022954800000000 ] - [ -0.0018134400000000, -0.0081162400000000, -0.0334112000000000 ] - [ -0.0000250800000000, 0.0001917500000000, -0.0006724900000000 ] - [ -0.0031788400000000, 0.0004196200000000, 0.0017759000000000 ] - [ -0.0001289700000000, -0.0002302700000000, -0.0002216300000000 ] - [ -0.0001112400000000, -0.0002720500000000, 0.0002806600000000 ] - [ 0.0000433800000000, -0.0002284300000000, 0.0003630300000000 ] - [ 0.0002027000000000, -0.0001166900000000, -0.0002155700000000 ] - [ -0.0001124900000000, 0.0000483200000000, 0.0002522700000000 ] - [ 0.0000491600000000, -0.0001173600000000, 0.0001122900000000 ] - [ -0.0024761200000000, -0.0002135300000000, 0.0015652600000000 ] - [ -0.0000716300000000, 0.0003097900000000, 0.0006213200000000 ] - [ -0.0000209400000000, 0.0002150400000000, 0.0001383900000000 ] - [ -0.0000356800000000, 0.0002970700000000, -0.0000394700000000 ] - [ 0.0000045900000000, 0.0000101400000000, 0.0003061300000000 ] - [ 0.0000037700000000, 0.0000590200000000, 0.0000044100000000 ] - [ 0.0000207000000000, 0.0025815500000000, 0.0028857400000000 ] - [ 0.0000033400000000, -0.0000236000000000, 0.0001916600000000 ] - [ -0.0003146200000000, 0.0001075900000000, -0.0004883300000000 ] - [ -0.0000042200000000, -0.0001457700000000, 0.0001792200000000 ] - [ 0.0000056200000000, -0.0001455700000000, 0.0004104500000000 ] - [ 0.0031244700000000, -0.0001413000000000, 0.0018889500000000 ] - [ 0.0000296200000000, -0.0002211700000000, 0.0001438800000000 ] - [ -0.0001268300000000, -0.0001310200000000, 0.0004319600000000 ] - [ 0.0003105900000000, 0.0001342300000000, -0.0002575600000000 ] - [ -0.0001439600000000, 0.0001112100000000, 0.0000195300000000 ] - [ 0.0000844700000000, -0.0000887300000000, 0.0004523400000000 ] - [ 0.0000368400000000, -0.0001753100000000, 0.0003899700000000 ] - [ 0.0000288900000000, 0.0000932500000000, -0.0005439200000000 ] - [ 0.0016279000000000, 0.0001253400000000, 0.0010506900000000 ] - [ -0.0000175400000000, 0.0002656400000000, 0.0001818800000000 ] - [ -0.0000233100000000, 0.0000465400000000, 0.0001524900000000 ] - [ 0.0000828500000000, 0.0000216200000000, 0.0001390400000000 ] - [ 0.0002703700000000, -0.0001627900000000, -0.0000067900000000 ] - [ 0.0000185000000000, -0.0000278900000000, 0.0002506400000000 ] - [ -0.0000928000000000, -0.0002418700000000, 0.0001757800000000 ] - [ -0.0000038600000000, -0.0003225600000000, 0.0000579200000000 ] - [ 0.0000004800000000, 0.0001345700000000, 0.0003901900000000 ] - [ -0.0000739000000000, -0.0000085000000000, 0.0002509200000000 ] - [ 0.0002396700000000, 0.0000211400000000, 0.0001845100000000 ] - [ -0.0000218800000000, -0.0001199700000000, -0.0006515100000000 ] - [ 0.0003874400000000, -0.0000513900000000, 0.0006015100000000 ] - [ 0.0002778300000000, -0.0000328700000000, 0.0009270100000000 ] - [ -0.0018020900000000, 0.0002094300000000, -0.0000854000000000 ] - [ 0.0027846800000000, 0.0019455200000000, -0.0023119100000000 ] - [ 0.0001093000000000, 0.0001298900000000, -0.0004474500000000 ] - [ -0.0017788000000000, 0.0019586900000000, -0.0013142200000000 ] - [ -0.0001548200000000, 0.0001855800000000, 0.0005634500000000 ] - [ -0.0002869400000000, -0.0003105000000000, 0.0004850500000000 ] - [ -0.0001884400000000, 0.0000273400000000, -0.0004109300000000 ] - [ -0.0023905900000000, 0.0041654000000000, 0.0024894700000000 ] - [ 0.0001157200000000, -0.0003145700000000, 0.0004930300000000 ] - [ 0.0003034200000000, 0.0001378700000000, 0.0017002300000000 ] - [ -0.0020408400000000, -0.0051687800000000, 0.0029619200000000 ] - [ -0.0013328700000000, -0.0000261600000000, 0.0004599300000000 ] - [ 0.0003964500000000, 0.0000001400000000, 0.0015616100000000 ] - [ -0.0000529800000000, -0.0000444600000000, 0.0010195000000000 ] - [ -0.0007135000000000, -0.0020883100000000, 0.0014499400000000 ] - [ 0.0000915300000000, -0.0003162700000000, 0.0008939100000000 ] - [ 0.0000383500000000, -0.0005369500000000, -0.0006761200000000 ] - [ 0.0001783800000000, 0.0004836300000000, 0.0005624100000000 ] - [ 0.0004518900000000, -0.0003870300000000, -0.0002904900000000 ] - [ -0.0002811300000000, 0.0003252600000000, -0.0005685100000000 ] - [ -0.0002238900000000, 0.0003604700000000, -0.0004181700000000 ] - [ -0.0004171900000000, 0.0001127100000000, -0.0000001100000000 ] - [ -0.0000863900000000, -0.0002125400000000, 0.0003226300000000 ] - [ -0.0001023800000000, 0.0001165200000000, -0.0005042300000000 ] - [ 0.0000943600000000, 0.0003587100000000, -0.0002997300000000 ] - [ -0.0004451500000000, -0.0002432400000000, -0.0004703800000000 ] - [ 0.0002595900000000, 0.0009028900000000, -0.0008220600000000 ] - [ 0.0030155800000000, -0.0002779600000000, 0.0004563200000000 ] - [ 0.0001838800000000, -0.0002891400000000, -0.0004267000000000 ] - [ 0.0001236300000000, -0.0001904600000000, -0.0002116900000000 ] - [ -0.0000778400000000, 0.0002328000000000, 0.0001341800000000 ] - [ 0.0008828300000000, 0.0025431300000000, 0.0043319300000000 ] - [ -0.0001042800000000, 0.0002889800000000, -0.0003083500000000 ] - [ 0.0002402500000000, -0.0000955200000000, -0.0013390600000000 ] - [ 0.0002618600000000, -0.0001345400000000, -0.0005479200000000 ] - [ -0.0003233000000000, 0.0008218700000000, 0.0024491000000000 ] - [ -0.0000209700000000, 0.0004794600000000, 0.0026555300000000 ] - [ -0.0003674500000000, -0.0001803600000000, -0.0012707000000000 ] - [ 0.0000124000000000, -0.0002023000000000, 0.0004493700000000 ] - [ -0.0002317800000000, -0.0001076700000000, -0.0002385400000000 ] - [ -0.0006578600000000, 0.0004611000000000, -0.0033201200000000 ] - [ -0.0000615700000000, 0.0003971000000000, 0.0005467100000000 ] - [ -0.0000690700000000, -0.0004017900000000, -0.0003337900000000 ] - [ 0.0002555800000000, 0.0000752500000000, -0.0006578200000000 ] - [ 0.0000778700000000, -0.0001159500000000, -0.0004154200000000 ] - [ 0.0000830100000000, 0.0000173100000000, -0.0004357800000000 ] - [ 0.0003488500000000, 0.0000775400000000, -0.0010303700000000 ] - [ -0.0007995900000000, -0.0001256800000000, -0.0028373300000000 ] - [ -0.0002117800000000, -0.0002460500000000, 0.0010795400000000 ] - [ 0.0001854600000000, -0.0008140300000000, 0.0005573800000000 ] - [ 0.0000160500000000, 0.0002317900000000, -0.0005420400000000 ] - [ 0.0005837200000000, 0.0013822800000000, 0.0034874400000000 ] - [ 0.0033375900000000, 0.0004458700000000, 0.0000458100000000 ] - [ 0.0001230100000000, -0.0006900400000000, -0.0004258300000000 ] - [ -0.0000727700000000, -0.0002758000000000, -0.0005092300000000 ] - [ 0.0026411100000000, 0.0020875700000000, 0.0107396000000000 ] - [ -0.0004270100000000, -0.0001796500000000, -0.0001770000000000 ] - [ -0.0000039100000000, -0.0002169000000000, 0.0005255400000000 ] - [ -0.0000954700000000, -0.0003655400000000, -0.0001551000000000 ] - [ 0.0001219000000000, -0.0004667400000000, 0.0006030600000000 ] - [ -0.0011067700000000, 0.0020983000000000, 0.0012465200000000 ] - [ 0.0002369100000000, 0.0003272800000000, -0.0004630900000000 ]- atom: 9 displacement: [ 0.0000185648863736, 0.0000000000000000, -0.0099999827672348 ] forces: - [ 0.0000722300000000, 0.0000840800000000, -0.0003122600000000 ] - [ -0.0002721500000000, -0.0003383700000000, -0.0005469300000000 ] - [ 0.0002305200000000, 0.0002534400000000, -0.0003285300000000 ] - [ -0.0000259900000000, 0.0002089600000000, 0.0001352100000000 ] - [ 0.0000119800000000, -0.0001670600000000, -0.0005715300000000 ] - [ -0.0010281200000000, 0.0008628400000000, 0.0021777900000000 ] - [ -0.0006704200000000, -0.0007431000000000, 0.0018911600000000 ] - [ 0.0003645200000000, 0.0020691700000000, -0.0021654000000000 ] - [ 0.0019922500000000, 0.0089105500000000, 0.0337543200000000 ] - [ 0.0001669300000000, 0.0001092700000000, 0.0008880000000000 ] - [ 0.0031425000000000, 0.0001478600000000, -0.0018307700000000 ] - [ 0.0001152300000000, 0.0001835400000000, 0.0002080400000000 ] - [ -0.0001496900000000, 0.0002915200000000, -0.0001580200000000 ] - [ 0.0001574500000000, 0.0000065600000000, -0.0002026100000000 ] - [ -0.0000835000000000, 0.0003025700000000, 0.0000557800000000 ] - [ -0.0000331300000000, 0.0001110600000000, -0.0004232600000000 ] - [ 0.0000756700000000, -0.0000183500000000, -0.0002613500000000 ] - [ 0.0024716700000000, -0.0000115100000000, -0.0016078000000000 ] - [ -0.0000483100000000, -0.0001288600000000, -0.0004439900000000 ] - [ 0.0000239100000000, 0.0003402500000000, -0.0000798500000000 ] - [ 0.0000571100000000, 0.0000523400000000, 0.0005143800000000 ] - [ -0.0001259100000000, -0.0001749000000000, -0.0001495200000000 ] - [ 0.0000053900000000, -0.0000151500000000, 0.0000156800000000 ] - [ -0.0000540600000000, -0.0021552000000000, -0.0028178900000000 ] - [ -0.0000111200000000, 0.0000735200000000, -0.0002136000000000 ] - [ 0.0001987300000000, -0.0003750600000000, 0.0002983000000000 ] - [ -0.0000300700000000, -0.0002516300000000, -0.0001607700000000 ] - [ 0.0000171200000000, -0.0002093300000000, 0.0000571300000000 ] - [ -0.0029974200000000, 0.0003294400000000, -0.0017313700000000 ] - [ -0.0000330700000000, -0.0003448300000000, -0.0002101200000000 ] - [ -0.0001339700000000, 0.0000948800000000, -0.0003379600000000 ] - [ -0.0002215100000000, -0.0002133600000000, 0.0004172700000000 ] - [ 0.0001220000000000, 0.0002325000000000, -0.0004916300000000 ] - [ 0.0000201900000000, -0.0001622000000000, -0.0002727300000000 ] - [ -0.0000289400000000, -0.0000921000000000, -0.0003954600000000 ] - [ -0.0001345100000000, -0.0000038100000000, 0.0003875300000000 ] - [ -0.0013530900000000, -0.0000985500000000, -0.0011441600000000 ] - [ -0.0001175500000000, 0.0000487100000000, -0.0003947500000000 ] - [ 0.0000306900000000, -0.0000847200000000, -0.0001357700000000 ] - [ 0.0001785000000000, -0.0000823400000000, -0.0002114400000000 ] - [ -0.0002926000000000, -0.0001940700000000, -0.0004663300000000 ] - [ -0.0000758900000000, 0.0002043900000000, -0.0002935600000000 ] - [ 0.0001273700000000, -0.0001522600000000, -0.0001852200000000 ] - [ 0.0000050700000000, -0.0002403300000000, 0.0000127900000000 ] - [ 0.0001137400000000, -0.0000405700000000, -0.0002214800000000 ] - [ -0.0000105600000000, -0.0000402500000000, -0.0004271200000000 ] - [ -0.0002047800000000, 0.0003679700000000, -0.0002146200000000 ] - [ -0.0001450900000000, -0.0000755000000000, 0.0004953200000000 ] - [ 0.0000439400000000, -0.0001991300000000, -0.0003236300000000 ] - [ 0.0003035300000000, -0.0001888800000000, -0.0006061700000000 ] - [ 0.0012349300000000, -0.0004244600000000, -0.0002794800000000 ] - [ -0.0029528500000000, -0.0018075700000000, 0.0027935600000000 ] - [ 0.0000969000000000, 0.0002596600000000, 0.0001810000000000 ] - [ 0.0023408300000000, -0.0017704100000000, 0.0016512900000000 ] - [ -0.0004039600000000, 0.0000419800000000, -0.0009122300000000 ] - [ -0.0001648300000000, 0.0000661200000000, -0.0007712000000000 ] - [ -0.0002461500000000, 0.0001891800000000, 0.0001555900000000 ] - [ 0.0025418800000000, -0.0043662800000000, -0.0030299800000000 ] - [ 0.0000881800000000, -0.0001036500000000, -0.0007841400000000 ] - [ -0.0004919200000000, -0.0005652200000000, -0.0014113400000000 ] - [ 0.0017845700000000, 0.0055827100000000, -0.0026161900000000 ] - [ 0.0018076500000000, 0.0002746300000000, -0.0001426900000000 ] - [ -0.0002760200000000, 0.0001861500000000, -0.0020440300000000 ] - [ -0.0001069700000000, -0.0001471200000000, -0.0005698500000000 ] - [ 0.0004809500000000, 0.0020699600000000, -0.0014892100000000 ] - [ -0.0002165200000000, 0.0005265500000000, -0.0010853600000000 ] - [ -0.0002589100000000, 0.0004997200000000, 0.0006104900000000 ] - [ -0.0001964100000000, -0.0003237000000000, -0.0007305100000000 ] - [ -0.0005205600000000, -0.0001279900000000, 0.0004825000000000 ] - [ 0.0003857600000000, -0.0005318500000000, 0.0002896200000000 ] - [ 0.0000034900000000, -0.0003305600000000, 0.0005539900000000 ] - [ 0.0003226800000000, 0.0000815800000000, 0.0005049200000000 ] - [ -0.0000715600000000, -0.0002368400000000, 0.0001943700000000 ] - [ 0.0000272000000000, -0.0003407300000000, 0.0002949500000000 ] - [ -0.0000337700000000, -0.0001600000000000, -0.0000025800000000 ] - [ 0.0005950200000000, -0.0002050800000000, -0.0000431000000000 ] - [ -0.0002253100000000, -0.0003535700000000, 0.0007342200000000 ] - [ -0.0031011700000000, 0.0000817000000000, -0.0000067500000000 ] - [ 0.0000292000000000, 0.0003382900000000, 0.0005112900000000 ] - [ -0.0001844000000000, 0.0004153600000000, 0.0003128800000000 ] - [ -0.0000786000000000, 0.0002204800000000, 0.0003789700000000 ] - [ -0.0007536000000000, -0.0025463700000000, -0.0036806100000000 ] - [ 0.0000573100000000, -0.0001933600000000, 0.0000644600000000 ] - [ -0.0003740800000000, -0.0001200600000000, 0.0011558700000000 ] - [ -0.0001202100000000, -0.0000801200000000, 0.0007029700000000 ] - [ 0.0004006400000000, -0.0006341000000000, -0.0029259300000000 ] - [ 0.0002364200000000, -0.0004370100000000, -0.0027995300000000 ] - [ 0.0002408300000000, -0.0002701300000000, 0.0012266700000000 ] - [ -0.0001293100000000, 0.0004717600000000, -0.0001886400000000 ] - [ 0.0002356700000000, 0.0006249100000000, 0.0003547900000000 ] - [ 0.0007936400000000, -0.0000246900000000, 0.0033966200000000 ] - [ -0.0001457500000000, -0.0003985500000000, -0.0003871400000000 ] - [ 0.0000606600000000, 0.0002420700000000, 0.0005414600000000 ] - [ -0.0001380600000000, -0.0006038800000000, 0.0004162400000000 ] - [ 0.0000191300000000, -0.0000883300000000, -0.0000026400000000 ] - [ -0.0001159600000000, -0.0005185500000000, 0.0005519900000000 ] - [ -0.0002306500000000, 0.0001331300000000, 0.0012399900000000 ] - [ 0.0009181400000000, -0.0003228500000000, 0.0028536300000000 ] - [ 0.0000819500000000, 0.0006815400000000, -0.0011227600000000 ] - [ -0.0001698700000000, 0.0006085600000000, -0.0007300000000000 ] - [ 0.0002169900000000, -0.0002782000000000, 0.0004171000000000 ] - [ -0.0005980600000000, -0.0008749100000000, -0.0034207200000000 ] - [ -0.0031776100000000, 0.0000043200000000, -0.0005690700000000 ] - [ -0.0000339800000000, 0.0005900500000000, 0.0006205900000000 ] - [ 0.0000898500000000, 0.0004543900000000, 0.0003106100000000 ] - [ -0.0027425200000000, -0.0029254600000000, -0.0114482700000000 ] - [ 0.0004546200000000, -0.0000183200000000, 0.0003466000000000 ] - [ 0.0002267900000000, 0.0002349600000000, -0.0004746400000000 ] - [ -0.0000125700000000, 0.0001499200000000, 0.0004267800000000 ] - [ -0.0001311800000000, 0.0006528500000000, -0.0004131000000000 ] - [ 0.0011857700000000, -0.0016280900000000, -0.0014330600000000 ] - [ -0.0003211100000000, -0.0004085700000000, 0.0002676600000000 ]- atom: 10 displacement: [ 0.0099999995909515, 0.0000000000000000, -0.0000028602394792 ] forces: - [ 0.0000044000000000, 0.0001275600000000, 0.0002477400000000 ] - [ -0.0002587200000000, -0.0002950400000000, -0.0000360700000000 ] - [ 0.0001539100000000, 0.0002989600000000, 0.0000919300000000 ] - [ 0.0008375200000000, 0.0001280400000000, -0.0002347000000000 ] - [ 0.0000431400000000, -0.0001232200000000, -0.0001992700000000 ] - [ 0.0012213900000000, 0.0029846300000000, 0.0003116400000000 ] - [ 0.0023794400000000, -0.0035428600000000, 0.0012095600000000 ] - [ -0.0003546400000000, -0.0003033600000000, 0.0000502000000000 ] - [ -0.0004971500000000, 0.0001172400000000, -0.0001052000000000 ] - [ -0.0236919000000000, 0.0010957800000000, -0.0019633900000000 ] - [ -0.0000310200000000, 0.0004242900000000, -0.0002722300000000 ] - [ 0.0017525500000000, -0.0002053700000000, -0.0020811100000000 ] - [ -0.0003364900000000, -0.0000042500000000, 0.0000416900000000 ] - [ 0.0000796500000000, -0.0001232600000000, 0.0000579800000000 ] - [ 0.0029223700000000, -0.0000290100000000, 0.0033970800000000 ] - [ -0.0000841900000000, 0.0000956400000000, -0.0000638100000000 ] - [ 0.0000611300000000, -0.0000931700000000, -0.0000724000000000 ] - [ -0.0000698600000000, -0.0001847300000000, -0.0002639000000000 ] - [ -0.0001451100000000, 0.0001130200000000, 0.0001193500000000 ] - [ 0.0001037300000000, 0.0002742000000000, 0.0000521000000000 ] - [ 0.0004787000000000, 0.0002027000000000, 0.0001881300000000 ] - [ -0.0001246900000000, -0.0000867500000000, 0.0001148500000000 ] - [ 0.0000316100000000, 0.0000245200000000, 0.0000337900000000 ] - [ -0.0003046100000000, 0.0002340300000000, -0.0000035900000000 ] - [ 0.0000007200000000, 0.0000198500000000, 0.0000020000000000 ] - [ 0.0016144700000000, -0.0000033500000000, -0.0029900700000000 ] - [ -0.0000390200000000, -0.0001816300000000, 0.0000148500000000 ] - [ 0.0000206000000000, -0.0001571600000000, 0.0002434400000000 ] - [ 0.0000708100000000, 0.0000292400000000, 0.0003725700000000 ] - [ -0.0000004900000000, -0.0002857100000000, -0.0000213100000000 ] - [ -0.0001412700000000, -0.0000417400000000, 0.0000899800000000 ] - [ 0.0019032100000000, -0.0000226200000000, 0.0028708100000000 ] - [ -0.0000193100000000, 0.0001211600000000, -0.0002554500000000 ] - [ 0.0000557700000000, -0.0001372500000000, 0.0001243300000000 ] - [ 0.0000161300000000, -0.0001130800000000, 0.0000289100000000 ] - [ 0.0012076900000000, 0.0000471700000000, -0.0001331400000000 ] - [ 0.0001645300000000, -0.0000329900000000, 0.0001532300000000 ] - [ -0.0000514700000000, 0.0001186800000000, -0.0000456400000000 ] - [ 0.0000727800000000, -0.0000014300000000, 0.0000265800000000 ] - [ 0.0001315700000000, -0.0000160000000000, -0.0000566200000000 ] - [ -0.0000193700000000, -0.0001445100000000, -0.0001824000000000 ] - [ -0.0000153800000000, 0.0001236800000000, 0.0000533000000000 ] - [ 0.0000115900000000, -0.0001878800000000, -0.0000058600000000 ] - [ 0.0000172000000000, -0.0003008100000000, 0.0000546900000000 ] - [ 0.0000450900000000, 0.0000750300000000, 0.0000674800000000 ] - [ -0.0000430900000000, -0.0000378800000000, -0.0000713100000000 ] - [ 0.0000302600000000, 0.0002852400000000, 0.0000892100000000 ] - [ 0.0005530200000000, -0.0001166200000000, -0.0001567600000000 ] - [ 0.0002350100000000, -0.0001085100000000, 0.0001959100000000 ] - [ 0.0002560800000000, -0.0001052300000000, 0.0002457100000000 ] - [ -0.0001383700000000, 0.0000939700000000, -0.0002148200000000 ] - [ -0.0016137100000000, -0.0109332700000000, 0.0035413300000000 ] - [ 0.0005579900000000, 0.0001601800000000, 0.0009960300000000 ] - [ -0.0005286900000000, 0.0120200300000000, -0.0034220000000000 ] - [ -0.0002443500000000, 0.0001211200000000, -0.0001155100000000 ] - [ -0.0001074100000000, -0.0000085900000000, -0.0000372100000000 ] - [ 0.0003121000000000, 0.0001757900000000, -0.0012798900000000 ] - [ 0.0005783200000000, -0.0001364400000000, -0.0006384200000000 ] - [ 0.0002320400000000, -0.0003188400000000, -0.0001698600000000 ] - [ -0.0001020900000000, -0.0002031900000000, 0.0002107300000000 ] - [ 0.0003471100000000, 0.0004096300000000, -0.0000810700000000 ] - [ 0.0003815200000000, 0.0001591400000000, 0.0000945900000000 ] - [ 0.0000733700000000, 0.0001228200000000, -0.0000857200000000 ] - [ -0.0001016000000000, -0.0000971000000000, 0.0002582700000000 ] - [ 0.0026991000000000, -0.0003218700000000, 0.0005361000000000 ] - [ -0.0005654700000000, -0.0002430100000000, 0.0019353300000000 ] - [ -0.0000589900000000, -0.0000842100000000, -0.0000779000000000 ] - [ -0.0008779000000000, -0.0000211900000000, -0.0002401600000000 ] - [ -0.0000227700000000, -0.0001511100000000, 0.0003118800000000 ] - [ 0.0000669500000000, -0.0001165600000000, -0.0001477900000000 ] - [ -0.0001582600000000, 0.0000512000000000, 0.0000516700000000 ] - [ -0.0000978500000000, 0.0000831400000000, 0.0002017800000000 ] - [ -0.0002461300000000, -0.0002176700000000, 0.0002665400000000 ] - [ -0.0000206800000000, -0.0000894600000000, -0.0001140100000000 ] - [ 0.0000769800000000, 0.0002966900000000, 0.0000792900000000 ] - [ 0.0000670600000000, -0.0002237100000000, -0.0002789800000000 ] - [ 0.0000652800000000, 0.0003067200000000, -0.0000887500000000 ] - [ -0.0002065800000000, -0.0000896200000000, 0.0005444100000000 ] - [ 0.0000971700000000, 0.0000106000000000, -0.0000008800000000 ] - [ 0.0001918600000000, -0.0001597700000000, 0.0003511900000000 ] - [ -0.0010533400000000, 0.0002074200000000, 0.0002278300000000 ] - [ 0.0000810900000000, -0.0003576300000000, 0.0002615000000000 ] - [ 0.0000032300000000, -0.0000824600000000, -0.0003334400000000 ] - [ -0.0000324100000000, -0.0000977700000000, -0.0002423300000000 ] - [ 0.0001012100000000, -0.0001061200000000, -0.0000178400000000 ] - [ 0.0093294200000000, -0.0002140100000000, -0.0003878100000000 ] - [ -0.0003977100000000, -0.0010955600000000, -0.0003695100000000 ] - [ -0.0000738000000000, -0.0002171100000000, -0.0000412200000000 ] - [ -0.0004655400000000, 0.0000325400000000, 0.0001208300000000 ] - [ 0.0001715200000000, 0.0005024900000000, -0.0001927400000000 ] - [ -0.0000690000000000, 0.0002649100000000, -0.0002819300000000 ] - [ -0.0006651700000000, -0.0000002500000000, -0.0003231800000000 ] - [ -0.0000032500000000, -0.0001090800000000, 0.0000721200000000 ] - [ 0.0000431600000000, -0.0002402300000000, -0.0001221900000000 ] - [ 0.0001039900000000, -0.0000952200000000, -0.0002467500000000 ] - [ -0.0000219600000000, -0.0002475700000000, 0.0000080300000000 ] - [ 0.0000907700000000, 0.0001115000000000, -0.0000067300000000 ] - [ -0.0000779600000000, -0.0002697500000000, -0.0001228700000000 ] - [ -0.0006445000000000, 0.0004639200000000, -0.0019087000000000 ] - [ -0.0006443200000000, -0.0001505300000000, -0.0001575600000000 ] - [ 0.0001072800000000, -0.0000006100000000, -0.0000943800000000 ] - [ -0.0004464500000000, 0.0012755700000000, 0.0005371200000000 ] - [ 0.0001663200000000, 0.0004198700000000, 0.0001508300000000 ] - [ 0.0000412600000000, -0.0000807400000000, 0.0000643200000000 ] - [ -0.0000361800000000, 0.0000423200000000, -0.0001195800000000 ] - [ 0.0002758700000000, 0.0001207300000000, 0.0001102700000000 ] - [ -0.0000289400000000, -0.0002878600000000, -0.0002033000000000 ] - [ 0.0010048200000000, 0.0050374200000000, -0.0012189100000000 ] - [ -0.0000500500000000, -0.0001446700000000, 0.0001020300000000 ] - [ -0.0004258600000000, -0.0052110700000000, 0.0014699000000000 ] - [ 0.0026992200000000, -0.0000177100000000, -0.0003580100000000 ] - [ 0.0000129800000000, -0.0000034300000000, -0.0000967800000000 ]- atom: 10 displacement: [ -0.0099999995909515, 0.0000000000000000, 0.0000028602394792 ] forces: - [ 0.0000174900000000, 0.0001228200000000, 0.0001888800000000 ] - [ -0.0002653300000000, -0.0003003600000000, -0.0001041400000000 ] - [ 0.0003675900000000, 0.0002961200000000, 0.0000459700000000 ] - [ -0.0008593500000000, 0.0001205700000000, -0.0002000000000000 ] - [ -0.0000650200000000, -0.0001281500000000, -0.0002349000000000 ] - [ -0.0017463700000000, -0.0023661300000000, -0.0004467100000000 ] - [ -0.0023674700000000, 0.0033300400000000, -0.0007851600000000 ] - [ 0.0008765900000000, -0.0002886200000000, 0.0000949700000000 ] - [ 0.0005336600000000, 0.0001046200000000, 0.0001154600000000 ] - [ 0.0238360100000000, -0.0005039700000000, 0.0020809700000000 ] - [ 0.0000301300000000, 0.0001384200000000, 0.0001955300000000 ] - [ -0.0017640400000000, 0.0001720000000000, 0.0020783200000000 ] - [ 0.0000782700000000, 0.0000584300000000, 0.0000758300000000 ] - [ 0.0000963300000000, -0.0000723900000000, 0.0001127700000000 ] - [ -0.0027793700000000, 0.0001932300000000, -0.0035166800000000 ] - [ -0.0000926400000000, 0.0000999400000000, -0.0001058500000000 ] - [ 0.0000623700000000, -0.0000759200000000, -0.0000898900000000 ] - [ 0.0000314000000000, -0.0000368800000000, 0.0002527800000000 ] - [ 0.0000205800000000, 0.0000524700000000, 0.0000437200000000 ] - [ -0.0001023400000000, 0.0002898600000000, 0.0000273500000000 ] - [ -0.0004548500000000, 0.0001279400000000, 0.0002785800000000 ] - [ 0.0000014700000000, -0.0000787500000000, 0.0000496400000000 ] - [ -0.0000353500000000, 0.0000072000000000, -0.0000062700000000 ] - [ 0.0002700200000000, 0.0001398100000000, 0.0000134700000000 ] - [ 0.0000005900000000, 0.0000133400000000, -0.0000288100000000 ] - [ -0.0017261100000000, -0.0002790700000000, 0.0027652700000000 ] - [ 0.0000049800000000, -0.0001896300000000, -0.0000039500000000 ] - [ 0.0000005500000000, -0.0001647800000000, 0.0002200100000000 ] - [ 0.0001064600000000, 0.0001688600000000, -0.0002053600000000 ] - [ -0.0000008800000000, -0.0002770800000000, -0.0000558500000000 ] - [ -0.0001167500000000, -0.0000126600000000, 0.0000293800000000 ] - [ -0.0018178100000000, -0.0000667900000000, -0.0027047900000000 ] - [ -0.0000025200000000, 0.0002012600000000, -0.0002086300000000 ] - [ 0.0000642100000000, -0.0001457200000000, 0.0000756900000000 ] - [ 0.0000201200000000, -0.0001066600000000, -0.0000190600000000 ] - [ -0.0013035500000000, 0.0000364500000000, -0.0000644200000000 ] - [ 0.0000921900000000, 0.0000878700000000, -0.0002729300000000 ] - [ -0.0000675500000000, 0.0001621500000000, -0.0001549900000000 ] - [ -0.0000759900000000, -0.0000318500000000, 0.0000014000000000 ] - [ 0.0001257300000000, -0.0000399400000000, -0.0000642100000000 ] - [ -0.0000027800000000, -0.0001834700000000, -0.0002851300000000 ] - [ -0.0000210300000000, 0.0000958000000000, -0.0000613300000000 ] - [ 0.0000212200000000, -0.0001858200000000, -0.0000044500000000 ] - [ -0.0000150600000000, -0.0002628900000000, 0.0000217600000000 ] - [ 0.0000523300000000, 0.0000015500000000, 0.0001181500000000 ] - [ -0.0000543200000000, -0.0000406000000000, -0.0001134700000000 ] - [ 0.0000016100000000, 0.0000883100000000, -0.0000990500000000 ] - [ -0.0007297300000000, -0.0000783000000000, -0.0000111500000000 ] - [ 0.0002198800000000, -0.0001299100000000, 0.0000816800000000 ] - [ 0.0003221500000000, -0.0001188400000000, 0.0000993100000000 ] - [ -0.0004450300000000, -0.0003106600000000, -0.0001330600000000 ] - [ 0.0015118600000000, 0.0110542800000000, -0.0030545700000000 ] - [ -0.0003668700000000, 0.0002598000000000, -0.0012594100000000 ] - [ 0.0010571900000000, -0.0118851600000000, 0.0037903400000000 ] - [ -0.0003402200000000, 0.0001021500000000, -0.0002262900000000 ] - [ -0.0003461900000000, -0.0002254600000000, -0.0002383700000000 ] - [ -0.0007652100000000, 0.0000572600000000, 0.0010088600000000 ] - [ -0.0004412300000000, -0.0000750500000000, 0.0001754300000000 ] - [ -0.0000375200000000, -0.0001014600000000, -0.0001013100000000 ] - [ -0.0000904300000000, -0.0002183800000000, 0.0000639100000000 ] - [ -0.0005258200000000, -0.0000047600000000, 0.0003417400000000 ] - [ 0.0000779400000000, 0.0000762400000000, 0.0001865600000000 ] - [ 0.0000746600000000, 0.0000741000000000, -0.0003901000000000 ] - [ -0.0000464100000000, -0.0001007000000000, 0.0002173300000000 ] - [ -0.0028945200000000, 0.0003672200000000, -0.0005761900000000 ] - [ 0.0004370900000000, 0.0004437900000000, -0.0021401900000000 ] - [ -0.0001393100000000, 0.0000335400000000, 0.0000159700000000 ] - [ 0.0008665900000000, 0.0002277300000000, 0.0000654400000000 ] - [ -0.0000211700000000, -0.0003713100000000, -0.0001233100000000 ] - [ 0.0000105700000000, -0.0001174300000000, -0.0001109500000000 ] - [ -0.0000769300000000, -0.0000232000000000, 0.0000942400000000 ] - [ -0.0000078100000000, 0.0001102100000000, 0.0002594900000000 ] - [ 0.0000894000000000, -0.0002233900000000, 0.0002585600000000 ] - [ 0.0000139800000000, -0.0001221800000000, -0.0000557000000000 ] - [ 0.0000007200000000, -0.0000646400000000, -0.0003384700000000 ] - [ 0.0000865700000000, -0.0002183100000000, -0.0002466300000000 ] - [ -0.0000257000000000, 0.0002215100000000, 0.0000007600000000 ] - [ 0.0001132100000000, -0.0001047000000000, -0.0000796600000000 ] - [ 0.0000998200000000, 0.0000411900000000, 0.0000649100000000 ] - [ -0.0001883400000000, 0.0003752600000000, -0.0001838000000000 ] - [ 0.0008971100000000, 0.0002336100000000, 0.0002976500000000 ] - [ -0.0000245300000000, 0.0004596000000000, -0.0000731700000000 ] - [ -0.0000561100000000, 0.0001759600000000, 0.0001417000000000 ] - [ -0.0000991400000000, -0.0001011300000000, 0.0000444700000000 ] - [ 0.0000288000000000, -0.0000927200000000, 0.0002189800000000 ] - [ -0.0092256000000000, 0.0004262800000000, -0.0000841400000000 ] - [ 0.0006365700000000, 0.0011222000000000, 0.0002240300000000 ] - [ -0.0000559900000000, -0.0002197600000000, -0.0000324500000000 ] - [ 0.0003858600000000, 0.0002013500000000, 0.0001366000000000 ] - [ -0.0002145100000000, 0.0000239300000000, 0.0003787400000000 ] - [ 0.0001989200000000, 0.0001705500000000, 0.0003630700000000 ] - [ 0.0004321500000000, -0.0000302900000000, 0.0004733800000000 ] - [ 0.0000069300000000, -0.0000532400000000, 0.0001145500000000 ] - [ 0.0000012600000000, -0.0002822900000000, -0.0000659800000000 ] - [ 0.0000033500000000, -0.0000977200000000, -0.0002150700000000 ] - [ -0.0000184600000000, -0.0002807800000000, 0.0000812500000000 ] - [ 0.0000408100000000, 0.0000871300000000, 0.0002006700000000 ] - [ 0.0002052300000000, -0.0001662500000000, 0.0001864500000000 ] - [ 0.0005101900000000, -0.0000258300000000, 0.0018263000000000 ] - [ 0.0006427300000000, -0.0000166300000000, -0.0000229800000000 ] - [ 0.0001268200000000, -0.0000281700000000, -0.0000508200000000 ] - [ 0.0003997300000000, -0.0007472300000000, -0.0004457500000000 ] - [ -0.0000262100000000, 0.0000174800000000, -0.0006803200000000 ] - [ 0.0000122200000000, -0.0000157000000000, 0.0001260000000000 ] - [ 0.0000312700000000, 0.0001187400000000, -0.0000673000000000 ] - [ -0.0002420100000000, -0.0006470400000000, -0.0001956900000000 ] - [ 0.0000318900000000, 0.0000749100000000, 0.0003724000000000 ] - [ -0.0005810800000000, -0.0051952900000000, 0.0012744600000000 ] - [ -0.0000284500000000, -0.0000878600000000, 0.0001581100000000 ] - [ 0.0002295200000000, 0.0052953100000000, -0.0012777800000000 ] - [ -0.0026523500000000, 0.0005515000000000, 0.0001817000000000 ] - [ -0.0000655200000000, -0.0000919800000000, -0.0000942600000000 ]- atom: 10 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000309200000000, 0.0001242300000000, 0.0001692000000000 ] - [ -0.0002161300000000, -0.0003175000000000, -0.0001042700000000 ] - [ 0.0002564400000000, 0.0002541100000000, -0.0001252600000000 ] - [ -0.0000706200000000, 0.0000907500000000, 0.0003879800000000 ] - [ -0.0000036400000000, -0.0001259000000000, -0.0004189500000000 ] - [ 0.0029061700000000, 0.0029714700000000, 0.0004884500000000 ] - [ -0.0037385600000000, 0.0024680100000000, -0.0007451200000000 ] - [ 0.0002778400000000, 0.0006358000000000, 0.0021116300000000 ] - [ 0.0000048300000000, 0.0013135000000000, 0.0000293900000000 ] - [ 0.0008698500000000, -0.0286159000000000, 0.0060045100000000 ] - [ -0.0000396200000000, 0.0008932400000000, -0.0002028900000000 ] - [ -0.0002491700000000, -0.0010727300000000, 0.0000305900000000 ] - [ -0.0001785100000000, -0.0004663400000000, 0.0000445900000000 ] - [ 0.0000681200000000, -0.0002187900000000, -0.0000286400000000 ] - [ -0.0000398800000000, -0.0013696600000000, -0.0002518400000000 ] - [ -0.0000844600000000, 0.0000364100000000, -0.0001230800000000 ] - [ 0.0000852100000000, 0.0000089000000000, -0.0000810100000000 ] - [ 0.0000395000000000, 0.0004485500000000, 0.0002232300000000 ] - [ -0.0000357100000000, 0.0004073200000000, 0.0001189100000000 ] - [ 0.0000052800000000, 0.0000436600000000, 0.0000185100000000 ] - [ 0.0000228600000000, 0.0005372400000000, -0.0000528300000000 ] - [ -0.0000455100000000, -0.0004647900000000, 0.0000459800000000 ] - [ -0.0000061500000000, -0.0001589500000000, 0.0000475000000000 ] - [ -0.0000228500000000, 0.0007529600000000, -0.0004988300000000 ] - [ -0.0000165600000000, 0.0001140900000000, -0.0000052100000000 ] - [ 0.0000727100000000, -0.0013794400000000, 0.0000322100000000 ] - [ -0.0000161200000000, -0.0002607100000000, 0.0000499400000000 ] - [ 0.0000097800000000, -0.0002079900000000, 0.0002393800000000 ] - [ 0.0000268300000000, 0.0007038600000000, 0.0003335800000000 ] - [ -0.0000252500000000, -0.0003815300000000, -0.0000377400000000 ] - [ -0.0001360200000000, 0.0002578100000000, 0.0001133400000000 ] - [ 0.0001852100000000, -0.0012737100000000, 0.0004856100000000 ] - [ -0.0000871100000000, -0.0000148700000000, -0.0001737000000000 ] - [ 0.0000543200000000, -0.0000428300000000, 0.0000514100000000 ] - [ 0.0000187300000000, -0.0001938800000000, -0.0000411500000000 ] - [ -0.0000692100000000, -0.0008051200000000, -0.0000019600000000 ] - [ 0.0001897000000000, 0.0006063900000000, -0.0000545100000000 ] - [ -0.0000407700000000, 0.0002900800000000, -0.0001999000000000 ] - [ -0.0000046600000000, 0.0002396600000000, 0.0000120600000000 ] - [ 0.0001566000000000, -0.0001436200000000, -0.0000769300000000 ] - [ -0.0001304800000000, -0.0000040900000000, -0.0003533500000000 ] - [ 0.0000026200000000, -0.0000272600000000, -0.0001118400000000 ] - [ 0.0000916800000000, -0.0000821800000000, -0.0000665600000000 ] - [ 0.0000035300000000, -0.0001114900000000, 0.0000532100000000 ] - [ 0.0000171600000000, 0.0001853600000000, -0.0000020400000000 ] - [ -0.0000452800000000, 0.0000225500000000, -0.0001384200000000 ] - [ 0.0002373600000000, 0.0000153200000000, 0.0001799800000000 ] - [ -0.0000636800000000, 0.0007018900000000, -0.0000833800000000 ] - [ 0.0001341900000000, -0.0001884900000000, -0.0001186800000000 ] - [ 0.0002857100000000, -0.0000781800000000, 0.0002579700000000 ] - [ 0.0005637100000000, -0.0005005000000000, -0.0002761200000000 ] - [ -0.0094783000000000, 0.0092711200000000, -0.0022431000000000 ] - [ -0.0000539600000000, -0.0001265800000000, -0.0018302900000000 ] - [ 0.0103178300000000, 0.0082110400000000, -0.0030584500000000 ] - [ -0.0001567800000000, 0.0001868300000000, 0.0000528900000000 ] - [ -0.0002744900000000, 0.0000115100000000, 0.0000276100000000 ] - [ 0.0000608100000000, -0.0001329500000000, -0.0018035600000000 ] - [ 0.0008227100000000, 0.0029903600000000, -0.0024003500000000 ] - [ 0.0001651200000000, -0.0001094800000000, 0.0000315000000000 ] - [ -0.0002653600000000, -0.0003012400000000, -0.0008001000000000 ] - [ -0.0013157500000000, 0.0031565400000000, 0.0023664600000000 ] - [ -0.0007327900000000, 0.0003435000000000, 0.0001923700000000 ] - [ 0.0004294600000000, 0.0002188600000000, 0.0007093900000000 ] - [ -0.0000527900000000, -0.0000800000000000, 0.0003008900000000 ] - [ -0.0010066200000000, 0.0027967700000000, -0.0023893100000000 ] - [ -0.0008820900000000, -0.0001006900000000, 0.0023793800000000 ] - [ -0.0000460300000000, -0.0004809700000000, -0.0001790600000000 ] - [ -0.0001888200000000, 0.0008605200000000, -0.0001321500000000 ] - [ 0.0000841400000000, -0.0000418500000000, -0.0002393500000000 ] - [ -0.0000119200000000, -0.0003954400000000, -0.0002452600000000 ] - [ -0.0001709000000000, 0.0002385200000000, 0.0000843900000000 ] - [ -0.0003911700000000, 0.0001010700000000, 0.0002711000000000 ] - [ -0.0000914600000000, -0.0002173200000000, 0.0000825100000000 ] - [ 0.0000353500000000, -0.0002948400000000, 0.0000074700000000 ] - [ 0.0001999000000000, 0.0009585900000000, 0.0001522400000000 ] - [ 0.0003684600000000, -0.0002399900000000, -0.0002283700000000 ] - [ 0.0001307000000000, 0.0005732300000000, -0.0001363500000000 ] - [ -0.0013418300000000, -0.0001575500000000, 0.0005998400000000 ] - [ 0.0000743100000000, -0.0000846700000000, 0.0000828200000000 ] - [ 0.0002231500000000, -0.0005557700000000, 0.0005558600000000 ] - [ -0.0000658300000000, 0.0001758200000000, 0.0003753300000000 ] - [ -0.0003663700000000, -0.0018944200000000, 0.0004462100000000 ] - [ -0.0002342200000000, 0.0009684400000000, 0.0001523900000000 ] - [ -0.0000134700000000, -0.0000863100000000, -0.0002775200000000 ] - [ -0.0000444900000000, -0.0000741900000000, 0.0004451300000000 ] - [ -0.0001230600000000, -0.0010335600000000, 0.0007036100000000 ] - [ -0.0006539500000000, -0.0016716100000000, -0.0005984600000000 ] - [ -0.0001101100000000, -0.0001962800000000, -0.0002068400000000 ] - [ -0.0001483100000000, -0.0007301900000000, 0.0001738900000000 ] - [ -0.0002851000000000, -0.0003966200000000, 0.0005482800000000 ] - [ -0.0002781200000000, 0.0002877300000000, -0.0018523600000000 ] - [ 0.0001944800000000, -0.0006232400000000, 0.0003026800000000 ] - [ 0.0000174400000000, -0.0001976700000000, 0.0001300500000000 ] - [ -0.0001445200000000, -0.0005980900000000, 0.0001613000000000 ] - [ 0.0000468800000000, -0.0000850700000000, -0.0001669400000000 ] - [ -0.0000353300000000, -0.0001867600000000, 0.0001182300000000 ] - [ 0.0001636500000000, 0.0001141200000000, -0.0002185400000000 ] - [ 0.0004237100000000, -0.0002817100000000, 0.0017518300000000 ] - [ 0.0007274000000000, 0.0000890400000000, 0.0025152300000000 ] - [ 0.0000157000000000, 0.0007993800000000, -0.0003033900000000 ] - [ 0.0001258200000000, 0.0000690900000000, -0.0000132700000000 ] - [ 0.0006958700000000, -0.0017648700000000, -0.0007026400000000 ] - [ 0.0015384900000000, 0.0002072700000000, -0.0006646300000000 ] - [ -0.0000469200000000, 0.0003055300000000, 0.0002370900000000 ] - [ -0.0000428400000000, -0.0001753900000000, -0.0000736300000000 ] - [ 0.0003961200000000, -0.0018880500000000, -0.0002116400000000 ] - [ -0.0001342700000000, 0.0000940400000000, -0.0002668900000000 ] - [ 0.0014912400000000, 0.0024383400000000, -0.0002358600000000 ] - [ -0.0000082500000000, 0.0001151100000000, 0.0001913100000000 ] - [ -0.0016110700000000, 0.0028679800000000, -0.0000164800000000 ] - [ 0.0008336300000000, 0.0014655800000000, -0.0015449800000000 ] - [ 0.0000358400000000, -0.0003292200000000, -0.0002644300000000 ]- atom: 10 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000534300000000, 0.0001242600000000, 0.0002679000000000 ] - [ -0.0003051300000000, -0.0002745100000000, -0.0000266700000000 ] - [ 0.0002637600000000, 0.0003359800000000, 0.0002523300000000 ] - [ 0.0000480400000000, 0.0001580800000000, -0.0008243900000000 ] - [ -0.0000189900000000, -0.0001230600000000, -0.0000185300000000 ] - [ -0.0033913200000000, -0.0023589900000000, -0.0006099300000000 ] - [ 0.0037196300000000, -0.0027001700000000, 0.0011696300000000 ] - [ 0.0002425900000000, -0.0012327600000000, -0.0019972400000000 ] - [ 0.0000328700000000, -0.0010878300000000, -0.0000190600000000 ] - [ -0.0007367500000000, 0.0293881700000000, -0.0059076500000000 ] - [ 0.0000370700000000, -0.0003285500000000, 0.0001278400000000 ] - [ 0.0002596700000000, 0.0010387200000000, -0.0000646800000000 ] - [ -0.0000771200000000, 0.0005271000000000, 0.0000864500000000 ] - [ 0.0001077000000000, 0.0000209500000000, 0.0002009700000000 ] - [ 0.0001336900000000, 0.0015422000000000, 0.0000729000000000 ] - [ -0.0000910100000000, 0.0001589400000000, -0.0000458800000000 ] - [ 0.0000239300000000, -0.0001818200000000, -0.0000889100000000 ] - [ -0.0000774100000000, -0.0006684700000000, -0.0002371600000000 ] - [ -0.0000771300000000, -0.0002389000000000, 0.0000460300000000 ] - [ -0.0000018900000000, 0.0005206700000000, 0.0000575800000000 ] - [ -0.0000010000000000, -0.0002122900000000, 0.0005194700000000 ] - [ -0.0000667600000000, 0.0002971000000000, 0.0001184800000000 ] - [ 0.0000045600000000, 0.0001899100000000, -0.0000192300000000 ] - [ -0.0000102300000000, -0.0003886500000000, 0.0005095200000000 ] - [ 0.0000175400000000, -0.0000825500000000, -0.0000225500000000 ] - [ -0.0002035900000000, 0.0010933100000000, -0.0001949300000000 ] - [ -0.0000169200000000, -0.0001060400000000, -0.0000386600000000 ] - [ 0.0000120000000000, -0.0001173400000000, 0.0002282100000000 ] - [ 0.0001490700000000, -0.0005052900000000, -0.0001657500000000 ] - [ 0.0000219100000000, -0.0001831300000000, -0.0000379300000000 ] - [ -0.0001190000000000, -0.0003192400000000, 0.0000190600000000 ] - [ -0.0000770400000000, 0.0011845300000000, -0.0002735300000000 ] - [ 0.0000651700000000, 0.0003374400000000, -0.0002927200000000 ] - [ 0.0000651100000000, -0.0002420800000000, 0.0001244600000000 ] - [ 0.0000181500000000, -0.0000246600000000, 0.0000519200000000 ] - [ -0.0000279200000000, 0.0008913600000000, -0.0001983300000000 ] - [ 0.0000652300000000, -0.0005435900000000, -0.0000803600000000 ] - [ -0.0000825200000000, -0.0000032700000000, 0.0000204100000000 ] - [ 0.0000028900000000, -0.0002715700000000, 0.0000170100000000 ] - [ 0.0000999300000000, 0.0000807500000000, -0.0000592100000000 ] - [ 0.0001084800000000, -0.0003220100000000, -0.0001137700000000 ] - [ -0.0000388100000000, 0.0002445500000000, 0.0001021900000000 ] - [ -0.0000591700000000, -0.0002846300000000, 0.0000577000000000 ] - [ -0.0000006300000000, -0.0004537000000000, 0.0000232100000000 ] - [ 0.0000793200000000, -0.0000984100000000, 0.0002039900000000 ] - [ -0.0000514500000000, -0.0001087700000000, -0.0000600100000000 ] - [ -0.0002053800000000, 0.0003509900000000, -0.0001906900000000 ] - [ -0.0001123900000000, -0.0008991500000000, -0.0000853500000000 ] - [ 0.0003108000000000, -0.0000469700000000, 0.0003798500000000 ] - [ 0.0002818300000000, -0.0001510000000000, 0.0000853700000000 ] - [ -0.0011334200000000, 0.0002733900000000, -0.0000658200000000 ] - [ 0.0094831700000000, -0.0092062200000000, 0.0027472900000000 ] - [ 0.0002432500000000, 0.0005463700000000, 0.0015702600000000 ] - [ -0.0098891600000000, -0.0080866500000000, 0.0034419700000000 ] - [ -0.0004127600000000, 0.0000411100000000, -0.0003952600000000 ] - [ -0.0001700800000000, -0.0002479100000000, -0.0002908500000000 ] - [ -0.0005061400000000, 0.0003664000000000, 0.0015441800000000 ] - [ -0.0006911600000000, -0.0032025800000000, 0.0019223700000000 ] - [ 0.0000231900000000, -0.0003040300000000, -0.0002956500000000 ] - [ 0.0000759700000000, -0.0001195400000000, 0.0010658600000000 ] - [ 0.0011379800000000, -0.0027437500000000, -0.0020910700000000 ] - [ 0.0011803500000000, -0.0001110600000000, 0.0000712500000000 ] - [ -0.0002929900000000, -0.0000287100000000, -0.0011793500000000 ] - [ -0.0000826100000000, -0.0001093700000000, 0.0001693100000000 ] - [ 0.0007992400000000, -0.0026933500000000, 0.0021886700000000 ] - [ 0.0007555000000000, 0.0002971400000000, -0.0025828000000000 ] - [ -0.0001507300000000, 0.0004338100000000, 0.0001189800000000 ] - [ 0.0001895500000000, -0.0006261100000000, -0.0000289600000000 ] - [ -0.0001232100000000, -0.0005017000000000, 0.0004188600000000 ] - [ 0.0000873800000000, 0.0001715000000000, -0.0000179200000000 ] - [ -0.0000654800000000, -0.0002066800000000, 0.0000588400000000 ] - [ 0.0002864800000000, 0.0000887000000000, 0.0001929000000000 ] - [ -0.0000669400000000, -0.0002221900000000, 0.0004420400000000 ] - [ -0.0000309600000000, 0.0000589700000000, -0.0001647700000000 ] - [ -0.0001258000000000, -0.0007355700000000, -0.0004149700000000 ] - [ -0.0002113800000000, -0.0002007400000000, -0.0002964000000000 ] - [ -0.0000860900000000, -0.0000334700000000, 0.0000426900000000 ] - [ 0.0012469600000000, -0.0000335300000000, -0.0001342800000000 ] - [ 0.0001223500000000, 0.0001312600000000, -0.0000214400000000 ] - [ -0.0002264200000000, 0.0007870900000000, -0.0003967700000000 ] - [ -0.0000918500000000, 0.0002629700000000, 0.0001507600000000 ] - [ 0.0004219200000000, 0.0019938600000000, -0.0002585700000000 ] - [ 0.0001828100000000, -0.0008707100000000, -0.0003445500000000 ] - [ -0.0001158900000000, -0.0001108700000000, 0.0000733900000000 ] - [ 0.0001731500000000, -0.0001217700000000, -0.0002389800000000 ] - [ 0.0002277600000000, 0.0009692500000000, -0.0011391700000000 ] - [ 0.0008899700000000, 0.0017051700000000, 0.0004557500000000 ] - [ -0.0000207400000000, -0.0002359700000000, 0.0001318300000000 ] - [ 0.0000723900000000, 0.0009498900000000, 0.0000884400000000 ] - [ 0.0002454600000000, 0.0009329600000000, -0.0003668400000000 ] - [ 0.0004083000000000, 0.0001433300000000, 0.0019302700000000 ] - [ -0.0004279900000000, 0.0005887500000000, -0.0001548000000000 ] - [ -0.0000109000000000, 0.0000352100000000, 0.0000570500000000 ] - [ 0.0001849600000000, 0.0000615200000000, -0.0003428500000000 ] - [ 0.0000589200000000, -0.0001055800000000, -0.0002950300000000 ] - [ -0.0000106100000000, -0.0003567700000000, -0.0000208300000000 ] - [ -0.0000340900000000, 0.0000818200000000, 0.0004229000000000 ] - [ -0.0002926800000000, -0.0001500000000000, -0.0016838200000000 ] - [ -0.0008620500000000, 0.0003441700000000, -0.0025908300000000 ] - [ -0.0000201800000000, -0.0009604200000000, 0.0001173400000000 ] - [ 0.0001082600000000, -0.0000991700000000, -0.0001304000000000 ] - [ -0.0007390700000000, 0.0023006700000000, 0.0007960500000000 ] - [ -0.0013919800000000, 0.0002293600000000, 0.0001358400000000 ] - [ 0.0000989100000000, -0.0004042000000000, -0.0000439000000000 ] - [ 0.0000351700000000, 0.0003354500000000, -0.0001141100000000 ] - [ -0.0003599600000000, 0.0013565400000000, 0.0001319000000000 ] - [ 0.0001346700000000, -0.0003247700000000, 0.0004280900000000 ] - [ -0.0012805500000000, -0.0025405500000000, 0.0003021000000000 ] - [ -0.0000654500000000, -0.0003389400000000, 0.0000737400000000 ] - [ 0.0016099000000000, -0.0027462400000000, 0.0002059500000000 ] - [ -0.0007795800000000, -0.0008603500000000, 0.0014607800000000 ] - [ -0.0000898400000000, 0.0002271900000000, 0.0000740100000000 ]- atom: 10 displacement: [ -0.0000185648863736, 0.0000000000000000, 0.0099999827672348 ] forces: - [ -0.0000349300000000, 0.0001686600000000, 0.0007092400000000 ] - [ -0.0002612600000000, -0.0002349500000000, 0.0004826900000000 ] - [ 0.0002847300000000, 0.0003107100000000, 0.0004290700000000 ] - [ -0.0000419200000000, 0.0003133500000000, -0.0006019600000000 ] - [ -0.0000322200000000, -0.0000996100000000, 0.0001266400000000 ] - [ 0.0001791600000000, 0.0008073100000000, -0.0019211500000000 ] - [ 0.0009134100000000, -0.0006787500000000, -0.0016542300000000 ] - [ 0.0002023300000000, 0.0012635200000000, 0.0011379300000000 ] - [ -0.0000736900000000, 0.0000543100000000, -0.0007815500000000 ] - [ -0.0019225500000000, 0.0058862400000000, -0.0245900700000000 ] - [ -0.0001368900000000, 0.0004828400000000, -0.0002758100000000 ] - [ -0.0022669600000000, -0.0001929500000000, 0.0009792300000000 ] - [ -0.0001641600000000, -0.0001668600000000, 0.0009635400000000 ] - [ 0.0000362700000000, -0.0001893900000000, 0.0003714700000000 ] - [ 0.0036783500000000, -0.0001701300000000, 0.0017198700000000 ] - [ -0.0000849400000000, 0.0000268300000000, 0.0002324600000000 ] - [ 0.0000308100000000, -0.0001199200000000, 0.0001141800000000 ] - [ -0.0003050300000000, -0.0003686600000000, -0.0004011600000000 ] - [ -0.0000133700000000, 0.0002869500000000, 0.0003158200000000 ] - [ -0.0000019700000000, 0.0002395100000000, 0.0001619400000000 ] - [ -0.0000142400000000, 0.0003041200000000, 0.0000365800000000 ] - [ -0.0000557200000000, 0.0000724400000000, 0.0007109100000000 ] - [ 0.0000190800000000, 0.0000809500000000, 0.0000744200000000 ] - [ -0.0000055700000000, 0.0000372100000000, 0.0001022200000000 ] - [ 0.0000145400000000, -0.0000369600000000, 0.0001623300000000 ] - [ -0.0029218000000000, -0.0000312000000000, 0.0018465700000000 ] - [ -0.0000075800000000, -0.0001187500000000, 0.0001724100000000 ] - [ 0.0000080400000000, -0.0001292000000000, 0.0003995000000000 ] - [ 0.0003784100000000, -0.0001303500000000, -0.0002484600000000 ] - [ 0.0000266900000000, -0.0002262300000000, 0.0001371800000000 ] - [ -0.0000854000000000, -0.0001603600000000, 0.0003004700000000 ] - [ 0.0028937400000000, 0.0001132700000000, 0.0017199300000000 ] - [ -0.0001310600000000, 0.0001015500000000, 0.0000121400000000 ] - [ 0.0000698700000000, -0.0000905900000000, 0.0004699100000000 ] - [ 0.0000177900000000, -0.0001727600000000, 0.0003678800000000 ] - [ -0.0000188800000000, 0.0000790300000000, -0.0006452500000000 ] - [ 0.0002984200000000, 0.0002214700000000, -0.0001088500000000 ] - [ -0.0000046900000000, 0.0002701300000000, 0.0001429500000000 ] - [ -0.0000329700000000, 0.0000500500000000, 0.0001410700000000 ] - [ 0.0000855000000000, -0.0000078000000000, 0.0001369600000000 ] - [ 0.0001904700000000, -0.0003148600000000, -0.0000968500000000 ] - [ 0.0000282200000000, -0.0000055900000000, 0.0002615500000000 ] - [ -0.0001145300000000, -0.0002202300000000, 0.0002052600000000 ] - [ -0.0000192000000000, -0.0003425300000000, 0.0000343000000000 ] - [ -0.0000186200000000, 0.0001282000000000, 0.0003806000000000 ] - [ -0.0000542100000000, 0.0000035100000000, 0.0002250900000000 ] - [ 0.0003280700000000, 0.0001780800000000, 0.0003370600000000 ] - [ -0.0000090300000000, -0.0002100200000000, -0.0005476500000000 ] - [ 0.0003432800000000, -0.0001072500000000, 0.0006574200000000 ] - [ 0.0002518300000000, -0.0000471300000000, 0.0008788400000000 ] - [ -0.0018719700000000, -0.0002099000000000, 0.0000269900000000 ] - [ 0.0026647000000000, -0.0015127900000000, -0.0019804400000000 ] - [ 0.0000912200000000, -0.0000556500000000, -0.0004556300000000 ] - [ -0.0026218900000000, -0.0024165300000000, -0.0015084300000000 ] - [ -0.0001133600000000, 0.0002460800000000, 0.0005231400000000 ] - [ -0.0002347500000000, -0.0000523200000000, 0.0004823200000000 ] - [ -0.0001919300000000, -0.0000407200000000, -0.0003208600000000 ] - [ -0.0020341900000000, -0.0047689200000000, 0.0022956500000000 ] - [ 0.0000318100000000, -0.0002311400000000, 0.0004926000000000 ] - [ 0.0001434700000000, -0.0001798500000000, 0.0017624000000000 ] - [ -0.0029995600000000, 0.0039412700000000, 0.0028296900000000 ] - [ -0.0014050500000000, 0.0002751300000000, 0.0003820300000000 ] - [ 0.0004907800000000, 0.0003187300000000, 0.0014968800000000 ] - [ -0.0000408900000000, -0.0000766700000000, 0.0009912600000000 ] - [ 0.0012659000000000, 0.0003757900000000, 0.0070549800000000 ] - [ 0.0002219000000000, 0.0003413800000000, 0.0007867100000000 ] - [ 0.0000328300000000, -0.0007079000000000, -0.0007110500000000 ] - [ 0.0000593600000000, 0.0004417100000000, 0.0004872000000000 ] - [ 0.0003566300000000, -0.0007241400000000, -0.0004045300000000 ] - [ -0.0001629600000000, 0.0000678000000000, -0.0002458500000000 ] - [ -0.0002227800000000, 0.0003283000000000, -0.0003941500000000 ] - [ -0.0004624400000000, 0.0000760700000000, 0.0000450200000000 ] - [ -0.0000619100000000, -0.0001815600000000, 0.0003444700000000 ] - [ -0.0001598000000000, 0.0001235200000000, -0.0005540600000000 ] - [ 0.0002218300000000, 0.0004679600000000, -0.0003330300000000 ] - [ -0.0003641200000000, -0.0002025200000000, -0.0004786500000000 ] - [ 0.0002172100000000, 0.0007219100000000, -0.0006845400000000 ] - [ 0.0032328200000000, -0.0000063300000000, 0.0004675400000000 ] - [ 0.0001622200000000, -0.0002489900000000, -0.0004080700000000 ] - [ 0.0000406900000000, -0.0000263800000000, -0.0000912300000000 ] - [ -0.0000658900000000, 0.0002247000000000, 0.0001505800000000 ] - [ -0.0005207300000000, -0.0019885000000000, 0.0011412900000000 ] - [ -0.0002910400000000, 0.0005337000000000, -0.0003714800000000 ] - [ 0.0002185900000000, -0.0000897100000000, -0.0012468600000000 ] - [ 0.0002793300000000, -0.0001582300000000, -0.0006358400000000 ] - [ -0.0002882700000000, 0.0007023600000000, 0.0022968400000000 ] - [ 0.0003004200000000, 0.0005727000000000, 0.0004508000000000 ] - [ -0.0003507200000000, -0.0001756400000000, -0.0012070300000000 ] - [ 0.0000868000000000, -0.0003020200000000, 0.0005551900000000 ] - [ -0.0000836300000000, 0.0001321500000000, -0.0000656900000000 ] - [ -0.0007261400000000, 0.0004867400000000, -0.0031482900000000 ] - [ 0.0001093200000000, 0.0006267300000000, 0.0007445500000000 ] - [ -0.0000538000000000, -0.0003686400000000, -0.0003201300000000 ] - [ 0.0003766500000000, 0.0002344400000000, -0.0008521300000000 ] - [ 0.0000981700000000, -0.0001082500000000, -0.0004397900000000 ] - [ 0.0000677000000000, 0.0000124200000000, -0.0004214500000000 ] - [ 0.0003439900000000, 0.0001065900000000, -0.0009589000000000 ] - [ -0.0006971900000000, -0.0003948200000000, -0.0029500400000000 ] - [ -0.0002363700000000, 0.0005325600000000, 0.0010825500000000 ] - [ 0.0001085800000000, -0.0005887700000000, 0.0003057700000000 ] - [ 0.0000294500000000, 0.0002080800000000, -0.0005165200000000 ] - [ -0.0001257200000000, 0.0005821300000000, 0.0005947900000000 ] - [ 0.0032133000000000, 0.0002039500000000, 0.0001011900000000 ] - [ 0.0001634300000000, -0.0005003500000000, -0.0003904200000000 ] - [ -0.0000869100000000, -0.0003251600000000, -0.0004949900000000 ] - [ -0.0008365200000000, 0.0017045500000000, 0.0015983700000000 ] - [ -0.0004116600000000, -0.0005951700000000, -0.0004273500000000 ] - [ 0.0002280800000000, -0.0009419600000000, 0.0037876700000000 ] - [ -0.0001120600000000, -0.0003489900000000, -0.0001656000000000 ] - [ -0.0000201100000000, -0.0002065400000000, 0.0036399200000000 ] - [ 0.0013677400000000, -0.0029715500000000, 0.0007335500000000 ] - [ 0.0001837800000000, 0.0002099200000000, -0.0002535800000000 ]- atom: 10 displacement: [ 0.0000185648863736, 0.0000000000000000, -0.0099999827672348 ] forces: - [ 0.0000573000000000, 0.0000842800000000, -0.0002817600000000 ] - [ -0.0002622700000000, -0.0003567400000000, -0.0005840500000000 ] - [ 0.0002358500000000, 0.0002842800000000, -0.0002959900000000 ] - [ 0.0000195000000000, -0.0000622400000000, 0.0001743900000000 ] - [ 0.0000114000000000, -0.0001529000000000, -0.0005638600000000 ] - [ -0.0007104400000000, -0.0002251800000000, 0.0017822400000000 ] - [ -0.0008799200000000, 0.0004162200000000, 0.0020994500000000 ] - [ 0.0003200400000000, -0.0018765400000000, -0.0010093300000000 ] - [ 0.0001112900000000, 0.0001691900000000, 0.0007985700000000 ] - [ 0.0020636000000000, -0.0060288000000000, 0.0250825000000000 ] - [ 0.0001352200000000, 0.0000813400000000, 0.0001980400000000 ] - [ 0.0022469700000000, 0.0001638100000000, -0.0010019400000000 ] - [ -0.0000912300000000, 0.0002264400000000, -0.0008273300000000 ] - [ 0.0001376400000000, -0.0000068100000000, -0.0002016200000000 ] - [ -0.0035246700000000, 0.0003441500000000, -0.0018789900000000 ] - [ -0.0000631800000000, 0.0001399500000000, -0.0004062900000000 ] - [ 0.0000933200000000, -0.0000222100000000, -0.0002651500000000 ] - [ 0.0002687900000000, 0.0001480900000000, 0.0003894600000000 ] - [ -0.0001114200000000, -0.0001175000000000, -0.0001507600000000 ] - [ 0.0000024300000000, 0.0003245400000000, -0.0000833300000000 ] - [ 0.0000364800000000, 0.0000220900000000, 0.0004290500000000 ] - [ -0.0000684100000000, -0.0002374400000000, -0.0005456600000000 ] - [ -0.0000250300000000, -0.0000506800000000, -0.0000401300000000 ] - [ -0.0000282000000000, 0.0003252400000000, -0.0000914400000000 ] - [ -0.0000119700000000, 0.0000747800000000, -0.0001908500000000 ] - [ 0.0028390600000000, -0.0002475100000000, -0.0020501200000000 ] - [ -0.0000265800000000, -0.0002503500000000, -0.0001595600000000 ] - [ 0.0000159000000000, -0.0002004600000000, 0.0000683300000000 ] - [ -0.0002041400000000, 0.0003251400000000, 0.0004200000000000 ] - [ -0.0000290300000000, -0.0003422800000000, -0.0002162500000000 ] - [ -0.0001696000000000, 0.0001029800000000, -0.0001670500000000 ] - [ -0.0028287000000000, -0.0001945500000000, -0.0015379200000000 ] - [ 0.0001071400000000, 0.0002238300000000, -0.0004803000000000 ] - [ 0.0000354900000000, -0.0001734700000000, -0.0002801300000000 ] - [ -0.0000030200000000, -0.0000711900000000, -0.0003609100000000 ] - [ -0.0000791100000000, 0.0000034600000000, 0.0004551900000000 ] - [ -0.0000424700000000, -0.0001595600000000, -0.0000212700000000 ] - [ -0.0001145500000000, 0.0000275300000000, -0.0003475400000000 ] - [ 0.0000308500000000, -0.0000809100000000, -0.0001120600000000 ] - [ 0.0001726300000000, -0.0000697800000000, -0.0002396900000000 ] - [ -0.0002130800000000, -0.0000104300000000, -0.0003646100000000 ] - [ -0.0000631700000000, 0.0002086800000000, -0.0002896500000000 ] - [ 0.0001491600000000, -0.0001444900000000, -0.0002053900000000 ] - [ 0.0000196100000000, -0.0002194800000000, 0.0000480200000000 ] - [ 0.0001149000000000, -0.0000471500000000, -0.0001924700000000 ] - [ -0.0000278700000000, -0.0000637100000000, -0.0004207200000000 ] - [ -0.0002941700000000, 0.0001865600000000, -0.0003492800000000 ] - [ -0.0001673100000000, 0.0000142400000000, 0.0003816600000000 ] - [ 0.0000986600000000, -0.0001555100000000, -0.0003825000000000 ] - [ 0.0003135500000000, -0.0001827000000000, -0.0005445100000000 ] - [ 0.0013076000000000, -0.0000170300000000, -0.0003562100000000 ] - [ -0.0028289500000000, 0.0017477700000000, 0.0024244600000000 ] - [ 0.0000934900000000, 0.0004813100000000, 0.0001863700000000 ] - [ 0.0032153900000000, 0.0026801900000000, 0.0018114400000000 ] - [ -0.0004381900000000, -0.0000107200000000, -0.0008658600000000 ] - [ -0.0002111800000000, -0.0001833100000000, -0.0007558200000000 ] - [ -0.0002510200000000, 0.0002727100000000, 0.0000511300000000 ] - [ 0.0021850400000000, 0.0045856500000000, -0.0027780000000000 ] - [ 0.0001550300000000, -0.0001964500000000, -0.0007628000000000 ] - [ -0.0003232900000000, -0.0002671700000000, -0.0014957900000000 ] - [ 0.0028107500000000, -0.0034984100000000, -0.0025480100000000 ] - [ 0.0018471500000000, -0.0000411400000000, -0.0001111600000000 ] - [ -0.0003657300000000, -0.0001128400000000, -0.0019829200000000 ] - [ -0.0001035800000000, -0.0001351800000000, -0.0005164600000000 ] - [ -0.0015278900000000, -0.0000322300000000, -0.0076507600000000 ] - [ -0.0003519600000000, -0.0001384500000000, -0.0009681600000000 ] - [ -0.0002314600000000, 0.0006559500000000, 0.0006558800000000 ] - [ -0.0000659700000000, -0.0002256100000000, -0.0006509900000000 ] - [ -0.0004056100000000, 0.0002023400000000, 0.0005968700000000 ] - [ 0.0002444500000000, -0.0003064100000000, -0.0000116300000000 ] - [ -0.0000095000000000, -0.0002967000000000, 0.0005438900000000 ] - [ 0.0003507500000000, 0.0001152300000000, 0.0004562600000000 ] - [ -0.0000916800000000, -0.0002572200000000, 0.0001808000000000 ] - [ 0.0000936400000000, -0.0003480600000000, 0.0003438600000000 ] - [ -0.0001398300000000, -0.0002274300000000, 0.0000757700000000 ] - [ 0.0005182700000000, -0.0002353600000000, -0.0000461700000000 ] - [ -0.0001757400000000, -0.0001913900000000, 0.0006089200000000 ] - [ -0.0033430800000000, -0.0001897000000000, -0.0000047800000000 ] - [ 0.0000317400000000, 0.0002989000000000, 0.0004770800000000 ] - [ -0.0000343700000000, 0.0002394800000000, 0.0002601300000000 ] - [ -0.0000902000000000, 0.0002142700000000, 0.0003769200000000 ] - [ 0.0005766100000000, 0.0020758000000000, -0.0009442500000000 ] - [ 0.0002337300000000, -0.0004322400000000, 0.0001791800000000 ] - [ -0.0003518300000000, -0.0001085600000000, 0.0010602900000000 ] - [ -0.0001435400000000, -0.0000382900000000, 0.0008213400000000 ] - [ 0.0003966100000000, -0.0005298500000000, -0.0027537000000000 ] - [ -0.0000698100000000, -0.0005521800000000, -0.0005997600000000 ] - [ 0.0002199600000000, -0.0002615000000000, 0.0011378000000000 ] - [ -0.0001660900000000, 0.0005353700000000, -0.0002940200000000 ] - [ 0.0000371100000000, 0.0003911900000000, 0.0002543500000000 ] - [ 0.0008519000000000, -0.0000484200000000, 0.0032142700000000 ] - [ -0.0003480500000000, -0.0006624200000000, -0.0006044800000000 ] - [ 0.0000596100000000, 0.0002075100000000, 0.0005108300000000 ] - [ -0.0002788300000000, -0.0007723400000000, 0.0006144900000000 ] - [ 0.0000161700000000, -0.0000853200000000, -0.0000190400000000 ] - [ -0.0001096000000000, -0.0005143900000000, 0.0005157000000000 ] - [ -0.0002137000000000, 0.0000921300000000, 0.0011533100000000 ] - [ 0.0008266000000000, -0.0000358700000000, 0.0030159300000000 ] - [ 0.0001059600000000, -0.0000919300000000, -0.0011410000000000 ] - [ -0.0001155200000000, 0.0004342100000000, -0.0004975200000000 ] - [ 0.0002075900000000, -0.0002401100000000, 0.0003750800000000 ] - [ 0.0000847100000000, -0.0000577200000000, -0.0005075300000000 ] - [ -0.0030558200000000, 0.0002298400000000, -0.0006267600000000 ] - [ -0.0000918000000000, 0.0004154300000000, 0.0005678100000000 ] - [ 0.0000828500000000, 0.0004812200000000, 0.0003093400000000 ] - [ 0.0008731800000000, -0.0022440600000000, -0.0016945400000000 ] - [ 0.0004212800000000, 0.0003857400000000, 0.0006003400000000 ] - [ -0.0000275800000000, 0.0008842100000000, -0.0037284800000000 ] - [ 0.0000131900000000, 0.0001263300000000, 0.0004185900000000 ] - [ 0.0000182300000000, 0.0003630400000000, -0.0034547400000000 ] - [ -0.0012740000000000, 0.0036337500000000, -0.0006758400000000 ] - [ -0.0002404400000000, -0.0003098200000000, 0.0000622800000000 ]- atom: 11 displacement: [ 0.0099999995909515, 0.0000000000000000, -0.0000028602394792 ] forces: - [ -0.0000943800000000, 0.0001220400000000, 0.0002069400000000 ] - [ -0.0002065400000000, -0.0002960800000000, -0.0000736400000000 ] - [ 0.0002965900000000, 0.0003476900000000, 0.0001126900000000 ] - [ 0.0000525200000000, 0.0000396400000000, -0.0001351300000000 ] - [ -0.0000113400000000, -0.0001295500000000, -0.0002634000000000 ] - [ 0.0005313200000000, 0.0002836000000000, -0.0000898200000000 ] - [ -0.0007171900000000, -0.0001603400000000, 0.0002126800000000 ] - [ 0.0002431900000000, -0.0002927800000000, 0.0000346300000000 ] - [ 0.0024198200000000, 0.0003536500000000, -0.0031690700000000 ] - [ 0.0000267400000000, 0.0001042800000000, -0.0000440300000000 ] - [ -0.0368126100000000, -0.0009027000000000, 0.0010498000000000 ] - [ -0.0002302600000000, -0.0000051100000000, 0.0000383500000000 ] - [ -0.0001701500000000, -0.0001681800000000, 0.0001697100000000 ] - [ -0.0000117100000000, -0.0000898300000000, 0.0000580400000000 ] - [ 0.0004127700000000, 0.0000928300000000, -0.0000507800000000 ] - [ -0.0000801400000000, 0.0001216300000000, -0.0001402600000000 ] - [ 0.0000634400000000, -0.0000818000000000, -0.0000890000000000 ] - [ 0.0000269700000000, -0.0001041600000000, -0.0000122900000000 ] - [ 0.0006471200000000, 0.0001322600000000, 0.0016395700000000 ] - [ 0.0000014500000000, 0.0003909600000000, -0.0000396800000000 ] - [ 0.0048754100000000, -0.0048615500000000, 0.0013737100000000 ] - [ -0.0000604400000000, -0.0000934100000000, 0.0000726300000000 ] - [ 0.0000003300000000, 0.0000209900000000, 0.0000086800000000 ] - [ 0.0041384700000000, 0.0043546500000000, 0.0015692600000000 ] - [ -0.0000020300000000, 0.0000185700000000, -0.0000184700000000 ] - [ -0.0000435700000000, -0.0001411400000000, -0.0001127300000000 ] - [ -0.0000176100000000, -0.0001901200000000, 0.0000013100000000 ] - [ 0.0000108500000000, -0.0001612000000000, 0.0002250100000000 ] - [ -0.0000011200000000, 0.0001324000000000, 0.0000908400000000 ] - [ -0.0000073400000000, -0.0002838900000000, -0.0000428700000000 ] - [ -0.0001300500000000, -0.0000153600000000, 0.0000451300000000 ] - [ 0.0000333700000000, -0.0000584600000000, 0.0000771700000000 ] - [ -0.0002677900000000, 0.0001363800000000, -0.0002339200000000 ] - [ 0.0000612400000000, -0.0001207900000000, 0.0001234600000000 ] - [ 0.0000220900000000, -0.0001377100000000, 0.0000377400000000 ] - [ -0.0000798300000000, 0.0001455400000000, 0.0000919600000000 ] - [ 0.0012067200000000, 0.0000320800000000, -0.0000649500000000 ] - [ 0.0000434700000000, 0.0001396000000000, -0.0000953200000000 ] - [ 0.0009906300000000, -0.0001975100000000, -0.0021700300000000 ] - [ 0.0001367600000000, -0.0000280000000000, -0.0000655400000000 ] - [ -0.0000376000000000, -0.0001620500000000, -0.0002379900000000 ] - [ 0.0000647600000000, 0.0001070700000000, -0.0000282300000000 ] - [ 0.0000285500000000, -0.0001854200000000, -0.0000110600000000 ] - [ 0.0000047300000000, -0.0002881800000000, 0.0000442000000000 ] - [ -0.0000703600000000, 0.0000260600000000, 0.0001063800000000 ] - [ -0.0000472900000000, -0.0000597800000000, -0.0001454400000000 ] - [ 0.0004455100000000, 0.0001520500000000, 0.0000310600000000 ] - [ 0.0014295400000000, -0.0000248000000000, 0.0022028900000000 ] - [ 0.0001878900000000, -0.0001147900000000, 0.0001389200000000 ] - [ 0.0002923400000000, -0.0001063900000000, 0.0001568400000000 ] - [ -0.0001329900000000, 0.0000285800000000, -0.0001195900000000 ] - [ 0.0008195800000000, 0.0001023900000000, 0.0003130900000000 ] - [ 0.0008761100000000, 0.0002842500000000, -0.0001051900000000 ] - [ -0.0013441800000000, 0.0020719700000000, -0.0017495500000000 ] - [ 0.0001354100000000, 0.0002096900000000, -0.0012908100000000 ] - [ -0.0002099200000000, -0.0001233800000000, -0.0001470100000000 ] - [ -0.0008223500000000, -0.0009070000000000, -0.0011347000000000 ] - [ 0.0001946700000000, -0.0003003300000000, -0.0003445600000000 ] - [ 0.0000943100000000, -0.0002024500000000, -0.0001573600000000 ] - [ -0.0001271000000000, -0.0002151200000000, 0.0000675200000000 ] - [ -0.0000033900000000, -0.0124587100000000, 0.0043491100000000 ] - [ 0.0013328200000000, 0.0134204000000000, -0.0040196700000000 ] - [ 0.0005392500000000, -0.0000497900000000, 0.0007815200000000 ] - [ -0.0000714200000000, -0.0000937500000000, 0.0002119300000000 ] - [ -0.0000154700000000, 0.0000598500000000, -0.0000518000000000 ] - [ 0.0021566300000000, 0.0000191200000000, 0.0002796900000000 ] - [ -0.0000610900000000, -0.0001418100000000, -0.0002328700000000 ] - [ -0.0006560000000000, -0.0011939300000000, -0.0006127300000000 ] - [ -0.0000256700000000, -0.0002520700000000, 0.0000993300000000 ] - [ 0.0000571900000000, -0.0001193100000000, -0.0001441700000000 ] - [ 0.0000659000000000, -0.0002402300000000, 0.0003517200000000 ] - [ -0.0009589900000000, 0.0000767900000000, 0.0002665100000000 ] - [ -0.0000829000000000, -0.0002219200000000, 0.0002657700000000 ] - [ -0.0000031800000000, -0.0001195600000000, -0.0000579600000000 ] - [ 0.0000368600000000, 0.0001229600000000, -0.0001374400000000 ] - [ 0.0001312600000000, -0.0002215500000000, -0.0002529000000000 ] - [ 0.0001736300000000, 0.0005317400000000, -0.0002765600000000 ] - [ -0.0002511200000000, -0.0000947300000000, 0.0002392800000000 ] - [ 0.0000690500000000, 0.0000284200000000, 0.0000477400000000 ] - [ 0.0013550700000000, -0.0003099200000000, -0.0001994100000000 ] - [ -0.0004042300000000, 0.0008991600000000, 0.0007171300000000 ] - [ 0.0037603400000000, 0.0037414300000000, -0.0011678200000000 ] - [ -0.0002731300000000, 0.0001344700000000, -0.0001412300000000 ] - [ -0.0000749600000000, -0.0001040000000000, -0.0000608200000000 ] - [ 0.0000680500000000, -0.0001057900000000, 0.0000594700000000 ] - [ -0.0001008700000000, -0.0007861800000000, 0.0003812000000000 ] - [ 0.0029885000000000, 0.0006975400000000, -0.0005621900000000 ] - [ -0.0000530200000000, -0.0002218100000000, 0.0000101500000000 ] - [ 0.0047513900000000, -0.0030478200000000, 0.0013817600000000 ] - [ -0.0005580200000000, -0.0000243300000000, 0.0000302100000000 ] - [ -0.0003181400000000, 0.0006698200000000, -0.0019297000000000 ] - [ -0.0001579900000000, -0.0001829100000000, -0.0001767300000000 ] - [ 0.0000315500000000, -0.0000815600000000, 0.0001020100000000 ] - [ 0.0000072600000000, -0.0002762200000000, -0.0000753000000000 ] - [ 0.0000526200000000, -0.0000943200000000, -0.0002260000000000 ] - [ -0.0000561800000000, -0.0002789900000000, 0.0000709600000000 ] - [ -0.0004574600000000, -0.0002710200000000, 0.0020498700000000 ] - [ 0.0000951800000000, -0.0002127000000000, 0.0001619400000000 ] - [ -0.0006164700000000, 0.0002258500000000, -0.0003264100000000 ] - [ 0.0000563300000000, -0.0001301100000000, -0.0000819100000000 ] - [ 0.0001500700000000, -0.0000294000000000, -0.0000461200000000 ] - [ -0.0005283300000000, 0.0004306400000000, 0.0000416100000000 ] - [ 0.0096266400000000, 0.0001261900000000, -0.0000977700000000 ] - [ 0.0000270400000000, -0.0000285700000000, 0.0001075900000000 ] - [ 0.0000737500000000, 0.0002355800000000, 0.0001268800000000 ] - [ -0.0000199600000000, -0.0000574100000000, 0.0003472300000000 ] - [ 0.0000121000000000, -0.0000944300000000, 0.0000868300000000 ] - [ -0.0001353400000000, -0.0001237900000000, 0.0000015800000000 ] - [ -0.0000421100000000, -0.0001133700000000, 0.0001491700000000 ] - [ -0.0000992100000000, 0.0001671100000000, 0.0000424900000000 ] - [ -0.0006286400000000, 0.0015161200000000, 0.0002900300000000 ] - [ -0.0000440000000000, -0.0000626500000000, -0.0000910200000000 ]- atom: 11 displacement: [ -0.0099999995909515, 0.0000000000000000, 0.0000028602394792 ] forces: - [ 0.0001171200000000, 0.0001270700000000, 0.0002313000000000 ] - [ -0.0003156500000000, -0.0002960400000000, -0.0000612300000000 ] - [ 0.0002235500000000, 0.0002441500000000, 0.0000212800000000 ] - [ -0.0000734100000000, 0.0002102900000000, -0.0003019800000000 ] - [ -0.0000101800000000, -0.0001206800000000, -0.0001730200000000 ] - [ -0.0010525500000000, 0.0003058300000000, -0.0000427200000000 ] - [ 0.0007392000000000, -0.0000844700000000, 0.0002320300000000 ] - [ 0.0002779100000000, -0.0002996700000000, 0.0001006500000000 ] - [ -0.0023642700000000, -0.0001340100000000, 0.0031474200000000 ] - [ 0.0000897000000000, 0.0001802300000000, 0.0002292900000000 ] - [ 0.0369187700000000, 0.0019006400000000, -0.0012366100000000 ] - [ 0.0002344800000000, -0.0000279500000000, -0.0000653900000000 ] - [ -0.0000899200000000, 0.0002201100000000, -0.0000499000000000 ] - [ 0.0001879700000000, -0.0001078900000000, 0.0001133100000000 ] - [ -0.0002955800000000, 0.0000745800000000, -0.0001119900000000 ] - [ -0.0000961100000000, 0.0000770600000000, -0.0000307500000000 ] - [ 0.0000528000000000, -0.0000847700000000, -0.0000757900000000 ] - [ -0.0000641300000000, -0.0001167800000000, -0.0000037600000000 ] - [ -0.0007628600000000, 0.0000328200000000, -0.0014638800000000 ] - [ 0.0000014600000000, 0.0001733300000000, 0.0001185600000000 ] - [ -0.0048978600000000, 0.0052634600000000, -0.0009214000000000 ] - [ -0.0000570100000000, -0.0000731800000000, 0.0000907200000000 ] - [ -0.0000029500000000, 0.0000116700000000, 0.0000186300000000 ] - [ -0.0041338500000000, -0.0039254500000000, -0.0015354400000000 ] - [ 0.0000042900000000, 0.0000144400000000, -0.0000082700000000 ] - [ -0.0000765400000000, -0.0001432700000000, -0.0000754000000000 ] - [ -0.0000160000000000, -0.0001816200000000, 0.0000093800000000 ] - [ 0.0000104200000000, -0.0001638700000000, 0.0002400700000000 ] - [ 0.0001764600000000, 0.0000671900000000, 0.0000806100000000 ] - [ 0.0000056900000000, -0.0002797400000000, -0.0000348100000000 ] - [ -0.0001276200000000, -0.0000388300000000, 0.0000763900000000 ] - [ 0.0000636100000000, -0.0000281900000000, 0.0001204400000000 ] - [ 0.0002464400000000, 0.0001906100000000, -0.0002330900000000 ] - [ 0.0000601300000000, -0.0001662500000000, 0.0000665100000000 ] - [ 0.0000147200000000, -0.0000807900000000, -0.0000249000000000 ] - [ -0.0000160100000000, -0.0000575600000000, -0.0002892800000000 ] - [ -0.0009501800000000, 0.0000131900000000, -0.0000544300000000 ] - [ -0.0001641700000000, 0.0001458000000000, -0.0000939500000000 ] - [ -0.0009952400000000, 0.0001627600000000, 0.0022166600000000 ] - [ 0.0001208400000000, -0.0000257900000000, -0.0000556400000000 ] - [ 0.0000156400000000, -0.0001684600000000, -0.0002293000000000 ] - [ -0.0001019100000000, 0.0001114800000000, 0.0000154900000000 ] - [ 0.0000048800000000, -0.0001876700000000, 0.0000014300000000 ] - [ -0.0000030500000000, -0.0002758900000000, 0.0000338500000000 ] - [ 0.0001682200000000, 0.0000559800000000, 0.0000848300000000 ] - [ -0.0000502400000000, -0.0000227200000000, -0.0000450700000000 ] - [ -0.0004122300000000, 0.0002235000000000, -0.0000432800000000 ] - [ -0.0016156300000000, -0.0001794600000000, -0.0023986900000000 ] - [ 0.0002578000000000, -0.0001190000000000, 0.0001328700000000 ] - [ 0.0002798600000000, -0.0001184400000000, 0.0001820700000000 ] - [ -0.0004391000000000, -0.0002532900000000, -0.0002185700000000 ] - [ -0.0009560900000000, 0.0000933300000000, 0.0001526600000000 ] - [ -0.0006913000000000, 0.0001345300000000, -0.0001580100000000 ] - [ 0.0018797500000000, -0.0018860200000000, 0.0021099400000000 ] - [ -0.0007070800000000, 0.0000136600000000, 0.0009542600000000 ] - [ -0.0002349800000000, -0.0001086200000000, -0.0001221100000000 ] - [ 0.0003996200000000, 0.0011232100000000, 0.0008473100000000 ] - [ -0.0000544900000000, 0.0001071300000000, -0.0001231200000000 ] - [ 0.0000929000000000, -0.0002122300000000, -0.0001095200000000 ] - [ -0.0000596400000000, -0.0002013000000000, 0.0001989000000000 ] - [ -0.0001095700000000, 0.0127880800000000, -0.0040488100000000 ] - [ -0.0009751500000000, -0.0132849600000000, 0.0043179100000000 ] - [ -0.0004007400000000, 0.0002421700000000, -0.0012481000000000 ] - [ -0.0000693300000000, -0.0000998100000000, 0.0002569700000000 ] - [ -0.0001854900000000, -0.0000098900000000, -0.0000162000000000 ] - [ -0.0022901300000000, 0.0001874800000000, -0.0004629600000000 ] - [ -0.0001403900000000, 0.0000912500000000, 0.0001655700000000 ] - [ 0.0006635000000000, 0.0014048900000000, 0.0004524000000000 ] - [ -0.0000149500000000, -0.0002748300000000, 0.0000781900000000 ] - [ 0.0000245800000000, -0.0001150600000000, -0.0001217000000000 ] - [ -0.0002992800000000, 0.0002694600000000, -0.0002097800000000 ] - [ 0.0008520100000000, 0.0001169200000000, 0.0001922000000000 ] - [ -0.0000714800000000, -0.0002188500000000, 0.0002574900000000 ] - [ 0.0000026000000000, -0.0000951700000000, -0.0001024600000000 ] - [ 0.0000445500000000, 0.0001149000000000, -0.0001241500000000 ] - [ 0.0000237400000000, -0.0002200500000000, -0.0002706600000000 ] - [ -0.0001317600000000, 0.0000028200000000, 0.0001811500000000 ] - [ 0.0001423500000000, -0.0000993100000000, 0.0002190600000000 ] - [ 0.0001325000000000, 0.0000204800000000, 0.0000201600000000 ] - [ -0.0013479800000000, 0.0005312300000000, 0.0003685600000000 ] - [ 0.0002421200000000, -0.0004668000000000, -0.0001988400000000 ] - [ -0.0033077500000000, -0.0037951500000000, 0.0014071500000000 ] - [ 0.0002163600000000, -0.0000383200000000, -0.0000564700000000 ] - [ -0.0000565200000000, -0.0000988900000000, -0.0001285300000000 ] - [ 0.0000637200000000, -0.0000970200000000, 0.0001291500000000 ] - [ 0.0002166900000000, 0.0009681500000000, -0.0008339700000000 ] - [ -0.0027658800000000, -0.0006583000000000, 0.0004138800000000 ] - [ -0.0000747300000000, -0.0002161000000000, -0.0000760000000000 ] - [ -0.0053015300000000, 0.0030985500000000, -0.0011011000000000 ] - [ 0.0005152000000000, 0.0005509200000000, 0.0001460100000000 ] - [ 0.0004425500000000, -0.0002309400000000, 0.0019913500000000 ] - [ -0.0000750600000000, 0.0001546200000000, 0.0003200400000000 ] - [ -0.0000324500000000, -0.0000849300000000, 0.0000890900000000 ] - [ 0.0000323600000000, -0.0002518000000000, -0.0001015100000000 ] - [ 0.0000546500000000, -0.0000997900000000, -0.0002329400000000 ] - [ 0.0000153900000000, -0.0002528900000000, 0.0000243900000000 ] - [ 0.0005936400000000, 0.0004759000000000, -0.0018657000000000 ] - [ 0.0000332300000000, -0.0002255000000000, -0.0000965200000000 ] - [ 0.0004884400000000, 0.0002097400000000, 0.0002602800000000 ] - [ -0.0000564500000000, -0.0000344000000000, -0.0001096900000000 ] - [ 0.0000820500000000, 0.0000013200000000, -0.0000953800000000 ] - [ 0.0004885700000000, 0.0001013200000000, 0.0000557400000000 ] - [ -0.0094693300000000, 0.0003446200000000, -0.0004405200000000 ] - [ 0.0000309000000000, -0.0000709400000000, 0.0000897100000000 ] - [ -0.0000733900000000, -0.0000703000000000, -0.0003181900000000 ] - [ 0.0000625800000000, -0.0004754800000000, -0.0004408400000000 ] - [ -0.0000115700000000, -0.0001203600000000, 0.0000727700000000 ] - [ 0.0003352300000000, 0.0000701700000000, 0.0000676800000000 ] - [ -0.0000393800000000, -0.0001208200000000, 0.0001164600000000 ] - [ 0.0000980100000000, 0.0000023800000000, 0.0001464100000000 ] - [ 0.0006602900000000, -0.0009915300000000, -0.0004684000000000 ] - [ -0.0000139500000000, -0.0000373500000000, -0.0001059900000000 ]- atom: 11 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000158600000000, 0.0000936900000000, 0.0001021800000000 ] - [ -0.0002693700000000, -0.0003020700000000, -0.0002095600000000 ] - [ 0.0004926300000000, 0.0003568900000000, 0.0003101100000000 ] - [ -0.0002665900000000, 0.0002036900000000, -0.0005324900000000 ] - [ -0.0001252100000000, -0.0001320900000000, 0.0000553300000000 ] - [ -0.0002546900000000, 0.0002755400000000, 0.0004721600000000 ] - [ -0.0000595600000000, 0.0011419400000000, 0.0025277000000000 ] - [ 0.0003632200000000, -0.0002629300000000, -0.0002471500000000 ] - [ 0.0001699900000000, -0.0012582800000000, 0.0001517300000000 ] - [ 0.0002019400000000, 0.0007524300000000, 0.0002922100000000 ] - [ -0.0013845200000000, -0.0387233900000000, 0.0068236700000000 ] - [ -0.0000671200000000, 0.0012757700000000, 0.0000498500000000 ] - [ 0.0000704200000000, 0.0007061800000000, -0.0000562800000000 ] - [ 0.0000558000000000, 0.0002233000000000, 0.0003038300000000 ] - [ 0.0000557200000000, 0.0006681400000000, -0.0000475700000000 ] - [ -0.0000843000000000, 0.0002031100000000, -0.0001589100000000 ] - [ 0.0000563700000000, -0.0001289900000000, -0.0001065000000000 ] - [ -0.0000295000000000, -0.0002863000000000, -0.0000528700000000 ] - [ 0.0000579400000000, -0.0008174600000000, -0.0000726500000000 ] - [ -0.0001081600000000, 0.0008668700000000, -0.0000240500000000 ] - [ -0.0049531000000000, 0.0019470400000000, -0.0004983500000000 ] - [ -0.0000506200000000, -0.0000076600000000, 0.0000694500000000 ] - [ -0.0000038000000000, 0.0000953300000000, -0.0000214400000000 ] - [ 0.0039724000000000, 0.0013590600000000, 0.0010483000000000 ] - [ -0.0000026100000000, -0.0000309000000000, -0.0000413800000000 ] - [ -0.0000781800000000, 0.0000300600000000, -0.0001575500000000 ] - [ -0.0000121700000000, -0.0001601400000000, -0.0000208000000000 ] - [ 0.0000073000000000, -0.0001430700000000, 0.0002219400000000 ] - [ 0.0001230300000000, -0.0003008000000000, -0.0001341500000000 ] - [ 0.0000015000000000, -0.0002331300000000, -0.0000602200000000 ] - [ -0.0001214600000000, -0.0000958800000000, 0.0000365300000000 ] - [ 0.0000737600000000, 0.0003341700000000, -0.0000778700000000 ] - [ -0.0000232500000000, 0.0007650400000000, -0.0006603000000000 ] - [ 0.0000636800000000, -0.0002554500000000, 0.0000482200000000 ] - [ 0.0000156100000000, 0.0000156900000000, -0.0000261100000000 ] - [ -0.0002193600000000, 0.0005978900000000, 0.0001095700000000 ] - [ 0.0001308800000000, -0.0006064500000000, -0.0000800700000000 ] - [ -0.0000349000000000, -0.0001195700000000, -0.0000488500000000 ] - [ -0.0001822900000000, -0.0010930100000000, -0.0000021000000000 ] - [ 0.0001275700000000, 0.0000218300000000, -0.0000823600000000 ] - [ -0.0000070200000000, -0.0002189500000000, -0.0002075200000000 ] - [ 0.0000159300000000, 0.0003837000000000, 0.0000548900000000 ] - [ 0.0000134300000000, -0.0002180000000000, -0.0000083900000000 ] - [ -0.0000057200000000, -0.0003561800000000, 0.0000092700000000 ] - [ 0.0000109100000000, -0.0003576600000000, 0.0002886500000000 ] - [ -0.0000522600000000, -0.0001451200000000, -0.0001620000000000 ] - [ -0.0000043600000000, 0.0005482500000000, -0.0002487500000000 ] - [ 0.0000019800000000, -0.0011701100000000, 0.0003109700000000 ] - [ 0.0002171000000000, -0.0000888500000000, 0.0001316900000000 ] - [ 0.0002455800000000, -0.0001395300000000, 0.0001120700000000 ] - [ -0.0003759700000000, -0.0000405600000000, -0.0001132800000000 ] - [ 0.0014981000000000, 0.0000614000000000, 0.0000597600000000 ] - [ -0.0013486800000000, 0.0005053000000000, 0.0001937000000000 ] - [ 0.0030192200000000, 0.0110991400000000, -0.0083457700000000 ] - [ -0.0000973900000000, -0.0000365400000000, -0.0017264900000000 ] - [ -0.0002109100000000, -0.0001410600000000, -0.0002636100000000 ] - [ -0.0023866900000000, 0.0050029700000000, 0.0061021800000000 ] - [ 0.0000687600000000, -0.0001266300000000, -0.0001258200000000 ] - [ 0.0000299100000000, -0.0002543200000000, -0.0002393500000000 ] - [ -0.0000817200000000, -0.0001843700000000, 0.0001505500000000 ] - [ -0.0110676300000000, 0.0090425100000000, -0.0040049400000000 ] - [ 0.0120074000000000, 0.0094417800000000, -0.0034718100000000 ] - [ -0.0001780200000000, 0.0000560900000000, -0.0017698800000000 ] - [ -0.0000059000000000, -0.0001214400000000, 0.0001973400000000 ] - [ 0.0000802700000000, -0.0002420800000000, -0.0002148800000000 ] - [ 0.0002449300000000, 0.0002148500000000, -0.0012987600000000 ] - [ -0.0002793000000000, 0.0006809800000000, 0.0001880800000000 ] - [ -0.0006632400000000, -0.0013654800000000, -0.0007526200000000 ] - [ -0.0000571500000000, -0.0003169300000000, 0.0002042100000000 ] - [ 0.0000440400000000, -0.0000477500000000, -0.0000236300000000 ] - [ 0.0001455900000000, -0.0006905500000000, 0.0003758200000000 ] - [ -0.0000969100000000, 0.0000448300000000, 0.0003044700000000 ] - [ -0.0000348100000000, -0.0002253800000000, 0.0003584500000000 ] - [ 0.0000147100000000, -0.0000734600000000, -0.0000146100000000 ] - [ -0.0001598900000000, -0.0022059300000000, -0.0009257200000000 ] - [ 0.0000661200000000, -0.0002174900000000, -0.0002178300000000 ] - [ -0.0001875000000000, -0.0004806200000000, 0.0002950800000000 ] - [ 0.0000269700000000, -0.0000924400000000, 0.0000845300000000 ] - [ 0.0001198700000000, 0.0001643100000000, 0.0000332000000000 ] - [ -0.0003063800000000, 0.0005147500000000, -0.0020734800000000 ] - [ 0.0023384500000000, 0.0000547600000000, 0.0000315000000000 ] - [ 0.0005134000000000, 0.0038323400000000, 0.0000168800000000 ] - [ 0.0001396900000000, -0.0010133200000000, -0.0002003000000000 ] - [ -0.0001065800000000, -0.0001151000000000, 0.0000702100000000 ] - [ 0.0000716300000000, -0.0001028200000000, 0.0000746500000000 ] - [ -0.0025784000000000, -0.0001984800000000, 0.0001513600000000 ] - [ 0.0003929900000000, 0.0014891100000000, 0.0018126200000000 ] - [ -0.0000297700000000, -0.0002314400000000, 0.0001125800000000 ] - [ -0.0000915100000000, 0.0041082500000000, -0.0000949800000000 ] - [ 0.0000528900000000, 0.0011444700000000, -0.0000945700000000 ] - [ 0.0008227100000000, -0.0001232800000000, 0.0023538400000000 ] - [ -0.0002113200000000, 0.0002785000000000, -0.0001249800000000 ] - [ 0.0000010400000000, 0.0000570400000000, 0.0000647000000000 ] - [ 0.0000139800000000, -0.0002253500000000, -0.0000306100000000 ] - [ 0.0000314500000000, -0.0000981800000000, -0.0003376500000000 ] - [ -0.0000188700000000, -0.0004028600000000, 0.0000150500000000 ] - [ -0.0007184900000000, -0.0001506700000000, 0.0024108000000000 ] - [ 0.0000476500000000, -0.0002189700000000, -0.0000300400000000 ] - [ -0.0000622600000000, 0.0002452100000000, -0.0002811200000000 ] - [ -0.0000644800000000, -0.0004281400000000, -0.0001731500000000 ] - [ 0.0001136500000000, -0.0001368300000000, -0.0001031000000000 ] - [ -0.0001305500000000, 0.0011859300000000, 0.0002563700000000 ] - [ 0.0001229400000000, -0.0003609800000000, 0.0010368000000000 ] - [ 0.0000303200000000, -0.0001123600000000, 0.0001426700000000 ] - [ 0.0001933900000000, 0.0008130500000000, 0.0000948000000000 ] - [ 0.0001051400000000, 0.0000486200000000, -0.0002891200000000 ] - [ 0.0000245900000000, -0.0001347600000000, 0.0002490900000000 ] - [ -0.0000898200000000, -0.0008746400000000, 0.0001334700000000 ] - [ -0.0000388500000000, -0.0001768900000000, 0.0001697500000000 ] - [ 0.0004160400000000, -0.0021446400000000, 0.0008147300000000 ] - [ 0.0007572200000000, -0.0012197100000000, -0.0006547900000000 ] - [ -0.0000365200000000, 0.0000326300000000, -0.0000464800000000 ]- atom: 11 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000044000000000, 0.0001577400000000, 0.0003344900000000 ] - [ -0.0002506800000000, -0.0002855000000000, 0.0000868100000000 ] - [ 0.0000288800000000, 0.0002222500000000, -0.0002201400000000 ] - [ 0.0002445100000000, 0.0000479200000000, 0.0000925700000000 ] - [ 0.0001029300000000, -0.0001246700000000, -0.0004808800000000 ] - [ -0.0002669200000000, 0.0003136500000000, -0.0006010700000000 ] - [ 0.0000829600000000, -0.0014009300000000, -0.0021113200000000 ] - [ 0.0001580100000000, -0.0003274800000000, 0.0003723700000000 ] - [ -0.0001456000000000, 0.0014743200000000, -0.0001238000000000 ] - [ -0.0000832800000000, -0.0004690900000000, -0.0001054200000000 ] - [ 0.0014072200000000, 0.0393278700000000, -0.0069836300000000 ] - [ 0.0000667900000000, -0.0013113000000000, -0.0000776700000000 ] - [ -0.0003304800000000, -0.0006303000000000, 0.0001454800000000 ] - [ 0.0000865000000000, -0.0003871900000000, -0.0001275100000000 ] - [ 0.0000612500000000, -0.0004960700000000, -0.0001221300000000 ] - [ -0.0000892600000000, -0.0000095700000000, -0.0000094800000000 ] - [ 0.0000611200000000, -0.0000414900000000, -0.0000567900000000 ] - [ -0.0000081300000000, 0.0000660300000000, 0.0000333500000000 ] - [ -0.0001822100000000, 0.0009604300000000, 0.0002143000000000 ] - [ 0.0001111300000000, -0.0002981400000000, 0.0000986600000000 ] - [ 0.0049359100000000, -0.0016158600000000, 0.0009550800000000 ] - [ -0.0000682600000000, -0.0001620500000000, 0.0000941000000000 ] - [ 0.0000060600000000, -0.0000606400000000, 0.0000455400000000 ] - [ -0.0039801900000000, -0.0009909400000000, -0.0010403200000000 ] - [ -0.0000001300000000, 0.0000670700000000, 0.0000168000000000 ] - [ -0.0000409000000000, -0.0003140400000000, -0.0000323000000000 ] - [ -0.0000212400000000, -0.0002134200000000, 0.0000337600000000 ] - [ 0.0000148900000000, -0.0001921300000000, 0.0002477600000000 ] - [ 0.0000520800000000, 0.0004970400000000, 0.0003014500000000 ] - [ -0.0000035800000000, -0.0003297500000000, -0.0000125900000000 ] - [ -0.0001354400000000, 0.0000446600000000, 0.0000821400000000 ] - [ 0.0000232600000000, -0.0004190200000000, 0.0002645600000000 ] - [ -0.0000001100000000, -0.0004267900000000, 0.0001901200000000 ] - [ 0.0000563300000000, -0.0000445800000000, 0.0001569200000000 ] - [ 0.0000204900000000, -0.0002157200000000, 0.0000645200000000 ] - [ 0.0001214600000000, -0.0005156500000000, -0.0003004600000000 ] - [ 0.0001257200000000, 0.0006496000000000, -0.0000459100000000 ] - [ -0.0000682700000000, 0.0003817100000000, -0.0001390800000000 ] - [ 0.0001926900000000, 0.0010460100000000, 0.0000166800000000 ] - [ 0.0001299000000000, -0.0000740500000000, -0.0000373600000000 ] - [ -0.0000144600000000, -0.0001163000000000, -0.0002619600000000 ] - [ -0.0000245800000000, -0.0001355300000000, -0.0000660500000000 ] - [ 0.0000194300000000, -0.0001566300000000, -0.0000030800000000 ] - [ 0.0000076900000000, -0.0002064800000000, 0.0000635200000000 ] - [ 0.0000681800000000, 0.0004141200000000, -0.0000959700000000 ] - [ -0.0000453100000000, 0.0000620300000000, -0.0000274200000000 ] - [ 0.0000376100000000, -0.0001682700000000, 0.0002339900000000 ] - [ -0.0001692800000000, 0.0009734800000000, -0.0004722800000000 ] - [ 0.0002181700000000, -0.0001473100000000, 0.0001212700000000 ] - [ 0.0002908200000000, -0.0000934000000000, 0.0002311500000000 ] - [ -0.0001858000000000, -0.0001852000000000, -0.0002283300000000 ] - [ -0.0016260600000000, 0.0001323800000000, 0.0004020900000000 ] - [ 0.0015169800000000, -0.0000616500000000, -0.0004571100000000 ] - [ -0.0024332100000000, -0.0106925500000000, 0.0085340700000000 ] - [ -0.0004590000000000, 0.0002669700000000, 0.0013923500000000 ] - [ -0.0002263500000000, -0.0000917200000000, 0.0000019900000000 ] - [ 0.0019450200000000, -0.0046839300000000, -0.0063137700000000 ] - [ 0.0000621700000000, -0.0000664600000000, -0.0003506200000000 ] - [ 0.0001506900000000, -0.0001648300000000, -0.0000207100000000 ] - [ -0.0000950700000000, -0.0002357600000000, 0.0001039500000000 ] - [ 0.0110384700000000, -0.0087413300000000, 0.0043252700000000 ] - [ -0.0117344800000000, -0.0093338400000000, 0.0037901500000000 ] - [ 0.0003180800000000, 0.0001491400000000, 0.0012862100000000 ] - [ -0.0001047800000000, -0.0000811300000000, 0.0002957600000000 ] - [ -0.0002884600000000, 0.0002884700000000, 0.0001438500000000 ] - [ -0.0003790800000000, 0.0002930800000000, 0.0011377500000000 ] - [ 0.0000719700000000, -0.0007239700000000, -0.0002595800000000 ] - [ 0.0006631500000000, 0.0015789200000000, 0.0005954000000000 ] - [ 0.0000186900000000, -0.0002157300000000, -0.0000349900000000 ] - [ 0.0000386800000000, -0.0001772900000000, -0.0002501300000000 ] - [ -0.0003774300000000, 0.0007231000000000, -0.0002409400000000 ] - [ -0.0000148100000000, 0.0001506200000000, 0.0001494500000000 ] - [ -0.0001178400000000, -0.0002193300000000, 0.0001593100000000 ] - [ -0.0000148100000000, -0.0001484600000000, -0.0001394800000000 ] - [ 0.0002684000000000, 0.0024200100000000, 0.0006681800000000 ] - [ 0.0000861100000000, -0.0002277800000000, -0.0003013000000000 ] - [ 0.0002257400000000, 0.0009763300000000, -0.0003922500000000 ] - [ -0.0001336800000000, -0.0001043400000000, 0.0003704600000000 ] - [ 0.0000861100000000, -0.0001200400000000, 0.0000316200000000 ] - [ 0.0003807500000000, -0.0002709400000000, 0.0022735000000000 ] - [ -0.0024827800000000, 0.0003854100000000, 0.0004827200000000 ] - [ -0.0004444200000000, -0.0037737300000000, 0.0001929000000000 ] - [ -0.0002227500000000, 0.0010970400000000, 0.0000140800000000 ] - [ -0.0000231600000000, -0.0000941500000000, -0.0002574300000000 ] - [ 0.0000587600000000, -0.0001062000000000, 0.0001177000000000 ] - [ 0.0026815400000000, 0.0003904800000000, -0.0006035200000000 ] - [ -0.0001603600000000, -0.0014005100000000, -0.0019619100000000 ] - [ -0.0001004800000000, -0.0002111500000000, -0.0001773100000000 ] - [ -0.0000013700000000, -0.0039146700000000, 0.0003728000000000 ] - [ -0.0001629400000000, -0.0005991300000000, 0.0003313600000000 ] - [ -0.0006943600000000, 0.0005656300000000, -0.0022851400000000 ] - [ -0.0000180600000000, -0.0003097100000000, 0.0002627300000000 ] - [ -0.0000076100000000, -0.0002271900000000, 0.0001298900000000 ] - [ 0.0000260800000000, -0.0003102600000000, -0.0001400200000000 ] - [ 0.0000775700000000, -0.0000961000000000, -0.0001656000000000 ] - [ -0.0000238300000000, -0.0001253200000000, 0.0000697400000000 ] - [ 0.0008525700000000, 0.0003589300000000, -0.0022236200000000 ] - [ 0.0000824500000000, -0.0002230500000000, 0.0000985600000000 ] - [ -0.0000611000000000, 0.0001955400000000, 0.0002285200000000 ] - [ 0.0000711500000000, 0.0002585800000000, -0.0000212200000000 ] - [ 0.0001127400000000, 0.0001077300000000, -0.0000367500000000 ] - [ 0.0000868400000000, -0.0006479800000000, -0.0001549100000000 ] - [ 0.0000259300000000, 0.0005038300000000, -0.0014991800000000 ] - [ 0.0000301800000000, 0.0000219200000000, 0.0000632500000000 ] - [ -0.0001888200000000, -0.0006476200000000, -0.0002937200000000 ] - [ -0.0000646000000000, -0.0005833100000000, 0.0001891300000000 ] - [ -0.0000262900000000, -0.0000824300000000, -0.0000945200000000 ] - [ 0.0002941700000000, 0.0008219700000000, -0.0000595600000000 ] - [ -0.0000448000000000, -0.0000450000000000, 0.0001038700000000 ] - [ -0.0004195100000000, 0.0023092900000000, -0.0006212800000000 ] - [ -0.0007162300000000, 0.0017495700000000, 0.0004826200000000 ] - [ -0.0000247300000000, -0.0001267800000000, -0.0001590700000000 ]- atom: 11 displacement: [ -0.0000185648863736, 0.0000000000000000, 0.0099999827672348 ] forces: - [ -0.0000051400000000, 0.0001263500000000, 0.0004677400000000 ] - [ -0.0002481400000000, -0.0002748300000000, 0.0001617900000000 ] - [ 0.0005200500000000, 0.0003496000000000, 0.0004007900000000 ] - [ 0.0002910400000000, 0.0000525100000000, 0.0000763100000000 ] - [ -0.0001113300000000, -0.0000616300000000, 0.0000475300000000 ] - [ -0.0003137000000000, 0.0004656600000000, -0.0004871200000000 ] - [ -0.0000230300000000, 0.0017451100000000, 0.0015860700000000 ] - [ 0.0001719700000000, -0.0003740100000000, 0.0002775700000000 ] - [ -0.0033939700000000, 0.0000188200000000, 0.0018059300000000 ] - [ -0.0001746700000000, -0.0000238200000000, -0.0001403000000000 ] - [ 0.0012117200000000, 0.0071196100000000, -0.0135882300000000 ] - [ 0.0000845200000000, -0.0001195500000000, -0.0004780000000000 ] - [ -0.0000401200000000, 0.0000597900000000, -0.0000179100000000 ] - [ 0.0000461000000000, -0.0000373100000000, 0.0003090200000000 ] - [ 0.0000269100000000, -0.0000645500000000, -0.0002893900000000 ] - [ -0.0001014800000000, 0.0000974100000000, 0.0000856200000000 ] - [ 0.0000652600000000, -0.0001078400000000, 0.0000218500000000 ] - [ -0.0000215500000000, -0.0001238100000000, 0.0000175500000000 ] - [ 0.0016532800000000, -0.0001189300000000, 0.0014506300000000 ] - [ -0.0000770300000000, 0.0003439000000000, 0.0001037600000000 ] - [ 0.0010859600000000, -0.0005367900000000, -0.0015747200000000 ] - [ -0.0000520100000000, -0.0000584900000000, 0.0001870600000000 ] - [ -0.0000151700000000, 0.0000322300000000, 0.0001282500000000 ] - [ 0.0016584900000000, 0.0014231400000000, -0.0012036100000000 ] - [ -0.0000089800000000, -0.0000069600000000, 0.0000979000000000 ] - [ -0.0000425500000000, -0.0001269500000000, -0.0001058000000000 ] - [ -0.0000145100000000, -0.0001672100000000, 0.0001027900000000 ] - [ 0.0000084000000000, -0.0001389900000000, 0.0003453000000000 ] - [ 0.0000797300000000, 0.0000509000000000, 0.0007775400000000 ] - [ -0.0000059500000000, -0.0002571400000000, 0.0000596400000000 ] - [ -0.0001261200000000, -0.0000507000000000, 0.0001736200000000 ] - [ 0.0000035400000000, 0.0000374200000000, 0.0003687800000000 ] - [ -0.0000149100000000, -0.0000146100000000, -0.0000748700000000 ] - [ 0.0000776100000000, -0.0001426200000000, 0.0002735700000000 ] - [ 0.0000276200000000, -0.0001029300000000, 0.0001819300000000 ] - [ 0.0002144400000000, -0.0000888100000000, -0.0004171600000000 ] - [ 0.0001162000000000, 0.0000820500000000, -0.0002289100000000 ] - [ -0.0000485700000000, 0.0001617300000000, 0.0000241000000000 ] - [ -0.0024254700000000, 0.0000203300000000, 0.0020648300000000 ] - [ 0.0001345900000000, -0.0000127300000000, 0.0000384300000000 ] - [ -0.0000130100000000, -0.0001696600000000, -0.0000946100000000 ] - [ 0.0000139100000000, 0.0001121400000000, 0.0001083900000000 ] - [ 0.0000203700000000, -0.0001945400000000, 0.0000871100000000 ] - [ 0.0000070600000000, -0.0003079700000000, 0.0001457500000000 ] - [ 0.0000273700000000, -0.0000541200000000, 0.0005826900000000 ] - [ -0.0000648700000000, -0.0000478600000000, 0.0000936500000000 ] - [ 0.0000161500000000, 0.0002295900000000, -0.0000467500000000 ] - [ 0.0023551100000000, 0.0001114700000000, 0.0013253500000000 ] - [ 0.0001657400000000, -0.0000794900000000, 0.0005881200000000 ] - [ 0.0002575800000000, -0.0000371500000000, 0.0006781900000000 ] - [ -0.0002738500000000, -0.0000452000000000, 0.0002069400000000 ] - [ -0.0015647800000000, 0.0000679600000000, -0.0008435400000000 ] - [ -0.0010225300000000, 0.0000932300000000, -0.0013205600000000 ] - [ -0.0025393800000000, -0.0097531400000000, -0.0027763000000000 ] - [ -0.0003260500000000, -0.0000199100000000, -0.0001047600000000 ] - [ -0.0002846500000000, -0.0001889000000000, 0.0003524100000000 ] - [ -0.0017564000000000, 0.0061505100000000, -0.0035251200000000 ] - [ 0.0000142800000000, 0.0000884000000000, 0.0001561400000000 ] - [ 0.0001518500000000, -0.0002531300000000, 0.0003149000000000 ] - [ -0.0000687900000000, -0.0001426800000000, 0.0005974200000000 ] - [ 0.0035746700000000, -0.0033797300000000, -0.0008716800000000 ] - [ -0.0034245500000000, -0.0030405800000000, -0.0014062000000000 ] - [ 0.0000862200000000, 0.0000511000000000, -0.0001260800000000 ] - [ -0.0000194700000000, -0.0000897600000000, 0.0007229800000000 ] - [ 0.0001635200000000, -0.0000447600000000, -0.0001549900000000 ] - [ -0.0021224600000000, 0.0002059200000000, 0.0076955800000000 ] - [ -0.0001820000000000, 0.0000564600000000, -0.0002853400000000 ] - [ 0.0001801000000000, 0.0006722100000000, 0.0004191000000000 ] - [ 0.0000563200000000, -0.0003973800000000, -0.0001395500000000 ] - [ 0.0000147700000000, 0.0000786400000000, -0.0003817100000000 ] - [ -0.0001267500000000, 0.0000691200000000, -0.0001152300000000 ] - [ -0.0000281200000000, 0.0001093000000000, 0.0001292200000000 ] - [ -0.0001033400000000, -0.0002232900000000, 0.0001453100000000 ] - [ -0.0000762000000000, 0.0000370300000000, -0.0003402100000000 ] - [ -0.0001263900000000, -0.0004738700000000, 0.0000777800000000 ] - [ 0.0000716700000000, -0.0002237000000000, -0.0003626200000000 ] - [ 0.0000249300000000, 0.0002778400000000, -0.0002571700000000 ] - [ -0.0000000400000000, -0.0000634100000000, 0.0003132200000000 ] - [ 0.0001447700000000, -0.0001153000000000, -0.0002265200000000 ] - [ 0.0011166200000000, -0.0055603300000000, -0.0014793200000000 ] - [ 0.0014354700000000, -0.0001079300000000, 0.0001615200000000 ] - [ 0.0000091200000000, -0.0000747300000000, 0.0036076100000000 ] - [ 0.0000098200000000, 0.0001609200000000, -0.0000520200000000 ] - [ 0.0001282500000000, -0.0000925000000000, -0.0008828800000000 ] - [ 0.0002554300000000, -0.0001131700000000, -0.0006567800000000 ] - [ 0.0022971000000000, 0.0004656300000000, -0.0003428100000000 ] - [ 0.0013910200000000, 0.0054699000000000, 0.0008438100000000 ] - [ -0.0002493100000000, -0.0001904200000000, -0.0007715400000000 ] - [ -0.0000365900000000, -0.0001774500000000, 0.0035400000000000 ] - [ -0.0001675900000000, 0.0001501600000000, 0.0001967400000000 ] - [ -0.0002826100000000, 0.0003441200000000, 0.0002150300000000 ] - [ -0.0004506700000000, -0.0002804200000000, -0.0003910700000000 ] - [ -0.0000352000000000, -0.0002584700000000, -0.0002180900000000 ] - [ 0.0001026400000000, -0.0001156300000000, -0.0003428400000000 ] - [ 0.0000711200000000, -0.0001009500000000, -0.0003828700000000 ] - [ 0.0000305200000000, -0.0001514900000000, -0.0002472400000000 ] - [ 0.0003829900000000, 0.0002285700000000, 0.0003724700000000 ] - [ -0.0001317200000000, -0.0002503300000000, -0.0007367900000000 ] - [ 0.0004550500000000, 0.0003097700000000, 0.0020924300000000 ] - [ -0.0002266200000000, -0.0000141700000000, -0.0002621300000000 ] - [ 0.0000685700000000, 0.0000900200000000, -0.0003584000000000 ] - [ -0.0000740900000000, 0.0002043700000000, 0.0002274900000000 ] - [ 0.0002093300000000, 0.0008512200000000, 0.0021962000000000 ] - [ 0.0000605400000000, -0.0002286500000000, -0.0001012900000000 ] - [ 0.0001494500000000, 0.0002309100000000, -0.0003603000000000 ] - [ 0.0004982900000000, -0.0006389600000000, -0.0006514900000000 ] - [ -0.0000521100000000, -0.0002420300000000, -0.0001711600000000 ] - [ 0.0001793600000000, 0.0001489800000000, 0.0001887600000000 ] - [ -0.0000660000000000, -0.0002797500000000, -0.0000601800000000 ] - [ -0.0002996200000000, 0.0009378800000000, 0.0003069900000000 ] - [ -0.0002177600000000, 0.0009281000000000, 0.0003985600000000 ] - [ 0.0000033900000000, 0.0001161000000000, -0.0002695900000000 ]- atom: 11 displacement: [ 0.0000185648863736, 0.0000000000000000, -0.0099999827672348 ] forces: - [ 0.0000274200000000, 0.0001247700000000, -0.0000300900000000 ] - [ -0.0002732700000000, -0.0003144800000000, -0.0002980000000000 ] - [ 0.0000029700000000, 0.0002419200000000, -0.0002636900000000 ] - [ -0.0003125900000000, 0.0002018600000000, -0.0005125900000000 ] - [ 0.0000889100000000, -0.0001899900000000, -0.0004837500000000 ] - [ -0.0002075800000000, 0.0001251500000000, 0.0003580300000000 ] - [ 0.0000455200000000, -0.0020184300000000, -0.0011542900000000 ] - [ 0.0003489600000000, -0.0002165100000000, -0.0001411300000000 ] - [ 0.0034699100000000, 0.0002050400000000, -0.0017974900000000 ] - [ 0.0002929200000000, 0.0003064600000000, 0.0003331700000000 ] - [ -0.0012067300000000, -0.0066959700000000, 0.0136752600000000 ] - [ -0.0000856500000000, 0.0000877400000000, 0.0004538900000000 ] - [ -0.0002160300000000, -0.0000037800000000, 0.0001393000000000 ] - [ 0.0001286500000000, -0.0001554200000000, -0.0001387500000000 ] - [ 0.0000923300000000, 0.0002338200000000, 0.0001272800000000 ] - [ -0.0000733600000000, 0.0000963900000000, -0.0002533200000000 ] - [ 0.0000511600000000, -0.0000612100000000, -0.0001864300000000 ] - [ -0.0000163400000000, -0.0000967100000000, -0.0000343400000000 ] - [ -0.0017496700000000, 0.0002860100000000, -0.0012722600000000 ] - [ 0.0000791100000000, 0.0002216700000000, -0.0000285100000000 ] - [ -0.0010389000000000, 0.0008415800000000, 0.0020533900000000 ] - [ -0.0000663400000000, -0.0001096900000000, -0.0000229900000000 ] - [ 0.0000152500000000, 0.0000007300000000, -0.0001011200000000 ] - [ -0.0017054600000000, -0.0010648800000000, 0.0011984400000000 ] - [ 0.0000102900000000, 0.0000408700000000, -0.0001242300000000 ] - [ -0.0000752700000000, -0.0001562300000000, -0.0000818300000000 ] - [ -0.0000192400000000, -0.0002010400000000, -0.0000908100000000 ] - [ 0.0000141300000000, -0.0001896400000000, 0.0001223100000000 ] - [ 0.0000951400000000, 0.0001501800000000, -0.0006150300000000 ] - [ 0.0000033300000000, -0.0003065700000000, -0.0001334600000000 ] - [ -0.0001293700000000, -0.0000042700000000, -0.0000485300000000 ] - [ 0.0000929600000000, -0.0001230300000000, -0.0001755600000000 ] - [ -0.0000077600000000, 0.0003412700000000, -0.0003933200000000 ] - [ 0.0000423900000000, -0.0001421900000000, -0.0000812600000000 ] - [ 0.0000097300000000, -0.0001151600000000, -0.0001663500000000 ] - [ -0.0003119200000000, 0.0001729800000000, 0.0002268500000000 ] - [ 0.0001396100000000, -0.0000285600000000, 0.0001048700000000 ] - [ -0.0000713900000000, 0.0001225100000000, -0.0002167100000000 ] - [ 0.0023926400000000, -0.0000522900000000, -0.0020179600000000 ] - [ 0.0001220100000000, -0.0000432400000000, -0.0001624300000000 ] - [ -0.0000095800000000, -0.0001572400000000, -0.0003719500000000 ] - [ -0.0000510200000000, 0.0001068600000000, -0.0001226200000000 ] - [ 0.0000127400000000, -0.0001747000000000, -0.0000978900000000 ] - [ -0.0000040900000000, -0.0002561500000000, -0.0000687900000000 ] - [ 0.0000696700000000, 0.0001324600000000, -0.0003916100000000 ] - [ -0.0000326700000000, -0.0000315700000000, -0.0002814100000000 ] - [ 0.0000169000000000, 0.0001419200000000, 0.0000337600000000 ] - [ -0.0025589100000000, -0.0003093400000000, -0.0015044100000000 ] - [ 0.0002774100000000, -0.0001547700000000, -0.0003245800000000 ] - [ 0.0003137700000000, -0.0001885300000000, -0.0003344300000000 ] - [ -0.0002985500000000, -0.0001805000000000, -0.0005500800000000 ] - [ 0.0014290300000000, 0.0001274000000000, 0.0013165200000000 ] - [ 0.0012049700000000, 0.0003221700000000, 0.0010540700000000 ] - [ 0.0031161000000000, 0.0100354500000000, 0.0031060800000000 ] - [ -0.0002462900000000, 0.0002442800000000, -0.0002431200000000 ] - [ -0.0001611000000000, -0.0000419200000000, -0.0006182500000000 ] - [ 0.0012942200000000, -0.0058537300000000, 0.0032419900000000 ] - [ 0.0001277200000000, -0.0002844700000000, -0.0006300100000000 ] - [ 0.0000362400000000, -0.0001613300000000, -0.0005799600000000 ] - [ -0.0001170000000000, -0.0002730100000000, -0.0003337600000000 ] - [ -0.0037840900000000, 0.0038229200000000, 0.0010948300000000 ] - [ 0.0039004700000000, 0.0033104000000000, 0.0016280000000000 ] - [ 0.0000535400000000, 0.0001436100000000, -0.0003510600000000 ] - [ -0.0001209700000000, -0.0001070100000000, -0.0002492000000000 ] - [ -0.0003632800000000, 0.0001023100000000, 0.0000841200000000 ] - [ 0.0019847700000000, -0.0000007100000000, -0.0078800800000000 ] - [ -0.0000167600000000, -0.0001065500000000, 0.0002157300000000 ] - [ -0.0001829200000000, -0.0004642700000000, -0.0005859900000000 ] - [ -0.0000986400000000, -0.0001299800000000, 0.0003200300000000 ] - [ 0.0000647500000000, -0.0003098100000000, 0.0001153100000000 ] - [ -0.0001068800000000, -0.0000398800000000, 0.0002563500000000 ] - [ -0.0000771500000000, 0.0000868600000000, 0.0003301500000000 ] - [ -0.0000523700000000, -0.0002179800000000, 0.0003762300000000 ] - [ 0.0000733400000000, -0.0002545000000000, 0.0001784300000000 ] - [ 0.0002048000000000, 0.0006936200000000, -0.0003436700000000 ] - [ 0.0000841600000000, -0.0002182000000000, -0.0001573900000000 ] - [ 0.0000190100000000, 0.0002565600000000, 0.0001623500000000 ] - [ -0.0001065400000000, -0.0001327400000000, 0.0001411900000000 ] - [ 0.0000517500000000, 0.0001701400000000, 0.0002991100000000 ] - [ -0.0011113300000000, 0.0057300700000000, 0.0016320600000000 ] - [ -0.0015817300000000, 0.0005470600000000, 0.0003617600000000 ] - [ 0.0000455100000000, 0.0001684400000000, -0.0034074600000000 ] - [ -0.0000652300000000, -0.0000657300000000, -0.0001459700000000 ] - [ -0.0002588600000000, -0.0001104100000000, 0.0006899100000000 ] - [ -0.0001257800000000, -0.0000895300000000, 0.0008537000000000 ] - [ -0.0022012600000000, -0.0002719400000000, -0.0001144300000000 ] - [ -0.0011713300000000, -0.0053534600000000, -0.0011406100000000 ] - [ 0.0001202900000000, -0.0002471500000000, 0.0007058500000000 ] - [ -0.0000319500000000, 0.0004054200000000, -0.0032719500000000 ] - [ 0.0001266200000000, 0.0003799600000000, -0.0000155000000000 ] - [ 0.0004122800000000, 0.0000960600000000, -0.0001303900000000 ] - [ 0.0002183500000000, 0.0002487900000000, 0.0005335000000000 ] - [ 0.0000379100000000, 0.0000965700000000, 0.0004125000000000 ] - [ -0.0000593800000000, -0.0004131300000000, 0.0001634700000000 ] - [ 0.0000339800000000, -0.0000955700000000, -0.0000727400000000 ] - [ -0.0000756900000000, -0.0003856300000000, 0.0003463800000000 ] - [ -0.0002542000000000, -0.0000213500000000, -0.0001593800000000 ] - [ 0.0002622800000000, -0.0001862700000000, 0.0008073400000000 ] - [ -0.0005851700000000, 0.0001290300000000, -0.0021582500000000 ] - [ 0.0002259700000000, -0.0001457700000000, 0.0000687400000000 ] - [ 0.0001668000000000, -0.0001226600000000, 0.0002214500000000 ] - [ 0.0000286200000000, 0.0003333300000000, -0.0001304800000000 ] - [ -0.0000521900000000, -0.0004405600000000, -0.0027050000000000 ] - [ -0.0000037500000000, 0.0001326500000000, 0.0003004800000000 ] - [ -0.0001494100000000, -0.0000635900000000, 0.0001671600000000 ] - [ -0.0004583800000000, 0.0001044700000000, 0.0005600800000000 ] - [ 0.0000529200000000, 0.0000268500000000, 0.0003339800000000 ] - [ 0.0000175200000000, -0.0002039100000000, -0.0001168100000000 ] - [ -0.0000138400000000, 0.0000520800000000, 0.0003293000000000 ] - [ 0.0003031100000000, -0.0007704200000000, -0.0001091500000000 ] - [ 0.0002617500000000, -0.0004084400000000, -0.0005820200000000 ] - [ -0.0000594700000000, -0.0002150200000000, 0.0000719100000000 ]- atom: 12 displacement: [ 0.0099999995909515, 0.0000000000000000, -0.0000028602394792 ] forces: - [ -0.0000682200000000, 0.0001261200000000, 0.0001949100000000 ] - [ -0.0002220500000000, -0.0002994200000000, -0.0000941100000000 ] - [ 0.0003053000000000, 0.0002395100000000, 0.0000929200000000 ] - [ -0.0000850300000000, 0.0002338700000000, -0.0001702900000000 ] - [ -0.0000338400000000, -0.0001574700000000, -0.0002494400000000 ] - [ 0.0004236000000000, 0.0002653400000000, -0.0000403100000000 ] - [ -0.0008301800000000, 0.0001077900000000, -0.0000896200000000 ] - [ 0.0002767200000000, -0.0002848700000000, 0.0000422500000000 ] - [ 0.0000753300000000, 0.0001231900000000, -0.0001143600000000 ] - [ 0.0018217900000000, -0.0001175800000000, -0.0021693600000000 ] - [ -0.0002331100000000, 0.0002170700000000, 0.0000445200000000 ] - [ -0.0115877000000000, 0.0041758800000000, 0.0018055700000000 ] - [ 0.0023084600000000, -0.0002040400000000, 0.0030450100000000 ] - [ 0.0000470600000000, -0.0000741000000000, 0.0001208500000000 ] - [ 0.0014204200000000, -0.0000047800000000, -0.0000604200000000 ] - [ -0.0000851600000000, 0.0001154100000000, -0.0001310700000000 ] - [ 0.0000674600000000, -0.0000808100000000, -0.0000929200000000 ] - [ -0.0000208300000000, -0.0001114300000000, -0.0000068600000000 ] - [ -0.0000446800000000, 0.0002132500000000, 0.0001964800000000 ] - [ 0.0009931900000000, 0.0004698700000000, -0.0023582000000000 ] - [ 0.0000585100000000, 0.0008175300000000, 0.0003927600000000 ] - [ -0.0000624900000000, -0.0000917300000000, 0.0000674400000000 ] - [ -0.0000016000000000, 0.0000266400000000, 0.0000073400000000 ] - [ 0.0001724000000000, -0.0000760700000000, 0.0001178400000000 ] - [ -0.0000026800000000, 0.0000164300000000, -0.0000259100000000 ] - [ -0.0000260600000000, -0.0001432900000000, -0.0000749400000000 ] - [ -0.0000165500000000, -0.0001879700000000, -0.0000045300000000 ] - [ 0.0000103100000000, -0.0001651900000000, 0.0002216700000000 ] - [ 0.0000962200000000, 0.0000866800000000, 0.0000059000000000 ] - [ -0.0000041300000000, -0.0002818500000000, -0.0000480300000000 ] - [ -0.0001294900000000, -0.0000236200000000, 0.0000481700000000 ] - [ 0.0000263300000000, -0.0000394700000000, 0.0000546500000000 ] - [ -0.0006244400000000, 0.0002832700000000, -0.0000603700000000 ] - [ 0.0000598500000000, -0.0001218200000000, 0.0001126800000000 ] - [ 0.0000206600000000, -0.0001257200000000, 0.0000125100000000 ] - [ 0.0019320300000000, -0.0000515200000000, 0.0035010500000000 ] - [ 0.0005023200000000, 0.0000392700000000, -0.0000400600000000 ] - [ 0.0000160600000000, 0.0001420100000000, -0.0001321300000000 ] - [ -0.0000537100000000, -0.0001263600000000, -0.0000781000000000 ] - [ 0.0001321900000000, -0.0000286800000000, -0.0000697600000000 ] - [ -0.0000204100000000, -0.0001676700000000, -0.0002490900000000 ] - [ 0.0000466800000000, 0.0001093300000000, -0.0000310700000000 ] - [ 0.0000234800000000, -0.0001865200000000, -0.0000142400000000 ] - [ 0.0000014900000000, -0.0002880300000000, 0.0000236400000000 ] - [ -0.0000386700000000, 0.0000321500000000, 0.0000712500000000 ] - [ -0.0000479700000000, -0.0000603300000000, -0.0001516800000000 ] - [ 0.0006780800000000, 0.0001647400000000, 0.0000182200000000 ] - [ -0.0001783400000000, -0.0002116400000000, 0.0001267400000000 ] - [ 0.0002131200000000, -0.0001222500000000, 0.0001182800000000 ] - [ 0.0003070600000000, -0.0001259400000000, 0.0001309300000000 ] - [ -0.0002122300000000, -0.0003087200000000, -0.0001415400000000 ] - [ 0.0006429400000000, 0.0002615800000000, 0.0003516300000000 ] - [ 0.0006620200000000, 0.0003367800000000, -0.0001483600000000 ] - [ -0.0006703700000000, -0.0038007600000000, -0.0024531900000000 ] - [ 0.0002118100000000, 0.0000417700000000, -0.0012544900000000 ] - [ -0.0002199100000000, -0.0001098500000000, -0.0001889700000000 ] - [ -0.0021294700000000, 0.0009637700000000, -0.0007790700000000 ] - [ 0.0001376100000000, 0.0000314000000000, -0.0003168800000000 ] - [ 0.0000857600000000, -0.0002033100000000, -0.0001879700000000 ] - [ -0.0001175700000000, -0.0002170900000000, 0.0000755900000000 ] - [ -0.0032437500000000, 0.0072377500000000, 0.0030947900000000 ] - [ -0.0025169200000000, -0.0103283200000000, -0.0038032200000000 ] - [ 0.0006177200000000, 0.0001776100000000, 0.0005868700000000 ] - [ -0.0000776000000000, -0.0000979800000000, 0.0001880100000000 ] - [ -0.0001461900000000, -0.0000784700000000, 0.0001803100000000 ] - [ 0.0024135000000000, 0.0005391400000000, -0.0001340100000000 ] - [ -0.0000757300000000, -0.0002382200000000, -0.0001966600000000 ] - [ -0.0006628300000000, 0.0062126600000000, 0.0016965800000000 ] - [ -0.0000371800000000, -0.0002497200000000, 0.0001153900000000 ] - [ 0.0000425500000000, -0.0001346000000000, -0.0001004500000000 ] - [ 0.0000518700000000, -0.0001541400000000, 0.0002444500000000 ] - [ -0.0009426800000000, 0.0000697000000000, 0.0002727500000000 ] - [ -0.0000727600000000, -0.0002229400000000, 0.0002807100000000 ] - [ -0.0000032800000000, -0.0001169100000000, -0.0000549800000000 ] - [ 0.0024911800000000, 0.0004467900000000, -0.0006757200000000 ] - [ 0.0001091500000000, -0.0002203800000000, -0.0002503200000000 ] - [ 0.0000740000000000, 0.0003314000000000, -0.0001565700000000 ] - [ -0.0001525200000000, -0.0000897500000000, 0.0002295900000000 ] - [ 0.0000736500000000, 0.0000486100000000, 0.0000613200000000 ] - [ -0.0000723600000000, 0.0001334600000000, -0.0000458900000000 ] - [ 0.0001894200000000, -0.0002407600000000, 0.0008421000000000 ] - [ 0.0000204400000000, -0.0009557700000000, 0.0002688300000000 ] - [ -0.0005606200000000, 0.0000451300000000, -0.0000768700000000 ] - [ -0.0000868500000000, -0.0001020300000000, -0.0000201400000000 ] - [ 0.0000512500000000, -0.0000870800000000, 0.0001204100000000 ] - [ -0.0004129000000000, 0.0003799300000000, 0.0001790800000000 ] - [ 0.0002488800000000, 0.0004273900000000, -0.0000459400000000 ] - [ -0.0000445600000000, -0.0002226500000000, 0.0000435000000000 ] - [ -0.0000360500000000, 0.0015259200000000, -0.0002699700000000 ] - [ -0.0002698400000000, 0.0001279400000000, 0.0000959900000000 ] - [ -0.0002925800000000, 0.0001074900000000, -0.0013462900000000 ] - [ 0.0000194600000000, 0.0000513900000000, 0.0001521400000000 ] - [ 0.0000346500000000, -0.0000556300000000, 0.0001230100000000 ] - [ 0.0000102500000000, -0.0002725200000000, -0.0000741300000000 ] - [ 0.0000433100000000, -0.0000954800000000, -0.0002197200000000 ] - [ -0.0000497800000000, -0.0002824000000000, 0.0000803100000000 ] - [ -0.0004990600000000, 0.0002668500000000, 0.0017850900000000 ] - [ 0.0000918100000000, -0.0002229500000000, 0.0001511200000000 ] - [ -0.0004838600000000, 0.0001325800000000, -0.0002931700000000 ] - [ 0.0000120600000000, 0.0000229600000000, -0.0003215800000000 ] - [ 0.0001430500000000, -0.0000231900000000, -0.0000582700000000 ] - [ -0.0001607200000000, 0.0003196800000000, -0.0000317000000000 ] - [ 0.0079315600000000, 0.0007682100000000, 0.0000343800000000 ] - [ 0.0000207900000000, -0.0000302700000000, 0.0001107400000000 ] - [ 0.0000460600000000, 0.0003688100000000, 0.0001461500000000 ] - [ 0.0000216500000000, -0.0002535800000000, -0.0000329500000000 ] - [ 0.0000109100000000, -0.0000918900000000, 0.0001136500000000 ] - [ -0.0004230400000000, -0.0002911500000000, -0.0000448400000000 ] - [ -0.0000392000000000, -0.0001065300000000, 0.0001509400000000 ] - [ 0.0031107500000000, 0.0001750900000000, -0.0000208100000000 ] - [ -0.0024974000000000, -0.0056281800000000, -0.0019724300000000 ] - [ -0.0000290400000000, -0.0000637200000000, -0.0000750200000000 ]- atom: 12 displacement: [ -0.0099999995909515, 0.0000000000000000, 0.0000028602394792 ] forces: - [ 0.0000903700000000, 0.0001237400000000, 0.0002434300000000 ] - [ -0.0003005100000000, -0.0002939500000000, -0.0000429700000000 ] - [ 0.0002133200000000, 0.0003531400000000, 0.0000429100000000 ] - [ 0.0000649200000000, 0.0000158500000000, -0.0002670100000000 ] - [ 0.0000122900000000, -0.0000925500000000, -0.0001881100000000 ] - [ -0.0009453300000000, 0.0003300800000000, -0.0000984200000000 ] - [ 0.0008490200000000, -0.0003664600000000, 0.0005377400000000 ] - [ 0.0002435600000000, -0.0003085900000000, 0.0000938300000000 ] - [ -0.0000399600000000, 0.0000983800000000, 0.0001251300000000 ] - [ -0.0016918200000000, 0.0003969100000000, 0.0023325000000000 ] - [ 0.0002311400000000, 0.0003480900000000, -0.0001226500000000 ] - [ 0.0117715600000000, -0.0043603900000000, -0.0018637100000000 ] - [ -0.0025505700000000, 0.0002549000000000, -0.0028909500000000 ] - [ 0.0001288000000000, -0.0001219700000000, 0.0000475500000000 ] - [ -0.0013073700000000, 0.0001757000000000, -0.0001055800000000 ] - [ -0.0000913100000000, 0.0000794500000000, -0.0000377700000000 ] - [ 0.0000528700000000, -0.0000863700000000, -0.0000708000000000 ] - [ -0.0000163800000000, -0.0001092700000000, -0.0000053100000000 ] - [ -0.0000779600000000, -0.0000437000000000, -0.0000308500000000 ] - [ -0.0009924200000000, 0.0000924400000000, 0.0024583600000000 ] - [ -0.0000327700000000, -0.0004916200000000, 0.0000747800000000 ] - [ -0.0000592500000000, -0.0000770400000000, 0.0000973700000000 ] - [ -0.0000007300000000, 0.0000058900000000, 0.0000203900000000 ] - [ -0.0002094000000000, 0.0004465100000000, -0.0001068100000000 ] - [ 0.0000034100000000, 0.0000168800000000, -0.0000010200000000 ] - [ -0.0000930400000000, -0.0001378800000000, -0.0001173900000000 ] - [ -0.0000175800000000, -0.0001854200000000, 0.0000154100000000 ] - [ 0.0000121800000000, -0.0001657000000000, 0.0002461100000000 ] - [ 0.0000790300000000, 0.0001106100000000, 0.0001634600000000 ] - [ 0.0000024500000000, -0.0002803100000000, -0.0000289800000000 ] - [ -0.0001283900000000, -0.0000295400000000, 0.0000716500000000 ] - [ 0.0000709900000000, -0.0000479200000000, 0.0001443800000000 ] - [ 0.0006002200000000, 0.0000409400000000, -0.0004160800000000 ] - [ 0.0000606200000000, -0.0001615000000000, 0.0000835800000000 ] - [ 0.0000152100000000, -0.0000927300000000, -0.0000012600000000 ] - [ -0.0020367900000000, 0.0001433400000000, -0.0037347800000000 ] - [ -0.0002441600000000, 0.0000140800000000, -0.0000799900000000 ] - [ -0.0001349900000000, 0.0001409700000000, -0.0000628400000000 ] - [ 0.0000530100000000, 0.0000939800000000, 0.0001050500000000 ] - [ 0.0001258200000000, -0.0000252400000000, -0.0000503700000000 ] - [ -0.0000025900000000, -0.0001650100000000, -0.0002193100000000 ] - [ -0.0000834400000000, 0.0001088900000000, 0.0000205000000000 ] - [ 0.0000099200000000, -0.0001871300000000, 0.0000041200000000 ] - [ 0.0000003300000000, -0.0002750400000000, 0.0000534700000000 ] - [ 0.0001365600000000, 0.0000488300000000, 0.0001160900000000 ] - [ -0.0000503100000000, -0.0000177800000000, -0.0000345000000000 ] - [ -0.0006440800000000, 0.0002104100000000, -0.0000282400000000 ] - [ 0.0000037400000000, 0.0000164400000000, -0.0002953800000000 ] - [ 0.0002326700000000, -0.0001130100000000, 0.0001543900000000 ] - [ 0.0002669700000000, -0.0000993200000000, 0.0002102100000000 ] - [ -0.0003622200000000, 0.0000855000000000, -0.0001997300000000 ] - [ -0.0007889100000000, -0.0000737700000000, 0.0001168400000000 ] - [ -0.0004717900000000, 0.0000735200000000, -0.0001164400000000 ] - [ 0.0011972500000000, 0.0040681200000000, 0.0028115500000000 ] - [ -0.0007876400000000, 0.0001847500000000, 0.0009186200000000 ] - [ -0.0002259900000000, -0.0001231500000000, -0.0000808800000000 ] - [ 0.0017073300000000, -0.0006854600000000, 0.0004767300000000 ] - [ 0.0000033500000000, -0.0002227900000000, -0.0001533800000000 ] - [ 0.0001028200000000, -0.0002135500000000, -0.0000791300000000 ] - [ -0.0000713200000000, -0.0002012900000000, 0.0001917700000000 ] - [ 0.0030411400000000, -0.0067466300000000, -0.0028027800000000 ] - [ 0.0029505800000000, 0.0106307100000000, 0.0040883600000000 ] - [ -0.0004763900000000, 0.0000171400000000, -0.0010512200000000 ] - [ -0.0000651100000000, -0.0000956500000000, 0.0002833700000000 ] - [ -0.0000542300000000, 0.0001281300000000, -0.0002460800000000 ] - [ -0.0025399600000000, -0.0003524900000000, -0.0000475100000000 ] - [ -0.0001253400000000, 0.0001853800000000, 0.0001289600000000 ] - [ 0.0005396300000000, -0.0059467200000000, -0.0018631400000000 ] - [ -0.0000052700000000, -0.0002748200000000, 0.0000640600000000 ] - [ 0.0000385900000000, -0.0000983800000000, -0.0001648900000000 ] - [ -0.0002864100000000, 0.0001846600000000, -0.0001021400000000 ] - [ 0.0008347400000000, 0.0001257000000000, 0.0001846400000000 ] - [ -0.0000820900000000, -0.0002190700000000, 0.0002409800000000 ] - [ 0.0000002900000000, -0.0000962600000000, -0.0001084400000000 ] - [ -0.0024042000000000, -0.0002290400000000, 0.0004296000000000 ] - [ 0.0000452600000000, -0.0002224300000000, -0.0002724200000000 ] - [ -0.0000313200000000, 0.0002044200000000, 0.0000609200000000 ] - [ 0.0000436300000000, -0.0001052100000000, 0.0002288000000000 ] - [ 0.0001273400000000, 0.0000003500000000, 0.0000051800000000 ] - [ 0.0000781800000000, 0.0000702400000000, 0.0002146700000000 ] - [ -0.0003608200000000, 0.0006889100000000, -0.0003240400000000 ] - [ 0.0000378700000000, 0.0010458800000000, -0.0000703000000000 ] - [ 0.0005014200000000, 0.0000601200000000, -0.0001220100000000 ] - [ -0.0000453600000000, -0.0001023200000000, -0.0001720200000000 ] - [ 0.0000805300000000, -0.0001169500000000, 0.0000704100000000 ] - [ 0.0005387900000000, -0.0001797900000000, -0.0006338700000000 ] - [ -0.0000221900000000, -0.0004069300000000, -0.0001003700000000 ] - [ -0.0000838500000000, -0.0002167000000000, -0.0001122700000000 ] - [ -0.0000433200000000, -0.0012980500000000, 0.0005376900000000 ] - [ 0.0002293200000000, 0.0003981400000000, 0.0000823800000000 ] - [ 0.0004188000000000, 0.0003296700000000, 0.0014064000000000 ] - [ -0.0002539300000000, -0.0000812900000000, -0.0000099800000000 ] - [ -0.0000354300000000, -0.0001103900000000, 0.0000667500000000 ] - [ 0.0000316400000000, -0.0002524200000000, -0.0001057100000000 ] - [ 0.0000644900000000, -0.0000998300000000, -0.0002383900000000 ] - [ 0.0000079800000000, -0.0002507100000000, 0.0000147900000000 ] - [ 0.0006334500000000, -0.0000643400000000, -0.0016021600000000 ] - [ 0.0000362100000000, -0.0002164900000000, -0.0000839800000000 ] - [ 0.0003565100000000, 0.0003085800000000, 0.0002261800000000 ] - [ -0.0000136200000000, -0.0001877100000000, 0.0001322500000000 ] - [ 0.0000887500000000, -0.0000052900000000, -0.0000841300000000 ] - [ 0.0001170800000000, 0.0002151000000000, 0.0001281300000000 ] - [ -0.0077703900000000, -0.0003481300000000, -0.0005633600000000 ] - [ 0.0000362800000000, -0.0000667000000000, 0.0000862800000000 ] - [ -0.0000471600000000, -0.0002070700000000, -0.0003373100000000 ] - [ 0.0000216700000000, -0.0002812400000000, -0.0000634500000000 ] - [ -0.0000090600000000, -0.0001209000000000, 0.0000475800000000 ] - [ 0.0006275400000000, 0.0002478200000000, 0.0001139200000000 ] - [ -0.0000423900000000, -0.0001254900000000, 0.0001140900000000 ] - [ -0.0031110000000000, -0.0000144600000000, 0.0002160900000000 ] - [ 0.0025271800000000, 0.0061108300000000, 0.0017844000000000 ] - [ -0.0000287900000000, -0.0000347900000000, -0.0001222200000000 ]- atom: 12 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000108100000000, 0.0001496100000000, 0.0003290600000000 ] - [ -0.0002546200000000, -0.0002873800000000, 0.0000876900000000 ] - [ 0.0000179000000000, 0.0002501100000000, -0.0002399800000000 ] - [ 0.0002509200000000, 0.0001230200000000, 0.0001049800000000 ] - [ 0.0001110600000000, -0.0001019500000000, -0.0005088300000000 ] - [ -0.0003290800000000, 0.0004320600000000, -0.0006592700000000 ] - [ 0.0002923600000000, 0.0012872700000000, -0.0027442300000000 ] - [ 0.0001535300000000, -0.0002734800000000, 0.0003745600000000 ] - [ -0.0000928600000000, 0.0007034900000000, -0.0001978700000000 ] - [ -0.0001345100000000, -0.0009163600000000, -0.0000811600000000 ] - [ 0.0000110700000000, 0.0015737500000000, -0.0001394500000000 ] - [ 0.0042403600000000, -0.0390275900000000, -0.0080257800000000 ] - [ -0.0005776100000000, -0.0012478900000000, -0.0001044000000000 ] - [ 0.0000862800000000, -0.0004258400000000, -0.0001833800000000 ] - [ 0.0001626300000000, -0.0007540900000000, -0.0001492700000000 ] - [ -0.0000858500000000, -0.0000147900000000, -0.0000156300000000 ] - [ 0.0000617900000000, -0.0000375000000000, -0.0000609400000000 ] - [ -0.0000094600000000, 0.0000783100000000, 0.0000241800000000 ] - [ -0.0001839200000000, 0.0006651600000000, 0.0002038100000000 ] - [ 0.0001852100000000, -0.0007839300000000, -0.0000043100000000 ] - [ 0.0007624000000000, 0.0014813900000000, 0.0003050300000000 ] - [ -0.0000736300000000, -0.0001620100000000, 0.0001006800000000 ] - [ 0.0000129400000000, -0.0000610500000000, 0.0000446500000000 ] - [ -0.0005479700000000, 0.0009403700000000, -0.0000322300000000 ] - [ -0.0000021600000000, 0.0000707900000000, 0.0000145700000000 ] - [ -0.0000501900000000, -0.0003138800000000, -0.0000270400000000 ] - [ -0.0000228500000000, -0.0002147600000000, 0.0000307700000000 ] - [ 0.0000159300000000, -0.0001950600000000, 0.0002445700000000 ] - [ 0.0000479700000000, 0.0004497900000000, 0.0002704900000000 ] - [ -0.0000034600000000, -0.0003316100000000, -0.0000127600000000 ] - [ -0.0001346000000000, 0.0000469900000000, 0.0000749700000000 ] - [ 0.0000499600000000, -0.0004533100000000, 0.0003190500000000 ] - [ 0.0000954300000000, 0.0000536100000000, 0.0013220400000000 ] - [ 0.0000566100000000, -0.0000422600000000, 0.0001544900000000 ] - [ 0.0000177600000000, -0.0002172200000000, 0.0000564100000000 ] - [ 0.0000407700000000, -0.0014639500000000, -0.0002031100000000 ] - [ 0.0000854200000000, 0.0006063100000000, 0.0000111300000000 ] - [ -0.0000748700000000, 0.0003957900000000, -0.0001603100000000 ] - [ 0.0001123500000000, 0.0006662100000000, 0.0001380800000000 ] - [ 0.0001289500000000, -0.0000737700000000, -0.0000373400000000 ] - [ -0.0000119700000000, -0.0001222400000000, -0.0002747700000000 ] - [ -0.0000296800000000, -0.0001433300000000, -0.0000744600000000 ] - [ 0.0000177300000000, -0.0001571100000000, -0.0000054400000000 ] - [ 0.0000060500000000, -0.0002037000000000, 0.0000524700000000 ] - [ 0.0000812600000000, 0.0003679100000000, -0.0001088500000000 ] - [ -0.0000451600000000, 0.0000719900000000, -0.0000222100000000 ] - [ -0.0000286700000000, -0.0001154300000000, 0.0003873100000000 ] - [ 0.0000516000000000, 0.0004653400000000, -0.0003435100000000 ] - [ 0.0002268200000000, -0.0001536900000000, 0.0001030500000000 ] - [ 0.0002885100000000, -0.0000631200000000, 0.0002212000000000 ] - [ -0.0001986300000000, -0.0002900200000000, -0.0002598800000000 ] - [ -0.0015111600000000, 0.0000366400000000, 0.0004705100000000 ] - [ 0.0017403000000000, -0.0001692100000000, -0.0004193900000000 ] - [ -0.0041641500000000, 0.0116158100000000, 0.0104657000000000 ] - [ -0.0005363700000000, 0.0002669000000000, 0.0015324200000000 ] - [ -0.0002179700000000, -0.0000434100000000, -0.0000110700000000 ] - [ 0.0015056500000000, 0.0070096900000000, -0.0098329800000000 ] - [ 0.0000440200000000, -0.0001965700000000, -0.0003725600000000 ] - [ 0.0001540400000000, -0.0001717200000000, -0.0000354300000000 ] - [ -0.0000948400000000, -0.0002429400000000, 0.0000961100000000 ] - [ 0.0063334900000000, 0.0051694400000000, 0.0025500900000000 ] - [ -0.0084329000000000, 0.0111697100000000, 0.0037807900000000 ] - [ 0.0003122600000000, 0.0001577800000000, 0.0012548900000000 ] - [ -0.0001112300000000, -0.0000933500000000, 0.0002844400000000 ] - [ -0.0001736000000000, 0.0003942500000000, 0.0000839000000000 ] - [ 0.0002315400000000, -0.0015720000000000, 0.0011261000000000 ] - [ 0.0000536900000000, -0.0007639400000000, -0.0002702800000000 ] - [ 0.0026051100000000, 0.0014325400000000, 0.0001630800000000 ] - [ 0.0000141400000000, -0.0002117300000000, -0.0000258700000000 ] - [ 0.0000438600000000, -0.0002030400000000, -0.0002100900000000 ] - [ -0.0004217800000000, 0.0007990200000000, -0.0002094400000000 ] - [ 0.0000632700000000, 0.0001453800000000, 0.0001587400000000 ] - [ -0.0001252900000000, -0.0002198800000000, 0.0001616600000000 ] - [ -0.0000124000000000, -0.0001477300000000, -0.0001333700000000 ] - [ 0.0002979800000000, 0.0024508100000000, 0.0022074900000000 ] - [ 0.0000804000000000, -0.0002292400000000, -0.0002977000000000 ] - [ 0.0002492300000000, 0.0010074600000000, -0.0003456300000000 ] - [ -0.0001096800000000, -0.0000796500000000, 0.0003895900000000 ] - [ 0.0000856300000000, -0.0001179900000000, 0.0000516600000000 ] - [ 0.0005803700000000, -0.0014498300000000, 0.0011528500000000 ] - [ -0.0025008600000000, -0.0002865400000000, 0.0005766800000000 ] - [ -0.0003650900000000, -0.0021401900000000, 0.0005923600000000 ] - [ -0.0001833100000000, 0.0012075600000000, 0.0000030300000000 ] - [ -0.0000286800000000, -0.0000998300000000, -0.0002387000000000 ] - [ 0.0000478400000000, -0.0001103400000000, 0.0001527800000000 ] - [ 0.0025598400000000, -0.0003795400000000, -0.0003984600000000 ] - [ -0.0005652300000000, -0.0017014600000000, -0.0008325400000000 ] - [ -0.0000959900000000, -0.0002128200000000, -0.0001564200000000 ] - [ 0.0003309000000000, -0.0021788100000000, 0.0007549300000000 ] - [ -0.0002550500000000, -0.0005330500000000, 0.0003400400000000 ] - [ -0.0006960600000000, 0.0003224800000000, -0.0023914500000000 ] - [ 0.0001166400000000, -0.0002803400000000, 0.0003223500000000 ] - [ -0.0000152700000000, -0.0002409100000000, 0.0001197800000000 ] - [ 0.0000257900000000, -0.0003101300000000, -0.0001331800000000 ] - [ 0.0000811300000000, -0.0000969700000000, -0.0001563600000000 ] - [ -0.0000219000000000, -0.0001244000000000, 0.0000744300000000 ] - [ 0.0009315900000000, -0.0000554000000000, -0.0025493000000000 ] - [ 0.0000877700000000, -0.0002284700000000, 0.0001106500000000 ] - [ -0.0001354600000000, 0.0001651800000000, 0.0001096500000000 ] - [ -0.0000153700000000, 0.0003219200000000, -0.0000461700000000 ] - [ 0.0001171300000000, 0.0000842800000000, 0.0000046000000000 ] - [ 0.0001590800000000, -0.0006228300000000, -0.0001659600000000 ] - [ -0.0004971000000000, 0.0057665900000000, 0.0002975400000000 ] - [ 0.0000316100000000, 0.0000353900000000, 0.0000751400000000 ] - [ -0.0001759600000000, -0.0007292500000000, -0.0003431400000000 ] - [ -0.0002039000000000, -0.0005452400000000, 0.0002284900000000 ] - [ -0.0000320500000000, -0.0001074900000000, -0.0001398000000000 ] - [ 0.0001932800000000, 0.0008573000000000, -0.0000631100000000 ] - [ -0.0000451600000000, -0.0000297100000000, 0.0001157200000000 ] - [ 0.0001459900000000, 0.0033007400000000, -0.0002523700000000 ] - [ -0.0022460300000000, 0.0011076300000000, 0.0000844700000000 ] - [ -0.0000243400000000, -0.0001294800000000, -0.0001606800000000 ]- atom: 12 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000105400000000, 0.0001017500000000, 0.0001084400000000 ] - [ -0.0002674100000000, -0.0003057300000000, -0.0002221400000000 ] - [ 0.0005031400000000, 0.0003426400000000, 0.0003725100000000 ] - [ -0.0002716000000000, 0.0001283700000000, -0.0005417400000000 ] - [ -0.0001322100000000, -0.0001503900000000, 0.0000715500000000 ] - [ -0.0001924400000000, 0.0001601900000000, 0.0005277500000000 ] - [ -0.0002681200000000, -0.0015336600000000, 0.0031593700000000 ] - [ 0.0003678900000000, -0.0003200000000000, -0.0002423200000000 ] - [ 0.0001306800000000, -0.0004810100000000, 0.0002114500000000 ] - [ 0.0002438700000000, 0.0011972000000000, 0.0002813500000000 ] - [ -0.0000122300000000, -0.0010121900000000, 0.0000685700000000 ] - [ -0.0042859900000000, 0.0388092600000000, 0.0078910700000000 ] - [ 0.0003080700000000, 0.0013005300000000, 0.0002117500000000 ] - [ 0.0000900600000000, 0.0002322300000000, 0.0003523800000000 ] - [ -0.0000379400000000, 0.0009197700000000, -0.0000157900000000 ] - [ -0.0000899700000000, 0.0002066900000000, -0.0001534200000000 ] - [ 0.0000596800000000, -0.0001283700000000, -0.0001026900000000 ] - [ -0.0000281600000000, -0.0002998900000000, -0.0000368200000000 ] - [ 0.0000586500000000, -0.0005024200000000, -0.0000413000000000 ] - [ -0.0001752000000000, 0.0013469700000000, 0.0000682200000000 ] - [ -0.0007439000000000, -0.0011573000000000, 0.0001636300000000 ] - [ -0.0000500000000000, -0.0000034400000000, 0.0000630800000000 ] - [ -0.0000113600000000, 0.0000951700000000, -0.0000183900000000 ] - [ 0.0005133800000000, -0.0005685900000000, 0.0000420100000000 ] - [ 0.0000000100000000, -0.0000354500000000, -0.0000400000000000 ] - [ -0.0000676400000000, 0.0000331000000000, -0.0001669700000000 ] - [ -0.0000107900000000, -0.0001599100000000, -0.0000205800000000 ] - [ 0.0000062200000000, -0.0001395800000000, 0.0002249500000000 ] - [ 0.0001281300000000, -0.0002531200000000, -0.0001025600000000 ] - [ 0.0000010000000000, -0.0002311700000000, -0.0000609800000000 ] - [ -0.0001230300000000, -0.0000984000000000, 0.0000422700000000 ] - [ 0.0000469900000000, 0.0003684700000000, -0.0001254300000000 ] - [ -0.0001176400000000, 0.0002775100000000, -0.0017869300000000 ] - [ 0.0000629200000000, -0.0002414500000000, 0.0000418600000000 ] - [ 0.0000200700000000, -0.0000032200000000, -0.0000418600000000 ] - [ -0.0001247200000000, 0.0015463000000000, 0.0000254800000000 ] - [ 0.0001721300000000, -0.0005560000000000, -0.0001294100000000 ] - [ -0.0000429700000000, -0.0001142600000000, -0.0000395000000000 ] - [ -0.0001103900000000, -0.0007028500000000, -0.0001130000000000 ] - [ 0.0001290400000000, 0.0000205600000000, -0.0000811900000000 ] - [ -0.0000104900000000, -0.0002125900000000, -0.0001951900000000 ] - [ -0.0000084500000000, 0.0003628700000000, 0.0000597900000000 ] - [ 0.0000163000000000, -0.0002186900000000, -0.0000047000000000 ] - [ -0.0000027800000000, -0.0003594800000000, 0.0000211800000000 ] - [ 0.0000159700000000, -0.0002919400000000, 0.0002941200000000 ] - [ -0.0000515600000000, -0.0001479300000000, -0.0001607800000000 ] - [ 0.0000626600000000, 0.0004903700000000, -0.0003980300000000 ] - [ -0.0002288300000000, -0.0006602900000000, 0.0001751300000000 ] - [ 0.0002213900000000, -0.0000828000000000, 0.0001697000000000 ] - [ 0.0002883700000000, -0.0001619600000000, 0.0001250300000000 ] - [ -0.0003771900000000, 0.0000655900000000, -0.0000867300000000 ] - [ 0.0013679900000000, 0.0001588400000000, 0.0000053700000000 ] - [ -0.0015543900000000, 0.0005882000000000, 0.0001517600000000 ] - [ 0.0048051200000000, -0.0115599900000000, -0.0102901600000000 ] - [ -0.0000428400000000, -0.0000431600000000, -0.0018778800000000 ] - [ -0.0002297800000000, -0.0001899500000000, -0.0002604000000000 ] - [ -0.0019577300000000, -0.0068672600000000, 0.0096785800000000 ] - [ 0.0001012600000000, 0.0000025400000000, -0.0001026900000000 ] - [ 0.0000362300000000, -0.0002458000000000, -0.0002332900000000 ] - [ -0.0000947500000000, -0.0001762000000000, 0.0001712800000000 ] - [ -0.0064790500000000, -0.0046878200000000, -0.0022513200000000 ] - [ 0.0087513900000000, -0.0107680800000000, -0.0034493300000000 ] - [ -0.0001646700000000, 0.0000367900000000, -0.0017291900000000 ] - [ -0.0000343400000000, -0.0001026200000000, 0.0001922400000000 ] - [ -0.0000316900000000, -0.0003432000000000, -0.0001549000000000 ] - [ -0.0003389000000000, 0.0015310300000000, -0.0013099900000000 ] - [ -0.0002574300000000, 0.0007117500000000, 0.0001995500000000 ] - [ -0.0026085700000000, -0.0011739200000000, -0.0003228300000000 ] - [ -0.0000573300000000, -0.0003114000000000, 0.0002037800000000 ] - [ 0.0000379900000000, -0.0000256900000000, -0.0000585900000000 ] - [ 0.0001906300000000, -0.0007681700000000, 0.0003504200000000 ] - [ -0.0001712300000000, 0.0000511200000000, 0.0002979500000000 ] - [ -0.0000295800000000, -0.0002247500000000, 0.0003589600000000 ] - [ 0.0000092200000000, -0.0000624000000000, -0.0000293600000000 ] - [ -0.0002147800000000, -0.0022569100000000, -0.0024763600000000 ] - [ 0.0000747100000000, -0.0002159000000000, -0.0002233700000000 ] - [ -0.0002083700000000, -0.0004737500000000, 0.0002500700000000 ] - [ 0.0000009700000000, -0.0001166500000000, 0.0000680300000000 ] - [ 0.0001178100000000, 0.0001687400000000, 0.0000199200000000 ] - [ -0.0005797800000000, 0.0016635300000000, -0.0009899400000000 ] - [ 0.0023493700000000, 0.0007329600000000, -0.0000595500000000 ] - [ 0.0004288600000000, 0.0022332000000000, -0.0003947700000000 ] - [ 0.0001261500000000, -0.0011175600000000, -0.0002059300000000 ] - [ -0.0001025700000000, -0.0001073400000000, 0.0000438300000000 ] - [ 0.0000830600000000, -0.0000962300000000, 0.0000431100000000 ] - [ -0.0024487400000000, 0.0005777900000000, -0.0000570400000000 ] - [ 0.0007942400000000, 0.0017287300000000, 0.0006899300000000 ] - [ -0.0000330700000000, -0.0002287800000000, 0.0000863300000000 ] - [ -0.0004161400000000, 0.0024067900000000, -0.0004888100000000 ] - [ 0.0002135100000000, 0.0010572900000000, -0.0001627200000000 ] - [ 0.0008233100000000, 0.0001168100000000, 0.0024591400000000 ] - [ -0.0003458500000000, 0.0002481800000000, -0.0001810800000000 ] - [ 0.0000121100000000, 0.0000739800000000, 0.0000734000000000 ] - [ 0.0000171000000000, -0.0002139400000000, -0.0000445500000000 ] - [ 0.0000267500000000, -0.0000999400000000, -0.0003002200000000 ] - [ -0.0000184500000000, -0.0004084400000000, 0.0000220300000000 ] - [ -0.0007988200000000, 0.0002583500000000, 0.0027437100000000 ] - [ 0.0000423400000000, -0.0002128500000000, -0.0000397100000000 ] - [ 0.0000070700000000, 0.0002755200000000, -0.0001789400000000 ] - [ 0.0000193400000000, -0.0004872000000000, -0.0001483500000000 ] - [ 0.0001139700000000, -0.0001153300000000, -0.0001445000000000 ] - [ -0.0001995500000000, 0.0011543500000000, 0.0002614200000000 ] - [ 0.0006962600000000, -0.0047964600000000, -0.0007011100000000 ] - [ 0.0000266100000000, -0.0001274700000000, 0.0001272200000000 ] - [ 0.0001791900000000, 0.0008939700000000, 0.0001502000000000 ] - [ 0.0002429600000000, 0.0000108700000000, -0.0003241200000000 ] - [ 0.0000344200000000, -0.0001028900000000, 0.0003011600000000 ] - [ 0.0000102400000000, -0.0009112000000000, 0.0001342500000000 ] - [ -0.0000361900000000, -0.0001968700000000, 0.0001540300000000 ] - [ -0.0001445200000000, -0.0031861200000000, 0.0004144700000000 ] - [ 0.0022783700000000, -0.0005664100000000, -0.0002638800000000 ] - [ -0.0000335700000000, 0.0000358600000000, -0.0000414400000000 ]- atom: 12 displacement: [ -0.0000185648863736, 0.0000000000000000, 0.0099999827672348 ] forces: - [ -0.0000007400000000, 0.0001636900000000, 0.0004965100000000 ] - [ -0.0002465900000000, -0.0002562200000000, 0.0001964400000000 ] - [ 0.0005930400000000, 0.0002416600000000, 0.0004445600000000 ] - [ 0.0002935600000000, 0.0002378500000000, 0.0001123100000000 ] - [ -0.0001301300000000, -0.0001652100000000, 0.0000894300000000 ] - [ -0.0002642800000000, 0.0001931400000000, -0.0003319400000000 ] - [ -0.0003005400000000, -0.0026243600000000, 0.0024936500000000 ] - [ 0.0001752500000000, -0.0002613300000000, 0.0002610100000000 ] - [ -0.0001716200000000, 0.0002191500000000, -0.0002050000000000 ] - [ -0.0020140700000000, 0.0001889600000000, 0.0010838800000000 ] - [ 0.0000507300000000, 0.0003459200000000, -0.0004986800000000 ] - [ 0.0018051000000000, -0.0078102600000000, -0.0238511200000000 ] - [ 0.0025916200000000, -0.0000130100000000, 0.0013648700000000 ] - [ 0.0000802900000000, -0.0000165600000000, 0.0005965100000000 ] - [ 0.0000811700000000, 0.0000412100000000, -0.0004647300000000 ] - [ -0.0001054700000000, 0.0000862700000000, 0.0001272500000000 ] - [ 0.0000692000000000, -0.0001046400000000, 0.0000350200000000 ] - [ -0.0000105600000000, -0.0001373000000000, -0.0000109800000000 ] - [ 0.0000627200000000, -0.0000322500000000, 0.0000111600000000 ] - [ -0.0022077600000000, 0.0002874700000000, 0.0020865500000000 ] - [ 0.0001245700000000, 0.0004784500000000, -0.0003222200000000 ] - [ -0.0000621100000000, -0.0000531600000000, 0.0002116400000000 ] - [ -0.0000041100000000, 0.0000511700000000, 0.0001495700000000 ] - [ 0.0000588600000000, 0.0000954000000000, -0.0004144800000000 ] - [ -0.0000146900000000, -0.0000060100000000, 0.0001065700000000 ] - [ -0.0000386700000000, -0.0001097600000000, -0.0000398600000000 ] - [ -0.0000146600000000, -0.0001730500000000, 0.0001127700000000 ] - [ 0.0000046400000000, -0.0001453000000000, 0.0003597200000000 ] - [ 0.0000437600000000, 0.0000212200000000, 0.0003326300000000 ] - [ -0.0000064900000000, -0.0002516300000000, 0.0000767700000000 ] - [ -0.0001212300000000, -0.0000459000000000, 0.0001689000000000 ] - [ 0.0000012700000000, 0.0000130300000000, 0.0006657500000000 ] - [ 0.0001942700000000, 0.0019675500000000, 0.0020800400000000 ] - [ 0.0000714900000000, -0.0001448200000000, 0.0002703900000000 ] - [ 0.0000312300000000, -0.0001153100000000, 0.0002096000000000 ] - [ 0.0032908000000000, -0.0001074000000000, 0.0023884500000000 ] - [ 0.0000804300000000, 0.0000367200000000, -0.0002699000000000 ] - [ -0.0000491800000000, 0.0001521800000000, 0.0000260300000000 ] - [ -0.0000883000000000, -0.0001457600000000, 0.0000104500000000 ] - [ 0.0001387200000000, -0.0000092500000000, 0.0000591500000000 ] - [ -0.0000209300000000, -0.0002030500000000, -0.0000922700000000 ] - [ -0.0000093300000000, 0.0001039600000000, 0.0001325400000000 ] - [ 0.0000246600000000, -0.0002020300000000, 0.0001016200000000 ] - [ -0.0000036300000000, -0.0003128900000000, 0.0001501400000000 ] - [ 0.0000126900000000, -0.0000186300000000, 0.0003390300000000 ] - [ -0.0000603700000000, -0.0000498200000000, 0.0001006800000000 ] - [ 0.0000087200000000, 0.0002595100000000, -0.0001822500000000 ] - [ 0.0001569100000000, -0.0000320100000000, -0.0003682100000000 ] - [ 0.0001446100000000, -0.0000801700000000, 0.0006502000000000 ] - [ 0.0002565800000000, -0.0001196300000000, 0.0007210600000000 ] - [ -0.0002691100000000, -0.0002700300000000, 0.0002824800000000 ] - [ -0.0014661200000000, 0.0003349100000000, -0.0010701100000000 ] - [ -0.0013556400000000, -0.0000304400000000, -0.0015192200000000 ] - [ -0.0029088700000000, 0.0122201100000000, -0.0018448000000000 ] - [ -0.0003179300000000, 0.0001725800000000, -0.0001061500000000 ] - [ -0.0002785200000000, -0.0001248000000000, 0.0004033300000000 ] - [ -0.0012079200000000, -0.0112672300000000, -0.0018349100000000 ] - [ 0.0000759000000000, -0.0001988500000000, 0.0001839200000000 ] - [ 0.0001499300000000, -0.0002793800000000, 0.0003568000000000 ] - [ -0.0000670000000000, -0.0001478000000000, 0.0006320800000000 ] - [ 0.0018879100000000, 0.0016617700000000, -0.0006824600000000 ] - [ -0.0027416900000000, 0.0028139100000000, -0.0015789800000000 ] - [ 0.0000574100000000, 0.0001579200000000, -0.0002560500000000 ] - [ -0.0000038100000000, -0.0000667200000000, 0.0007668200000000 ] - [ 0.0002708400000000, 0.0003115800000000, -0.0004699500000000 ] - [ -0.0021415300000000, 0.0000595200000000, 0.0093755100000000 ] - [ -0.0001067900000000, -0.0000236900000000, -0.0002465500000000 ] - [ -0.0002925900000000, 0.0009724400000000, 0.0032348200000000 ] - [ 0.0000551500000000, -0.0004204100000000, -0.0001576200000000 ] - [ 0.0000304500000000, 0.0000614400000000, -0.0003428500000000 ] - [ 0.0000875800000000, -0.0002005700000000, -0.0002540000000000 ] - [ 0.0000015000000000, 0.0001046000000000, 0.0001302600000000 ] - [ -0.0001040200000000, -0.0002208000000000, 0.0001357800000000 ] - [ -0.0000969200000000, 0.0000545500000000, -0.0003713100000000 ] - [ 0.0005183800000000, 0.0065887800000000, -0.0026896100000000 ] - [ 0.0000822000000000, -0.0002226300000000, -0.0003673500000000 ] - [ -0.0001344900000000, 0.0001039800000000, -0.0003164900000000 ] - [ -0.0000656800000000, -0.0000835600000000, 0.0002785400000000 ] - [ 0.0001661200000000, -0.0001114100000000, -0.0002527400000000 ] - [ -0.0004214900000000, 0.0011471400000000, 0.0001058600000000 ] - [ 0.0019870800000000, 0.0007331000000000, 0.0001560900000000 ] - [ -0.0001110700000000, -0.0003876600000000, 0.0004505200000000 ] - [ -0.0000400800000000, 0.0002052300000000, 0.0000199200000000 ] - [ 0.0001462300000000, -0.0000968200000000, -0.0009567500000000 ] - [ 0.0002849600000000, -0.0001110600000000, -0.0007801300000000 ] - [ 0.0023125300000000, -0.0003707400000000, -0.0002270900000000 ] - [ -0.0003755400000000, -0.0009515800000000, 0.0000573100000000 ] - [ -0.0002649100000000, -0.0001920500000000, -0.0008345200000000 ] - [ 0.0000337400000000, -0.0002189200000000, 0.0004588300000000 ] - [ 0.0000119900000000, 0.0002830900000000, 0.0001565900000000 ] - [ -0.0001673200000000, -0.0001474000000000, 0.0004525800000000 ] - [ -0.0004427400000000, 0.0000145900000000, -0.0002353500000000 ] - [ -0.0000366400000000, -0.0002292700000000, -0.0001721400000000 ] - [ 0.0001213500000000, -0.0001043800000000, -0.0003687700000000 ] - [ 0.0000636000000000, -0.0001048300000000, -0.0003929300000000 ] - [ 0.0000396900000000, -0.0001263000000000, -0.0002573700000000 ] - [ 0.0003614000000000, -0.0004383600000000, 0.0005974000000000 ] - [ -0.0001477400000000, -0.0002557600000000, -0.0008007700000000 ] - [ 0.0005923900000000, 0.0003283700000000, 0.0024838700000000 ] - [ -0.0003149200000000, 0.0002301600000000, -0.0005973300000000 ] - [ 0.0000457300000000, 0.0001580600000000, -0.0004641200000000 ] - [ -0.0000115400000000, 0.0001432300000000, 0.0001897600000000 ] - [ 0.0004147900000000, 0.0006890300000000, 0.0022940800000000 ] - [ 0.0000718900000000, -0.0002375200000000, -0.0001138200000000 ] - [ -0.0000031200000000, 0.0000547000000000, -0.0003070000000000 ] - [ 0.0004187300000000, -0.0001898400000000, -0.0002779200000000 ] - [ -0.0000662600000000, -0.0003134600000000, -0.0002736500000000 ] - [ -0.0000485600000000, -0.0002174100000000, 0.0002510800000000 ] - [ -0.0000764200000000, -0.0002973900000000, -0.0000808300000000 ] - [ 0.0012824200000000, -0.0031837000000000, 0.0046761000000000 ] - [ 0.0000129200000000, 0.0006553600000000, 0.0019013100000000 ] - [ 0.0000007100000000, 0.0001448900000000, -0.0003012100000000 ]- atom: 12 displacement: [ 0.0000185648863736, 0.0000000000000000, -0.0099999827672348 ] forces: - [ 0.0000218300000000, 0.0000908800000000, -0.0000794000000000 ] - [ -0.0002640100000000, -0.0003282300000000, -0.0003275800000000 ] - [ -0.0000692000000000, 0.0003353200000000, -0.0003596700000000 ] - [ -0.0002967900000000, 0.0000309100000000, -0.0005777200000000 ] - [ 0.0001114900000000, -0.0000858200000000, -0.0005111000000000 ] - [ -0.0002253600000000, 0.0003764800000000, 0.0002461000000000 ] - [ 0.0002387900000000, 0.0023864900000000, -0.0020070100000000 ] - [ 0.0002351200000000, -0.0004619400000000, 0.0000457200000000 ] - [ 0.0002164900000000, 0.0000174100000000, 0.0002891900000000 ] - [ 0.0021521500000000, 0.0000963200000000, -0.0008773800000000 ] - [ -0.0000463500000000, 0.0002131500000000, 0.0004434200000000 ] - [ -0.0018883400000000, 0.0081174700000000, 0.0242406000000000 ] - [ -0.0028270700000000, 0.0000779200000000, -0.0012771900000000 ] - [ 0.0000619300000000, -0.0001480900000000, -0.0004187900000000 ] - [ 0.0000422700000000, 0.0001282400000000, 0.0003406600000000 ] - [ -0.0000560200000000, 0.0000823800000000, -0.0003118100000000 ] - [ 0.0000516900000000, -0.0000866300000000, -0.0002755400000000 ] - [ -0.0000448300000000, -0.0001040200000000, -0.0000418500000000 ] - [ -0.0001791600000000, 0.0001815800000000, 0.0001338100000000 ] - [ 0.0021901900000000, 0.0002794000000000, -0.0019947900000000 ] - [ -0.0001139300000000, -0.0001180700000000, 0.0008394500000000 ] - [ -0.0000397100000000, -0.0001086100000000, -0.0000591400000000 ] - [ -0.0000175900000000, 0.0000541300000000, -0.0001323700000000 ] - [ -0.0000843700000000, 0.0002754700000000, 0.0004674800000000 ] - [ 0.0000103300000000, 0.0000292700000000, -0.0001912000000000 ] - [ -0.0000730800000000, -0.0001701800000000, -0.0001555700000000 ] - [ -0.0000354100000000, -0.0002204500000000, -0.0001333000000000 ] - [ 0.0000245800000000, -0.0001817900000000, 0.0000530500000000 ] - [ 0.0000807700000000, 0.0002066700000000, -0.0001682500000000 ] - [ 0.0000024400000000, -0.0003034800000000, -0.0001903900000000 ] - [ -0.0001446000000000, -0.0000124300000000, -0.0000465000000000 ] - [ 0.0000869800000000, -0.0000989500000000, -0.0004619700000000 ] - [ -0.0002098600000000, -0.0016021600000000, -0.0025194500000000 ] - [ 0.0000491600000000, -0.0001420300000000, -0.0000795500000000 ] - [ 0.0000034000000000, -0.0001026200000000, -0.0001909600000000 ] - [ -0.0034050600000000, 0.0002283600000000, -0.0025845500000000 ] - [ 0.0001798100000000, 0.0000258100000000, 0.0001514300000000 ] - [ -0.0000512400000000, 0.0001213500000000, -0.0002213800000000 ] - [ 0.0000960100000000, 0.0001027000000000, 0.0000080000000000 ] - [ 0.0001273700000000, 0.0000138200000000, -0.0002462900000000 ] - [ -0.0000131500000000, -0.0001744400000000, -0.0003937100000000 ] - [ 0.0000045400000000, 0.0001361700000000, -0.0001468300000000 ] - [ 0.0000189600000000, -0.0002297900000000, -0.0001339800000000 ] - [ 0.0000168500000000, -0.0003281200000000, -0.0000607100000000 ] - [ 0.0000709800000000, 0.0000762700000000, -0.0001561800000000 ] - [ -0.0000295700000000, -0.0000106100000000, -0.0002915100000000 ] - [ 0.0000300500000000, 0.0001224700000000, 0.0001638900000000 ] - [ -0.0002861200000000, -0.0002359700000000, 0.0001975100000000 ] - [ 0.0002716600000000, -0.0001694800000000, -0.0004508600000000 ] - [ 0.0002683000000000, -0.0000923500000000, -0.0004137100000000 ] - [ -0.0003449100000000, 0.0001005700000000, -0.0006840400000000 ] - [ 0.0014455700000000, -0.0001034200000000, 0.0022455700000000 ] - [ 0.0014851500000000, 0.0004411100000000, 0.0010490000000000 ] - [ 0.0033768600000000, -0.0120844100000000, 0.0025163500000000 ] - [ -0.0002385900000000, 0.0000436100000000, -0.0002025600000000 ] - [ -0.0008184400000000, -0.0002255200000000, -0.0013991500000000 ] - [ 0.0007658300000000, 0.0114094000000000, 0.0014289200000000 ] - [ 0.0003298400000000, -0.0001719400000000, -0.0009951100000000 ] - [ 0.0008147300000000, -0.0001970300000000, -0.0014164600000000 ] - [ -0.0001384800000000, -0.0002396500000000, -0.0003388700000000 ] - [ -0.0020775400000000, -0.0012679300000000, 0.0009824100000000 ] - [ 0.0031974400000000, -0.0026032700000000, 0.0018252400000000 ] - [ 0.0000885000000000, 0.0000455400000000, -0.0002230000000000 ] - [ -0.0000798300000000, -0.0001352100000000, -0.0002928800000000 ] - [ -0.0006153600000000, -0.0010350900000000, 0.0004832500000000 ] - [ 0.0019492400000000, 0.0001903400000000, -0.0093884300000000 ] - [ -0.0000961000000000, -0.0000532900000000, 0.0001452200000000 ] - [ 0.0002881500000000, -0.0007419700000000, -0.0033939600000000 ] - [ -0.0011587600000000, 0.0004776100000000, 0.0013117200000000 ] - [ 0.0007210100000000, -0.0007603200000000, 0.0006226000000000 ] - [ -0.0003291100000000, 0.0002746900000000, 0.0003611800000000 ] - [ -0.0001034200000000, 0.0001032600000000, 0.0003272400000000 ] - [ -0.0000650300000000, -0.0002153900000000, 0.0005001700000000 ] - [ 0.0000936900000000, -0.0002929100000000, 0.0002199900000000 ] - [ -0.0003920600000000, -0.0063714000000000, 0.0024550500000000 ] - [ 0.0001003300000000, -0.0002262500000000, -0.0001525600000000 ] - [ 0.0001852400000000, 0.0004271700000000, 0.0001989900000000 ] - [ 0.0001372200000000, -0.0001095000000000, 0.0001479100000000 ] - [ 0.0000396000000000, 0.0001890400000000, 0.0003420800000000 ] - [ 0.0005026800000000, -0.0009310400000000, 0.0000812800000000 ] - [ -0.0020891300000000, -0.0002775700000000, 0.0003414200000000 ] - [ 0.0001776500000000, 0.0004637200000000, -0.0002597000000000 ] - [ -0.0000545300000000, -0.0001066500000000, -0.0002356900000000 ] - [ -0.0001667500000000, -0.0001265400000000, 0.0006396800000000 ] - [ -0.0001686300000000, -0.0001118500000000, 0.0010411700000000 ] - [ -0.0022271500000000, 0.0005428300000000, -0.0007301100000000 ] - [ 0.0006500700000000, 0.0008152200000000, -0.0004770500000000 ] - [ 0.0000561800000000, -0.0002487800000000, 0.0006121300000000 ] - [ -0.0001121200000000, 0.0003872800000000, -0.0001601800000000 ] - [ -0.0001308300000000, 0.0002284200000000, 0.0000667100000000 ] - [ 0.0002955500000000, 0.0006037800000000, -0.0004140900000000 ] - [ 0.0002248300000000, -0.0000517100000000, 0.0003474700000000 ] - [ 0.0000296400000000, 0.0000650000000000, 0.0003803500000000 ] - [ -0.0000545800000000, -0.0003990900000000, 0.0002064100000000 ] - [ 0.0000459800000000, -0.0000926400000000, -0.0000953100000000 ] - [ -0.0000885600000000, -0.0004044700000000, 0.0003505300000000 ] - [ -0.0002088000000000, 0.0006517400000000, -0.0004670500000000 ] - [ 0.0002586600000000, -0.0001731300000000, 0.0007411800000000 ] - [ -0.0006593700000000, 0.0001405300000000, -0.0023675300000000 ] - [ 0.0003475500000000, -0.0004472000000000, 0.0003865300000000 ] - [ 0.0002034400000000, -0.0002009400000000, 0.0003326500000000 ] - [ -0.0001988200000000, 0.0001320600000000, -0.0006592300000000 ] - [ -0.0002683700000000, -0.0002189200000000, -0.0028318100000000 ] - [ 0.0000169800000000, 0.0001139700000000, 0.0003591200000000 ] - [ 0.0000113500000000, 0.0000792100000000, 0.0000849900000000 ] - [ -0.0005638700000000, 0.0007039500000000, 0.0003325300000000 ] - [ 0.0011376300000000, 0.0006770400000000, 0.0013506600000000 ] - [ 0.0001712600000000, 0.0004134500000000, -0.0006717700000000 ] - [ -0.0000164700000000, 0.0001472700000000, 0.0003688700000000 ] - [ -0.0012158800000000, 0.0033346900000000, -0.0051474300000000 ] - [ 0.0000358100000000, -0.0001207700000000, -0.0020965500000000 ] - [ -0.0007655200000000, -0.0007468400000000, 0.0007818300000000 ]- atom: 13 displacement: [ 0.0099999995909515, 0.0000000000000000, -0.0000028602394792 ] forces: - [ 0.0000107500000000, 0.0000755000000000, 0.0001825600000000 ] - [ -0.0002585800000000, -0.0002988500000000, -0.0000309700000000 ] - [ -0.0015697800000000, 0.0001230900000000, 0.0002974900000000 ] - [ 0.0001453200000000, 0.0001202000000000, -0.0002005700000000 ] - [ 0.0002949600000000, -0.0001216700000000, -0.0002422800000000 ] - [ -0.0001756900000000, 0.0003910800000000, -0.0001617900000000 ] - [ -0.0000271200000000, -0.0001351800000000, 0.0002710200000000 ] - [ 0.0001810400000000, -0.0002972600000000, 0.0000789300000000 ] - [ -0.0001048900000000, 0.0001382000000000, 0.0000202000000000 ] - [ -0.0001501500000000, 0.0000896000000000, 0.0000442900000000 ] - [ -0.0000419500000000, 0.0004822700000000, 0.0000480600000000 ] - [ 0.0024231000000000, -0.0004547600000000, 0.0026801100000000 ] - [ -0.0398103400000000, 0.0000178200000000, -0.0000371500000000 ] - [ 0.0005393300000000, -0.0000884000000000, -0.0010689400000000 ] - [ 0.0019630200000000, 0.0002730800000000, -0.0025328400000000 ] - [ -0.0000491000000000, 0.0000969600000000, -0.0000830400000000 ] - [ 0.0000548500000000, -0.0000910500000000, -0.0000743300000000 ] - [ -0.0000233800000000, -0.0001477200000000, -0.0000516100000000 ] - [ -0.0004316000000000, 0.0001271600000000, 0.0000440400000000 ] - [ 0.0010776500000000, 0.0002756300000000, 0.0000321800000000 ] - [ 0.0004456300000000, 0.0001454500000000, 0.0002256900000000 ] - [ -0.0000599300000000, -0.0000828300000000, 0.0000930100000000 ] - [ -0.0000011000000000, 0.0000120600000000, 0.0000248900000000 ] - [ -0.0008611200000000, 0.0000760600000000, -0.0000740700000000 ] - [ 0.0000032600000000, 0.0000179600000000, -0.0000081300000000 ] - [ -0.0000609100000000, -0.0001136400000000, -0.0001312400000000 ] - [ -0.0000270400000000, -0.0001802200000000, 0.0000105100000000 ] - [ 0.0000269900000000, -0.0001576300000000, 0.0002386900000000 ] - [ 0.0000757000000000, 0.0001401800000000, 0.0001709000000000 ] - [ -0.0000038400000000, -0.0002877800000000, -0.0000388400000000 ] - [ -0.0001351200000000, -0.0000371800000000, 0.0000807300000000 ] - [ 0.0000412200000000, -0.0000789400000000, 0.0001792600000000 ] - [ 0.0033370200000000, -0.0034078200000000, -0.0020695300000000 ] - [ 0.0000470200000000, -0.0001350100000000, 0.0001269400000000 ] - [ -0.0000061000000000, -0.0000998600000000, 0.0000056300000000 ] - [ 0.0001280500000000, 0.0000367300000000, -0.0000942200000000 ] - [ 0.0001321900000000, -0.0002192600000000, -0.0002189000000000 ] - [ -0.0000307300000000, 0.0000811000000000, 0.0000804000000000 ] - [ 0.0003684300000000, 0.0000318500000000, -0.0000317900000000 ] - [ 0.0001284300000000, -0.0000329900000000, -0.0000648200000000 ] - [ -0.0000126800000000, -0.0001545600000000, -0.0002227500000000 ] - [ 0.0007625400000000, 0.0002201300000000, 0.0014955000000000 ] - [ 0.0000175100000000, -0.0001838900000000, 0.0000019600000000 ] - [ 0.0000076700000000, -0.0002829700000000, 0.0000465700000000 ] - [ 0.0000339000000000, 0.0001730700000000, -0.0001077700000000 ] - [ -0.0000353100000000, -0.0000371100000000, -0.0000902200000000 ] - [ 0.0050806200000000, 0.0054294600000000, -0.0003952300000000 ] - [ 0.0000590900000000, -0.0000862800000000, -0.0000587900000000 ] - [ 0.0002215200000000, -0.0001150800000000, 0.0001669200000000 ] - [ 0.0001826000000000, -0.0000434900000000, 0.0001591900000000 ] - [ -0.0002919300000000, -0.0001160400000000, -0.0001601600000000 ] - [ -0.0009696500000000, -0.0001731800000000, -0.0012989600000000 ] - [ 0.0050349200000000, -0.0057041600000000, -0.0020183800000000 ] - [ -0.0005860300000000, 0.0003372600000000, 0.0020396300000000 ] - [ 0.0004130900000000, 0.0000807700000000, -0.0002231400000000 ] - [ -0.0002038500000000, -0.0001212100000000, -0.0001233400000000 ] - [ 0.0050613200000000, 0.0064777400000000, 0.0014337500000000 ] - [ 0.0000875700000000, -0.0000824300000000, -0.0002322300000000 ] - [ 0.0001389000000000, -0.0002032300000000, -0.0000853400000000 ] - [ -0.0001062700000000, -0.0002140200000000, 0.0001616300000000 ] - [ -0.0020118700000000, -0.0019706700000000, 0.0020849900000000 ] - [ 0.0011125300000000, 0.0001931600000000, 0.0000143700000000 ] - [ -0.0004469400000000, 0.0011885400000000, 0.0007758000000000 ] - [ -0.0001421200000000, -0.0001631100000000, 0.0003403500000000 ] - [ -0.0000462600000000, 0.0000298800000000, -0.0000222600000000 ] - [ -0.0000187000000000, -0.0005452800000000, -0.0029932500000000 ] - [ -0.0000968600000000, -0.0001100200000000, -0.0000385000000000 ] - [ -0.0005907700000000, -0.0001182300000000, -0.0000764500000000 ] - [ -0.0000085300000000, -0.0002733400000000, 0.0000855300000000 ] - [ 0.0000386700000000, -0.0001100500000000, -0.0001532800000000 ] - [ -0.0006263900000000, 0.0002720500000000, 0.0001734800000000 ] - [ -0.0004005300000000, -0.0004011200000000, -0.0001741200000000 ] - [ -0.0001307700000000, -0.0002195000000000, 0.0002526100000000 ] - [ -0.0000073600000000, -0.0001031400000000, -0.0000977300000000 ] - [ 0.0087137700000000, -0.0009833800000000, -0.0031526000000000 ] - [ 0.0000845600000000, -0.0002223700000000, -0.0002716800000000 ] - [ 0.0011758400000000, 0.0004393300000000, 0.0000682700000000 ] - [ -0.0000661200000000, -0.0000896800000000, 0.0002339900000000 ] - [ 0.0000499600000000, 0.0000028100000000, -0.0000058300000000 ] - [ 0.0009477700000000, -0.0015578200000000, 0.0010799100000000 ] - [ -0.0062990100000000, 0.0001594700000000, 0.0001347600000000 ] - [ 0.0000207300000000, -0.0001120400000000, 0.0001802100000000 ] - [ 0.0094313500000000, 0.0011691300000000, 0.0023674600000000 ] - [ -0.0000569200000000, -0.0000969200000000, -0.0001189300000000 ] - [ 0.0000738600000000, -0.0000977300000000, 0.0000663500000000 ] - [ 0.0016019200000000, 0.0000640700000000, -0.0002735100000000 ] - [ -0.0001220600000000, -0.0003861600000000, -0.0005263000000000 ] - [ -0.0000956300000000, -0.0002106500000000, -0.0001545200000000 ] - [ -0.0003785100000000, 0.0001851300000000, 0.0001710000000000 ] - [ 0.0008937400000000, 0.0018057500000000, -0.0006427200000000 ] - [ 0.0024351900000000, 0.0002774000000000, -0.0003593300000000 ] - [ -0.0001638700000000, -0.0000437200000000, 0.0000408500000000 ] - [ -0.0000085900000000, -0.0001145700000000, 0.0001059400000000 ] - [ 0.0000332300000000, -0.0002479700000000, -0.0001191200000000 ] - [ 0.0001785200000000, -0.0000951600000000, -0.0002618600000000 ] - [ -0.0000382000000000, -0.0001763000000000, -0.0001497500000000 ] - [ -0.0004420000000000, 0.0000662100000000, 0.0004415800000000 ] - [ 0.0000559800000000, -0.0002169100000000, 0.0000084800000000 ] - [ 0.0001051000000000, 0.0007274900000000, 0.0027427500000000 ] - [ -0.0000544300000000, -0.0000627600000000, -0.0001149700000000 ] - [ 0.0001194200000000, -0.0000974900000000, 0.0000748100000000 ] - [ -0.0002050400000000, 0.0006176400000000, 0.0003770800000000 ] - [ -0.0000545400000000, 0.0013234000000000, -0.0008439800000000 ] - [ 0.0000349200000000, -0.0000624400000000, 0.0000852600000000 ] - [ -0.0001805400000000, -0.0000030600000000, -0.0000512900000000 ] - [ 0.0000828600000000, -0.0002944000000000, -0.0000689200000000 ] - [ 0.0000070100000000, -0.0001221900000000, 0.0000523500000000 ] - [ 0.0000190700000000, -0.0001218600000000, 0.0003288000000000 ] - [ -0.0000495100000000, -0.0001231100000000, 0.0001177100000000 ] - [ -0.0000942400000000, 0.0002408400000000, -0.0002696000000000 ] - [ 0.0031552400000000, -0.0006436900000000, 0.0004162800000000 ] - [ -0.0000259700000000, -0.0000501100000000, -0.0000898000000000 ]- atom: 13 displacement: [ -0.0099999995909515, 0.0000000000000000, 0.0000028602394792 ] forces: - [ 0.0000117600000000, 0.0001763700000000, 0.0002533100000000 ] - [ -0.0002624900000000, -0.0002919300000000, -0.0000968800000000 ] - [ 0.0020865400000000, 0.0004785200000000, -0.0002145500000000 ] - [ -0.0001694100000000, 0.0001325900000000, -0.0002300500000000 ] - [ -0.0003182900000000, -0.0001319800000000, -0.0001882600000000 ] - [ -0.0003456600000000, 0.0001972200000000, 0.0000395300000000 ] - [ 0.0000485200000000, -0.0001173400000000, 0.0001625700000000 ] - [ 0.0003383900000000, -0.0002867000000000, 0.0000154500000000 ] - [ 0.0001422400000000, 0.0000657500000000, 0.0000106300000000 ] - [ 0.0002672500000000, 0.0002068900000000, 0.0001446500000000 ] - [ 0.0000413500000000, 0.0000790100000000, -0.0001263300000000 ] - [ -0.0024400000000000, 0.0004263700000000, -0.0027464700000000 ] - [ 0.0395061100000000, 0.0004899900000000, -0.0001758800000000 ] - [ -0.0003882700000000, -0.0000842700000000, 0.0012505500000000 ] - [ -0.0018335600000000, -0.0001022300000000, 0.0023348400000000 ] - [ -0.0001249800000000, 0.0000985900000000, -0.0000858300000000 ] - [ 0.0000580800000000, -0.0000817200000000, -0.0000962300000000 ] - [ 0.0000094400000000, -0.0001017400000000, 0.0000375100000000 ] - [ 0.0003154400000000, 0.0000186900000000, 0.0001123100000000 ] - [ -0.0010762500000000, 0.0002861500000000, 0.0000460000000000 ] - [ -0.0004237700000000, 0.0001765600000000, 0.0002398600000000 ] - [ -0.0000559700000000, -0.0000624900000000, 0.0000599200000000 ] - [ -0.0000016400000000, 0.0000243600000000, 0.0000023600000000 ] - [ 0.0008265300000000, 0.0002957400000000, 0.0000796300000000 ] - [ 0.0000000200000000, 0.0000108900000000, -0.0000238100000000 ] - [ -0.0000460800000000, -0.0001489900000000, -0.0000486800000000 ] - [ -0.0000074300000000, -0.0001808900000000, -0.0000117300000000 ] - [ -0.0000055400000000, -0.0001642300000000, 0.0002260900000000 ] - [ 0.0000730500000000, 0.0000258900000000, 0.0000019600000000 ] - [ 0.0000019200000000, -0.0002726800000000, -0.0000408600000000 ] - [ -0.0001207000000000, -0.0000505200000000, 0.0000290700000000 ] - [ 0.0000408600000000, 0.0000153800000000, 0.0000213300000000 ] - [ -0.0033885600000000, 0.0037822500000000, 0.0016268300000000 ] - [ 0.0000734900000000, -0.0001636700000000, 0.0000633400000000 ] - [ 0.0000416700000000, -0.0001050200000000, 0.0000206200000000 ] - [ -0.0002241300000000, 0.0000516100000000, -0.0001066000000000 ] - [ 0.0001217200000000, 0.0002812800000000, 0.0000796200000000 ] - [ -0.0000831800000000, 0.0001879800000000, -0.0002662900000000 ] - [ -0.0003719000000000, -0.0000666200000000, 0.0000593100000000 ] - [ 0.0001278800000000, -0.0000304400000000, -0.0000784000000000 ] - [ -0.0000092400000000, -0.0001707500000000, -0.0002444800000000 ] - [ -0.0007741900000000, 0.0000205200000000, -0.0014941800000000 ] - [ 0.0000158000000000, -0.0001849500000000, -0.0000120400000000 ] - [ -0.0000053700000000, -0.0002869000000000, 0.0000300700000000 ] - [ 0.0000520400000000, -0.0001077700000000, 0.0003087300000000 ] - [ -0.0000610100000000, -0.0000478200000000, -0.0001112900000000 ] - [ -0.0049996600000000, -0.0049856700000000, 0.0003794300000000 ] - [ -0.0002348100000000, -0.0001130000000000, -0.0001129900000000 ] - [ 0.0002254700000000, -0.0001236700000000, 0.0000918500000000 ] - [ 0.0003627200000000, -0.0001932000000000, 0.0001874000000000 ] - [ -0.0002693200000000, -0.0001121900000000, -0.0001896100000000 ] - [ 0.0008566500000000, 0.0003750500000000, 0.0017838900000000 ] - [ -0.0048254500000000, 0.0061327400000000, 0.0017682700000000 ] - [ 0.0011237900000000, -0.0000929400000000, -0.0016989800000000 ] - [ -0.0009756000000000, 0.0001562000000000, -0.0001236800000000 ] - [ -0.0002380400000000, -0.0001372600000000, -0.0001383600000000 ] - [ -0.0055362800000000, -0.0062507900000000, -0.0016665000000000 ] - [ 0.0000523100000000, -0.0001196200000000, -0.0002573000000000 ] - [ 0.0000453800000000, -0.0002390100000000, -0.0001748000000000 ] - [ -0.0000841200000000, -0.0002118400000000, 0.0000975700000000 ] - [ 0.0018615200000000, 0.0023420100000000, -0.0018032200000000 ] - [ -0.0006708600000000, 0.0000442300000000, 0.0002435600000000 ] - [ 0.0005694800000000, -0.0009962700000000, -0.0012789000000000 ] - [ 0.0000215800000000, -0.0000390700000000, 0.0001457600000000 ] - [ -0.0001496200000000, 0.0000187700000000, -0.0000488400000000 ] - [ -0.0001061000000000, 0.0007559600000000, 0.0027815500000000 ] - [ -0.0001005500000000, 0.0000657400000000, -0.0000278200000000 ] - [ 0.0005912900000000, 0.0003396500000000, -0.0000769800000000 ] - [ -0.0000905300000000, -0.0002739200000000, 0.0001469300000000 ] - [ 0.0000565200000000, -0.0001056600000000, -0.0001053500000000 ] - [ 0.0003909800000000, -0.0002376900000000, -0.0000382500000000 ] - [ 0.0002992500000000, 0.0005881900000000, 0.0006245400000000 ] - [ -0.0000255900000000, -0.0002207500000000, 0.0002680900000000 ] - [ 0.0000099500000000, -0.0001210300000000, -0.0000585100000000 ] - [ -0.0092751300000000, 0.0009678300000000, 0.0030749100000000 ] - [ 0.0000701300000000, -0.0002207400000000, -0.0002495000000000 ] - [ -0.0011343300000000, 0.0000766900000000, -0.0001574200000000 ] - [ -0.0000439100000000, -0.0001028700000000, 0.0002189300000000 ] - [ 0.0001478300000000, 0.0000494900000000, 0.0000718900000000 ] - [ -0.0009035900000000, 0.0017997800000000, -0.0008819400000000 ] - [ 0.0061447100000000, 0.0002708800000000, 0.0003756600000000 ] - [ 0.0000342500000000, 0.0002201000000000, 0.0000125700000000 ] - [ -0.0088160600000000, -0.0013155200000000, -0.0024139100000000 ] - [ -0.0000723500000000, -0.0001029600000000, -0.0000882900000000 ] - [ 0.0000517100000000, -0.0001019200000000, 0.0001472200000000 ] - [ -0.0014923800000000, 0.0001249800000000, -0.0002239400000000 ] - [ 0.0003546400000000, 0.0004233200000000, 0.0003875400000000 ] - [ -0.0000357500000000, -0.0002229300000000, 0.0000785900000000 ] - [ 0.0003046800000000, 0.0000335600000000, 0.0000983100000000 ] - [ -0.0009766900000000, -0.0012582500000000, 0.0008723500000000 ] - [ -0.0022960700000000, 0.0001578700000000, 0.0004508300000000 ] - [ -0.0000754800000000, 0.0000075600000000, 0.0000936800000000 ] - [ 0.0000135600000000, -0.0000430000000000, 0.0000887300000000 ] - [ 0.0000082500000000, -0.0002804600000000, -0.0000602800000000 ] - [ -0.0000683900000000, -0.0000940300000000, -0.0002280200000000 ] - [ -0.0000115900000000, -0.0003649100000000, 0.0002401900000000 ] - [ 0.0005672000000000, 0.0001330300000000, -0.0002298500000000 ] - [ 0.0000812600000000, -0.0002183000000000, 0.0000797200000000 ] - [ -0.0002408700000000, -0.0002867900000000, -0.0028259900000000 ] - [ 0.0000487000000000, -0.0001009700000000, -0.0000795200000000 ] - [ 0.0001148200000000, 0.0000647300000000, -0.0002135800000000 ] - [ 0.0001602700000000, -0.0000769300000000, -0.0002920500000000 ] - [ 0.0002015400000000, -0.0008954500000000, 0.0003298300000000 ] - [ 0.0000195900000000, -0.0000373700000000, 0.0001105900000000 ] - [ 0.0001734400000000, 0.0001582300000000, -0.0001453600000000 ] - [ -0.0000379400000000, -0.0002119700000000, -0.0000292500000000 ] - [ 0.0000586200000000, -0.0001100800000000, 0.0001557800000000 ] - [ 0.0001813000000000, 0.0000679800000000, -0.0002660400000000 ] - [ -0.0000263500000000, -0.0001012800000000, 0.0001498600000000 ] - [ 0.0000975500000000, -0.0000856200000000, 0.0004642800000000 ] - [ -0.0031030500000000, 0.0011864500000000, -0.0006016700000000 ] - [ -0.0000469300000000, -0.0000420100000000, -0.0000908200000000 ]- atom: 13 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0002098300000000, 0.0001865300000000, 0.0004564200000000 ] - [ -0.0001386600000000, -0.0002739400000000, 0.0002047600000000 ] - [ 0.0000482100000000, 0.0029766500000000, -0.0047313500000000 ] - [ -0.0000062800000000, 0.0000986200000000, -0.0001085500000000 ] - [ -0.0000120900000000, -0.0000827800000000, -0.0005907800000000 ] - [ 0.0000229700000000, 0.0003980700000000, -0.0004535300000000 ] - [ -0.0001139100000000, -0.0001143200000000, -0.0001097900000000 ] - [ 0.0002642900000000, -0.0003044300000000, 0.0001995700000000 ] - [ -0.0000011200000000, 0.0004817400000000, -0.0002605300000000 ] - [ 0.0000274900000000, -0.0003585600000000, -0.0001049200000000 ] - [ -0.0001954400000000, 0.0009381400000000, -0.0000070000000000 ] - [ -0.0002243900000000, -0.0012924800000000, -0.0000398300000000 ] - [ -0.0003621500000000, -0.0307376100000000, 0.0073977500000000 ] - [ 0.0000503200000000, -0.0008419600000000, -0.0001453300000000 ] - [ 0.0000579900000000, -0.0010829500000000, 0.0000849800000000 ] - [ -0.0000977400000000, -0.0000617100000000, -0.0000311600000000 ] - [ 0.0000665400000000, -0.0000063200000000, -0.0000729300000000 ] - [ -0.0000113800000000, 0.0000072900000000, 0.0000246300000000 ] - [ -0.0000461500000000, 0.0012232800000000, 0.0001794300000000 ] - [ -0.0000081300000000, -0.0003446600000000, -0.0000175500000000 ] - [ 0.0000479100000000, 0.0004403700000000, 0.0003978100000000 ] - [ -0.0000582200000000, -0.0001390100000000, 0.0000969700000000 ] - [ 0.0000009900000000, -0.0000309700000000, 0.0000322000000000 ] - [ -0.0001106300000000, 0.0032606200000000, 0.0014618000000000 ] - [ -0.0000047200000000, 0.0000892500000000, 0.0000097900000000 ] - [ -0.0000476200000000, -0.0002487800000000, -0.0000513900000000 ] - [ -0.0000146600000000, -0.0002295300000000, -0.0000032300000000 ] - [ 0.0000042900000000, -0.0001984800000000, 0.0002163000000000 ] - [ 0.0000747000000000, 0.0002177400000000, 0.0001525500000000 ] - [ -0.0000124800000000, -0.0003530900000000, -0.0000155600000000 ] - [ -0.0001284300000000, 0.0000316900000000, 0.0000752400000000 ] - [ 0.0000366000000000, -0.0001585300000000, 0.0001525300000000 ] - [ -0.0034814600000000, 0.0013042600000000, 0.0010673300000000 ] - [ 0.0000742500000000, 0.0001490600000000, 0.0002268600000000 ] - [ 0.0000411100000000, -0.0004504500000000, 0.0001238400000000 ] - [ -0.0000322900000000, -0.0001957900000000, -0.0001473300000000 ] - [ 0.0003865100000000, 0.0006616400000000, 0.0000553100000000 ] - [ 0.0000002800000000, 0.0007128200000000, -0.0002830500000000 ] - [ -0.0000097200000000, 0.0005650100000000, -0.0000011500000000 ] - [ 0.0001342600000000, -0.0000968600000000, -0.0000431900000000 ] - [ -0.0000179800000000, -0.0001391200000000, -0.0002329300000000 ] - [ 0.0000854100000000, -0.0007373200000000, -0.0001355900000000 ] - [ 0.0000232100000000, -0.0001580900000000, 0.0000121100000000 ] - [ -0.0000003700000000, -0.0002346200000000, 0.0000528300000000 ] - [ -0.0000433900000000, 0.0005752900000000, -0.0000701200000000 ] - [ -0.0000621300000000, 0.0001140200000000, -0.0000403400000000 ] - [ 0.0050177100000000, 0.0020459200000000, -0.0002269600000000 ] - [ -0.0000577800000000, 0.0001419600000000, -0.0001552700000000 ] - [ 0.0001754600000000, -0.0001686600000000, 0.0001900500000000 ] - [ 0.0005675900000000, -0.0000345400000000, 0.0000664400000000 ] - [ -0.0002043900000000, -0.0001652900000000, -0.0001434100000000 ] - [ -0.0000229700000000, 0.0000554500000000, 0.0016791100000000 ] - [ -0.0019852900000000, 0.0023604300000000, 0.0006026600000000 ] - [ 0.0000594200000000, -0.0001167200000000, 0.0019874900000000 ] - [ 0.0008585200000000, 0.0003081300000000, 0.0001374500000000 ] - [ -0.0002125200000000, -0.0000811100000000, -0.0001773400000000 ] - [ 0.0026608200000000, 0.0025631700000000, 0.0000607200000000 ] - [ 0.0000697000000000, -0.0000758700000000, -0.0002623600000000 ] - [ 0.0000808600000000, -0.0001708500000000, -0.0002026400000000 ] - [ -0.0000958600000000, -0.0002246400000000, 0.0001988600000000 ] - [ -0.0029779100000000, 0.0135889400000000, -0.0085690400000000 ] - [ -0.0015682800000000, 0.0004026200000000, -0.0000774600000000 ] - [ 0.0020146400000000, 0.0036671200000000, 0.0059537200000000 ] - [ -0.0002650200000000, -0.0000906100000000, 0.0000501100000000 ] - [ -0.0001085400000000, 0.0001304100000000, 0.0000768200000000 ] - [ -0.0008123000000000, -0.0004903200000000, -0.0020416500000000 ] - [ 0.0001487100000000, -0.0018752500000000, -0.0008630500000000 ] - [ 0.0000945600000000, 0.0009524400000000, 0.0002301300000000 ] - [ -0.0000212600000000, -0.0002045300000000, 0.0000509700000000 ] - [ 0.0000454300000000, -0.0001972100000000, -0.0001552800000000 ] - [ -0.0002580700000000, 0.0008516500000000, -0.0000387200000000 ] - [ -0.0021392500000000, -0.0000460300000000, 0.0000897300000000 ] - [ -0.0000661100000000, -0.0002170200000000, 0.0002286600000000 ] - [ -0.0000416800000000, -0.0001617300000000, -0.0001784300000000 ] - [ 0.0023273300000000, 0.0033459500000000, -0.0010513300000000 ] - [ 0.0001124100000000, -0.0002232400000000, -0.0003344800000000 ] - [ 0.0003806800000000, 0.0013333800000000, -0.0018794200000000 ] - [ -0.0001139400000000, -0.0000960000000000, 0.0003306900000000 ] - [ 0.0001068400000000, -0.0001987400000000, 0.0001635200000000 ] - [ -0.0005933500000000, -0.0012522100000000, 0.0004788800000000 ] - [ -0.0001094500000000, -0.0000322200000000, 0.0001411500000000 ] - [ -0.0003303100000000, -0.0023678100000000, 0.0008362400000000 ] - [ -0.0023847900000000, 0.0032109300000000, -0.0009272700000000 ] - [ -0.0000972100000000, -0.0001030900000000, -0.0000233600000000 ] - [ 0.0000848300000000, -0.0001064200000000, 0.0000153800000000 ] - [ 0.0002525500000000, -0.0000536900000000, -0.0003752900000000 ] - [ -0.0000423500000000, -0.0006641900000000, -0.0004411200000000 ] - [ -0.0000272000000000, -0.0002191200000000, 0.0000889800000000 ] - [ 0.0001812100000000, -0.0010364800000000, 0.0003187800000000 ] - [ 0.0005694900000000, -0.0011267000000000, 0.0003273200000000 ] - [ -0.0003219800000000, 0.0010411200000000, -0.0010910800000000 ] - [ -0.0000988200000000, -0.0001451200000000, 0.0001066800000000 ] - [ 0.0000050100000000, -0.0003651400000000, 0.0001382000000000 ] - [ 0.0000353200000000, -0.0003122900000000, -0.0002117400000000 ] - [ -0.0000196600000000, -0.0000872900000000, 0.0002662800000000 ] - [ 0.0000073000000000, -0.0000393200000000, 0.0002497700000000 ] - [ 0.0001045700000000, 0.0001134600000000, -0.0001537600000000 ] - [ 0.0000530200000000, -0.0002332500000000, -0.0000215200000000 ] - [ 0.0001780300000000, -0.0002156100000000, -0.0017082700000000 ] - [ 0.0000017400000000, 0.0000751600000000, -0.0001015100000000 ] - [ 0.0001281800000000, 0.0001925200000000, 0.0000468200000000 ] - [ 0.0000926200000000, -0.0004311600000000, -0.0002638600000000 ] - [ 0.0029931400000000, -0.0003428300000000, 0.0001757100000000 ] - [ 0.0000313900000000, 0.0000289500000000, 0.0000062000000000 ] - [ -0.0001538000000000, -0.0007467100000000, -0.0001586700000000 ] - [ 0.0000330600000000, -0.0003995900000000, 0.0000496300000000 ] - [ -0.0000078400000000, -0.0000543700000000, 0.0000330100000000 ] - [ 0.0001790000000000, 0.0006893500000000, -0.0001921100000000 ] - [ -0.0000479100000000, -0.0000185100000000, 0.0001070400000000 ] - [ -0.0001075600000000, 0.0008827200000000, -0.0001295000000000 ] - [ -0.0003163900000000, 0.0017870400000000, 0.0018112500000000 ] - [ -0.0000373400000000, -0.0001370700000000, -0.0001224100000000 ]- atom: 13 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0002321000000000, 0.0000658500000000, -0.0000200200000000 ] - [ -0.0003831000000000, -0.0003175000000000, -0.0003370400000000 ] - [ 0.0004759500000000, -0.0023976700000000, 0.0049190200000000 ] - [ -0.0000154800000000, 0.0001538700000000, -0.0003270800000000 ] - [ -0.0000094700000000, -0.0001682800000000, 0.0001531200000000 ] - [ -0.0005449900000000, 0.0001950200000000, 0.0003185400000000 ] - [ 0.0001361800000000, -0.0001384700000000, 0.0005457600000000 ] - [ 0.0002578400000000, -0.0002887500000000, -0.0000646800000000 ] - [ 0.0000389500000000, -0.0002612900000000, 0.0002737300000000 ] - [ 0.0000919100000000, 0.0006409300000000, 0.0002869900000000 ] - [ 0.0001923500000000, -0.0003740600000000, -0.0000673100000000 ] - [ 0.0002375200000000, 0.0012543800000000, 0.0000256500000000 ] - [ 0.0001018600000000, 0.0301380800000000, -0.0072629400000000 ] - [ 0.0001288300000000, 0.0006478700000000, 0.0003108700000000 ] - [ 0.0000453400000000, 0.0012543900000000, -0.0002430000000000 ] - [ -0.0000786000000000, 0.0002558900000000, -0.0001398600000000 ] - [ 0.0000463700000000, -0.0001656600000000, -0.0000965700000000 ] - [ -0.0000256900000000, -0.0002277400000000, -0.0000385600000000 ] - [ -0.0000658700000000, -0.0010556100000000, -0.0000072600000000 ] - [ 0.0000114600000000, 0.0009056400000000, 0.0000920100000000 ] - [ -0.0000254400000000, -0.0001083600000000, 0.0000713400000000 ] - [ -0.0000615200000000, -0.0000281500000000, 0.0000677600000000 ] - [ 0.0000000100000000, 0.0000657300000000, -0.0000057600000000 ] - [ 0.0000777600000000, -0.0029168200000000, -0.0014715700000000 ] - [ 0.0000036000000000, -0.0000542000000000, -0.0000356000000000 ] - [ -0.0000708100000000, -0.0000332100000000, -0.0001346100000000 ] - [ -0.0000188600000000, -0.0001420900000000, 0.0000141800000000 ] - [ 0.0000175000000000, -0.0001324400000000, 0.0002521000000000 ] - [ 0.0001017300000000, -0.0000208700000000, 0.0000165700000000 ] - [ 0.0000098300000000, -0.0002102300000000, -0.0000587000000000 ] - [ -0.0001285200000000, -0.0000844700000000, 0.0000459800000000 ] - [ 0.0000600900000000, 0.0000733900000000, 0.0000438000000000 ] - [ 0.0034366600000000, -0.0009758200000000, -0.0015255400000000 ] - [ 0.0000449900000000, -0.0004339300000000, -0.0000417000000000 ] - [ -0.0000043500000000, 0.0002329300000000, -0.0001115100000000 ] - [ -0.0000649100000000, 0.0002818400000000, -0.0000477600000000 ] - [ -0.0001280800000000, -0.0006091100000000, -0.0001757200000000 ] - [ -0.0001215800000000, -0.0004283400000000, 0.0000953000000000 ] - [ 0.0000108900000000, -0.0005996000000000, 0.0000266400000000 ] - [ 0.0001235000000000, 0.0000444200000000, -0.0000777900000000 ] - [ -0.0000041400000000, -0.0001931800000000, -0.0002355000000000 ] - [ -0.0001268000000000, 0.0009553800000000, 0.0001163500000000 ] - [ 0.0000103800000000, -0.0002144500000000, -0.0000221800000000 ] - [ 0.0000038000000000, -0.0003293600000000, 0.0000217500000000 ] - [ 0.0001410200000000, -0.0004931000000000, 0.0002634000000000 ] - [ -0.0000356500000000, -0.0001961800000000, -0.0001520300000000 ] - [ -0.0049456800000000, -0.0016760100000000, 0.0002136000000000 ] - [ -0.0001187500000000, -0.0003373400000000, -0.0000137200000000 ] - [ 0.0002709400000000, -0.0000661300000000, 0.0000814800000000 ] - [ 0.0000062900000000, -0.0001894500000000, 0.0002761100000000 ] - [ -0.0003700100000000, -0.0000577000000000, -0.0001987000000000 ] - [ -0.0001195200000000, 0.0001419500000000, -0.0012067900000000 ] - [ 0.0022082900000000, -0.0019141300000000, -0.0008600700000000 ] - [ 0.0005169000000000, 0.0003456000000000, -0.0016477000000000 ] - [ -0.0014330100000000, -0.0000852700000000, -0.0004796400000000 ] - [ -0.0002334500000000, -0.0001509100000000, -0.0000911000000000 ] - [ -0.0031542700000000, -0.0023070000000000, -0.0003178100000000 ] - [ 0.0000733200000000, -0.0001169900000000, -0.0002091000000000 ] - [ 0.0001072700000000, -0.0002462800000000, -0.0000627800000000 ] - [ -0.0000908900000000, -0.0001928000000000, 0.0000668400000000 ] - [ 0.0027608200000000, -0.0129483300000000, 0.0086848000000000 ] - [ 0.0020125800000000, -0.0001713700000000, 0.0003468500000000 ] - [ -0.0018606300000000, -0.0034297100000000, -0.0063861500000000 ] - [ 0.0001221200000000, -0.0001061000000000, 0.0004243800000000 ] - [ -0.0000923500000000, -0.0000794300000000, -0.0001449800000000 ] - [ 0.0006944400000000, 0.0006955100000000, 0.0018452600000000 ] - [ -0.0003499300000000, 0.0018256000000000, 0.0007993400000000 ] - [ -0.0000964000000000, -0.0007334900000000, -0.0003916500000000 ] - [ -0.0000205200000000, -0.0003234400000000, 0.0001285800000000 ] - [ 0.0000359800000000, -0.0000322300000000, -0.0001108600000000 ] - [ 0.0000237700000000, -0.0008179100000000, 0.0001795800000000 ] - [ 0.0020285400000000, 0.0002403700000000, 0.0003674900000000 ] - [ -0.0000883800000000, -0.0002244700000000, 0.0002944600000000 ] - [ 0.0000385700000000, -0.0000537400000000, 0.0000155500000000 ] - [ -0.0022879300000000, -0.0031239600000000, 0.0007851800000000 ] - [ 0.0000423800000000, -0.0002189300000000, -0.0001883500000000 ] - [ -0.0003376800000000, -0.0007844100000000, 0.0017802500000000 ] - [ 0.0000072200000000, -0.0000981900000000, 0.0001285200000000 ] - [ 0.0000923100000000, 0.0002500200000000, -0.0000951400000000 ] - [ 0.0006160300000000, 0.0014604300000000, -0.0003078800000000 ] - [ -0.0000456400000000, 0.0004681900000000, 0.0003829300000000 ] - [ 0.0003859500000000, 0.0024618700000000, -0.0006409000000000 ] - [ 0.0023760300000000, -0.0031228100000000, 0.0007290500000000 ] - [ -0.0000337400000000, -0.0000991900000000, -0.0001699600000000 ] - [ 0.0000467700000000, -0.0000958200000000, 0.0001769500000000 ] - [ -0.0001466800000000, 0.0002480000000000, -0.0000834300000000 ] - [ 0.0002744600000000, 0.0006935800000000, 0.0002993700000000 ] - [ -0.0001019200000000, -0.0002194100000000, -0.0001577500000000 ] - [ -0.0002614800000000, 0.0012649500000000, -0.0000524700000000 ] - [ -0.0006339200000000, 0.0016476000000000, -0.0001399800000000 ] - [ 0.0004536900000000, -0.0002784000000000, 0.0012022800000000 ] - [ -0.0001347900000000, 0.0001135800000000, 0.0000342100000000 ] - [ -0.0000035600000000, 0.0002014600000000, 0.0000531200000000 ] - [ 0.0000064100000000, -0.0002162800000000, 0.0000322800000000 ] - [ 0.0001263200000000, -0.0001074000000000, -0.0007285900000000 ] - [ -0.0000497300000000, -0.0004944700000000, -0.0001544100000000 ] - [ 0.0000261800000000, 0.0000891900000000, 0.0003475400000000 ] - [ 0.0000768600000000, -0.0002045200000000, 0.0000889800000000 ] - [ -0.0003163500000000, 0.0006552300000000, 0.0016329100000000 ] - [ -0.0000017300000000, -0.0002384900000000, -0.0000900300000000 ] - [ 0.0001062500000000, -0.0002234800000000, -0.0001873000000000 ] - [ -0.0001338300000000, 0.0009644100000000, 0.0003585200000000 ] - [ -0.0028345800000000, 0.0007796100000000, -0.0006943200000000 ] - [ 0.0000259400000000, -0.0001230900000000, 0.0001919100000000 ] - [ 0.0001532300000000, 0.0009104900000000, -0.0000331100000000 ] - [ 0.0000094000000000, -0.0001352100000000, -0.0001456000000000 ] - [ 0.0000097300000000, -0.0001614200000000, 0.0001289300000000 ] - [ 0.0000215700000000, -0.0007411100000000, 0.0002599700000000 ] - [ -0.0000328400000000, -0.0002100400000000, 0.0001597400000000 ] - [ 0.0001082200000000, -0.0007201100000000, 0.0003204700000000 ] - [ 0.0003604400000000, -0.0011896100000000, -0.0020120300000000 ] - [ -0.0000196300000000, 0.0000422800000000, -0.0000757000000000 ]- atom: 13 displacement: [ -0.0000185648863736, 0.0000000000000000, 0.0099999827672348 ] forces: - [ -0.0002697500000000, 0.0001868000000000, 0.0004688300000000 ] - [ -0.0001549700000000, -0.0002263400000000, 0.0001328200000000 ] - [ 0.0004992700000000, -0.0041743300000000, 0.0032259800000000 ] - [ -0.0000138800000000, 0.0001054300000000, 0.0000321400000000 ] - [ 0.0000062000000000, -0.0001459800000000, -0.0003455500000000 ] - [ -0.0005462000000000, 0.0001968500000000, 0.0003423400000000 ] - [ 0.0000934900000000, -0.0002115200000000, 0.0004995600000000 ] - [ 0.0002691600000000, -0.0003277600000000, 0.0003202700000000 ] - [ 0.0000553700000000, 0.0001054800000000, 0.0002210400000000 ] - [ 0.0000414700000000, 0.0001159900000000, 0.0009825600000000 ] - [ 0.0001096100000000, 0.0001961100000000, -0.0001200200000000 ] - [ 0.0029548700000000, -0.0001712600000000, 0.0012884800000000 ] - [ -0.0000116900000000, 0.0072992800000000, -0.0130966600000000 ] - [ -0.0012337100000000, -0.0002328000000000, 0.0010029200000000 ] - [ -0.0024834000000000, 0.0000964500000000, 0.0012568400000000 ] - [ -0.0000948500000000, 0.0001130300000000, -0.0000254000000000 ] - [ 0.0000719800000000, -0.0001036900000000, 0.0000213100000000 ] - [ -0.0000104900000000, -0.0001133300000000, 0.0001821000000000 ] - [ -0.0001352900000000, -0.0001144300000000, -0.0004708600000000 ] - [ -0.0000070100000000, 0.0002954100000000, -0.0001257800000000 ] - [ 0.0000580800000000, 0.0001645600000000, 0.0001074300000000 ] - [ -0.0000560600000000, -0.0000595700000000, 0.0001987800000000 ] - [ -0.0000126900000000, 0.0000370600000000, 0.0001250700000000 ] - [ -0.0000863600000000, 0.0015696000000000, -0.0001757200000000 ] - [ -0.0000086300000000, -0.0000007400000000, 0.0000970200000000 ] - [ -0.0000549900000000, -0.0001428800000000, 0.0000822500000000 ] - [ -0.0000131400000000, -0.0001699000000000, 0.0001181400000000 ] - [ 0.0000117700000000, -0.0001417000000000, 0.0003361300000000 ] - [ 0.0000814800000000, 0.0001133600000000, 0.0002737300000000 ] - [ -0.0000156400000000, -0.0002596600000000, 0.0000693500000000 ] - [ -0.0001222700000000, -0.0000412000000000, 0.0001696800000000 ] - [ 0.0000422400000000, -0.0000493600000000, 0.0003047000000000 ] - [ -0.0018802800000000, 0.0015555400000000, -0.0010266600000000 ] - [ 0.0000895200000000, -0.0001840400000000, 0.0003241300000000 ] - [ 0.0000465000000000, -0.0001631700000000, 0.0004031000000000 ] - [ -0.0000478500000000, 0.0000116900000000, 0.0000232700000000 ] - [ -0.0000143400000000, -0.0000869300000000, -0.0003562900000000 ] - [ 0.0001545000000000, 0.0001228000000000, -0.0001403900000000 ] - [ 0.0000164000000000, -0.0000841900000000, -0.0001991500000000 ] - [ 0.0001409000000000, -0.0000104600000000, 0.0000464100000000 ] - [ -0.0000134800000000, -0.0001876500000000, -0.0001193100000000 ] - [ 0.0016619600000000, 0.0001640500000000, 0.0011012500000000 ] - [ 0.0000225700000000, -0.0002002600000000, 0.0000972400000000 ] - [ -0.0000049200000000, -0.0003051300000000, 0.0001408000000000 ] - [ -0.0001862200000000, 0.0000179000000000, 0.0000034300000000 ] - [ -0.0000695600000000, -0.0000446300000000, -0.0000526500000000 ] - [ -0.0004696000000000, -0.0001385500000000, -0.0019380400000000 ] - [ -0.0001192000000000, -0.0000820300000000, 0.0000041800000000 ] - [ 0.0001408100000000, -0.0000974700000000, 0.0005984000000000 ] - [ 0.0001341300000000, -0.0001411400000000, 0.0006933600000000 ] - [ -0.0003612400000000, -0.0001368800000000, 0.0003017300000000 ] - [ -0.0005403400000000, 0.0003599600000000, 0.0001691300000000 ] - [ -0.0004034900000000, -0.0001232100000000, -0.0009676000000000 ] - [ 0.0005817900000000, 0.0005760200000000, 0.0002729700000000 ] - [ 0.0007660500000000, 0.0001153400000000, -0.0013488900000000 ] - [ -0.0002982700000000, -0.0001489700000000, 0.0003493100000000 ] - [ 0.0000319400000000, -0.0006172300000000, -0.0015254300000000 ] - [ 0.0001041800000000, -0.0001522000000000, 0.0003064700000000 ] - [ 0.0001393200000000, -0.0002739000000000, 0.0003620600000000 ] - [ -0.0000783900000000, -0.0001070700000000, 0.0006482900000000 ] - [ 0.0026594400000000, -0.0096571300000000, -0.0038630600000000 ] - [ 0.0016551600000000, 0.0001177000000000, -0.0010209300000000 ] - [ 0.0016976200000000, 0.0060941500000000, -0.0027450500000000 ] - [ 0.0000710400000000, -0.0001518000000000, 0.0008312800000000 ] - [ -0.0000578400000000, 0.0002248900000000, -0.0003836200000000 ] - [ -0.0015032200000000, -0.0004950300000000, 0.0013236300000000 ] - [ 0.0000608000000000, -0.0002348800000000, 0.0002552800000000 ] - [ 0.0000643100000000, 0.0001464100000000, 0.0000575400000000 ] - [ 0.0000628700000000, -0.0004117100000000, -0.0001763900000000 ] - [ 0.0000112100000000, 0.0000517700000000, -0.0003329700000000 ] - [ 0.0000435400000000, -0.0000906900000000, 0.0002408300000000 ] - [ -0.0016069400000000, -0.0001835000000000, 0.0002036300000000 ] - [ -0.0000868200000000, -0.0002206400000000, 0.0001521800000000 ] - [ -0.0000844100000000, 0.0000293000000000, -0.0003338200000000 ] - [ -0.0018157100000000, -0.0000177000000000, 0.0031255600000000 ] - [ 0.0000953700000000, -0.0002194500000000, -0.0003744400000000 ] - [ -0.0009463400000000, -0.0044991900000000, -0.0019425400000000 ] - [ 0.0000014200000000, -0.0000989800000000, 0.0000655500000000 ] - [ -0.0000373600000000, -0.0000323100000000, -0.0001677300000000 ] - [ 0.0003169900000000, 0.0004661700000000, 0.0004140600000000 ] - [ 0.0000976500000000, 0.0002823600000000, 0.0002706500000000 ] - [ 0.0002882500000000, 0.0010680600000000, 0.0002173500000000 ] - [ 0.0014864200000000, -0.0002572900000000, 0.0030394000000000 ] - [ 0.0001342100000000, -0.0000868000000000, -0.0008720100000000 ] - [ 0.0002561500000000, -0.0001080500000000, -0.0006575700000000 ] - [ 0.0001589700000000, -0.0001084600000000, -0.0006228100000000 ] - [ 0.0000200600000000, -0.0001526600000000, -0.0002814400000000 ] - [ -0.0002604200000000, -0.0001858300000000, -0.0008265700000000 ] - [ -0.0001275000000000, 0.0001425700000000, 0.0002362500000000 ] - [ -0.0002013200000000, 0.0005635700000000, 0.0005969200000000 ] - [ 0.0020183500000000, -0.0001470800000000, 0.0078687500000000 ] - [ -0.0001812700000000, -0.0001324000000000, -0.0002047200000000 ] - [ 0.0000878200000000, -0.0001882400000000, -0.0000590400000000 ] - [ 0.0000884400000000, -0.0001190500000000, -0.0003512200000000 ] - [ 0.0000969500000000, -0.0000828000000000, -0.0006667900000000 ] - [ -0.0001832300000000, -0.0000665400000000, -0.0003024600000000 ] - [ -0.0004868400000000, 0.0000240700000000, 0.0022595100000000 ] - [ -0.0001365800000000, -0.0002519800000000, -0.0007856300000000 ] - [ 0.0008820200000000, -0.0000073800000000, 0.0012152700000000 ] - [ -0.0000439400000000, 0.0000809700000000, -0.0003335700000000 ] - [ 0.0002224300000000, 0.0001509800000000, -0.0003265500000000 ] - [ 0.0000694400000000, 0.0002140700000000, -0.0001506200000000 ] - [ -0.0020063300000000, 0.0007104700000000, -0.0003706600000000 ] - [ 0.0000575900000000, -0.0002620500000000, -0.0001710200000000 ] - [ -0.0000223400000000, 0.0001363600000000, 0.0000242700000000 ] - [ 0.0000662900000000, -0.0004062000000000, -0.0003585400000000 ] - [ -0.0000760400000000, -0.0002583800000000, -0.0001951000000000 ] - [ 0.0002096700000000, -0.0002440700000000, -0.0001955200000000 ] - [ -0.0000645500000000, -0.0002778600000000, -0.0000478700000000 ] - [ -0.0001141000000000, -0.0002596800000000, -0.0001979900000000 ] - [ -0.0014526200000000, 0.0057265300000000, 0.0015563100000000 ] - [ 0.0000079500000000, 0.0001382500000000, -0.0003065600000000 ]- atom: 13 displacement: [ 0.0000185648863736, 0.0000000000000000, -0.0099999827672348 ] forces: - [ 0.0002990300000000, 0.0000604600000000, -0.0000237200000000 ] - [ -0.0003841900000000, -0.0003751600000000, -0.0002785800000000 ] - [ 0.0000395000000000, 0.0047640800000000, -0.0029339400000000 ] - [ -0.0000077400000000, 0.0001355700000000, -0.0004764500000000 ] - [ -0.0000339700000000, -0.0000880400000000, -0.0001190800000000 ] - [ 0.0000242100000000, 0.0003983000000000, -0.0004700400000000 ] - [ -0.0000713300000000, -0.0000357100000000, -0.0000581300000000 ] - [ 0.0002503000000000, -0.0002600800000000, -0.0001910900000000 ] - [ -0.0000172100000000, 0.0001183400000000, -0.0002009200000000 ] - [ 0.0000761700000000, 0.0001670900000000, -0.0007980700000000 ] - [ -0.0001119400000000, 0.0003707600000000, 0.0000556300000000 ] - [ -0.0029839900000000, 0.0001354200000000, -0.0013015200000000 ] - [ -0.0002463800000000, -0.0074412000000000, 0.0134053500000000 ] - [ 0.0014996200000000, -0.0000686400000000, -0.0008334600000000 ] - [ 0.0026351300000000, 0.0000621500000000, -0.0014116600000000 ] - [ -0.0000830100000000, 0.0000722700000000, -0.0001460800000000 ] - [ 0.0000481900000000, -0.0000526600000000, -0.0001912700000000 ] - [ -0.0000281000000000, -0.0001076400000000, -0.0001941800000000 ] - [ 0.0000150000000000, 0.0003399100000000, 0.0006843200000000 ] - [ 0.0000064500000000, 0.0002483300000000, 0.0002018600000000 ] - [ -0.0000362800000000, 0.0001725900000000, 0.0003731100000000 ] - [ -0.0000667500000000, -0.0001031500000000, -0.0000333400000000 ] - [ 0.0000122200000000, -0.0000021100000000, -0.0000975700000000 ] - [ 0.0000548100000000, -0.0011871500000000, 0.0002268600000000 ] - [ 0.0000085200000000, 0.0000385100000000, -0.0001268900000000 ] - [ -0.0000632100000000, -0.0001383600000000, -0.0002716100000000 ] - [ -0.0000201700000000, -0.0002111100000000, -0.0001171900000000 ] - [ 0.0000076200000000, -0.0001929400000000, 0.0001250600000000 ] - [ 0.0000944100000000, 0.0000857800000000, -0.0001010100000000 ] - [ 0.0000141000000000, -0.0003046000000000, -0.0001489000000000 ] - [ -0.0001357500000000, -0.0000084100000000, -0.0000510200000000 ] - [ 0.0000547600000000, -0.0000322700000000, -0.0001114600000000 ] - [ 0.0018691000000000, -0.0012440400000000, 0.0005467900000000 ] - [ 0.0000284500000000, -0.0000511400000000, -0.0001792500000000 ] - [ -0.0000092400000000, -0.0001234700000000, -0.0004749600000000 ] - [ -0.0000498000000000, 0.0000725000000000, -0.0002118000000000 ] - [ 0.0002728100000000, 0.0001492300000000, 0.0002561800000000 ] - [ -0.0003272800000000, 0.0002343100000000, -0.0000541500000000 ] - [ -0.0000140300000000, 0.0000668300000000, 0.0002280000000000 ] - [ 0.0001174000000000, -0.0000433300000000, -0.0001663400000000 ] - [ -0.0000092200000000, -0.0001478300000000, -0.0003474100000000 ] - [ -0.0017687600000000, -0.0000486800000000, -0.0011065500000000 ] - [ 0.0000110600000000, -0.0001763400000000, -0.0001055500000000 ] - [ 0.0000060800000000, -0.0002557500000000, -0.0000641800000000 ] - [ 0.0003427900000000, 0.0001365600000000, 0.0001801500000000 ] - [ -0.0000271400000000, -0.0000263100000000, -0.0001322600000000 ] - [ 0.0004748200000000, 0.0004788200000000, 0.0019421200000000 ] - [ -0.0000567100000000, -0.0001170100000000, -0.0001701200000000 ] - [ 0.0003099500000000, -0.0001367800000000, -0.0003184200000000 ] - [ 0.0005043700000000, -0.0000592200000000, -0.0004083300000000 ] - [ -0.0002139300000000, -0.0000856600000000, -0.0006431400000000 ] - [ 0.0004074300000000, -0.0001718300000000, 0.0003204500000000 ] - [ 0.0006204100000000, 0.0005640100000000, 0.0007069000000000 ] - [ -0.0000141500000000, -0.0003585600000000, 0.0000856400000000 ] - [ -0.0013473600000000, 0.0001043400000000, 0.0010086600000000 ] - [ -0.0001497000000000, -0.0000802800000000, -0.0006274100000000 ] - [ -0.0004879700000000, 0.0008718500000000, 0.0012616200000000 ] - [ 0.0000382900000000, -0.0000382600000000, -0.0007792300000000 ] - [ 0.0000480700000000, -0.0001380400000000, -0.0006438000000000 ] - [ -0.0001127700000000, -0.0003089800000000, -0.0003751800000000 ] - [ -0.0028552500000000, 0.0101061800000000, 0.0041401900000000 ] - [ -0.0012074500000000, 0.0001126200000000, 0.0012962700000000 ] - [ -0.0015634800000000, -0.0058602200000000, 0.0022864100000000 ] - [ -0.0002690400000000, -0.0000142100000000, -0.0004783000000000 ] - [ -0.0001484000000000, -0.0001760600000000, 0.0003144700000000 ] - [ 0.0013906100000000, 0.0007098200000000, -0.0015444200000000 ] - [ -0.0002638800000000, 0.0001483300000000, -0.0003298500000000 ] - [ -0.0000632800000000, 0.0000642200000000, -0.0002166000000000 ] - [ -0.0001046500000000, -0.0001077300000000, 0.0003541800000000 ] - [ 0.0000711500000000, -0.0002826900000000, 0.0000653100000000 ] - [ -0.0002744400000000, 0.0001278200000000, -0.0001015900000000 ] - [ 0.0015009800000000, 0.0003773700000000, 0.0002616200000000 ] - [ -0.0000661800000000, -0.0002236000000000, 0.0003700900000000 ] - [ 0.0000832600000000, -0.0002337100000000, 0.0001720200000000 ] - [ 0.0017744200000000, 0.0002200800000000, -0.0034701100000000 ] - [ 0.0000564500000000, -0.0002240900000000, -0.0001439800000000 ] - [ 0.0009881900000000, 0.0051507800000000, 0.0018123600000000 ] - [ -0.0001091200000000, -0.0000963100000000, 0.0003922500000000 ] - [ 0.0002476700000000, 0.0000871800000000, 0.0002865600000000 ] - [ -0.0005023500000000, -0.0002931500000000, -0.0003824800000000 ] - [ -0.0002557000000000, 0.0001636900000000, 0.0002483500000000 ] - [ -0.0002289100000000, -0.0009689000000000, -0.0000086100000000 ] - [ -0.0014547800000000, 0.0003355100000000, -0.0033543200000000 ] - [ -0.0002736000000000, -0.0001223300000000, 0.0006783600000000 ] - [ -0.0001254400000000, -0.0000984200000000, 0.0008547000000000 ] - [ -0.0000520200000000, 0.0003075900000000, 0.0001733200000000 ] - [ 0.0002115200000000, 0.0001846100000000, 0.0001416600000000 ] - [ 0.0001386900000000, -0.0002573000000000, 0.0007595300000000 ] - [ 0.0000450500000000, 0.0000845800000000, 0.0000354200000000 ] - [ 0.0003219600000000, -0.0000815800000000, -0.0005787400000000 ] - [ -0.0018879100000000, 0.0005953000000000, -0.0077930700000000 ] - [ -0.0000505300000000, 0.0001008600000000, 0.0003463100000000 ] - [ -0.0000910600000000, 0.0000237300000000, 0.0002734100000000 ] - [ -0.0000460800000000, -0.0004004000000000, 0.0001775200000000 ] - [ -0.0000028100000000, -0.0001250500000000, 0.0004033800000000 ] - [ 0.0001607300000000, -0.0004856900000000, 0.0004986800000000 ] - [ 0.0006200700000000, 0.0001854100000000, -0.0020643900000000 ] - [ 0.0002657400000000, -0.0001890000000000, 0.0008590100000000 ] - [ -0.0010271900000000, 0.0004530400000000, -0.0013125000000000 ] - [ 0.0000491300000000, -0.0002473400000000, 0.0001424500000000 ] - [ 0.0000145200000000, -0.0001939400000000, 0.0002285900000000 ] - [ -0.0001106500000000, 0.0003205400000000, 0.0002493100000000 ] - [ 0.0021700400000000, -0.0002667200000000, -0.0001480300000000 ] - [ 0.0000020200000000, 0.0001690900000000, 0.0003781200000000 ] - [ 0.0000277100000000, 0.0000249700000000, -0.0002165000000000 ] - [ -0.0000255200000000, -0.0001269200000000, 0.0002625600000000 ] - [ 0.0000755700000000, 0.0000527300000000, 0.0003568000000000 ] - [ -0.0000041800000000, 0.0001983500000000, 0.0002695800000000 ] - [ -0.0000182800000000, 0.0000502400000000, 0.0003214400000000 ] - [ 0.0001095100000000, 0.0004310600000000, 0.0003954100000000 ] - [ 0.0015113100000000, -0.0051023600000000, -0.0018819500000000 ] - [ -0.0000671400000000, -0.0002352500000000, 0.0001063500000000 ]- atom: 14 displacement: [ 0.0099999995909515, 0.0000000000000000, -0.0000028602394792 ] forces: - [ -0.0017647100000000, 0.0001639700000000, 0.0002737900000000 ] - [ 0.0000676800000000, -0.0002749900000000, -0.0000125700000000 ] - [ 0.0043604000000000, -0.0045970200000000, -0.0017713400000000 ] - [ -0.0000011100000000, 0.0001244100000000, -0.0002510000000000 ] - [ 0.0026876000000000, 0.0033530000000000, -0.0007419000000000 ] - [ -0.0001703300000000, 0.0003026000000000, -0.0001039400000000 ] - [ -0.0000363500000000, -0.0001207400000000, 0.0001869300000000 ] - [ 0.0002497200000000, -0.0002961000000000, 0.0000314900000000 ] - [ 0.0000150900000000, 0.0001337800000000, -0.0000648400000000 ] - [ 0.0000495900000000, 0.0001186700000000, 0.0000451900000000 ] - [ -0.0001004300000000, 0.0002840000000000, -0.0000814500000000 ] - [ -0.0000372400000000, -0.0000176500000000, -0.0000236300000000 ] - [ 0.0003239600000000, -0.0000116500000000, -0.0012601300000000 ] - [ -0.0357421200000000, 0.0015314100000000, 0.0012960100000000 ] - [ 0.0001322900000000, 0.0000926700000000, -0.0001127700000000 ] - [ 0.0029138200000000, -0.0007041900000000, -0.0035889500000000 ] - [ 0.0000841600000000, -0.0000686100000000, -0.0000997300000000 ] - [ -0.0000142000000000, -0.0001116900000000, -0.0000280600000000 ] - [ -0.0001187500000000, 0.0000672400000000, -0.0001787500000000 ] - [ 0.0015178100000000, 0.0001994200000000, 0.0024852000000000 ] - [ 0.0000146500000000, 0.0001185000000000, 0.0002431600000000 ] - [ -0.0000712600000000, -0.0000999000000000, 0.0000842900000000 ] - [ 0.0000005200000000, 0.0000175000000000, -0.0000106000000000 ] - [ -0.0000452600000000, 0.0002524600000000, -0.0000641300000000 ] - [ 0.0000108400000000, 0.0000568500000000, -0.0000568800000000 ] - [ -0.0000545500000000, -0.0001373800000000, -0.0001207100000000 ] - [ -0.0000433800000000, -0.0001939400000000, 0.0000289000000000 ] - [ 0.0000485400000000, -0.0000988000000000, 0.0001033100000000 ] - [ 0.0000818700000000, 0.0001036000000000, 0.0000580200000000 ] - [ -0.0000898200000000, -0.0003183000000000, -0.0000481700000000 ] - [ -0.0001415100000000, -0.0000126500000000, 0.0000531000000000 ] - [ 0.0000456400000000, -0.0000476300000000, 0.0000710700000000 ] - [ -0.0024258600000000, 0.0001182500000000, -0.0001599900000000 ] - [ 0.0000402800000000, -0.0000801300000000, 0.0003897300000000 ] - [ 0.0022462800000000, 0.0001609200000000, 0.0030941800000000 ] - [ -0.0000465700000000, 0.0000691600000000, -0.0000950500000000 ] - [ 0.0002774500000000, -0.0000033400000000, -0.0000913200000000 ] - [ 0.0005822400000000, 0.0001155800000000, -0.0000168100000000 ] - [ -0.0000928300000000, -0.0001569600000000, 0.0002581100000000 ] - [ 0.0001686400000000, -0.0000370700000000, -0.0000666100000000 ] - [ -0.0000212500000000, -0.0001504200000000, -0.0002462000000000 ] - [ 0.0012142600000000, 0.0001801200000000, 0.0000625100000000 ] - [ 0.0000344300000000, -0.0001820200000000, -0.0000113400000000 ] - [ 0.0000082500000000, -0.0002806000000000, 0.0000253900000000 ] - [ -0.0006274600000000, 0.0000456000000000, 0.0002238200000000 ] - [ 0.0000080100000000, 0.0000824000000000, -0.0004213000000000 ] - [ 0.0003183500000000, 0.0002143500000000, 0.0000011800000000 ] - [ -0.0000772700000000, -0.0001214500000000, -0.0000619100000000 ] - [ 0.0001278300000000, -0.0002940800000000, 0.0000237700000000 ] - [ 0.0004359600000000, 0.0001837200000000, 0.0004865500000000 ] - [ -0.0002537500000000, -0.0001047000000000, -0.0002496200000000 ] - [ -0.0000715400000000, 0.0001141300000000, 0.0001128600000000 ] - [ 0.0003968500000000, 0.0005294600000000, -0.0001532400000000 ] - [ 0.0002420600000000, 0.0001261200000000, 0.0001606400000000 ] - [ 0.0042467700000000, -0.0035872100000000, 0.0021292800000000 ] - [ -0.0001895400000000, -0.0000717200000000, -0.0003260800000000 ] - [ 0.0002053900000000, 0.0003892600000000, 0.0005435400000000 ] - [ 0.0000957100000000, -0.0000910000000000, -0.0002503600000000 ] - [ 0.0001598800000000, -0.0002004800000000, -0.0001510800000000 ] - [ -0.0002149900000000, -0.0000596100000000, 0.0001732900000000 ] - [ -0.0007843000000000, 0.0004751400000000, -0.0011230700000000 ] - [ -0.0005568900000000, -0.0001176000000000, 0.0013442000000000 ] - [ 0.0043243800000000, 0.0042705400000000, -0.0027156300000000 ] - [ 0.0002387000000000, -0.0001933900000000, 0.0003818000000000 ] - [ -0.0000978700000000, 0.0000139400000000, 0.0000037700000000 ] - [ -0.0001836900000000, 0.0000364400000000, -0.0000696200000000 ] - [ 0.0006105900000000, -0.0014228500000000, -0.0007472600000000 ] - [ -0.0001310000000000, -0.0000290400000000, -0.0002499400000000 ] - [ -0.0000456300000000, -0.0002359800000000, 0.0001186900000000 ] - [ 0.0000593000000000, -0.0001935200000000, -0.0000769500000000 ] - [ 0.0078733000000000, -0.0020213200000000, -0.0010630300000000 ] - [ -0.0065192800000000, -0.0001126300000000, 0.0004188800000000 ] - [ -0.0001619100000000, -0.0002276900000000, 0.0002801100000000 ] - [ -0.0000671300000000, -0.0001295500000000, -0.0000549800000000 ] - [ 0.0031344300000000, -0.0001614000000000, -0.0002969600000000 ] - [ 0.0002637700000000, -0.0002228300000000, -0.0002562600000000 ] - [ 0.0080162900000000, 0.0015428800000000, 0.0024798000000000 ] - [ -0.0001067200000000, -0.0000944700000000, 0.0002503700000000 ] - [ -0.0005579200000000, -0.0000207800000000, 0.0002084100000000 ] - [ 0.0005873100000000, 0.0003931000000000, 0.0000528300000000 ] - [ -0.0004324800000000, 0.0002561900000000, -0.0001471900000000 ] - [ -0.0000136200000000, -0.0003475100000000, 0.0003633700000000 ] - [ -0.0006899500000000, -0.0000768400000000, -0.0000306100000000 ] - [ -0.0002596000000000, -0.0000668600000000, 0.0003661800000000 ] - [ 0.0000330200000000, -0.0000845300000000, 0.0002489400000000 ] - [ 0.0000926700000000, 0.0000791300000000, -0.0002003700000000 ] - [ 0.0001499900000000, 0.0000303000000000, -0.0000672900000000 ] - [ -0.0000530100000000, -0.0002105100000000, 0.0000212500000000 ] - [ -0.0000701900000000, 0.0004964500000000, -0.0000884200000000 ] - [ -0.0009230500000000, 0.0002927100000000, 0.0007366600000000 ] - [ 0.0007185900000000, 0.0002225200000000, 0.0023641100000000 ] - [ -0.0001088300000000, -0.0000051800000000, 0.0001036600000000 ] - [ 0.0000461200000000, -0.0006101500000000, -0.0000765400000000 ] - [ -0.0000147500000000, -0.0003033500000000, -0.0001085300000000 ] - [ 0.0001932800000000, 0.0002474700000000, -0.0009938500000000 ] - [ -0.0010264200000000, -0.0002571500000000, 0.0001087000000000 ] - [ 0.0007162200000000, 0.0000405500000000, -0.0023760600000000 ] - [ 0.0000758300000000, -0.0002353500000000, 0.0000308100000000 ] - [ -0.0000318300000000, 0.0002250800000000, 0.0001887200000000 ] - [ 0.0000047700000000, -0.0001025000000000, -0.0000632100000000 ] - [ 0.0029857800000000, 0.0006200700000000, -0.0017391100000000 ] - [ -0.0000634000000000, 0.0002980800000000, 0.0000896600000000 ] - [ 0.0012728800000000, 0.0002108700000000, -0.0002202400000000 ] - [ 0.0000361100000000, -0.0001635900000000, -0.0001429800000000 ] - [ 0.0005864700000000, 0.0011411500000000, 0.0002404700000000 ] - [ 0.0000249400000000, -0.0002576000000000, -0.0000034000000000 ] - [ 0.0000421500000000, -0.0000658500000000, 0.0001392600000000 ] - [ 0.0000714700000000, -0.0000695800000000, 0.0000808600000000 ] - [ -0.0000678700000000, 0.0000530700000000, 0.0003929000000000 ] - [ 0.0000215400000000, 0.0000536200000000, 0.0001251700000000 ] - [ -0.0001326400000000, 0.0003982000000000, 0.0001204800000000 ] - [ -0.0000407000000000, -0.0000750000000000, -0.0000734100000000 ]- atom: 14 displacement: [ -0.0099999995909515, 0.0000000000000000, 0.0000028602394792 ] forces: - [ 0.0017859500000000, 0.0000672700000000, 0.0001488000000000 ] - [ -0.0005899600000000, -0.0003167000000000, -0.0001162500000000 ] - [ -0.0038012200000000, 0.0051165800000000, 0.0018780300000000 ] - [ -0.0000206900000000, 0.0001265000000000, -0.0001863200000000 ] - [ -0.0027218800000000, -0.0036486000000000, 0.0003163300000000 ] - [ -0.0003516400000000, 0.0002914800000000, -0.0000280600000000 ] - [ 0.0000581700000000, -0.0001303400000000, 0.0002498700000000 ] - [ 0.0002720500000000, -0.0003015100000000, 0.0001073200000000 ] - [ 0.0000228700000000, 0.0000915200000000, 0.0000763100000000 ] - [ 0.0000666800000000, 0.0001571700000000, 0.0001414000000000 ] - [ 0.0000990000000000, 0.0002792300000000, 0.0000066400000000 ] - [ 0.0000383700000000, -0.0000184900000000, -0.0000006000000000 ] - [ -0.0005807800000000, 0.0000656700000000, 0.0013600700000000 ] - [ 0.0358796600000000, -0.0023661100000000, -0.0012530200000000 ] - [ -0.0000061200000000, 0.0000706200000000, -0.0000536700000000 ] - [ -0.0031145200000000, 0.0009146200000000, 0.0034667900000000 ] - [ 0.0000404100000000, -0.0000935200000000, -0.0000629600000000 ] - [ -0.0000299000000000, -0.0001029400000000, 0.0000120700000000 ] - [ -0.0000068900000000, 0.0000901000000000, 0.0003405500000000 ] - [ -0.0015262900000000, 0.0003686600000000, -0.0024383700000000 ] - [ 0.0000072800000000, 0.0002093200000000, 0.0002218400000000 ] - [ -0.0000525400000000, -0.0000704700000000, 0.0000844500000000 ] - [ -0.0000011000000000, 0.0000163700000000, 0.0000368500000000 ] - [ 0.0000100100000000, 0.0001211800000000, 0.0000725600000000 ] - [ -0.0000115100000000, -0.0000195200000000, 0.0000333200000000 ] - [ -0.0000663100000000, -0.0001488400000000, -0.0000692900000000 ] - [ 0.0000089100000000, -0.0001800000000000, -0.0000155100000000 ] - [ -0.0000243600000000, -0.0002348500000000, 0.0003679400000000 ] - [ 0.0001004700000000, 0.0001016200000000, 0.0001100500000000 ] - [ 0.0000875400000000, -0.0002459600000000, -0.0000261700000000 ] - [ -0.0001154600000000, -0.0000319800000000, 0.0000703800000000 ] - [ 0.0000549500000000, -0.0000404700000000, 0.0001207000000000 ] - [ 0.0024042100000000, 0.0001904600000000, -0.0002804000000000 ] - [ 0.0000765000000000, -0.0002052100000000, -0.0001923800000000 ] - [ -0.0021949600000000, -0.0003714500000000, -0.0030404100000000 ] - [ -0.0000503500000000, 0.0000145600000000, -0.0000979900000000 ] - [ -0.0000208900000000, 0.0000531100000000, -0.0000277600000000 ] - [ -0.0006981800000000, 0.0001612300000000, -0.0001759700000000 ] - [ 0.0000935800000000, 0.0001186600000000, -0.0002338300000000 ] - [ 0.0000887700000000, -0.0000140100000000, -0.0000489600000000 ] - [ -0.0000005700000000, -0.0001783100000000, -0.0002205200000000 ] - [ -0.0012485300000000, 0.0000469400000000, -0.0000768300000000 ] - [ -0.0000009500000000, -0.0001911700000000, 0.0000025000000000 ] - [ -0.0000066000000000, -0.0002814100000000, 0.0000493900000000 ] - [ 0.0007218400000000, 0.0000280200000000, -0.0000362900000000 ] - [ -0.0001041800000000, -0.0001605700000000, 0.0002388800000000 ] - [ -0.0002851900000000, 0.0001608700000000, -0.0000119500000000 ] - [ -0.0000992600000000, -0.0000784700000000, -0.0001071900000000 ] - [ 0.0003174500000000, 0.0000531900000000, 0.0002438400000000 ] - [ 0.0001038800000000, -0.0003966800000000, -0.0001632500000000 ] - [ -0.0003083900000000, -0.0001203100000000, -0.0000876900000000 ] - [ -0.0000624200000000, 0.0000822000000000, 0.0003555400000000 ] - [ -0.0002130200000000, -0.0001025500000000, -0.0001102700000000 ] - [ 0.0003202300000000, 0.0001086400000000, 0.0001784700000000 ] - [ -0.0048358500000000, 0.0038413300000000, -0.0024812200000000 ] - [ -0.0002576100000000, -0.0001579600000000, 0.0000526900000000 ] - [ -0.0006380100000000, -0.0001363400000000, -0.0007919400000000 ] - [ 0.0000349900000000, -0.0001026700000000, -0.0002196600000000 ] - [ 0.0000342000000000, -0.0002243900000000, -0.0001133000000000 ] - [ 0.0000301500000000, -0.0003661400000000, 0.0000895400000000 ] - [ 0.0005986600000000, -0.0000554700000000, 0.0013906100000000 ] - [ 0.0010038200000000, 0.0003489400000000, -0.0010735100000000 ] - [ -0.0041711800000000, -0.0040455800000000, 0.0022408900000000 ] - [ -0.0003762800000000, -0.0000149000000000, 0.0001003600000000 ] - [ -0.0001083100000000, 0.0000373300000000, -0.0000743100000000 ] - [ 0.0000534800000000, 0.0001677200000000, -0.0001326700000000 ] - [ -0.0008115500000000, 0.0013632600000000, 0.0006789000000000 ] - [ 0.0001291900000000, 0.0002377600000000, 0.0000905200000000 ] - [ 0.0000185300000000, -0.0002812900000000, 0.0000429300000000 ] - [ 0.0000164000000000, -0.0000382700000000, -0.0001946700000000 ] - [ -0.0085709700000000, 0.0024363700000000, 0.0011981400000000 ] - [ 0.0064132700000000, 0.0003084100000000, 0.0000373700000000 ] - [ 0.0000032500000000, -0.0002169600000000, 0.0002411300000000 ] - [ 0.0000627700000000, -0.0000798400000000, -0.0001066600000000 ] - [ -0.0030465700000000, 0.0003841300000000, 0.0000460200000000 ] - [ -0.0001085000000000, -0.0002218000000000, -0.0002635600000000 ] - [ -0.0074773900000000, -0.0006743900000000, -0.0025151800000000 ] - [ -0.0000005100000000, -0.0001006400000000, 0.0002076600000000 ] - [ 0.0007636700000000, 0.0000754300000000, -0.0001379000000000 ] - [ -0.0005681600000000, -0.0001837000000000, 0.0001177700000000 ] - [ 0.0002662200000000, 0.0001882200000000, 0.0006717600000000 ] - [ 0.0000725900000000, 0.0004417900000000, -0.0001605500000000 ] - [ 0.0006265400000000, 0.0001671300000000, -0.0001642000000000 ] - [ 0.0001288900000000, -0.0001397900000000, -0.0005526400000000 ] - [ 0.0000972000000000, -0.0001216800000000, -0.0000525700000000 ] - [ 0.0000160800000000, 0.0001167500000000, -0.0002431800000000 ] - [ 0.0000804800000000, -0.0000007100000000, -0.0000740300000000 ] - [ -0.0000799800000000, -0.0002303700000000, -0.0001000600000000 ] - [ -0.0000130100000000, -0.0002654600000000, 0.0003579200000000 ] - [ 0.0008668700000000, 0.0002335800000000, -0.0005449900000000 ] - [ -0.0005935500000000, 0.0002112100000000, -0.0022995300000000 ] - [ -0.0001245100000000, -0.0000286300000000, 0.0000369200000000 ] - [ -0.0000542600000000, 0.0004431600000000, 0.0002717800000000 ] - [ 0.0000575200000000, -0.0002204400000000, -0.0000677300000000 ] - [ -0.0000686800000000, -0.0004363000000000, 0.0005206700000000 ] - [ 0.0009927000000000, -0.0002640000000000, -0.0000238600000000 ] - [ -0.0005834100000000, 0.0001594700000000, 0.0025680000000000 ] - [ 0.0000535400000000, -0.0002052500000000, 0.0000405300000000 ] - [ -0.0000959500000000, 0.0002156000000000, -0.0002537700000000 ] - [ -0.0000011600000000, -0.0000609200000000, -0.0001301300000000 ] - [ -0.0027369800000000, -0.0006500000000000, 0.0015915900000000 ] - [ 0.0000235200000000, 0.0002346500000000, 0.0000109800000000 ] - [ -0.0011198900000000, 0.0002337200000000, -0.0003005300000000 ] - [ 0.0000231600000000, 0.0000738400000000, 0.0003460100000000 ] - [ -0.0005836200000000, -0.0009804200000000, -0.0004294300000000 ] - [ 0.0000160800000000, -0.0002851300000000, -0.0000927100000000 ] - [ -0.0000580500000000, -0.0001400300000000, 0.0000085500000000 ] - [ 0.0001336600000000, 0.0000170700000000, -0.0000070100000000 ] - [ -0.0000161600000000, -0.0002778200000000, -0.0001234300000000 ] - [ -0.0000246300000000, 0.0001068000000000, 0.0000696400000000 ] - [ 0.0001744200000000, 0.0001242600000000, -0.0002964000000000 ] - [ -0.0000112400000000, -0.0000160200000000, -0.0001365300000000 ]- atom: 14 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000322000000000, 0.0050434600000000, 0.0043140600000000 ] - [ -0.0002134900000000, -0.0002009300000000, 0.0004732400000000 ] - [ -0.0046696200000000, 0.0032471800000000, 0.0017132800000000 ] - [ 0.0000220000000000, 0.0001198500000000, -0.0002854700000000 ] - [ 0.0038392600000000, 0.0025795600000000, -0.0008378900000000 ] - [ -0.0002635900000000, 0.0003218000000000, -0.0002198500000000 ] - [ 0.0000142700000000, -0.0001333100000000, 0.0000548800000000 ] - [ 0.0002314500000000, -0.0002856500000000, 0.0000088800000000 ] - [ 0.0000039100000000, 0.0002259200000000, -0.0000911500000000 ] - [ 0.0000327100000000, 0.0000202100000000, 0.0000048800000000 ] - [ 0.0000072100000000, 0.0005694400000000, 0.0000240600000000 ] - [ 0.0000197600000000, -0.0003488400000000, 0.0000713400000000 ] - [ -0.0001187300000000, -0.0007127700000000, -0.0000824600000000 ] - [ 0.0020529500000000, -0.0324646800000000, 0.0059225600000000 ] - [ 0.0000718200000000, -0.0001129800000000, -0.0000868300000000 ] - [ -0.0008595000000000, -0.0012821400000000, 0.0006004300000000 ] - [ 0.0000511400000000, 0.0001273100000000, -0.0000865900000000 ] - [ -0.0000212400000000, -0.0000453700000000, -0.0000622900000000 ] - [ -0.0001688400000000, 0.0007015000000000, -0.0000042000000000 ] - [ -0.0000711600000000, -0.0007920000000000, -0.0001661600000000 ] - [ 0.0000645800000000, 0.0003167100000000, 0.0002701200000000 ] - [ -0.0000742600000000, -0.0001837600000000, 0.0000883800000000 ] - [ 0.0000207800000000, -0.0000934400000000, 0.0000134900000000 ] - [ -0.0001203900000000, 0.0003488800000000, 0.0001411900000000 ] - [ 0.0000095200000000, 0.0003789000000000, 0.0000673700000000 ] - [ -0.0000600400000000, -0.0002047400000000, -0.0001350300000000 ] - [ -0.0000790100000000, -0.0003019200000000, -0.0000752800000000 ] - [ 0.0001826600000000, -0.0002784600000000, 0.0000743800000000 ] - [ 0.0000840800000000, 0.0001743100000000, 0.0000310600000000 ] - [ -0.0000347800000000, -0.0006834900000000, 0.0000143300000000 ] - [ -0.0001689000000000, 0.0001021000000000, 0.0000509600000000 ] - [ 0.0000498400000000, -0.0001206500000000, 0.0000553900000000 ] - [ -0.0002179300000000, 0.0036662700000000, -0.0068966700000000 ] - [ 0.0001155900000000, 0.0004766700000000, 0.0003283500000000 ] - [ 0.0001748800000000, -0.0014443100000000, 0.0002506100000000 ] - [ -0.0000188100000000, -0.0000790100000000, -0.0001782300000000 ] - [ 0.0001159900000000, 0.0002603400000000, -0.0000787000000000 ] - [ -0.0000290900000000, 0.0009516400000000, 0.0000036600000000 ] - [ 0.0001162600000000, 0.0005410900000000, -0.0000490600000000 ] - [ 0.0001295500000000, -0.0002024100000000, -0.0000192900000000 ] - [ -0.0000080900000000, -0.0000856600000000, -0.0002261000000000 ] - [ -0.0000694700000000, -0.0008552200000000, -0.0000253200000000 ] - [ 0.0000171400000000, -0.0001300700000000, 0.0000425800000000 ] - [ 0.0000232700000000, -0.0001714000000000, 0.0000395900000000 ] - [ 0.0000133500000000, 0.0013451500000000, 0.0000317400000000 ] - [ -0.0001197300000000, 0.0006775300000000, 0.0000700700000000 ] - [ 0.0000109700000000, -0.0000434000000000, -0.0002199900000000 ] - [ -0.0000665500000000, 0.0000064400000000, -0.0001910000000000 ] - [ 0.0000120500000000, -0.0002983300000000, 0.0003559100000000 ] - [ -0.0002610400000000, 0.0027066600000000, -0.0024760900000000 ] - [ -0.0002707500000000, -0.0001447700000000, -0.0000500300000000 ] - [ -0.0001100500000000, 0.0000879400000000, 0.0004638700000000 ] - [ 0.0007214200000000, -0.0002824100000000, 0.0000657900000000 ] - [ 0.0000954700000000, 0.0000748000000000, 0.0009178300000000 ] - [ -0.0012874600000000, 0.0035877200000000, -0.0018658200000000 ] - [ 0.0001368500000000, 0.0000660600000000, -0.0010497300000000 ] - [ 0.0003637500000000, 0.0013746200000000, 0.0021355800000000 ] - [ 0.0000791500000000, -0.0001069100000000, -0.0001485000000000 ] - [ 0.0002056800000000, -0.0001294600000000, -0.0004498000000000 ] - [ 0.0001143100000000, -0.0003240700000000, 0.0003615600000000 ] - [ -0.0002019700000000, 0.0005921100000000, -0.0013108700000000 ] - [ 0.0004070000000000, 0.0004464200000000, -0.0013028000000000 ] - [ 0.0011991200000000, 0.0031687300000000, -0.0018237900000000 ] - [ -0.0008463100000000, -0.0003351200000000, 0.0001183700000000 ] - [ -0.0000969400000000, 0.0001259100000000, 0.0000102400000000 ] - [ 0.0002382500000000, -0.0000419900000000, -0.0013474800000000 ] - [ -0.0000143000000000, -0.0019371800000000, -0.0006592400000000 ] - [ 0.0001488900000000, 0.0006472500000000, 0.0002955100000000 ] - [ -0.0000823500000000, -0.0000595100000000, 0.0001967200000000 ] - [ 0.0000745200000000, -0.0005806800000000, 0.0000725700000000 ] - [ -0.0047728800000000, 0.0056847700000000, 0.0004311900000000 ] - [ 0.0000365600000000, -0.0001240100000000, 0.0004270500000000 ] - [ -0.0003674100000000, -0.0002064200000000, 0.0002784700000000 ] - [ -0.0000717000000000, -0.0002616800000000, -0.0004362000000000 ] - [ -0.0002263000000000, 0.0027258300000000, 0.0006751100000000 ] - [ 0.0000863600000000, -0.0002028000000000, -0.0007181200000000 ] - [ 0.0037028500000000, 0.0046776800000000, 0.0010678400000000 ] - [ -0.0000587000000000, -0.0001048800000000, 0.0002791000000000 ] - [ -0.0002380200000000, -0.0005409600000000, 0.0002610500000000 ] - [ -0.0000547900000000, -0.0006936900000000, -0.0009815400000000 ] - [ -0.0007957900000000, 0.0001128700000000, -0.0001829300000000 ] - [ -0.0000536900000000, -0.0007866600000000, 0.0003722000000000 ] - [ -0.0000016600000000, 0.0009315600000000, -0.0000097500000000 ] - [ -0.0004272800000000, -0.0001314700000000, 0.0014773000000000 ] - [ 0.0001251900000000, -0.0001180300000000, -0.0001001400000000 ] - [ 0.0002719500000000, 0.0000656900000000, -0.0001989400000000 ] - [ -0.0000100200000000, -0.0002890800000000, -0.0001592000000000 ] - [ 0.0000608800000000, -0.0002286700000000, 0.0004114100000000 ] - [ 0.0000277000000000, -0.0007102400000000, 0.0004398700000000 ] - [ 0.0004035600000000, -0.0003133300000000, -0.0004866300000000 ] - [ 0.0003113300000000, 0.0000835100000000, 0.0022711500000000 ] - [ -0.0001409200000000, -0.0001222900000000, 0.0001168900000000 ] - [ -0.0003128500000000, -0.0020435500000000, 0.0000580700000000 ] - [ 0.0000789800000000, -0.0004482200000000, -0.0003990400000000 ] - [ 0.0009730700000000, -0.0002126100000000, 0.0003641300000000 ] - [ -0.0001492200000000, 0.0006235200000000, -0.0000164100000000 ] - [ -0.0003704600000000, 0.0001033400000000, 0.0024323000000000 ] - [ 0.0000214900000000, -0.0002477500000000, -0.0001547500000000 ] - [ -0.0001892500000000, 0.0001889000000000, -0.0004172700000000 ] - [ -0.0000150200000000, 0.0000342300000000, -0.0000672600000000 ] - [ 0.0018305600000000, 0.0036624400000000, -0.0039661200000000 ] - [ 0.0000169500000000, 0.0000654500000000, 0.0000569900000000 ] - [ 0.0001075300000000, 0.0002552400000000, -0.0001286600000000 ] - [ 0.0000499400000000, 0.0002468500000000, -0.0000653900000000 ] - [ -0.0003712700000000, -0.0023574700000000, -0.0008263600000000 ] - [ 0.0000407300000000, -0.0003635900000000, 0.0000096000000000 ] - [ 0.0001071900000000, 0.0001506900000000, 0.0002690700000000 ] - [ 0.0001255900000000, 0.0001851700000000, 0.0000527500000000 ] - [ -0.0000823800000000, 0.0002587500000000, 0.0000321500000000 ] - [ -0.0000590100000000, 0.0003908600000000, 0.0000357200000000 ] - [ -0.0001565100000000, 0.0007897700000000, 0.0002787300000000 ] - [ -0.0000681300000000, -0.0003131200000000, -0.0000365700000000 ]- atom: 14 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000456800000000, -0.0047283000000000, -0.0038288400000000 ] - [ -0.0003052000000000, -0.0003857600000000, -0.0005727400000000 ] - [ 0.0052520400000000, -0.0026623900000000, -0.0016302300000000 ] - [ -0.0000437600000000, 0.0001323500000000, -0.0001497700000000 ] - [ -0.0038992800000000, -0.0028525500000000, 0.0003893700000000 ] - [ -0.0002559000000000, 0.0002665600000000, 0.0000972600000000 ] - [ 0.0000066000000000, -0.0001190500000000, 0.0003866000000000 ] - [ 0.0002902300000000, -0.0003070900000000, 0.0001232800000000 ] - [ 0.0000347400000000, -0.0000062900000000, 0.0001118000000000 ] - [ 0.0000846700000000, 0.0002605800000000, 0.0001827000000000 ] - [ -0.0000092100000000, -0.0000092800000000, -0.0000969600000000 ] - [ -0.0000231700000000, 0.0003120900000000, -0.0000962200000000 ] - [ -0.0001412400000000, 0.0007709900000000, 0.0001933400000000 ] - [ -0.0018275200000000, 0.0320153900000000, -0.0058799300000000 ] - [ 0.0000469000000000, 0.0002808800000000, -0.0000786900000000 ] - [ 0.0007303900000000, 0.0014416500000000, -0.0007927900000000 ] - [ 0.0000657200000000, -0.0002726000000000, -0.0000625900000000 ] - [ -0.0000176900000000, -0.0001709700000000, 0.0000433100000000 ] - [ 0.0000516800000000, -0.0005387600000000, 0.0001655900000000 ] - [ 0.0000814700000000, 0.0013523000000000, 0.0002531900000000 ] - [ -0.0000430600000000, 0.0000159100000000, 0.0001964600000000 ] - [ -0.0000434200000000, 0.0000141900000000, 0.0000819200000000 ] - [ -0.0000186900000000, 0.0001274800000000, 0.0000157800000000 ] - [ 0.0000874900000000, 0.0000248700000000, -0.0001327200000000 ] - [ -0.0000113800000000, -0.0003339400000000, -0.0000884600000000 ] - [ -0.0000573900000000, -0.0000800000000000, -0.0000488400000000 ] - [ 0.0000453200000000, -0.0000763400000000, 0.0000917900000000 ] - [ -0.0001578300000000, -0.0000622600000000, 0.0003946100000000 ] - [ 0.0000907500000000, 0.0000216000000000, 0.0001384800000000 ] - [ 0.0000325300000000, 0.0001159100000000, -0.0000882700000000 ] - [ -0.0000861500000000, -0.0001457100000000, 0.0000735200000000 ] - [ 0.0000459900000000, 0.0000382800000000, 0.0001389200000000 ] - [ 0.0001910900000000, -0.0033220900000000, 0.0063549300000000 ] - [ -0.0000092700000000, -0.0007460100000000, -0.0001346300000000 ] - [ -0.0001753100000000, 0.0012095700000000, -0.0002334400000000 ] - [ -0.0000762500000000, 0.0001576600000000, -0.0000084000000000 ] - [ 0.0001415500000000, -0.0002145500000000, -0.0000401400000000 ] - [ -0.0000788400000000, -0.0006605000000000, -0.0002053400000000 ] - [ -0.0001154100000000, -0.0005804600000000, 0.0000783900000000 ] - [ 0.0001291800000000, 0.0001329000000000, -0.0000718000000000 ] - [ -0.0000135000000000, -0.0002475300000000, -0.0002370100000000 ] - [ 0.0000528800000000, 0.0010727600000000, -0.0000159600000000 ] - [ 0.0000169700000000, -0.0002417200000000, -0.0000418800000000 ] - [ -0.0000228900000000, -0.0003874700000000, 0.0000379000000000 ] - [ 0.0000688200000000, -0.0012745200000000, 0.0001544600000000 ] - [ 0.0000397200000000, -0.0007297100000000, -0.0002663000000000 ] - [ 0.0000238200000000, 0.0004174600000000, 0.0002087700000000 ] - [ -0.0001080700000000, -0.0002015000000000, 0.0000242700000000 ] - [ 0.0004194900000000, 0.0000293700000000, -0.0000908700000000 ] - [ 0.0007952500000000, -0.0029197300000000, 0.0028534100000000 ] - [ -0.0002820200000000, -0.0000870700000000, -0.0002729000000000 ] - [ -0.0000173300000000, 0.0001136600000000, 0.0000122500000000 ] - [ -0.0005201400000000, 0.0007287300000000, -0.0003397000000000 ] - [ 0.0004610800000000, 0.0001667500000000, -0.0005820700000000 ] - [ 0.0007455900000000, -0.0033568000000000, 0.0015290400000000 ] - [ -0.0005775900000000, -0.0002972000000000, 0.0007779000000000 ] - [ -0.0008196000000000, -0.0010949100000000, -0.0024218700000000 ] - [ 0.0000487200000000, -0.0000920900000000, -0.0003127500000000 ] - [ -0.0000224800000000, -0.0002975800000000, 0.0001867700000000 ] - [ -0.0002823500000000, -0.0001275900000000, -0.0000973600000000 ] - [ 0.0000169500000000, -0.0001755200000000, 0.0015728700000000 ] - [ 0.0000272800000000, -0.0002173700000000, 0.0015682400000000 ] - [ -0.0010613400000000, -0.0029690200000000, 0.0013373600000000 ] - [ 0.0007200100000000, 0.0001243900000000, 0.0003963200000000 ] - [ -0.0001073600000000, -0.0000735800000000, -0.0000868000000000 ] - [ -0.0003597700000000, 0.0002446200000000, 0.0011381600000000 ] - [ -0.0002047400000000, 0.0019515000000000, 0.0005981100000000 ] - [ -0.0001482600000000, -0.0004316100000000, -0.0004517300000000 ] - [ 0.0000392300000000, -0.0004615100000000, -0.0000243800000000 ] - [ 0.0000109700000000, 0.0003411400000000, -0.0003436000000000 ] - [ 0.0042697700000000, -0.0054956200000000, -0.0003089600000000 ] - [ -0.0001366200000000, 0.0003175600000000, 0.0000622700000000 ] - [ 0.0002141100000000, -0.0002359800000000, 0.0002403400000000 ] - [ 0.0000177100000000, 0.0000402900000000, 0.0002360300000000 ] - [ 0.0003375100000000, -0.0024755500000000, -0.0009491900000000 ] - [ 0.0000640200000000, -0.0002354800000000, 0.0001964400000000 ] - [ -0.0034753000000000, -0.0040834800000000, -0.0011380100000000 ] - [ -0.0000460000000000, -0.0000919300000000, 0.0001745200000000 ] - [ 0.0004218600000000, 0.0005848400000000, -0.0002170100000000 ] - [ 0.0001187500000000, 0.0008664800000000, 0.0012169100000000 ] - [ 0.0006375200000000, 0.0003225300000000, 0.0007024200000000 ] - [ 0.0001177400000000, 0.0008935800000000, -0.0001619500000000 ] - [ -0.0000947500000000, -0.0008087100000000, -0.0001684000000000 ] - [ 0.0002949300000000, -0.0000761400000000, -0.0016456600000000 ] - [ 0.0000113100000000, -0.0000887600000000, 0.0002800400000000 ] - [ -0.0001660800000000, 0.0001296500000000, -0.0002519900000000 ] - [ 0.0002358400000000, 0.0003099900000000, 0.0000199700000000 ] - [ -0.0001911500000000, -0.0002109700000000, -0.0004716200000000 ] - [ -0.0001120400000000, 0.0009405100000000, -0.0001678600000000 ] - [ -0.0005007800000000, 0.0008078800000000, 0.0007157300000000 ] - [ -0.0001913100000000, 0.0003490600000000, -0.0022190900000000 ] - [ -0.0000914000000000, 0.0000876800000000, 0.0000172800000000 ] - [ 0.0003143500000000, 0.0018599400000000, 0.0001125600000000 ] - [ 0.0000153100000000, -0.0000871400000000, 0.0001767200000000 ] - [ -0.0008514200000000, 0.0000111300000000, -0.0008597800000000 ] - [ 0.0000975000000000, -0.0011283300000000, 0.0000963900000000 ] - [ 0.0005065700000000, 0.0001014200000000, -0.0022526600000000 ] - [ 0.0001019100000000, -0.0001919600000000, 0.0002044400000000 ] - [ 0.0000530000000000, 0.0002460700000000, 0.0003363900000000 ] - [ 0.0000177600000000, -0.0001953600000000, -0.0001331500000000 ] - [ -0.0016093000000000, -0.0037208000000000, 0.0039488300000000 ] - [ -0.0000546800000000, 0.0004577500000000, 0.0000399300000000 ] - [ 0.0000473700000000, 0.0001880800000000, -0.0003864600000000 ] - [ 0.0000247900000000, -0.0003321500000000, 0.0002624300000000 ] - [ 0.0003837400000000, 0.0025241700000000, 0.0006303400000000 ] - [ 0.0000008400000000, -0.0001712400000000, -0.0001098700000000 ] - [ -0.0001051600000000, -0.0003554600000000, -0.0001119300000000 ] - [ 0.0000824400000000, -0.0002265500000000, 0.0000192300000000 ] - [ -0.0000157800000000, -0.0004742200000000, 0.0002393700000000 ] - [ 0.0000522900000000, -0.0002193000000000, 0.0001616200000000 ] - [ 0.0001996000000000, -0.0002670900000000, -0.0004486000000000 ] - [ 0.0000057800000000, 0.0002110200000000, -0.0001691300000000 ]- atom: 14 displacement: [ -0.0000185648863736, 0.0000000000000000, 0.0099999827672348 ] forces: - [ 0.0000282400000000, 0.0037613900000000, 0.0008095800000000 ] - [ -0.0002539100000000, -0.0002620600000000, -0.0004100800000000 ] - [ -0.0013214200000000, 0.0013369700000000, -0.0020477400000000 ] - [ -0.0000116800000000, 0.0000801700000000, 0.0003266800000000 ] - [ -0.0004553200000000, -0.0005832100000000, -0.0023115500000000 ] - [ -0.0002352500000000, 0.0002691200000000, 0.0003163700000000 ] - [ -0.0000195600000000, -0.0001722000000000, 0.0006121300000000 ] - [ 0.0003084400000000, -0.0003483700000000, 0.0005980700000000 ] - [ -0.0000040000000000, 0.0002280900000000, 0.0002986100000000 ] - [ 0.0000303400000000, 0.0000239000000000, 0.0003815400000000 ] - [ -0.0000284100000000, 0.0004945400000000, 0.0001885200000000 ] - [ 0.0000348000000000, -0.0002880300000000, 0.0005023900000000 ] - [ -0.0012836700000000, -0.0002064400000000, 0.0009663900000000 ] - [ 0.0014987600000000, 0.0060103300000000, -0.0356759400000000 ] - [ 0.0000754200000000, 0.0000263100000000, 0.0000601600000000 ] - [ -0.0036362000000000, 0.0007964700000000, 0.0015290800000000 ] - [ 0.0000768700000000, -0.0001545900000000, -0.0000426400000000 ] - [ 0.0000024700000000, -0.0000709300000000, 0.0003188700000000 ] - [ -0.0002763500000000, 0.0003503200000000, -0.0001130100000000 ] - [ 0.0022852600000000, -0.0001111000000000, 0.0014428300000000 ] - [ 0.0001473700000000, 0.0002243000000000, 0.0004939600000000 ] - [ -0.0000171800000000, -0.0000232400000000, 0.0002790300000000 ] - [ -0.0000444000000000, 0.0000881400000000, 0.0002231600000000 ] - [ -0.0002321400000000, 0.0003451500000000, 0.0001993800000000 ] - [ -0.0000814100000000, -0.0001687400000000, 0.0002373900000000 ] - [ -0.0000361000000000, -0.0001791400000000, 0.0002246100000000 ] - [ 0.0001285100000000, -0.0001239600000000, 0.0002330600000000 ] - [ -0.0003217400000000, -0.0001764000000000, 0.0005478800000000 ] - [ 0.0000561900000000, 0.0001474800000000, 0.0005261100000000 ] - [ 0.0000043600000000, -0.0000647900000000, 0.0006642200000000 ] - [ -0.0000431900000000, -0.0000955900000000, 0.0002419400000000 ] - [ 0.0000200900000000, -0.0000577600000000, 0.0005082300000000 ] - [ 0.0002175400000000, -0.0062148400000000, 0.0043274800000000 ] - [ 0.0003463500000000, -0.0003891200000000, -0.0002412300000000 ] - [ 0.0033171600000000, 0.0003701100000000, 0.0018260300000000 ] - [ -0.0000143000000000, -0.0000490100000000, 0.0002219600000000 ] - [ 0.0001563700000000, 0.0000986400000000, 0.0000356000000000 ] - [ -0.0001352000000000, 0.0001429400000000, -0.0005626700000000 ] - [ 0.0002127900000000, 0.0002409500000000, -0.0002746300000000 ] - [ 0.0001307000000000, 0.0000298800000000, 0.0000028500000000 ] - [ -0.0000207400000000, -0.0002506400000000, -0.0000291900000000 ] - [ -0.0000703900000000, 0.0001410200000000, -0.0005868600000000 ] - [ 0.0000233000000000, -0.0002062800000000, 0.0001292800000000 ] - [ -0.0000539900000000, -0.0003573800000000, 0.0002047400000000 ] - [ 0.0001684200000000, 0.0001702700000000, -0.0009653200000000 ] - [ -0.0003578900000000, -0.0002231300000000, -0.0003728100000000 ] - [ 0.0000190600000000, 0.0000853800000000, -0.0000920300000000 ] - [ -0.0000596700000000, 0.0000157000000000, 0.0002232900000000 ] - [ 0.0001178400000000, 0.0002839400000000, 0.0008851300000000 ] - [ 0.0031190100000000, -0.0046533300000000, 0.0033219400000000 ] - [ -0.0003289900000000, -0.0001805700000000, 0.0005958200000000 ] - [ -0.0002157000000000, 0.0000594200000000, 0.0010645100000000 ] - [ 0.0017546000000000, 0.0003437000000000, 0.0002746300000000 ] - [ -0.0000110100000000, 0.0001028000000000, 0.0021084400000000 ] - [ 0.0003537900000000, -0.0004794000000000, -0.0000452200000000 ] - [ -0.0007952800000000, -0.0003871200000000, 0.0015629200000000 ] - [ 0.0015307900000000, 0.0056222400000000, 0.0030131100000000 ] - [ 0.0001169800000000, -0.0001276400000000, 0.0005538100000000 ] - [ -0.0001272200000000, -0.0003225700000000, 0.0003880700000000 ] - [ -0.0000556400000000, 0.0001600100000000, 0.0008698200000000 ] - [ -0.0002830100000000, 0.0001509400000000, -0.0000301700000000 ] - [ 0.0004352500000000, 0.0000522600000000, -0.0000443400000000 ] - [ -0.0000796600000000, -0.0000691500000000, -0.0003093100000000 ] - [ 0.0018327100000000, -0.0003093200000000, 0.0001600200000000 ] - [ -0.0000214500000000, 0.0003112400000000, -0.0005163600000000 ] - [ 0.0007615400000000, -0.0000328800000000, -0.0036062300000000 ] - [ -0.0002828600000000, -0.0000285600000000, 0.0005562700000000 ] - [ -0.0000974900000000, 0.0003125900000000, -0.0002908300000000 ] - [ 0.0000835000000000, -0.0005139800000000, -0.0003529500000000 ] - [ -0.0000259300000000, 0.0005458400000000, -0.0007046700000000 ] - [ -0.0000262300000000, -0.0001812500000000, 0.0033501800000000 ] - [ -0.0004609400000000, 0.0001980900000000, 0.0003728000000000 ] - [ 0.0004754300000000, -0.0002223000000000, 0.0000580900000000 ] - [ 0.0001660600000000, 0.0000521800000000, -0.0001524200000000 ] - [ -0.0006229900000000, -0.0028590300000000, 0.0040173300000000 ] - [ 0.0000606500000000, -0.0002114400000000, -0.0004306700000000 ] - [ 0.0003373100000000, 0.0001836200000000, 0.0030554500000000 ] - [ -0.0000080900000000, -0.0000948200000000, 0.0000210100000000 ] - [ -0.0001467500000000, 0.0007343100000000, 0.0008064100000000 ] - [ 0.0010821300000000, -0.0018752700000000, 0.0014540500000000 ] - [ -0.0034260100000000, -0.0000365300000000, 0.0004225800000000 ] - [ 0.0001175300000000, -0.0001039100000000, -0.0000712400000000 ] - [ -0.0000822100000000, 0.0004367100000000, 0.0001681600000000 ] - [ 0.0007967200000000, -0.0002187900000000, -0.0031758100000000 ] - [ 0.0003674900000000, -0.0001264100000000, -0.0011538400000000 ] - [ 0.0005830300000000, 0.0000610900000000, -0.0005001600000000 ] - [ -0.0001970000000000, -0.0006158800000000, -0.0008650000000000 ] - [ -0.0002528500000000, -0.0001726900000000, -0.0007603200000000 ] - [ -0.0001280600000000, -0.0000656300000000, -0.0000145700000000 ] - [ -0.0001774000000000, -0.0002283000000000, 0.0006578100000000 ] - [ 0.0006976600000000, 0.0004388700000000, 0.0009830800000000 ] - [ -0.0002103100000000, -0.0002577100000000, -0.0004474400000000 ] - [ 0.0006558800000000, 0.0017845400000000, 0.0013447300000000 ] - [ -0.0000983200000000, -0.0000569500000000, -0.0001860300000000 ] - [ -0.0035405100000000, 0.0000037100000000, 0.0000595400000000 ] - [ -0.0000825000000000, -0.0008068200000000, 0.0007673400000000 ] - [ -0.0002632700000000, 0.0001718400000000, 0.0008515800000000 ] - [ -0.0002485000000000, -0.0002729500000000, -0.0012089200000000 ] - [ -0.0004075100000000, 0.0002127100000000, -0.0012186600000000 ] - [ -0.0000666600000000, 0.0002184000000000, -0.0005533500000000 ] - [ -0.0033841700000000, -0.0018145200000000, 0.0108941000000000 ] - [ 0.0000854500000000, -0.0001184300000000, -0.0005000700000000 ] - [ 0.0000991000000000, 0.0004361100000000, -0.0005764200000000 ] - [ -0.0001326500000000, -0.0006346500000000, -0.0003276500000000 ] - [ 0.0001459400000000, 0.0004899700000000, 0.0006192800000000 ] - [ 0.0001231900000000, -0.0005336600000000, -0.0005683000000000 ] - [ -0.0002277100000000, -0.0004944100000000, -0.0005688700000000 ] - [ 0.0002120400000000, 0.0003641600000000, -0.0004338200000000 ] - [ 0.0001759000000000, -0.0007550300000000, -0.0003672500000000 ] - [ -0.0001709000000000, 0.0006815600000000, -0.0005296900000000 ] - [ 0.0000968300000000, 0.0004753000000000, -0.0002954900000000 ] - [ 0.0000267500000000, 0.0002730800000000, -0.0004276700000000 ]- atom: 14 displacement: [ 0.0000185648863736, 0.0000000000000000, -0.0099999827672348 ] forces: - [ -0.0000054500000000, -0.0034857200000000, -0.0003868100000000 ] - [ -0.0002666000000000, -0.0003257300000000, 0.0002793200000000 ] - [ 0.0018319600000000, -0.0007294800000000, 0.0021944400000000 ] - [ -0.0000100300000000, 0.0001727300000000, -0.0007616100000000 ] - [ 0.0004470900000000, 0.0003438500000000, 0.0018716100000000 ] - [ -0.0002846000000000, 0.0003189900000000, -0.0004387400000000 ] - [ 0.0000411700000000, -0.0000809500000000, -0.0001766300000000 ] - [ 0.0002123200000000, -0.0002399400000000, -0.0004740400000000 ] - [ 0.0000395600000000, -0.0000035900000000, -0.0002780300000000 ] - [ 0.0000874700000000, 0.0002561800000000, -0.0001934300000000 ] - [ 0.0000256400000000, 0.0000689700000000, -0.0002631300000000 ] - [ -0.0000354500000000, 0.0002506900000000, -0.0005262300000000 ] - [ 0.0010364000000000, 0.0002525200000000, -0.0008569800000000 ] - [ -0.0011691500000000, -0.0057792800000000, 0.0357728100000000 ] - [ 0.0000434800000000, 0.0001401700000000, -0.0002233900000000 ] - [ 0.0034256600000000, -0.0006051500000000, -0.0016917600000000 ] - [ 0.0000405100000000, -0.0000135600000000, -0.0001226600000000 ] - [ -0.0000381500000000, -0.0001525500000000, -0.0003394900000000 ] - [ 0.0001587700000000, -0.0001811800000000, 0.0002817700000000 ] - [ -0.0023099300000000, 0.0006741200000000, -0.0013818500000000 ] - [ -0.0001250800000000, 0.0001125800000000, -0.0000245900000000 ] - [ -0.0001021500000000, -0.0001432600000000, -0.0001156000000000 ] - [ 0.0000463900000000, -0.0000517500000000, -0.0001986300000000 ] - [ 0.0001988700000000, 0.0000318800000000, -0.0001874600000000 ] - [ 0.0000798400000000, 0.0002031900000000, -0.0002616900000000 ] - [ -0.0000803100000000, -0.0001018600000000, -0.0004145000000000 ] - [ -0.0001616700000000, -0.0002524200000000, -0.0002237300000000 ] - [ 0.0003438300000000, -0.0001606800000000, -0.0000788200000000 ] - [ 0.0001159900000000, 0.0000448300000000, -0.0003576200000000 ] - [ -0.0000075600000000, -0.0004987900000000, -0.0007309500000000 ] - [ -0.0002148400000000, 0.0000419000000000, -0.0001267400000000 ] - [ 0.0000750500000000, -0.0000212000000000, -0.0003200700000000 ] - [ -0.0002408000000000, 0.0066295200000000, -0.0048250000000000 ] - [ -0.0002287000000000, 0.0001074100000000, 0.0004299000000000 ] - [ -0.0032408000000000, -0.0005911100000000, -0.0017976800000000 ] - [ -0.0000806400000000, 0.0001279600000000, -0.0004099400000000 ] - [ 0.0001016900000000, -0.0000459100000000, -0.0001493800000000 ] - [ 0.0000129200000000, 0.0001432500000000, 0.0003695700000000 ] - [ -0.0002116800000000, -0.0002773100000000, 0.0003008100000000 ] - [ 0.0001274300000000, -0.0000791400000000, -0.0001217400000000 ] - [ -0.0000011100000000, -0.0000864500000000, -0.0004403600000000 ] - [ 0.0000300500000000, 0.0000764500000000, 0.0005699400000000 ] - [ 0.0000103300000000, -0.0001704300000000, -0.0001400100000000 ] - [ 0.0000563000000000, -0.0002059900000000, -0.0001302600000000 ] - [ -0.0000693500000000, -0.0000890200000000, 0.0011506500000000 ] - [ 0.0002590700000000, 0.0001458900000000, 0.0001848600000000 ] - [ 0.0000149100000000, 0.0002909500000000, 0.0000845400000000 ] - [ -0.0001121700000000, -0.0002063600000000, -0.0003916200000000 ] - [ 0.0003196400000000, -0.0005134700000000, -0.0006217200000000 ] - [ -0.0025616300000000, 0.0044046500000000, -0.0029652200000000 ] - [ -0.0002333900000000, -0.0000475700000000, -0.0009356000000000 ] - [ 0.0000814700000000, 0.0001357500000000, -0.0005870300000000 ] - [ -0.0015754900000000, 0.0000688200000000, -0.0005386100000000 ] - [ 0.0005747800000000, 0.0001252500000000, -0.0017672300000000 ] - [ -0.0009149600000000, 0.0006939500000000, -0.0002866300000000 ] - [ 0.0003561800000000, 0.0001535500000000, -0.0018273400000000 ] - [ -0.0019936000000000, -0.0053986900000000, -0.0033085900000000 ] - [ 0.0000163700000000, -0.0000677200000000, -0.0010298400000000 ] - [ 0.0003075200000000, -0.0000937400000000, -0.0006526600000000 ] - [ -0.0001249800000000, -0.0005718300000000, -0.0006076400000000 ] - [ 0.0001048900000000, 0.0002655800000000, 0.0002949100000000 ] - [ -0.0000001800000000, 0.0001819800000000, 0.0003109800000000 ] - [ 0.0002112500000000, 0.0002512700000000, -0.0001487900000000 ] - [ -0.0019667100000000, 0.0001161600000000, 0.0003106500000000 ] - [ -0.0001851800000000, -0.0002605200000000, 0.0004403200000000 ] - [ -0.0008948100000000, 0.0002375700000000, 0.0034180800000000 ] - [ 0.0000712900000000, -0.0000140400000000, -0.0006267000000000 ] - [ 0.0000910400000000, -0.0000978800000000, 0.0001308800000000 ] - [ -0.0001284600000000, -0.0000158900000000, 0.0005263600000000 ] - [ 0.0001131300000000, -0.0007702200000000, 0.0004294600000000 ] - [ -0.0001616400000000, 0.0001794400000000, -0.0032042400000000 ] - [ 0.0003540600000000, 0.0000001000000000, 0.0000829900000000 ] - [ -0.0006267800000000, -0.0002225700000000, 0.0004590600000000 ] - [ -0.0001607800000000, -0.0002686900000000, 0.0000011700000000 ] - [ 0.0007216400000000, 0.0029609200000000, -0.0048297800000000 ] - [ 0.0000923000000000, -0.0002340500000000, -0.0000874300000000 ] - [ -0.0003292300000000, 0.0003346200000000, -0.0031618900000000 ] - [ -0.0001011300000000, -0.0001025900000000, 0.0004396700000000 ] - [ 0.0003529000000000, -0.0006835500000000, -0.0007301600000000 ] - [ -0.0010833400000000, 0.0020885800000000, -0.0013055700000000 ] - [ 0.0032858500000000, 0.0004860500000000, 0.0000957200000000 ] - [ -0.0000526100000000, 0.0001966500000000, 0.0002773400000000 ] - [ 0.0000221300000000, -0.0003407800000000, -0.0003796400000000 ] - [ -0.0009244800000000, 0.0000048100000000, 0.0029906900000000 ] - [ -0.0002351300000000, -0.0000842900000000, 0.0013397700000000 ] - [ -0.0004735200000000, 0.0001366800000000, 0.0000407300000000 ] - [ 0.0004273800000000, 0.0006483600000000, 0.0007281700000000 ] - [ 0.0001261600000000, -0.0002708000000000, 0.0006988400000000 ] - [ 0.0000412500000000, 0.0002885600000000, 0.0002893000000000 ] - [ 0.0001475300000000, 0.0007548400000000, -0.0005003700000000 ] - [ -0.0005788500000000, -0.0000000600000000, -0.0009324200000000 ] - [ -0.0000194700000000, 0.0002246200000000, 0.0005838100000000 ] - [ -0.0006663800000000, -0.0019471900000000, -0.0011427400000000 ] - [ 0.0001351200000000, -0.0004744200000000, 0.0000204200000000 ] - [ 0.0036502500000000, -0.0001926800000000, -0.0005107000000000 ] - [ 0.0000419000000000, 0.0002709400000000, -0.0006613900000000 ] - [ 0.0004015900000000, 0.0000368100000000, -0.0006766300000000 ] - [ 0.0003772600000000, -0.0001711900000000, 0.0012723100000000 ] - [ 0.0002781500000000, 0.0002305900000000, 0.0011518500000000 ] - [ 0.0000741200000000, -0.0003849800000000, 0.0003543800000000 ] - [ 0.0034543600000000, 0.0014436300000000, -0.0103856700000000 ] - [ -0.0001277100000000, 0.0006492700000000, 0.0005991700000000 ] - [ 0.0000536200000000, 0.0000074400000000, 0.0000607600000000 ] - [ 0.0001928500000000, 0.0005386600000000, 0.0005339400000000 ] - [ -0.0001342900000000, -0.0003148900000000, -0.0008123100000000 ] - [ -0.0000808600000000, 0.0000008600000000, 0.0004683600000000 ] - [ 0.0002328500000000, 0.0002812100000000, 0.0007276100000000 ] - [ -0.0000051100000000, -0.0004134200000000, 0.0005084300000000 ] - [ -0.0002580800000000, 0.0005282100000000, 0.0006406500000000 ] - [ 0.0001630000000000, -0.0005120100000000, 0.0007270600000000 ] - [ -0.0000500300000000, 0.0000547100000000, 0.0001202400000000 ] - [ -0.0000915000000000, -0.0003665400000000, 0.0002214100000000 ]- atom: 15 displacement: [ 0.0099999995909515, 0.0000000000000000, -0.0000028602394792 ] forces: - [ 0.0001028000000000, 0.0001323000000000, 0.0002188900000000 ] - [ -0.0003106700000000, -0.0002805400000000, -0.0000066100000000 ] - [ 0.0002634600000000, 0.0003521000000000, 0.0000476000000000 ] - [ -0.0000049000000000, -0.0000270700000000, -0.0003306800000000 ] - [ -0.0000292900000000, -0.0000901800000000, -0.0001765000000000 ] - [ -0.0020514300000000, -0.0001033900000000, 0.0001951500000000 ] - [ 0.0003350000000000, -0.0001059100000000, 0.0001928200000000 ] - [ 0.0002626200000000, -0.0003110000000000, 0.0001029300000000 ] - [ 0.0000533100000000, 0.0000836800000000, 0.0001570300000000 ] - [ 0.0028982300000000, 0.0000602700000000, 0.0036748000000000 ] - [ 0.0003517600000000, 0.0002786100000000, -0.0000671600000000 ] - [ 0.0013627600000000, 0.0000866300000000, 0.0000114200000000 ] - [ 0.0017664000000000, 0.0000322600000000, -0.0024838500000000 ] - [ 0.0001510100000000, -0.0000843100000000, 0.0001010300000000 ] - [ -0.0281098600000000, -0.0051437700000000, -0.0005201300000000 ] - [ -0.0000578000000000, 0.0000450400000000, -0.0000506700000000 ] - [ 0.0000500300000000, -0.0000592100000000, -0.0000550800000000 ] - [ -0.0000179600000000, -0.0000981500000000, 0.0000574500000000 ] - [ -0.0001086000000000, -0.0001195200000000, -0.0000646300000000 ] - [ 0.0007047500000000, 0.0001622000000000, 0.0017469900000000 ] - [ 0.0002793300000000, -0.0006159700000000, 0.0001106800000000 ] - [ -0.0000559700000000, -0.0000765900000000, 0.0001044000000000 ] - [ -0.0000001000000000, 0.0000024600000000, 0.0000165500000000 ] - [ 0.0001401400000000, 0.0006509000000000, -0.0001888200000000 ] - [ 0.0000037600000000, 0.0000255700000000, -0.0000034400000000 ] - [ -0.0001248800000000, -0.0001322700000000, -0.0000838500000000 ] - [ -0.0000167200000000, -0.0001868800000000, 0.0000164400000000 ] - [ 0.0000112400000000, -0.0001686200000000, 0.0002445400000000 ] - [ 0.0001056300000000, 0.0001058900000000, 0.0001036300000000 ] - [ 0.0000018700000000, -0.0002859600000000, -0.0000309000000000 ] - [ -0.0001256600000000, -0.0000279300000000, 0.0000783800000000 ] - [ 0.0000980200000000, -0.0000439100000000, 0.0000907000000000 ] - [ 0.0002758600000000, 0.0001762900000000, -0.0002343400000000 ] - [ 0.0000399300000000, -0.0001488700000000, 0.0000596600000000 ] - [ -0.0000176600000000, -0.0001208800000000, -0.0000076200000000 ] - [ 0.0026951700000000, 0.0006386300000000, -0.0042605000000000 ] - [ -0.0002488100000000, 0.0000137200000000, -0.0001315800000000 ] - [ -0.0001448400000000, 0.0001398000000000, -0.0000622300000000 ] - [ 0.0000188700000000, 0.0001048100000000, 0.0001343000000000 ] - [ 0.0001240000000000, -0.0000544900000000, -0.0000206700000000 ] - [ 0.0000062500000000, -0.0001636600000000, -0.0002222300000000 ] - [ -0.0000631000000000, 0.0000831500000000, -0.0000497100000000 ] - [ 0.0000050600000000, -0.0001819100000000, 0.0000160500000000 ] - [ -0.0000023200000000, -0.0002690700000000, 0.0000505600000000 ] - [ 0.0001577200000000, 0.0000275700000000, 0.0001191200000000 ] - [ -0.0000302600000000, 0.0000052800000000, -0.0000426700000000 ] - [ -0.0023581900000000, -0.0001869100000000, -0.0004452300000000 ] - [ -0.0001438800000000, 0.0000112600000000, -0.0003002700000000 ] - [ 0.0002367800000000, -0.0001534000000000, 0.0001216600000000 ] - [ 0.0002535000000000, -0.0001210600000000, 0.0002001800000000 ] - [ -0.0004021400000000, 0.0000798100000000, -0.0002078700000000 ] - [ -0.0022621300000000, 0.0039169700000000, 0.0028389000000000 ] - [ -0.0018455300000000, -0.0013672000000000, 0.0015192500000000 ] - [ 0.0012493400000000, -0.0000755700000000, 0.0000886100000000 ] - [ -0.0009044600000000, 0.0002593000000000, 0.0010365300000000 ] - [ -0.0002291800000000, -0.0001222000000000, -0.0000857800000000 ] - [ 0.0004029900000000, 0.0000638900000000, -0.0002081900000000 ] - [ -0.0000568100000000, -0.0002386300000000, -0.0001018800000000 ] - [ 0.0000911600000000, -0.0002307200000000, -0.0000882700000000 ] - [ -0.0000475300000000, -0.0002393200000000, 0.0001985100000000 ] - [ 0.0043619900000000, -0.0034927100000000, -0.0022076300000000 ] - [ 0.0045165200000000, 0.0041402300000000, 0.0026333300000000 ] - [ -0.0006513300000000, -0.0001021800000000, -0.0014456600000000 ] - [ -0.0000536500000000, -0.0001051000000000, 0.0002851400000000 ] - [ -0.0001446400000000, 0.0001942700000000, -0.0003172600000000 ] - [ -0.0005264300000000, 0.0001013300000000, 0.0001998000000000 ] - [ -0.0001498600000000, 0.0003510700000000, 0.0002204300000000 ] - [ 0.0095502100000000, 0.0034902900000000, -0.0027263600000000 ] - [ -0.0000057400000000, -0.0002708800000000, 0.0000757900000000 ] - [ 0.0000343800000000, -0.0001018300000000, -0.0001532900000000 ] - [ -0.0002403900000000, 0.0001545000000000, -0.0001075700000000 ] - [ 0.0010715100000000, 0.0001530700000000, 0.0002522900000000 ] - [ -0.0000736800000000, -0.0002178400000000, 0.0002475000000000 ] - [ -0.0000848300000000, -0.0001145700000000, -0.0001639000000000 ] - [ -0.0003754800000000, 0.0000895900000000, -0.0001497700000000 ] - [ 0.0000209500000000, -0.0002190000000000, -0.0002674300000000 ] - [ -0.0000942100000000, 0.0001296200000000, 0.0001229200000000 ] - [ 0.0001513200000000, -0.0001138800000000, 0.0001956400000000 ] - [ 0.0001389000000000, 0.0000047200000000, 0.0000028200000000 ] - [ -0.0002347600000000, 0.0002344600000000, 0.0000817300000000 ] - [ -0.0000294600000000, 0.0005764700000000, -0.0002738300000000 ] - [ 0.0005948600000000, 0.0017455600000000, -0.0003546600000000 ] - [ 0.0026753800000000, -0.0002132400000000, 0.0002430400000000 ] - [ -0.0000502600000000, -0.0000993300000000, -0.0001519600000000 ] - [ 0.0000739900000000, -0.0001150800000000, 0.0001155900000000 ] - [ -0.0003761600000000, -0.0005288800000000, -0.0008857100000000 ] - [ -0.0001248900000000, -0.0001075800000000, 0.0000201000000000 ] - [ -0.0000850000000000, -0.0002169100000000, -0.0000954900000000 ] - [ 0.0005541700000000, -0.0017447200000000, 0.0007489700000000 ] - [ 0.0000309900000000, 0.0004638400000000, 0.0000744100000000 ] - [ 0.0006524600000000, 0.0000247500000000, 0.0024077900000000 ] - [ -0.0001530600000000, -0.0000812900000000, 0.0000587200000000 ] - [ -0.0000333100000000, -0.0000895000000000, 0.0000766700000000 ] - [ 0.0001151600000000, -0.0002667100000000, -0.0001778600000000 ] - [ 0.0000562500000000, -0.0000994900000000, -0.0002432400000000 ] - [ 0.0000091200000000, -0.0002217800000000, 0.0000319300000000 ] - [ 0.0006715500000000, 0.0001870500000000, -0.0021029200000000 ] - [ 0.0000305000000000, -0.0002115200000000, -0.0001160200000000 ] - [ 0.0025494000000000, 0.0002171800000000, -0.0002252500000000 ] - [ -0.0000046200000000, -0.0002307800000000, 0.0001885000000000 ] - [ 0.0000888000000000, -0.0000061100000000, -0.0001000200000000 ] - [ 0.0000346400000000, 0.0000579100000000, 0.0000587200000000 ] - [ -0.0061665000000000, 0.0002659400000000, -0.0004126300000000 ] - [ 0.0000572300000000, -0.0000530800000000, 0.0000698400000000 ] - [ -0.0000531800000000, -0.0002422700000000, -0.0003599000000000 ] - [ -0.0000335700000000, -0.0002926100000000, -0.0000970400000000 ] - [ -0.0000164900000000, -0.0001155100000000, 0.0000606600000000 ] - [ 0.0033151900000000, 0.0000179500000000, 0.0001041900000000 ] - [ -0.0000642800000000, -0.0001038500000000, 0.0001141400000000 ] - [ -0.0008141100000000, 0.0003852500000000, 0.0001583800000000 ] - [ 0.0045767800000000, 0.0009136600000000, 0.0012901700000000 ] - [ -0.0000204800000000, -0.0000238100000000, -0.0001272400000000 ]- atom: 15 displacement: [ -0.0099999995909515, 0.0000000000000000, 0.0000028602394792 ] forces: - [ -0.0000807600000000, 0.0001233500000000, 0.0002054000000000 ] - [ -0.0002108900000000, -0.0002964700000000, -0.0000743800000000 ] - [ 0.0002579100000000, 0.0002348800000000, 0.0000718100000000 ] - [ -0.0000194800000000, 0.0002797800000000, -0.0001046500000000 ] - [ 0.0000087400000000, -0.0001631000000000, -0.0002580900000000 ] - [ 0.0015347300000000, 0.0006707700000000, -0.0003065000000000 ] - [ -0.0003138600000000, -0.0001441200000000, 0.0002450600000000 ] - [ 0.0002599200000000, -0.0002787100000000, 0.0000250000000000 ] - [ -0.0000137100000000, 0.0001353900000000, -0.0001392900000000 ] - [ -0.0028001800000000, 0.0002301300000000, -0.0035394400000000 ] - [ -0.0003545400000000, 0.0002841700000000, -0.0000059400000000 ] - [ -0.0013570500000000, -0.0001172500000000, -0.0000355700000000 ] - [ -0.0020370500000000, 0.0000240100000000, 0.0026342400000000 ] - [ 0.0000227600000000, -0.0001044200000000, 0.0000701000000000 ] - [ 0.0281132900000000, 0.0045297900000000, 0.0004155200000000 ] - [ -0.0000783000000000, 0.0001088000000000, -0.0001277100000000 ] - [ 0.0000650600000000, -0.0000836900000000, -0.0000943000000000 ] - [ -0.0000209500000000, -0.0001178100000000, -0.0000724300000000 ] - [ -0.0000010700000000, 0.0002943800000000, 0.0002315200000000 ] - [ -0.0007011300000000, 0.0004044900000000, -0.0016563500000000 ] - [ -0.0002599300000000, 0.0009403700000000, 0.0003583000000000 ] - [ -0.0000551000000000, -0.0000994000000000, 0.0000716400000000 ] - [ 0.0000013000000000, 0.0000309800000000, 0.0000157900000000 ] - [ -0.0001716600000000, -0.0002869800000000, 0.0002029600000000 ] - [ -0.0000051000000000, 0.0000201400000000, -0.0000220000000000 ] - [ 0.0000043800000000, -0.0001533600000000, -0.0000924500000000 ] - [ -0.0000169700000000, -0.0001894900000000, -0.0000015800000000 ] - [ 0.0000115700000000, -0.0001641700000000, 0.0002225000000000 ] - [ 0.0000707200000000, 0.0000885100000000, 0.0000662500000000 ] - [ -0.0000053300000000, -0.0002844600000000, -0.0000454300000000 ] - [ -0.0001301900000000, -0.0000178200000000, 0.0000506500000000 ] - [ -0.0000000800000000, -0.0000417600000000, 0.0001041100000000 ] - [ -0.0002983700000000, 0.0001558500000000, -0.0002334500000000 ] - [ 0.0000600300000000, -0.0001107000000000, 0.0001205500000000 ] - [ 0.0000204700000000, -0.0001324600000000, 0.0000183300000000 ] - [ -0.0027784800000000, -0.0005413400000000, 0.0040229200000000 ] - [ 0.0005052800000000, 0.0000395100000000, 0.0000126700000000 ] - [ 0.0000243800000000, 0.0001640700000000, -0.0001391300000000 ] - [ -0.0000175200000000, -0.0001423900000000, -0.0001089800000000 ] - [ 0.0001351700000000, -0.0000274300000000, -0.0000658100000000 ] - [ -0.0000276200000000, -0.0001663200000000, -0.0002399700000000 ] - [ 0.0000273900000000, 0.0001128200000000, 0.0000070600000000 ] - [ 0.0000291400000000, -0.0001867200000000, -0.0000132600000000 ] - [ 0.0000042200000000, -0.0002909700000000, 0.0000293700000000 ] - [ -0.0000606000000000, 0.0000559800000000, 0.0000716600000000 ] - [ -0.0000454800000000, -0.0000604500000000, -0.0001522900000000 ] - [ 0.0023972900000000, 0.0005351300000000, 0.0004033300000000 ] - [ -0.0000333300000000, -0.0002037400000000, 0.0001327900000000 ] - [ 0.0001968300000000, -0.0001204200000000, 0.0001399900000000 ] - [ 0.0002905500000000, -0.0001124000000000, 0.0001312000000000 ] - [ -0.0001467400000000, -0.0003088000000000, -0.0001163000000000 ] - [ 0.0021954600000000, -0.0036620200000000, -0.0023321100000000 ] - [ 0.0019919800000000, 0.0018370400000000, -0.0018122700000000 ] - [ -0.0007002300000000, 0.0003049400000000, 0.0002457400000000 ] - [ 0.0003814200000000, -0.0000202700000000, -0.0013781200000000 ] - [ -0.0002065400000000, -0.0001123700000000, -0.0001754700000000 ] - [ -0.0008393800000000, 0.0001673000000000, -0.0000372700000000 ] - [ 0.0001804400000000, 0.0000443200000000, -0.0003623100000000 ] - [ 0.0000837100000000, -0.0001966700000000, -0.0001687700000000 ] - [ -0.0001217300000000, -0.0002186700000000, 0.0000660100000000 ] - [ -0.0045608000000000, 0.0039421700000000, 0.0024789700000000 ] - [ -0.0040634300000000, -0.0038796500000000, -0.0023756100000000 ] - [ 0.0007548900000000, 0.0003099300000000, 0.0009454900000000 ] - [ -0.0000788100000000, -0.0001097900000000, 0.0002018900000000 ] - [ -0.0000601500000000, -0.0001434900000000, 0.0002465000000000 ] - [ 0.0003977100000000, 0.0001076600000000, -0.0003967500000000 ] - [ -0.0000592100000000, -0.0003916500000000, -0.0002809600000000 ] - [ -0.0090772800000000, -0.0028602700000000, 0.0025196900000000 ] - [ -0.0000358500000000, -0.0002589600000000, 0.0000976900000000 ] - [ 0.0000474200000000, -0.0001210600000000, -0.0001208600000000 ] - [ 0.0000157900000000, -0.0001253300000000, 0.0002469300000000 ] - [ -0.0011817700000000, 0.0000408900000000, 0.0002570700000000 ] - [ -0.0000773100000000, -0.0002247600000000, 0.0002720400000000 ] - [ -0.0000046700000000, -0.0001126100000000, -0.0000575300000000 ] - [ 0.0004605100000000, 0.0001346900000000, -0.0001255700000000 ] - [ 0.0001271300000000, -0.0002219900000000, -0.0002509800000000 ] - [ 0.0001308000000000, 0.0003904000000000, -0.0002006400000000 ] - [ -0.0002574300000000, -0.0000806900000000, 0.0002612900000000 ] - [ 0.0000662600000000, 0.0000397100000000, 0.0000677500000000 ] - [ 0.0002369300000000, -0.0000110000000000, 0.0000738000000000 ] - [ -0.0001087100000000, -0.0001258000000000, 0.0007888800000000 ] - [ -0.0005381700000000, -0.0016628500000000, 0.0005572100000000 ] - [ -0.0027408200000000, 0.0002915000000000, -0.0004312400000000 ] - [ -0.0000817700000000, -0.0001061300000000, -0.0000304100000000 ] - [ 0.0000629500000000, -0.0000899800000000, 0.0000638400000000 ] - [ 0.0004685400000000, 0.0007362400000000, 0.0004336100000000 ] - [ 0.0003588700000000, 0.0001421800000000, -0.0001541400000000 ] - [ -0.0000471200000000, -0.0002251000000000, 0.0000310100000000 ] - [ -0.0006328400000000, 0.0019621500000000, -0.0004763800000000 ] - [ -0.0000795100000000, 0.0000619000000000, 0.0001054800000000 ] - [ -0.0005194300000000, 0.0004103500000000, -0.0023420100000000 ] - [ -0.0000812700000000, 0.0000445900000000, 0.0000755200000000 ] - [ 0.0000321100000000, -0.0000729200000000, 0.0001238400000000 ] - [ 0.0000087700000000, -0.0002746500000000, -0.0000726300000000 ] - [ 0.0000565700000000, -0.0000959000000000, -0.0002137600000000 ] - [ -0.0000476500000000, -0.0002672700000000, 0.0000619100000000 ] - [ -0.0005483200000000, 0.0000109400000000, 0.0022989400000000 ] - [ 0.0000931700000000, -0.0002283200000000, 0.0001682100000000 ] - [ -0.0026795100000000, 0.0002244300000000, 0.0001588200000000 ] - [ 0.0000070800000000, 0.0000706300000000, -0.0003855700000000 ] - [ 0.0001454900000000, -0.0000279400000000, -0.0000349600000000 ] - [ -0.0000736500000000, 0.0004692000000000, 0.0000364300000000 ] - [ 0.0063195500000000, 0.0001774600000000, -0.0001040500000000 ] - [ 0.0000250000000000, -0.0000233000000000, 0.0001167700000000 ] - [ 0.0000591000000000, 0.0004088500000000, 0.0001633800000000 ] - [ 0.0000762400000000, -0.0002411900000000, -0.0000029400000000 ] - [ 0.0000173700000000, -0.0000988900000000, 0.0000972700000000 ] - [ -0.0031087300000000, -0.0000639000000000, -0.0000280900000000 ] - [ -0.0000426900000000, -0.0001065700000000, 0.0001510500000000 ] - [ 0.0008059400000000, -0.0002140700000000, 0.0000427000000000 ] - [ -0.0049131400000000, -0.0001070100000000, -0.0014622700000000 ] - [ -0.0000389200000000, -0.0000625400000000, -0.0000774500000000 ]- atom: 15 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000075700000000, 0.0001414600000000, 0.0003273300000000 ] - [ -0.0002532300000000, -0.0002980800000000, 0.0000587400000000 ] - [ 0.0004810700000000, 0.0002587400000000, -0.0002081200000000 ] - [ -0.0002777400000000, 0.0001117300000000, 0.0000905300000000 ] - [ -0.0001153600000000, -0.0000936000000000, -0.0004757000000000 ] - [ -0.0006588800000000, 0.0054518100000000, -0.0045288400000000 ] - [ 0.0000226400000000, -0.0000766400000000, -0.0002467100000000 ] - [ 0.0004094700000000, -0.0002858100000000, 0.0004028500000000 ] - [ -0.0000235700000000, 0.0007957500000000, -0.0002168600000000 ] - [ -0.0000444200000000, -0.0013175700000000, -0.0001502700000000 ] - [ 0.0000069000000000, 0.0008622400000000, -0.0001881900000000 ] - [ -0.0000879200000000, -0.0008525900000000, -0.0000563000000000 ] - [ 0.0000646300000000, -0.0011397800000000, 0.0000712300000000 ] - [ 0.0000998100000000, -0.0002913000000000, 0.0000305900000000 ] - [ -0.0048111000000000, -0.0457932500000000, -0.0058756200000000 ] - [ -0.0001052500000000, -0.0000029800000000, -0.0000266300000000 ] - [ 0.0000651200000000, -0.0000333800000000, -0.0000582500000000 ] - [ 0.0000164000000000, 0.0002332900000000, 0.0000817000000000 ] - [ 0.0001433900000000, 0.0006051400000000, 0.0001960200000000 ] - [ -0.0000500300000000, -0.0005942500000000, 0.0002391400000000 ] - [ -0.0007149900000000, 0.0013901900000000, 0.0002439200000000 ] - [ -0.0000503200000000, -0.0001693000000000, 0.0001015900000000 ] - [ -0.0000083400000000, -0.0000628300000000, 0.0000440300000000 ] - [ 0.0006035100000000, 0.0010864900000000, -0.0001061700000000 ] - [ -0.0000005100000000, 0.0000620500000000, 0.0000132500000000 ] - [ -0.0000630500000000, -0.0005224100000000, 0.0000589900000000 ] - [ -0.0000089600000000, -0.0002129900000000, 0.0000335500000000 ] - [ 0.0000038400000000, -0.0001902000000000, 0.0002459400000000 ] - [ 0.0000757200000000, 0.0002844300000000, 0.0001552100000000 ] - [ -0.0000032400000000, -0.0003250000000000, -0.0000165300000000 ] - [ -0.0001236400000000, 0.0000503100000000, 0.0000831500000000 ] - [ 0.0000409200000000, -0.0002234700000000, 0.0001669600000000 ] - [ -0.0000059800000000, -0.0000872600000000, -0.0000251400000000 ] - [ 0.0000683000000000, -0.0000438200000000, 0.0001585400000000 ] - [ 0.0000292500000000, -0.0002087600000000, 0.0000436900000000 ] - [ 0.0002528000000000, -0.0015653000000000, -0.0004242500000000 ] - [ 0.0000819600000000, 0.0011728400000000, 0.0001354100000000 ] - [ -0.0000880800000000, 0.0004641500000000, -0.0003020500000000 ] - [ -0.0001302400000000, 0.0005662600000000, 0.0001314400000000 ] - [ 0.0001294400000000, -0.0000829700000000, -0.0000390000000000 ] - [ -0.0000191000000000, -0.0001315900000000, -0.0002536200000000 ] - [ -0.0000078000000000, -0.0002483500000000, -0.0002185300000000 ] - [ 0.0000200400000000, -0.0001436700000000, -0.0000088900000000 ] - [ -0.0000084600000000, -0.0002041800000000, 0.0000638300000000 ] - [ 0.0000580400000000, 0.0002446900000000, 0.0000598300000000 ] - [ -0.0000569900000000, 0.0000635300000000, -0.0000240600000000 ] - [ -0.0004845100000000, 0.0028079900000000, 0.0063782100000000 ] - [ -0.0000736900000000, 0.0005279800000000, -0.0003474100000000 ] - [ 0.0002332700000000, -0.0001544000000000, 0.0000988300000000 ] - [ 0.0003521200000000, -0.0000671700000000, 0.0002483200000000 ] - [ -0.0000280700000000, -0.0001691900000000, -0.0002953200000000 ] - [ 0.0039937700000000, 0.0144069900000000, 0.0124379000000000 ] - [ -0.0019983700000000, 0.0072148600000000, -0.0109232400000000 ] - [ 0.0017937800000000, -0.0002013600000000, 0.0001821600000000 ] - [ -0.0004725100000000, 0.0003614900000000, 0.0012999900000000 ] - [ -0.0002885500000000, -0.0000773200000000, -0.0000314400000000 ] - [ -0.0016091100000000, -0.0002649800000000, -0.0006088900000000 ] - [ -0.0000974000000000, -0.0001127300000000, -0.0004489400000000 ] - [ 0.0000895000000000, -0.0001614500000000, -0.0000108200000000 ] - [ -0.0001102200000000, -0.0002475800000000, 0.0000681600000000 ] - [ -0.0009262800000000, 0.0033446500000000, 0.0017966300000000 ] - [ 0.0014237000000000, 0.0035855700000000, 0.0018294300000000 ] - [ 0.0002149500000000, 0.0002513500000000, 0.0010911900000000 ] - [ -0.0000590400000000, -0.0000687500000000, 0.0002753700000000 ] - [ -0.0001210300000000, 0.0003102400000000, 0.0001302900000000 ] - [ -0.0001134800000000, 0.0000717700000000, 0.0001532000000000 ] - [ -0.0000170300000000, -0.0007473300000000, -0.0002896000000000 ] - [ 0.0057779400000000, 0.0063815700000000, -0.0013781700000000 ] - [ 0.0000077300000000, -0.0002458700000000, -0.0001035000000000 ] - [ 0.0000271600000000, -0.0002049800000000, -0.0001823900000000 ] - [ -0.0002829400000000, 0.0006079900000000, -0.0001937100000000 ] - [ 0.0000597000000000, 0.0001428300000000, 0.0001511500000000 ] - [ -0.0000339100000000, -0.0002175100000000, 0.0001688200000000 ] - [ -0.0000098400000000, -0.0001515200000000, -0.0001354700000000 ] - [ 0.0001838000000000, 0.0011988800000000, 0.0000099400000000 ] - [ 0.0000904600000000, -0.0002261300000000, -0.0002954800000000 ] - [ 0.0001356500000000, 0.0008594000000000, -0.0003165100000000 ] - [ -0.0001222600000000, -0.0000691500000000, 0.0006734100000000 ] - [ 0.0001016300000000, -0.0001112100000000, 0.0000645200000000 ] - [ 0.0001834500000000, -0.0006586100000000, 0.0003619600000000 ] - [ 0.0021990500000000, -0.0001163900000000, 0.0005929100000000 ] - [ -0.0004371400000000, -0.0022772700000000, 0.0007057300000000 ] - [ -0.0002248900000000, 0.0031732900000000, 0.0020533700000000 ] - [ -0.0000281000000000, -0.0000960700000000, -0.0002490300000000 ] - [ 0.0000417000000000, -0.0001062300000000, 0.0001611500000000 ] - [ -0.0022871700000000, -0.0003967900000000, -0.0004073300000000 ] - [ -0.0000859100000000, -0.0007339700000000, -0.0001669900000000 ] - [ -0.0000962100000000, -0.0002055700000000, -0.0001765300000000 ] - [ 0.0003783100000000, -0.0022791100000000, 0.0008727100000000 ] - [ -0.0006894800000000, -0.0011452100000000, 0.0010430000000000 ] - [ -0.0003613500000000, 0.0004023800000000, -0.0021973900000000 ] - [ -0.0000987500000000, -0.0002500900000000, 0.0001980500000000 ] - [ 0.0000006600000000, -0.0002360900000000, 0.0000672900000000 ] - [ 0.0000194200000000, -0.0003132600000000, -0.0001350700000000 ] - [ -0.0000014100000000, -0.0000979900000000, -0.0001626500000000 ] - [ -0.0000137900000000, -0.0001718800000000, 0.0001453200000000 ] - [ 0.0004011700000000, 0.0001119300000000, -0.0022175300000000 ] - [ 0.0000954200000000, -0.0002246400000000, 0.0001540800000000 ] - [ -0.0001262300000000, 0.0030785500000000, 0.0007894400000000 ] - [ 0.0000228300000000, 0.0002380700000000, 0.0000006400000000 ] - [ 0.0001259200000000, 0.0001046000000000, -0.0000689600000000 ] - [ 0.0006053000000000, -0.0019184200000000, -0.0008437900000000 ] - [ -0.0001181800000000, 0.0000310200000000, -0.0004467700000000 ] - [ 0.0000181700000000, 0.0000391700000000, 0.0000707300000000 ] - [ -0.0001003600000000, -0.0006950800000000, -0.0003489200000000 ] - [ 0.0000557400000000, -0.0004991700000000, 0.0001855800000000 ] - [ -0.0000436000000000, -0.0000550100000000, -0.0000355300000000 ] - [ -0.0000508500000000, 0.0032507800000000, -0.0006644000000000 ] - [ -0.0000338600000000, -0.0000350200000000, 0.0001084400000000 ] - [ -0.0000862600000000, 0.0010418000000000, 0.0000386000000000 ] - [ -0.0018389600000000, 0.0039515800000000, -0.0005223500000000 ] - [ -0.0000251600000000, -0.0001300600000000, -0.0001901800000000 ]- atom: 15 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000150500000000, 0.0001084900000000, 0.0001094800000000 ] - [ -0.0002690200000000, -0.0002961100000000, -0.0001946100000000 ] - [ 0.0000411300000000, 0.0003348200000000, 0.0003438800000000 ] - [ 0.0002548800000000, 0.0001391600000000, -0.0005276500000000 ] - [ 0.0000931400000000, -0.0001573900000000, 0.0000385700000000 ] - [ 0.0001301900000000, -0.0047971500000000, 0.0043331400000000 ] - [ -0.0000001800000000, -0.0001744200000000, 0.0006850700000000 ] - [ 0.0001125200000000, -0.0003082700000000, -0.0002681300000000 ] - [ 0.0000594300000000, -0.0005736600000000, 0.0002289300000000 ] - [ 0.0001775200000000, 0.0015961100000000, 0.0003556400000000 ] - [ -0.0000082400000000, -0.0003012400000000, 0.0001113400000000 ] - [ 0.0000879700000000, 0.0008198100000000, 0.0000298700000000 ] - [ -0.0003136700000000, 0.0011918200000000, 0.0000391700000000 ] - [ 0.0000767400000000, 0.0000968600000000, 0.0001393700000000 ] - [ 0.0048652100000000, 0.0465129400000000, 0.0057633600000000 ] - [ -0.0000710700000000, 0.0001965000000000, -0.0001433300000000 ] - [ 0.0000550100000000, -0.0001372400000000, -0.0001068000000000 ] - [ -0.0000531900000000, -0.0004520800000000, -0.0000952500000000 ] - [ -0.0002654300000000, -0.0004381600000000, -0.0000309500000000 ] - [ 0.0000472500000000, 0.0011562300000000, -0.0001679100000000 ] - [ 0.0007405700000000, -0.0010665500000000, 0.0002253500000000 ] - [ -0.0000704700000000, 0.0000006000000000, 0.0000626800000000 ] - [ 0.0000067700000000, 0.0000951600000000, -0.0000168200000000 ] - [ -0.0006377500000000, -0.0007182000000000, 0.0001173700000000 ] - [ 0.0000016700000000, -0.0000290400000000, -0.0000405400000000 ] - [ -0.0000556700000000, 0.0002401100000000, -0.0002502400000000 ] - [ -0.0000246200000000, -0.0001603900000000, -0.0000229500000000 ] - [ 0.0000186600000000, -0.0001424600000000, 0.0002223200000000 ] - [ 0.0001000200000000, -0.0000883700000000, 0.0000125300000000 ] - [ 0.0000018300000000, -0.0002374100000000, -0.0000608100000000 ] - [ -0.0001336800000000, -0.0001036900000000, 0.0000363400000000 ] - [ 0.0000569100000000, 0.0001354800000000, 0.0000318600000000 ] - [ -0.0000166900000000, 0.0004197100000000, -0.0004435000000000 ] - [ 0.0000515300000000, -0.0002399500000000, 0.0000348500000000 ] - [ 0.0000076400000000, -0.0000103200000000, -0.0000324400000000 ] - [ -0.0003661400000000, 0.0016491500000000, 0.0002439700000000 ] - [ 0.0001760200000000, -0.0011132400000000, -0.0002548600000000 ] - [ -0.0000306700000000, -0.0001827100000000, 0.0001063100000000 ] - [ 0.0001282900000000, -0.0006006400000000, -0.0001043700000000 ] - [ 0.0001287000000000, 0.0000290700000000, -0.0000813300000000 ] - [ -0.0000034600000000, -0.0002017700000000, -0.0002155800000000 ] - [ -0.0000287200000000, 0.0004662200000000, 0.0002072700000000 ] - [ 0.0000137700000000, -0.0002302900000000, -0.0000019500000000 ] - [ 0.0000103000000000, -0.0003585300000000, 0.0000125500000000 ] - [ 0.0000403300000000, -0.0001665200000000, 0.0001272400000000 ] - [ -0.0000407100000000, -0.0001424700000000, -0.0001617800000000 ] - [ 0.0005135800000000, -0.0024364400000000, -0.0063265400000000 ] - [ -0.0000995800000000, -0.0007219900000000, 0.0001807000000000 ] - [ 0.0002139200000000, -0.0000811500000000, 0.0001724300000000 ] - [ 0.0002229500000000, -0.0001586900000000, 0.0000921800000000 ] - [ -0.0005436000000000, -0.0000558900000000, -0.0000482500000000 ] - [ -0.0041926900000000, -0.0144307300000000, -0.0121627300000000 ] - [ 0.0022045100000000, -0.0068923800000000, 0.0107728300000000 ] - [ -0.0012218700000000, 0.0004292000000000, 0.0001602700000000 ] - [ -0.0001026500000000, -0.0001382500000000, -0.0016445900000000 ] - [ -0.0001582500000000, -0.0001562200000000, -0.0002416900000000 ] - [ 0.0011638900000000, 0.0004996100000000, 0.0003386700000000 ] - [ 0.0002377400000000, -0.0000820200000000, -0.0000237200000000 ] - [ 0.0001000900000000, -0.0002541200000000, -0.0002589900000000 ] - [ -0.0000795100000000, -0.0001711000000000, 0.0001984000000000 ] - [ 0.0007274400000000, -0.0029297800000000, -0.0015283700000000 ] - [ -0.0009644300000000, -0.0033522100000000, -0.0015652700000000 ] - [ -0.0000725300000000, -0.0000587200000000, -0.0015637500000000 ] - [ -0.0000831600000000, -0.0001250900000000, 0.0001949400000000 ] - [ -0.0000792200000000, -0.0002590100000000, -0.0001975200000000 ] - [ -0.0000176100000000, 0.0001319900000000, -0.0003470700000000 ] - [ -0.0001842700000000, 0.0006993700000000, 0.0002244900000000 ] - [ -0.0054809100000000, -0.0059979000000000, 0.0011961200000000 ] - [ -0.0000502000000000, -0.0002787100000000, 0.0002832900000000 ] - [ 0.0000541700000000, -0.0000290500000000, -0.0000821300000000 ] - [ 0.0000509100000000, -0.0005796700000000, 0.0003371500000000 ] - [ -0.0001675400000000, 0.0000528700000000, 0.0003063400000000 ] - [ -0.0001200300000000, -0.0002247500000000, 0.0003530300000000 ] - [ 0.0000077400000000, -0.0000627600000000, -0.0000268500000000 ] - [ -0.0001029000000000, -0.0009686900000000, -0.0002746600000000 ] - [ 0.0000645000000000, -0.0002168200000000, -0.0002267500000000 ] - [ -0.0000943300000000, -0.0003257500000000, 0.0002223900000000 ] - [ 0.0000133300000000, -0.0001255500000000, -0.0002109100000000 ] - [ 0.0000992400000000, 0.0001604700000000, 0.0000026800000000 ] - [ -0.0001816100000000, 0.0008724800000000, -0.0001991400000000 ] - [ -0.0023542900000000, 0.0005600000000000, -0.0000728400000000 ] - [ 0.0005000400000000, 0.0023808800000000, -0.0005172100000000 ] - [ 0.0001658300000000, -0.0031040100000000, -0.0022495700000000 ] - [ -0.0001042300000000, -0.0001088300000000, 0.0000593400000000 ] - [ 0.0000895100000000, -0.0000981300000000, 0.0000328200000000 ] - [ 0.0023970000000000, 0.0005960500000000, -0.0000476900000000 ] - [ 0.0003187200000000, 0.0007626700000000, 0.0000234900000000 ] - [ -0.0000312300000000, -0.0002340600000000, 0.0001100500000000 ] - [ -0.0004642200000000, 0.0025151000000000, -0.0006152700000000 ] - [ 0.0006470200000000, 0.0016723200000000, -0.0008591900000000 ] - [ 0.0004948000000000, 0.0000322500000000, 0.0022729100000000 ] - [ -0.0001350700000000, 0.0002201900000000, -0.0000544700000000 ] - [ -0.0000003100000000, 0.0000709000000000, 0.0001231900000000 ] - [ 0.0000225600000000, -0.0002123100000000, -0.0000439800000000 ] - [ 0.0001090200000000, -0.0000977800000000, -0.0002952200000000 ] - [ -0.0000282100000000, -0.0003627600000000, -0.0000488600000000 ] - [ -0.0002787700000000, 0.0000863400000000, 0.0024188000000000 ] - [ 0.0000340200000000, -0.0002149600000000, -0.0000832900000000 ] - [ -0.0000054300000000, -0.0031118900000000, -0.0008164800000000 ] - [ -0.0000229700000000, -0.0004011800000000, -0.0001916000000000 ] - [ 0.0001069000000000, -0.0001338700000000, -0.0000730000000000 ] - [ -0.0006513000000000, 0.0024495700000000, 0.0009374200000000 ] - [ 0.0002743500000000, 0.0004098700000000, -0.0000740100000000 ] - [ 0.0000388400000000, -0.0001363100000000, 0.0001269800000000 ] - [ 0.0001005600000000, 0.0008614500000000, 0.0001598800000000 ] - [ -0.0000124200000000, -0.0000352900000000, -0.0002793700000000 ] - [ 0.0000462300000000, -0.0001572200000000, 0.0001984700000000 ] - [ 0.0002556300000000, -0.0033423700000000, 0.0007055500000000 ] - [ -0.0000468600000000, -0.0001965200000000, 0.0001574500000000 ] - [ 0.0000871100000000, -0.0008786200000000, 0.0001514400000000 ] - [ 0.0016925200000000, -0.0033134000000000, 0.0003463600000000 ] - [ -0.0000322100000000, 0.0000293700000000, -0.0000057400000000 ]- atom: 15 displacement: [ -0.0000185648863736, 0.0000000000000000, 0.0099999827672348 ] forces: - [ -0.0000055500000000, 0.0001401800000000, 0.0004652300000000 ] - [ -0.0002473500000000, -0.0002605900000000, 0.0001872400000000 ] - [ -0.0000431600000000, 0.0002465200000000, 0.0004752300000000 ] - [ -0.0003842300000000, 0.0002330200000000, 0.0001664600000000 ] - [ 0.0000871500000000, -0.0001638300000000, 0.0000796400000000 ] - [ -0.0000226200000000, -0.0034746800000000, 0.0007283000000000 ] - [ 0.0000221200000000, -0.0001780900000000, -0.0000258400000000 ] - [ 0.0003751000000000, -0.0002600000000000, 0.0003178200000000 ] - [ 0.0002590100000000, 0.0002085300000000, -0.0001277400000000 ] - [ 0.0034931400000000, -0.0000206800000000, 0.0018873900000000 ] - [ 0.0000299200000000, 0.0003206900000000, -0.0002475100000000 ] - [ 0.0000200900000000, -0.0000820400000000, -0.0003974300000000 ] - [ -0.0025791300000000, 0.0001885900000000, 0.0014060500000000 ] - [ 0.0000590700000000, -0.0001027000000000, 0.0002256500000000 ] - [ -0.0003513500000000, -0.0055727500000000, -0.0283646600000000 ] - [ -0.0000865800000000, 0.0001005800000000, 0.0001129500000000 ] - [ 0.0000666200000000, -0.0001067300000000, 0.0000353100000000 ] - [ 0.0000207700000000, -0.0000956300000000, 0.0002284000000000 ] - [ -0.0002031900000000, -0.0000309800000000, -0.0000327800000000 ] - [ 0.0015597000000000, 0.0004162800000000, 0.0014071100000000 ] - [ -0.0000607200000000, 0.0003558200000000, -0.0003270900000000 ] - [ -0.0000423900000000, -0.0000638500000000, 0.0002049200000000 ] - [ -0.0000149900000000, 0.0000346200000000, 0.0001410100000000 ] - [ -0.0001913900000000, -0.0000730000000000, -0.0004657500000000 ] - [ -0.0000112600000000, -0.0000049600000000, 0.0001004000000000 ] - [ -0.0000260100000000, -0.0001794000000000, 0.0005298600000000 ] - [ -0.0000104200000000, -0.0001731200000000, 0.0001142300000000 ] - [ 0.0000118800000000, -0.0001455400000000, 0.0003570000000000 ] - [ 0.0000705700000000, 0.0001206900000000, 0.0001241300000000 ] - [ -0.0000065600000000, -0.0002558800000000, 0.0000656600000000 ] - [ -0.0001188800000000, -0.0000355500000000, 0.0001630700000000 ] - [ 0.0000339800000000, -0.0000510300000000, 0.0001785900000000 ] - [ 0.0000085200000000, 0.0002111600000000, -0.0002776500000000 ] - [ 0.0000677900000000, -0.0001487400000000, 0.0002757400000000 ] - [ 0.0000199600000000, -0.0001023100000000, 0.0002015900000000 ] - [ -0.0039959500000000, -0.0004743900000000, 0.0024941900000000 ] - [ 0.0000864300000000, -0.0000708700000000, -0.0006118200000000 ] - [ -0.0000218000000000, 0.0001074300000000, 0.0001371300000000 ] - [ 0.0001139100000000, -0.0001387200000000, -0.0000604600000000 ] - [ 0.0001355800000000, -0.0000112800000000, 0.0000568400000000 ] - [ -0.0000143700000000, -0.0001984000000000, -0.0001394900000000 ] - [ -0.0000109700000000, 0.0002492100000000, 0.0005209600000000 ] - [ 0.0000216500000000, -0.0002003000000000, 0.0001016800000000 ] - [ -0.0000096600000000, -0.0002924000000000, 0.0001432900000000 ] - [ 0.0000296800000000, 0.0000425000000000, 0.0002074200000000 ] - [ -0.0000576500000000, -0.0000541100000000, 0.0000980700000000 ] - [ -0.0005756400000000, 0.0064089800000000, 0.0051978600000000 ] - [ -0.0003482700000000, -0.0000183400000000, -0.0002824300000000 ] - [ 0.0001522500000000, -0.0000868500000000, 0.0006168000000000 ] - [ 0.0001956900000000, -0.0000689200000000, 0.0006666800000000 ] - [ -0.0003034000000000, -0.0004023800000000, 0.0003409900000000 ] - [ 0.0028209600000000, 0.0139651100000000, -0.0013714400000000 ] - [ 0.0021412200000000, -0.0127632900000000, -0.0005136700000000 ] - [ 0.0017664000000000, 0.0003168000000000, -0.0013306200000000 ] - [ -0.0001212000000000, 0.0003024400000000, -0.0000486800000000 ] - [ -0.0003210700000000, -0.0001540400000000, 0.0003671200000000 ] - [ 0.0013014600000000, -0.0000399300000000, -0.0014469800000000 ] - [ 0.0001130500000000, -0.0003570400000000, 0.0003078500000000 ] - [ 0.0001100700000000, -0.0002429600000000, 0.0004216900000000 ] - [ -0.0000635300000000, -0.0001531800000000, 0.0006171200000000 ] - [ -0.0005833800000000, 0.0007411200000000, 0.0005851800000000 ] - [ 0.0004040600000000, 0.0003863200000000, 0.0004276300000000 ] - [ -0.0001496900000000, 0.0003203800000000, -0.0001164600000000 ] - [ -0.0000369400000000, -0.0001267600000000, 0.0008185500000000 ] - [ -0.0003109600000000, 0.0004574300000000, -0.0004934100000000 ] - [ -0.0007409100000000, 0.0001604000000000, 0.0025169500000000 ] - [ -0.0000155500000000, -0.0001075900000000, -0.0002459600000000 ] - [ -0.0005314400000000, -0.0001073700000000, 0.0023973400000000 ] - [ 0.0000612800000000, -0.0004614100000000, -0.0002643500000000 ] - [ 0.0000149400000000, 0.0000375000000000, -0.0003310400000000 ] - [ -0.0001909400000000, -0.0001002700000000, -0.0001471700000000 ] - [ -0.0000362000000000, -0.0000839600000000, -0.0000714400000000 ] - [ -0.0000585100000000, -0.0002182200000000, 0.0001225000000000 ] - [ -0.0000783300000000, 0.0000444600000000, -0.0003555600000000 ] - [ 0.0000784200000000, 0.0002823400000000, -0.0000214800000000 ] - [ 0.0000753300000000, -0.0002206900000000, -0.0003686600000000 ] - [ 0.0001092200000000, 0.0001521000000000, -0.0002834500000000 ] - [ -0.0000461000000000, -0.0000862700000000, 0.0000174600000000 ] - [ 0.0001343200000000, -0.0001182900000000, -0.0002624600000000 ] - [ -0.0000038400000000, 0.0001416200000000, 0.0001651600000000 ] - [ -0.0021572200000000, 0.0006807100000000, 0.0001228500000000 ] - [ -0.0000269200000000, -0.0001355900000000, 0.0005408300000000 ] - [ -0.0009795900000000, 0.0062701100000000, -0.0029734700000000 ] - [ 0.0001350300000000, -0.0000940000000000, -0.0008903000000000 ] - [ 0.0002539500000000, -0.0001030800000000, -0.0006992800000000 ] - [ -0.0023491000000000, -0.0003401000000000, -0.0001574500000000 ] - [ 0.0000712700000000, -0.0001070900000000, 0.0000976200000000 ] - [ -0.0002801400000000, -0.0001837700000000, -0.0009126100000000 ] - [ 0.0000702300000000, 0.0000806000000000, 0.0004211800000000 ] - [ 0.0004157900000000, 0.0012598700000000, 0.0002332900000000 ] - [ 0.0003224400000000, 0.0000964600000000, 0.0003491600000000 ] - [ 0.0000095700000000, -0.0000654500000000, 0.0000019200000000 ] - [ -0.0000487200000000, -0.0002384700000000, -0.0001614900000000 ] - [ 0.0001040900000000, -0.0001091400000000, -0.0003583400000000 ] - [ 0.0001254000000000, -0.0001009600000000, -0.0004097000000000 ] - [ 0.0000397000000000, -0.0000702300000000, -0.0003952800000000 ] - [ -0.0004178700000000, -0.0001505100000000, 0.0005887800000000 ] - [ -0.0001196400000000, -0.0002468700000000, -0.0007610300000000 ] - [ 0.0019906500000000, 0.0003578200000000, 0.0097355700000000 ] - [ 0.0001572800000000, 0.0003349400000000, -0.0005263000000000 ] - [ 0.0000512300000000, 0.0001016100000000, -0.0003554900000000 ] - [ 0.0004066300000000, -0.0005182000000000, -0.0000323200000000 ] - [ 0.0003115700000000, 0.0001134200000000, -0.0002401100000000 ] - [ 0.0000662700000000, -0.0002276200000000, -0.0001110700000000 ] - [ -0.0000675100000000, -0.0000317700000000, -0.0002979100000000 ] - [ -0.0001244800000000, -0.0002987700000000, -0.0001322700000000 ] - [ -0.0000736800000000, -0.0002518400000000, -0.0001824200000000 ] - [ -0.0011634100000000, -0.0037715200000000, 0.0041632400000000 ] - [ -0.0000732700000000, -0.0002816300000000, -0.0000713200000000 ] - [ 0.0001477300000000, -0.0000570600000000, 0.0003050000000000 ] - [ 0.0001705900000000, 0.0002086700000000, 0.0029375500000000 ] - [ -0.0000071300000000, 0.0001269800000000, -0.0003208900000000 ]- atom: 15 displacement: [ 0.0000185648863736, 0.0000000000000000, -0.0099999827672348 ] forces: - [ 0.0000284300000000, 0.0001085800000000, -0.0000285400000000 ] - [ -0.0002750500000000, -0.0003333000000000, -0.0003231300000000 ] - [ 0.0005648400000000, 0.0003466900000000, -0.0003385600000000 ] - [ 0.0003604600000000, 0.0000145700000000, -0.0006040800000000 ] - [ -0.0001099600000000, -0.0000851000000000, -0.0005161800000000 ] - [ -0.0005005100000000, 0.0040914300000000, -0.0008493400000000 ] - [ 0.0000005800000000, -0.0000702600000000, 0.0004646500000000 ] - [ 0.0001477800000000, -0.0003337200000000, -0.0001823700000000 ] - [ -0.0002219100000000, 0.0000119400000000, 0.0001401400000000 ] - [ -0.0034107100000000, 0.0003006800000000, -0.0017042800000000 ] - [ -0.0000308300000000, 0.0002403300000000, 0.0001693400000000 ] - [ -0.0000166200000000, 0.0000523300000000, 0.0003703700000000 ] - [ 0.0022960800000000, -0.0001365600000000, -0.0012785000000000 ] - [ 0.0001169900000000, -0.0000937500000000, -0.0000549400000000 ] - [ 0.0005122100000000, 0.0060531900000000, 0.0284153800000000 ] - [ -0.0000895100000000, 0.0000964800000000, -0.0002839700000000 ] - [ 0.0000546600000000, -0.0000582900000000, -0.0002009300000000 ] - [ -0.0000575100000000, -0.0001234000000000, -0.0002393900000000 ] - [ 0.0000815200000000, 0.0001957400000000, 0.0001983800000000 ] - [ -0.0015408800000000, 0.0001466700000000, -0.0013126700000000 ] - [ 0.0000820600000000, -0.0000223600000000, 0.0007953900000000 ] - [ -0.0000789300000000, -0.0001030400000000, -0.0000401500000000 ] - [ 0.0000112900000000, -0.0000025600000000, -0.0001138400000000 ] - [ 0.0001580000000000, 0.0004460400000000, 0.0004741600000000 ] - [ 0.0000140500000000, 0.0000379700000000, -0.0001277500000000 ] - [ -0.0000908700000000, -0.0001062800000000, -0.0007243400000000 ] - [ -0.0000231700000000, -0.0001992000000000, -0.0001041700000000 ] - [ 0.0000105100000000, -0.0001856900000000, 0.0001104300000000 ] - [ 0.0001055800000000, 0.0000788300000000, 0.0000454600000000 ] - [ 0.0000055700000000, -0.0003065900000000, -0.0001443400000000 ] - [ -0.0001386300000000, -0.0000172300000000, -0.0000429400000000 ] - [ 0.0000645700000000, -0.0000358500000000, 0.0000168900000000 ] - [ -0.0000310300000000, 0.0001211400000000, -0.0001913000000000 ] - [ 0.0000521300000000, -0.0001355600000000, -0.0000828400000000 ] - [ 0.0000167200000000, -0.0001159900000000, -0.0001905300000000 ] - [ 0.0039431400000000, 0.0005641200000000, -0.0027060200000000 ] - [ 0.0001713000000000, 0.0001224800000000, 0.0004905100000000 ] - [ -0.0000976500000000, 0.0001769400000000, -0.0003313500000000 ] - [ -0.0001169400000000, 0.0001042200000000, 0.0000864800000000 ] - [ 0.0001223800000000, -0.0000418100000000, -0.0001775900000000 ] - [ -0.0000082700000000, -0.0001337400000000, -0.0003290700000000 ] - [ -0.0000253800000000, -0.0000321600000000, -0.0005307700000000 ] - [ 0.0000119600000000, -0.0001726700000000, -0.0001124700000000 ] - [ 0.0000105200000000, -0.0002700800000000, -0.0000656000000000 ] - [ 0.0000680100000000, 0.0000376300000000, -0.0000190500000000 ] - [ -0.0000401800000000, -0.0000245800000000, -0.0002842600000000 ] - [ 0.0006016400000000, -0.0059549600000000, -0.0051698700000000 ] - [ 0.0001723400000000, -0.0001809300000000, 0.0001139200000000 ] - [ 0.0002926700000000, -0.0001483900000000, -0.0003476600000000 ] - [ 0.0003762100000000, -0.0001560200000000, -0.0003290800000000 ] - [ -0.0002677800000000, 0.0001820200000000, -0.0006800800000000 ] - [ -0.0029827300000000, -0.0138567200000000, 0.0017996100000000 ] - [ -0.0019365100000000, 0.0130551200000000, 0.0003024100000000 ] - [ -0.0011979400000000, -0.0000925800000000, 0.0016688100000000 ] - [ -0.0004496200000000, -0.0000775800000000, -0.0002932400000000 ] - [ -0.0001238600000000, -0.0000789500000000, -0.0006369300000000 ] - [ -0.0017421300000000, 0.0002723100000000, 0.0011768700000000 ] - [ 0.0000256300000000, 0.0001682200000000, -0.0007765800000000 ] - [ 0.0000771900000000, -0.0001722000000000, -0.0006880900000000 ] - [ -0.0001232500000000, -0.0002646900000000, -0.0003530300000000 ] - [ 0.0004004900000000, -0.0003375900000000, -0.0003310300000000 ] - [ 0.0000361400000000, -0.0001672700000000, -0.0001727100000000 ] - [ 0.0002862000000000, -0.0001279800000000, -0.0003555500000000 ] - [ -0.0001023600000000, -0.0000650700000000, -0.0003502200000000 ] - [ 0.0001089500000000, -0.0004100600000000, 0.0004300800000000 ] - [ 0.0006091400000000, 0.0000424900000000, -0.0027076400000000 ] - [ -0.0001880600000000, 0.0000599800000000, 0.0001805300000000 ] - [ 0.0004876200000000, 0.0002923100000000, -0.0025540000000000 ] - [ -0.0001017200000000, -0.0000647900000000, 0.0004416200000000 ] - [ 0.0000664400000000, -0.0002690100000000, 0.0000648200000000 ] - [ -0.0000408300000000, 0.0001281900000000, 0.0002905800000000 ] - [ -0.0000716300000000, 0.0002775800000000, 0.0005284400000000 ] - [ -0.0000954000000000, -0.0002233300000000, 0.0004000100000000 ] - [ 0.0000773600000000, -0.0002592800000000, 0.0001946900000000 ] - [ 0.0000030700000000, -0.0000527200000000, -0.0002437500000000 ] - [ 0.0000793700000000, -0.0002215700000000, -0.0001546400000000 ] - [ -0.0000690800000000, 0.0003802200000000, 0.0001895500000000 ] - [ -0.0000622300000000, -0.0001081300000000, 0.0004420200000000 ] - [ 0.0000687800000000, 0.0001678200000000, 0.0003287400000000 ] - [ 0.0000042200000000, 0.0000740400000000, -0.0000049100000000 ] - [ 0.0019955700000000, -0.0002347300000000, 0.0004002100000000 ] - [ 0.0000873400000000, 0.0002397500000000, -0.0003485200000000 ] - [ 0.0009187500000000, -0.0061826000000000, 0.0028598600000000 ] - [ -0.0002672700000000, -0.0001092300000000, 0.0006997600000000 ] - [ -0.0001224700000000, -0.0001000600000000, 0.0008921100000000 ] - [ 0.0024660500000000, 0.0005371500000000, -0.0003031000000000 ] - [ 0.0001617900000000, 0.0001384000000000, -0.0002403800000000 ] - [ 0.0001523500000000, -0.0002548400000000, 0.0008453600000000 ] - [ -0.0001539200000000, 0.0001573300000000, -0.0001597800000000 ] - [ -0.0004531100000000, -0.0007293000000000, -0.0000601100000000 ] - [ -0.0001871800000000, 0.0003377600000000, -0.0002672600000000 ] - [ -0.0002428100000000, 0.0000341000000000, 0.0001401200000000 ] - [ 0.0000473400000000, 0.0000732700000000, 0.0003512700000000 ] - [ -0.0000640900000000, -0.0004184100000000, 0.0001810300000000 ] - [ -0.0000180000000000, -0.0000933800000000, -0.0000496100000000 ] - [ -0.0000801700000000, -0.0004629100000000, 0.0004903000000000 ] - [ 0.0005395400000000, 0.0003477500000000, -0.0003833700000000 ] - [ 0.0002485400000000, -0.0001919200000000, 0.0008302200000000 ] - [ -0.0021167900000000, 0.0001108200000000, -0.0097950100000000 ] - [ -0.0001566500000000, -0.0005014900000000, 0.0003391100000000 ] - [ 0.0001808400000000, -0.0001311500000000, 0.0002125100000000 ] - [ -0.0004472600000000, 0.0010481100000000, 0.0001354200000000 ] - [ -0.0001555900000000, 0.0003289200000000, -0.0002828200000000 ] - [ -0.0000085600000000, 0.0001327900000000, 0.0003092300000000 ] - [ 0.0000692600000000, 0.0001982600000000, 0.0001082200000000 ] - [ 0.0001661900000000, -0.0002372900000000, 0.0000357200000000 ] - [ 0.0000743800000000, 0.0000382600000000, 0.0003428300000000 ] - [ 0.0013603700000000, 0.0035493800000000, -0.0044500200000000 ] - [ -0.0000080500000000, 0.0000522300000000, 0.0003378400000000 ] - [ -0.0001495600000000, 0.0002220200000000, -0.0001161200000000 ] - [ -0.0001113300000000, 0.0003065600000000, -0.0031241300000000 ] - [ -0.0000506400000000, -0.0002242600000000, 0.0001231200000000 ]- atom: 21 displacement: [ 0.0099999995909515, 0.0000000000000000, -0.0000028602394792 ] forces: - [ 0.0000045300000000, 0.0001232000000000, 0.0002187600000000 ] - [ -0.0002588500000000, -0.0002964300000000, -0.0000786200000000 ] - [ 0.0005448600000000, 0.0002897000000000, 0.0000595000000000 ] - [ -0.0009247800000000, 0.0001029500000000, -0.0001820100000000 ] - [ -0.0001570000000000, -0.0001246300000000, -0.0002197400000000 ] - [ -0.0001688100000000, 0.0005206500000000, -0.0000423300000000 ] - [ 0.0000248700000000, -0.0001568000000000, 0.0001290500000000 ] - [ 0.0005780200000000, -0.0003054900000000, 0.0000835900000000 ] - [ 0.0007054800000000, 0.0001016900000000, -0.0000370000000000 ] - [ 0.0005252400000000, 0.0001545100000000, 0.0000686100000000 ] - [ 0.0049082200000000, -0.0046972200000000, 0.0010387200000000 ] - [ 0.0000445400000000, 0.0007379500000000, 0.0001000300000000 ] - [ 0.0003063100000000, 0.0000621900000000, 0.0001065100000000 ] - [ 0.0000902700000000, -0.0000435400000000, 0.0002207900000000 ] - [ 0.0003265500000000, -0.0006421700000000, -0.0001527200000000 ] - [ -0.0000990700000000, 0.0001005700000000, -0.0000946200000000 ] - [ 0.0000551800000000, -0.0000771900000000, -0.0000819200000000 ] - [ -0.0000142200000000, 0.0000880400000000, 0.0002734500000000 ] - [ 0.0002303300000000, 0.0000783000000000, 0.0001031600000000 ] - [ -0.0002581600000000, 0.0002915500000000, 0.0000347600000000 ] - [ -0.0386053900000000, 0.0029553500000000, 0.0035478300000000 ] - [ -0.0000409000000000, -0.0000915100000000, 0.0000779600000000 ] - [ -0.0000096500000000, 0.0000153800000000, 0.0000028100000000 ] - [ 0.0009369700000000, 0.0001493700000000, 0.0000383800000000 ] - [ -0.0000013900000000, 0.0000110800000000, -0.0000200100000000 ] - [ -0.0000696200000000, -0.0002615700000000, 0.0001072100000000 ] - [ -0.0000046400000000, -0.0001889600000000, 0.0000041300000000 ] - [ -0.0000003800000000, -0.0001676800000000, 0.0002308200000000 ] - [ 0.0001231300000000, -0.0000713500000000, -0.0002485300000000 ] - [ -0.0000011600000000, -0.0002768400000000, -0.0000423200000000 ] - [ -0.0001114400000000, -0.0000198900000000, 0.0000606900000000 ] - [ 0.0000523100000000, 0.0000695100000000, -0.0001483900000000 ] - [ -0.0000520100000000, 0.0003009700000000, -0.0001690200000000 ] - [ 0.0000693100000000, -0.0001427100000000, 0.0000903100000000 ] - [ 0.0000247500000000, -0.0001105800000000, 0.0000029100000000 ] - [ -0.0006478000000000, 0.0000199600000000, -0.0000531500000000 ] - [ 0.0034769600000000, 0.0034642600000000, -0.0019128900000000 ] - [ -0.0000704300000000, 0.0002191700000000, -0.0002145000000000 ] - [ -0.0006151000000000, -0.0001193300000000, 0.0002109000000000 ] - [ 0.0001266800000000, -0.0000328400000000, -0.0000620300000000 ] - [ -0.0000111900000000, -0.0001843000000000, -0.0002543500000000 ] - [ -0.0000120200000000, 0.0000509500000000, -0.0001422000000000 ] - [ 0.0000157200000000, -0.0001791700000000, -0.0000014300000000 ] - [ -0.0000277400000000, -0.0002776000000000, 0.0000373700000000 ] - [ 0.0000317100000000, -0.0000392400000000, 0.0002119700000000 ] - [ -0.0000593300000000, -0.0000425600000000, -0.0001030700000000 ] - [ 0.0000260000000000, 0.0000343900000000, 0.0000019200000000 ] - [ -0.0025025500000000, 0.0001186900000000, 0.0001552300000000 ] - [ 0.0002179500000000, -0.0001197600000000, 0.0001085300000000 ] - [ 0.0003288300000000, -0.0001081300000000, 0.0001550800000000 ] - [ -0.0002626700000000, -0.0001105200000000, -0.0001541300000000 ] - [ 0.0127628500000000, -0.0042199700000000, 0.0050653900000000 ] - [ 0.0008980300000000, -0.0030761300000000, -0.0099579900000000 ] - [ 0.0147850800000000, 0.0052483400000000, -0.0054813200000000 ] - [ -0.0003223700000000, 0.0001493400000000, -0.0003354000000000 ] - [ -0.0002809500000000, -0.0000686700000000, -0.0001873600000000 ] - [ -0.0010563600000000, 0.0027508900000000, 0.0089158300000000 ] - [ 0.0000265800000000, -0.0000945600000000, -0.0002083600000000 ] - [ 0.0000131800000000, -0.0002550700000000, -0.0001013800000000 ] - [ -0.0000899900000000, -0.0002101800000000, 0.0001068900000000 ] - [ -0.0000155200000000, 0.0001187500000000, 0.0002031500000000 ] - [ 0.0007670000000000, -0.0000952400000000, 0.0001759800000000 ] - [ 0.0001688500000000, 0.0000850700000000, -0.0002241400000000 ] - [ -0.0000328200000000, -0.0000984900000000, 0.0002211900000000 ] - [ -0.0002822900000000, 0.0000202400000000, -0.0000199300000000 ] - [ 0.0007250400000000, -0.0004496900000000, -0.0022326600000000 ] - [ -0.0001712000000000, -0.0000167000000000, -0.0000416800000000 ] - [ 0.0001932600000000, 0.0002337000000000, -0.0002091200000000 ] - [ -0.0000394100000000, -0.0002735700000000, 0.0000421300000000 ] - [ 0.0000331800000000, -0.0001535200000000, -0.0000365700000000 ] - [ 0.0000047400000000, -0.0000795300000000, 0.0000842600000000 ] - [ -0.0001109400000000, 0.0001296900000000, 0.0002778900000000 ] - [ 0.0000217400000000, -0.0002222500000000, 0.0002730000000000 ] - [ 0.0000104600000000, -0.0001176600000000, -0.0000669800000000 ] - [ 0.0001430100000000, -0.0005816000000000, -0.0008588800000000 ] - [ 0.0000758200000000, -0.0002183400000000, -0.0002544300000000 ] - [ -0.0000573800000000, 0.0002505100000000, -0.0000580800000000 ] - [ -0.0000399600000000, -0.0001313900000000, 0.0001773900000000 ] - [ 0.0001084100000000, 0.0000356000000000, 0.0000709800000000 ] - [ -0.0002412300000000, 0.0001047800000000, -0.0006544200000000 ] - [ 0.0070173200000000, 0.0003136800000000, 0.0005366900000000 ] - [ -0.0007594200000000, 0.0000699100000000, 0.0000085800000000 ] - [ -0.0001060400000000, 0.0008413800000000, 0.0005563200000000 ] - [ -0.0000777000000000, -0.0001103000000000, -0.0000490900000000 ] - [ 0.0000493500000000, -0.0001043900000000, 0.0001380500000000 ] - [ -0.0061678800000000, 0.0002862400000000, 0.0000208800000000 ] - [ -0.0016953900000000, -0.0007391800000000, 0.0022986100000000 ] - [ -0.0000601300000000, -0.0002126800000000, -0.0000376100000000 ] - [ 0.0032996200000000, 0.0002102900000000, -0.0002160500000000 ] - [ -0.0004476900000000, 0.0002236000000000, 0.0008563200000000 ] - [ -0.0000300400000000, 0.0002189100000000, -0.0000419500000000 ] - [ 0.0000970700000000, 0.0000475300000000, 0.0001315400000000 ] - [ 0.0000032400000000, -0.0000851100000000, 0.0000730300000000 ] - [ 0.0000066400000000, -0.0002751600000000, -0.0000762400000000 ] - [ -0.0000098800000000, -0.0001003400000000, -0.0002192900000000 ] - [ -0.0000178700000000, -0.0002872000000000, 0.0000933300000000 ] - [ -0.0000013900000000, 0.0001530600000000, 0.0004295600000000 ] - [ 0.0000794200000000, -0.0002213800000000, 0.0000758300000000 ] - [ 0.0055614700000000, -0.0008549500000000, 0.0003647200000000 ] - [ 0.0001679600000000, -0.0000988800000000, -0.0000673800000000 ] - [ 0.0001230300000000, -0.0000077000000000, -0.0000921900000000 ] - [ -0.0026406900000000, 0.0007489000000000, -0.0024237200000000 ] - [ -0.0000659700000000, 0.0001782700000000, -0.0002326300000000 ] - [ 0.0000222700000000, -0.0000395800000000, 0.0001084900000000 ] - [ 0.0000821800000000, 0.0001213000000000, -0.0000789300000000 ] - [ -0.0002484500000000, -0.0002468000000000, -0.0000162100000000 ] - [ -0.0000449800000000, -0.0000782500000000, 0.0001348300000000 ] - [ -0.0002748300000000, 0.0008999500000000, -0.0008805300000000 ] - [ -0.0000361400000000, -0.0001058800000000, 0.0001441900000000 ] - [ -0.0002860700000000, -0.0010262900000000, 0.0009765700000000 ] - [ -0.0002918900000000, 0.0003628400000000, -0.0000675000000000 ] - [ -0.0000323600000000, -0.0000185200000000, -0.0001995700000000 ]- atom: 21 displacement: [ -0.0099999995909515, 0.0000000000000000, 0.0000028602394792 ] forces: - [ 0.0000171300000000, 0.0001271200000000, 0.0002174600000000 ] - [ -0.0002633000000000, -0.0002960700000000, -0.0000568100000000 ] - [ -0.0000236800000000, 0.0003016100000000, 0.0000740800000000 ] - [ 0.0009028300000000, 0.0001453700000000, -0.0002476800000000 ] - [ 0.0001341800000000, -0.0001261000000000, -0.0002180300000000 ] - [ -0.0003516600000000, 0.0000694400000000, -0.0000921200000000 ] - [ -0.0000039800000000, -0.0000941000000000, 0.0003068400000000 ] - [ -0.0000573200000000, -0.0002865400000000, 0.0000480600000000 ] - [ -0.0006685900000000, 0.0001177600000000, 0.0000486800000000 ] - [ -0.0004076500000000, 0.0001286100000000, 0.0001232200000000 ] - [ -0.0048659800000000, 0.0051932800000000, -0.0011011100000000 ] - [ -0.0000432300000000, -0.0007694100000000, -0.0001263700000000 ] - [ -0.0005645300000000, -0.0000103800000000, 0.0000126200000000 ] - [ 0.0000844400000000, -0.0001500900000000, -0.0000522100000000 ] - [ -0.0002070600000000, 0.0008098300000000, -0.0000102700000000 ] - [ -0.0000772600000000, 0.0000935700000000, -0.0000740300000000 ] - [ 0.0000636900000000, -0.0000906900000000, -0.0000833900000000 ] - [ -0.0000232900000000, -0.0003085900000000, -0.0002885100000000 ] - [ -0.0003498200000000, 0.0000885500000000, 0.0000604200000000 ] - [ 0.0002592300000000, 0.0002717900000000, 0.0000419600000000 ] - [ 0.0388303200000000, -0.0030155300000000, -0.0031937900000000 ] - [ -0.0000774400000000, -0.0000766000000000, 0.0000834300000000 ] - [ 0.0000071100000000, 0.0000180900000000, 0.0000235000000000 ] - [ -0.0009702000000000, 0.0002297800000000, -0.0000274100000000 ] - [ 0.0000024200000000, 0.0000225600000000, -0.0000073400000000 ] - [ -0.0000495100000000, -0.0000210600000000, -0.0002982000000000 ] - [ -0.0000291200000000, -0.0001838700000000, 0.0000063300000000 ] - [ 0.0000219600000000, -0.0001638900000000, 0.0002366200000000 ] - [ 0.0000523300000000, 0.0002672400000000, 0.0004158500000000 ] - [ -0.0000005400000000, -0.0002864300000000, -0.0000354300000000 ] - [ -0.0001460000000000, -0.0000330700000000, 0.0000593700000000 ] - [ 0.0000438100000000, -0.0001560200000000, 0.0003438900000000 ] - [ 0.0000287200000000, 0.0000305800000000, -0.0002993000000000 ] - [ 0.0000507100000000, -0.0001424400000000, 0.0001045800000000 ] - [ 0.0000118900000000, -0.0001074700000000, 0.0000105300000000 ] - [ 0.0005509000000000, 0.0000637100000000, -0.0001394100000000 ] - [ -0.0032475900000000, -0.0034523000000000, 0.0018140200000000 ] - [ -0.0000497100000000, 0.0000649500000000, 0.0000189900000000 ] - [ 0.0006129100000000, 0.0000890800000000, -0.0001922400000000 ] - [ 0.0001308600000000, -0.0000198700000000, -0.0000588400000000 ] - [ -0.0000110900000000, -0.0001480700000000, -0.0002144500000000 ] - [ -0.0000247100000000, 0.0001670800000000, 0.0001289700000000 ] - [ 0.0000169300000000, -0.0001941500000000, -0.0000093500000000 ] - [ 0.0000291900000000, -0.0002862300000000, 0.0000390000000000 ] - [ 0.0000643800000000, 0.0001226500000000, -0.0000179300000000 ] - [ -0.0000379600000000, -0.0000397600000000, -0.0000890600000000 ] - [ 0.0000078600000000, 0.0003397700000000, -0.0000132500000000 ] - [ 0.0023283200000000, -0.0002833200000000, -0.0002900100000000 ] - [ 0.0002262600000000, -0.0001127400000000, 0.0001605500000000 ] - [ 0.0002455100000000, -0.0001159000000000, 0.0001844500000000 ] - [ -0.0003111400000000, -0.0001116800000000, -0.0001872300000000 ] - [ -0.0130767700000000, 0.0044884800000000, -0.0046699600000000 ] - [ -0.0007518600000000, 0.0035334600000000, 0.0097556600000000 ] - [ -0.0140044000000000, -0.0049382100000000, 0.0057098900000000 ] - [ -0.0002511900000000, 0.0000741300000000, -0.0000105800000000 ] - [ -0.0001637800000000, -0.0001624300000000, -0.0000819200000000 ] - [ 0.0006245100000000, -0.0024863200000000, -0.0091262600000000 ] - [ 0.0001145600000000, -0.0000974000000000, -0.0002615700000000 ] - [ 0.0001732700000000, -0.0001583600000000, -0.0001661800000000 ] - [ -0.0000968900000000, -0.0002048500000000, 0.0001575900000000 ] - [ -0.0001778000000000, 0.0002888000000000, 0.0000635200000000 ] - [ -0.0003295500000000, 0.0003382600000000, 0.0000861800000000 ] - [ -0.0000266500000000, 0.0001078100000000, -0.0002445600000000 ] - [ -0.0001092600000000, -0.0000945800000000, 0.0002479400000000 ] - [ 0.0000800600000000, 0.0000272400000000, -0.0000471400000000 ] - [ -0.0006204200000000, 0.0007242800000000, 0.0020861400000000 ] - [ -0.0000317200000000, -0.0000305300000000, -0.0000247900000000 ] - [ -0.0001977900000000, -0.0000192700000000, 0.0000465700000000 ] - [ -0.0000001400000000, -0.0002554300000000, 0.0001346200000000 ] - [ 0.0000479300000000, -0.0000791300000000, -0.0002298700000000 ] - [ -0.0002370000000000, 0.0001065600000000, 0.0000582900000000 ] - [ 0.0000011700000000, 0.0000648300000000, 0.0001803300000000 ] - [ -0.0001765000000000, -0.0002189600000000, 0.0002492500000000 ] - [ -0.0000102900000000, -0.0001009000000000, -0.0000920200000000 ] - [ -0.0000625700000000, 0.0008093500000000, 0.0005915500000000 ] - [ 0.0000786500000000, -0.0002237700000000, -0.0002687700000000 ] - [ 0.0000980000000000, 0.0002813900000000, -0.0000369200000000 ] - [ -0.0000685100000000, -0.0000634000000000, 0.0002806500000000 ] - [ 0.0000926700000000, 0.0000122900000000, -0.0000047700000000 ] - [ 0.0002398800000000, 0.0001077300000000, 0.0008111300000000 ] - [ -0.0071673200000000, 0.0001303100000000, -0.0000231800000000 ] - [ 0.0008187500000000, 0.0000372800000000, 0.0001855500000000 ] - [ 0.0000502400000000, -0.0007443600000000, -0.0007518000000000 ] - [ -0.0000542400000000, -0.0000928300000000, -0.0001408600000000 ] - [ 0.0000814800000000, -0.0000987900000000, 0.0000521800000000 ] - [ 0.0062748900000000, -0.0000938300000000, -0.0004798900000000 ] - [ 0.0019925100000000, 0.0007710100000000, -0.0024527500000000 ] - [ -0.0000683300000000, -0.0002255200000000, -0.0000280800000000 ] - [ -0.0033834300000000, 0.0000275400000000, 0.0004826300000000 ] - [ 0.0004108200000000, 0.0003014500000000, -0.0006830400000000 ] - [ 0.0001578900000000, 0.0002186900000000, 0.0001067200000000 ] - [ -0.0003296500000000, -0.0000759000000000, 0.0000088300000000 ] - [ -0.0000041300000000, -0.0000824800000000, 0.0001166300000000 ] - [ 0.0000318000000000, -0.0002553800000000, -0.0001004800000000 ] - [ 0.0001160500000000, -0.0000947700000000, -0.0002399700000000 ] - [ -0.0000239300000000, -0.0002451000000000, 0.0000013000000000 ] - [ 0.0001291700000000, 0.0000497900000000, -0.0002299900000000 ] - [ 0.0000493700000000, -0.0002166900000000, -0.0000091600000000 ] - [ -0.0061752700000000, 0.0014588700000000, -0.0003260200000000 ] - [ -0.0001674500000000, -0.0000680200000000, -0.0001238500000000 ] - [ 0.0001091800000000, -0.0000201600000000, -0.0000502900000000 ] - [ 0.0025897800000000, -0.0002149500000000, 0.0025412800000000 ] - [ 0.0002355300000000, 0.0002641000000000, -0.0002911700000000 ] - [ 0.0000353700000000, -0.0000591600000000, 0.0000881300000000 ] - [ -0.0000811900000000, 0.0000464100000000, -0.0001110200000000 ] - [ 0.0002896900000000, -0.0002860800000000, -0.0000795000000000 ] - [ 0.0000440500000000, -0.0001385200000000, 0.0000240000000000 ] - [ 0.0004763600000000, -0.0009541600000000, 0.0009500200000000 ] - [ -0.0000455300000000, -0.0001258200000000, 0.0001219900000000 ] - [ 0.0002839400000000, 0.0011892300000000, -0.0007848300000000 ] - [ 0.0003305900000000, 0.0001683300000000, -0.0001098300000000 ] - [ -0.0000261500000000, -0.0000816300000000, 0.0000028300000000 ]- atom: 21 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000318900000000, 0.0001012300000000, 0.0001245000000000 ] - [ -0.0002439300000000, -0.0003079400000000, -0.0001740400000000 ] - [ 0.0002568900000000, 0.0003608000000000, 0.0002088200000000 ] - [ 0.0000094200000000, -0.0001454400000000, -0.0010765000000000 ] - [ -0.0000101500000000, -0.0001172700000000, -0.0000765900000000 ] - [ 0.0002270900000000, 0.0005990300000000, 0.0003865300000000 ] - [ -0.0001793900000000, 0.0000989700000000, 0.0005280400000000 ] - [ 0.0002544800000000, -0.0003535400000000, -0.0001357200000000 ] - [ 0.0000406900000000, -0.0001550200000000, 0.0001199200000000 ] - [ 0.0000953100000000, 0.0005165400000000, 0.0002386400000000 ] - [ -0.0050437300000000, 0.0020658300000000, -0.0007299600000000 ] - [ 0.0006638000000000, 0.0013052000000000, 0.0002986600000000 ] - [ -0.0001438900000000, 0.0002986300000000, 0.0000580200000000 ] - [ 0.0000470100000000, 0.0000502000000000, 0.0001387800000000 ] - [ -0.0007234300000000, 0.0013140400000000, 0.0001075800000000 ] - [ -0.0000766300000000, 0.0001798800000000, -0.0001647900000000 ] - [ 0.0000599100000000, -0.0001064900000000, -0.0001022700000000 ] - [ 0.0000283500000000, -0.0002111000000000, 0.0000217800000000 ] - [ -0.0000737000000000, -0.0001725000000000, 0.0000377800000000 ] - [ 0.0000298200000000, 0.0008742500000000, 0.0002163900000000 ] - [ 0.0030034900000000, -0.0221894400000000, -0.0022322500000000 ] - [ -0.0000634900000000, -0.0000477000000000, 0.0000497300000000 ] - [ -0.0000028100000000, 0.0000627900000000, -0.0000200900000000 ] - [ -0.0000336300000000, -0.0001069200000000, 0.0000580400000000 ] - [ 0.0000000700000000, -0.0000092500000000, -0.0000379400000000 ] - [ -0.0000397900000000, 0.0000145800000000, -0.0002532600000000 ] - [ -0.0000180600000000, -0.0001744600000000, -0.0000181800000000 ] - [ 0.0000126100000000, -0.0001485500000000, 0.0002187700000000 ] - [ 0.0000218800000000, -0.0000049800000000, 0.0000910100000000 ] - [ -0.0000032600000000, -0.0002573200000000, -0.0000609200000000 ] - [ -0.0001298400000000, -0.0000588100000000, 0.0000364300000000 ] - [ 0.0000233600000000, 0.0001031800000000, -0.0000753300000000 ] - [ -0.0001458300000000, 0.0003391400000000, -0.0003743200000000 ] - [ 0.0000536700000000, -0.0001878700000000, 0.0000596500000000 ] - [ 0.0000143500000000, -0.0000585600000000, -0.0000315000000000 ] - [ -0.0001212800000000, 0.0016809300000000, -0.0008396800000000 ] - [ 0.0037052100000000, 0.0011675900000000, -0.0014408500000000 ] - [ -0.0000196700000000, -0.0000314100000000, -0.0000404600000000 ] - [ -0.0001227500000000, -0.0001283500000000, -0.0017684100000000 ] - [ 0.0001332300000000, 0.0000001300000000, -0.0000821000000000 ] - [ -0.0000288600000000, -0.0001772000000000, -0.0002294600000000 ] - [ 0.0000131100000000, 0.0002702200000000, 0.0000606800000000 ] - [ 0.0000234400000000, -0.0002046800000000, -0.0000157200000000 ] - [ 0.0000059900000000, -0.0003334300000000, 0.0000294600000000 ] - [ 0.0000084300000000, -0.0001117400000000, 0.0001442400000000 ] - [ -0.0000432900000000, -0.0001154800000000, -0.0001595200000000 ] - [ 0.0001789600000000, 0.0004853700000000, -0.0001295200000000 ] - [ -0.0000524900000000, 0.0033901600000000, 0.0063053000000000 ] - [ 0.0002065200000000, -0.0000962100000000, 0.0001359200000000 ] - [ 0.0002750400000000, -0.0001357300000000, 0.0000949900000000 ] - [ -0.0002128200000000, 0.0001954300000000, -0.0001101900000000 ] - [ -0.0034545000000000, -0.0024820100000000, -0.0024346300000000 ] - [ -0.0036022600000000, -0.0002725000000000, 0.0039754100000000 ] - [ 0.0049202900000000, -0.0022882700000000, -0.0029744200000000 ] - [ -0.0001013200000000, 0.0001976800000000, -0.0016351800000000 ] - [ -0.0001884900000000, -0.0001571200000000, -0.0002398500000000 ] - [ 0.0028431000000000, -0.0002572400000000, 0.0037436000000000 ] - [ 0.0001944300000000, -0.0000089400000000, -0.0002438200000000 ] - [ 0.0000662000000000, -0.0002436500000000, -0.0002345900000000 ] - [ -0.0001170100000000, -0.0001968100000000, 0.0000841100000000 ] - [ -0.0015371900000000, 0.0002856400000000, -0.0001094300000000 ] - [ -0.0009145300000000, 0.0067109600000000, -0.0016021700000000 ] - [ 0.0001884100000000, 0.0000717200000000, -0.0006692300000000 ] - [ -0.0000765100000000, -0.0000969800000000, 0.0001724600000000 ] - [ -0.0000965400000000, -0.0002911100000000, 0.0000534500000000 ] - [ -0.0008868900000000, 0.0017606000000000, 0.0002103500000000 ] - [ -0.0001532900000000, 0.0002926200000000, 0.0000482600000000 ] - [ -0.0013479500000000, -0.0037301300000000, -0.0019144500000000 ] - [ -0.0000465700000000, -0.0002493200000000, 0.0002078900000000 ] - [ 0.0000491800000000, -0.0000707900000000, -0.0000954000000000 ] - [ 0.0001513900000000, -0.0005801800000000, 0.0004326000000000 ] - [ -0.0004704200000000, 0.0000419300000000, 0.0002761600000000 ] - [ -0.0000789600000000, -0.0002228000000000, 0.0003542200000000 ] - [ 0.0000044300000000, -0.0000942600000000, -0.0000279100000000 ] - [ -0.0000890300000000, -0.0005953700000000, -0.0003992300000000 ] - [ 0.0001093200000000, -0.0002189900000000, -0.0002292500000000 ] - [ -0.0000340200000000, -0.0000405800000000, 0.0000825000000000 ] - [ -0.0001886200000000, -0.0000977500000000, 0.0001217400000000 ] - [ 0.0001018000000000, 0.0001115700000000, 0.0000325000000000 ] - [ -0.0002223700000000, 0.0012186700000000, -0.0002940100000000 ] - [ -0.0001462400000000, 0.0019943900000000, -0.0009289200000000 ] - [ 0.0000990300000000, 0.0006551800000000, 0.0000305200000000 ] - [ 0.0001409900000000, -0.0006420400000000, -0.0003335500000000 ] - [ -0.0001049800000000, -0.0001037700000000, 0.0000532700000000 ] - [ 0.0000640200000000, -0.0001024900000000, 0.0000846000000000 ] - [ 0.0000173800000000, 0.0002854600000000, -0.0002815000000000 ] - [ 0.0017919100000000, 0.0035894100000000, -0.0002509900000000 ] - [ -0.0000287200000000, -0.0002274200000000, 0.0001051000000000 ] - [ 0.0009269900000000, 0.0014937800000000, 0.0010599100000000 ] - [ 0.0002367000000000, 0.0014114300000000, -0.0002910400000000 ] - [ 0.0002556700000000, 0.0001948400000000, 0.0007248400000000 ] - [ -0.0001496700000000, -0.0002076100000000, -0.0003612500000000 ] - [ 0.0000117800000000, 0.0000221900000000, 0.0001131100000000 ] - [ 0.0000085200000000, -0.0002514400000000, -0.0000399700000000 ] - [ 0.0000633400000000, -0.0000965000000000, -0.0002547500000000 ] - [ -0.0000296400000000, -0.0003643100000000, 0.0000494500000000 ] - [ -0.0005768900000000, -0.0000600400000000, 0.0029757800000000 ] - [ 0.0000853500000000, -0.0002114400000000, 0.0001237500000000 ] - [ -0.0010340000000000, 0.0024990200000000, 0.0005712800000000 ] - [ 0.0000453400000000, -0.0004133800000000, 0.0000143400000000 ] - [ 0.0001189600000000, -0.0001106800000000, -0.0000574500000000 ] - [ -0.0016703400000000, 0.0030155200000000, -0.0000223500000000 ] - [ 0.0029384600000000, -0.0000925300000000, -0.0002080200000000 ] - [ 0.0000241700000000, -0.0000715200000000, 0.0001331600000000 ] - [ 0.0001310600000000, 0.0005701900000000, 0.0001541100000000 ] - [ 0.0000282700000000, -0.0001753300000000, -0.0001210200000000 ] - [ 0.0000255300000000, -0.0000898400000000, 0.0002046600000000 ] - [ 0.0016691200000000, 0.0000055400000000, 0.0004720300000000 ] - [ -0.0000376300000000, -0.0001550900000000, 0.0001630700000000 ] - [ -0.0018819800000000, 0.0002556800000000, 0.0005365800000000 ] - [ 0.0001623800000000, -0.0004319300000000, -0.0004423000000000 ] - [ -0.0000345000000000, -0.0000086200000000, -0.0000582500000000 ]- atom: 21 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000539400000000, 0.0001505200000000, 0.0003118400000000 ] - [ -0.0002786900000000, -0.0002852300000000, 0.0000383700000000 ] - [ 0.0002648500000000, 0.0002328300000000, -0.0000760000000000 ] - [ -0.0000305300000000, 0.0003928000000000, 0.0006462200000000 ] - [ -0.0000110500000000, -0.0001346800000000, -0.0003590400000000 ] - [ -0.0007534000000000, -0.0000064100000000, -0.0005239500000000 ] - [ 0.0002026300000000, -0.0003514200000000, -0.0000951900000000 ] - [ 0.0002672800000000, -0.0002408500000000, 0.0002718400000000 ] - [ -0.0000025500000000, 0.0003793100000000, -0.0001082400000000 ] - [ 0.0000219600000000, -0.0002347300000000, -0.0000540200000000 ] - [ 0.0050843700000000, -0.0014951400000000, 0.0006556300000000 ] - [ -0.0006448900000000, -0.0013284400000000, -0.0003231500000000 ] - [ -0.0001138100000000, -0.0002467800000000, 0.0000633900000000 ] - [ 0.0001292500000000, -0.0002435900000000, 0.0000305000000000 ] - [ 0.0008269700000000, -0.0011384100000000, -0.0002685500000000 ] - [ -0.0000990600000000, 0.0000136600000000, -0.0000038100000000 ] - [ 0.0000560100000000, -0.0000610300000000, -0.0000614500000000 ] - [ -0.0000672600000000, -0.0000081100000000, -0.0000335700000000 ] - [ -0.0000457300000000, 0.0003413900000000, 0.0001284500000000 ] - [ -0.0000276300000000, -0.0003083800000000, -0.0001318100000000 ] - [ -0.0029622500000000, 0.0231880900000000, 0.0025946100000000 ] - [ -0.0000559800000000, -0.0001213500000000, 0.0001154300000000 ] - [ -0.0000022400000000, -0.0000312500000000, 0.0000497700000000 ] - [ 0.0000000400000000, 0.0004792200000000, -0.0000474200000000 ] - [ 0.0000049300000000, 0.0000418700000000, 0.0000093200000000 ] - [ -0.0000793800000000, -0.0002989300000000, 0.0000653600000000 ] - [ -0.0000152700000000, -0.0001925100000000, 0.0000292900000000 ] - [ 0.0000100600000000, -0.0001790900000000, 0.0002490300000000 ] - [ 0.0001545200000000, 0.0002035000000000, 0.0000783700000000 ] - [ 0.0000013000000000, -0.0003083000000000, -0.0000187600000000 ] - [ -0.0001269100000000, 0.0000055600000000, 0.0000855500000000 ] - [ 0.0000744700000000, -0.0001908600000000, 0.0002733600000000 ] - [ 0.0001230000000000, -0.0000122000000000, -0.0000929700000000 ] - [ 0.0000649900000000, -0.0000961500000000, 0.0001277200000000 ] - [ 0.0000229700000000, -0.0001599200000000, 0.0000423800000000 ] - [ 0.0000255100000000, -0.0015788900000000, 0.0006255300000000 ] - [ -0.0034739900000000, -0.0011092000000000, 0.0013285000000000 ] - [ -0.0001010700000000, 0.0003176600000000, -0.0001508000000000 ] - [ 0.0001167700000000, 0.0001017500000000, 0.0018070000000000 ] - [ 0.0001240400000000, -0.0000562300000000, -0.0000425800000000 ] - [ 0.0000058500000000, -0.0001515200000000, -0.0002388500000000 ] - [ -0.0000505300000000, -0.0000516700000000, -0.0000706900000000 ] - [ 0.0000095500000000, -0.0001647800000000, 0.0000045500000000 ] - [ -0.0000038000000000, -0.0002329100000000, 0.0000509500000000 ] - [ 0.0000899500000000, 0.0001934700000000, 0.0000486800000000 ] - [ -0.0000533800000000, 0.0000335000000000, -0.0000353000000000 ] - [ -0.0001469900000000, -0.0001173300000000, 0.0001199900000000 ] - [ -0.0001246600000000, -0.0035942800000000, -0.0065420100000000 ] - [ 0.0002389800000000, -0.0001383400000000, 0.0001349200000000 ] - [ 0.0002984700000000, -0.0000895800000000, 0.0002481400000000 ] - [ -0.0003603700000000, -0.0004189800000000, -0.0002339100000000 ] - [ 0.0033340300000000, 0.0026340100000000, 0.0029323300000000 ] - [ 0.0037909100000000, 0.0006570700000000, -0.0042537900000000 ] - [ -0.0043612500000000, 0.0024608400000000, 0.0033346400000000 ] - [ -0.0004752300000000, 0.0000281900000000, 0.0012991800000000 ] - [ -0.0002569000000000, -0.0000743000000000, -0.0000313200000000 ] - [ -0.0032889500000000, 0.0004647500000000, -0.0040216600000000 ] - [ -0.0000537500000000, -0.0001821900000000, -0.0002298800000000 ] - [ 0.0001225300000000, -0.0001724400000000, -0.0000351400000000 ] - [ -0.0000711700000000, -0.0002198400000000, 0.0001848900000000 ] - [ 0.0013546700000000, 0.0001303700000000, 0.0003781400000000 ] - [ 0.0013745200000000, -0.0065222600000000, 0.0018972700000000 ] - [ -0.0000446000000000, 0.0001243000000000, 0.0001983100000000 ] - [ -0.0000662100000000, -0.0000985300000000, 0.0003012800000000 ] - [ -0.0001027200000000, 0.0003384500000000, -0.0001180300000000 ] - [ 0.0007876200000000, -0.0015429500000000, -0.0003946800000000 ] - [ -0.0000444700000000, -0.0003432000000000, -0.0001142500000000 ] - [ 0.0013446400000000, 0.0039334100000000, 0.0017458200000000 ] - [ 0.0000025300000000, -0.0002750000000000, -0.0000247200000000 ] - [ 0.0000299900000000, -0.0001607600000000, -0.0001687600000000 ] - [ -0.0003869900000000, 0.0006130700000000, -0.0002911800000000 ] - [ 0.0003650200000000, 0.0001534600000000, 0.0001832500000000 ] - [ -0.0000762800000000, -0.0002184100000000, 0.0001680100000000 ] - [ -0.0000074600000000, -0.0001214600000000, -0.0001366100000000 ] - [ 0.0001690600000000, 0.0008362900000000, 0.0001374600000000 ] - [ 0.0000466400000000, -0.0002222800000000, -0.0002939300000000 ] - [ 0.0000762800000000, 0.0005737300000000, -0.0001751800000000 ] - [ 0.0000821800000000, -0.0000960400000000, 0.0003385500000000 ] - [ 0.0000950500000000, -0.0000627600000000, 0.0000347000000000 ] - [ 0.0002262900000000, -0.0010084400000000, 0.0004617500000000 ] - [ -0.0000070600000000, -0.0015353100000000, 0.0014665500000000 ] - [ -0.0000418100000000, -0.0005563500000000, 0.0001638800000000 ] - [ -0.0001973000000000, 0.0007505300000000, 0.0001403400000000 ] - [ -0.0000266200000000, -0.0000980600000000, -0.0002468400000000 ] - [ 0.0000667900000000, -0.0000987900000000, 0.0001119600000000 ] - [ 0.0000904000000000, -0.0000853400000000, -0.0001793700000000 ] - [ -0.0015403500000000, -0.0035730800000000, 0.0001024800000000 ] - [ -0.0001000400000000, -0.0002097300000000, -0.0001753700000000 ] - [ -0.0010390000000000, -0.0018383100000000, -0.0007178200000000 ] - [ -0.0002814100000000, -0.0008916600000000, 0.0004776000000000 ] - [ -0.0001274400000000, 0.0002431700000000, -0.0006563200000000 ] - [ -0.0000852600000000, 0.0001783000000000, 0.0005052000000000 ] - [ -0.0000078700000000, -0.0001862500000000, 0.0000780000000000 ] - [ 0.0000349100000000, -0.0002734000000000, -0.0001422800000000 ] - [ 0.0000431300000000, -0.0000974300000000, -0.0002050200000000 ] - [ -0.0000130700000000, -0.0001653200000000, 0.0000445800000000 ] - [ 0.0007067800000000, 0.0002695700000000, -0.0027950300000000 ] - [ 0.0000441400000000, -0.0002252800000000, -0.0000522700000000 ] - [ 0.0008657000000000, -0.0020594600000000, -0.0006324500000000 ] - [ -0.0000482500000000, 0.0002500700000000, -0.0002033800000000 ] - [ 0.0001153900000000, 0.0000828600000000, -0.0000834100000000 ] - [ 0.0016141400000000, -0.0024967900000000, 0.0001079300000000 ] - [ -0.0027901800000000, 0.0005400400000000, -0.0003183600000000 ] - [ 0.0000311400000000, -0.0000255900000000, 0.0000623500000000 ] - [ -0.0001351700000000, -0.0004109100000000, -0.0003461300000000 ] - [ 0.0000144400000000, -0.0003587800000000, 0.0000260000000000 ] - [ -0.0000232800000000, -0.0001256300000000, -0.0000404100000000 ] - [ -0.0014570700000000, -0.0000432800000000, -0.0004026400000000 ] - [ -0.0000411800000000, -0.0000742100000000, 0.0001022800000000 ] - [ 0.0018666800000000, -0.0000803800000000, -0.0003420100000000 ] - [ -0.0001176100000000, 0.0009597800000000, 0.0002578700000000 ] - [ -0.0000208900000000, -0.0000897400000000, -0.0001369700000000 ]- atom: 21 displacement: [ -0.0000185648863736, 0.0000000000000000, 0.0099999827672348 ] forces: - [ 0.0000192300000000, 0.0001418600000000, 0.0004668300000000 ] - [ -0.0002561000000000, -0.0002688800000000, 0.0001727200000000 ] - [ 0.0002800300000000, 0.0003156200000000, 0.0004100400000000 ] - [ 0.0000034200000000, -0.0006840900000000, 0.0024373900000000 ] - [ -0.0000365400000000, -0.0000735000000000, 0.0002079600000000 ] - [ -0.0002908300000000, 0.0004996600000000, -0.0004887500000000 ] - [ -0.0000060600000000, -0.0000535000000000, -0.0000404200000000 ] - [ 0.0002725300000000, -0.0003707500000000, 0.0003581100000000 ] - [ -0.0000280400000000, 0.0004988200000000, -0.0002712800000000 ] - [ 0.0000115100000000, -0.0001452900000000, -0.0001048600000000 ] - [ 0.0011246300000000, -0.0004260500000000, -0.0018555500000000 ] - [ 0.0001551800000000, 0.0000501700000000, -0.0005701200000000 ] - [ -0.0001376500000000, 0.0001893800000000, -0.0000676100000000 ] - [ 0.0001001900000000, -0.0000593400000000, 0.0003444300000000 ] - [ -0.0000660600000000, 0.0000934900000000, -0.0006440400000000 ] - [ -0.0001016300000000, 0.0001016500000000, 0.0001215700000000 ] - [ 0.0000679500000000, -0.0000957500000000, 0.0000420300000000 ] - [ 0.0000526200000000, 0.0000508800000000, 0.0002263700000000 ] - [ -0.0000569300000000, -0.0001252800000000, 0.0000409000000000 ] - [ 0.0000013000000000, 0.0007058600000000, 0.0001953700000000 ] - [ 0.0034420000000000, -0.0023033400000000, -0.0222979300000000 ] - [ -0.0000510200000000, -0.0001043700000000, 0.0001803200000000 ] - [ -0.0000123700000000, -0.0000214100000000, 0.0001537700000000 ] - [ -0.0000549900000000, 0.0001271700000000, -0.0003948700000000 ] - [ -0.0000144600000000, 0.0000084600000000, 0.0001131200000000 ] - [ -0.0000084900000000, -0.0002627000000000, 0.0000382800000000 ] - [ -0.0000127600000000, -0.0001808100000000, 0.0001228000000000 ] - [ 0.0000083700000000, -0.0001490600000000, 0.0003766900000000 ] - [ -0.0000419900000000, 0.0002591600000000, 0.0003979700000000 ] - [ -0.0000088900000000, -0.0002669700000000, 0.0000764900000000 ] - [ -0.0001226300000000, -0.0000080400000000, 0.0001629500000000 ] - [ -0.0000200600000000, -0.0001773500000000, 0.0002694000000000 ] - [ 0.0000536000000000, 0.0003053700000000, -0.0002261000000000 ] - [ 0.0000706000000000, -0.0001491200000000, 0.0002601400000000 ] - [ 0.0000285600000000, -0.0001021600000000, 0.0001849800000000 ] - [ 0.0000202900000000, -0.0009517000000000, -0.0001787000000000 ] - [ -0.0017251400000000, -0.0012752900000000, -0.0008516400000000 ] - [ -0.0000827000000000, 0.0000829100000000, 0.0001520100000000 ] - [ 0.0001830600000000, -0.0015846000000000, 0.0023268700000000 ] - [ 0.0001386100000000, -0.0000247500000000, 0.0000546400000000 ] - [ -0.0000314200000000, -0.0001597800000000, -0.0001373900000000 ] - [ -0.0000351000000000, 0.0001627500000000, 0.0002503500000000 ] - [ 0.0000275600000000, -0.0001809700000000, 0.0000878000000000 ] - [ -0.0000031000000000, -0.0002534200000000, 0.0001744300000000 ] - [ 0.0000764300000000, -0.0000265500000000, 0.0003489500000000 ] - [ -0.0000618000000000, -0.0000621900000000, 0.0001189000000000 ] - [ -0.0000602100000000, 0.0003252100000000, -0.0001126200000000 ] - [ -0.0000226600000000, 0.0064870400000000, 0.0044801000000000 ] - [ 0.0001474900000000, -0.0000863300000000, 0.0005688900000000 ] - [ 0.0002147900000000, -0.0000735200000000, 0.0007458900000000 ] - [ -0.0001040400000000, -0.0000210300000000, 0.0002586200000000 ] - [ 0.0051268500000000, -0.0029256700000000, -0.0042852700000000 ] - [ -0.0101707300000000, 0.0035644000000000, 0.0034929200000000 ] - [ -0.0058193200000000, -0.0033110800000000, -0.0044502900000000 ] - [ -0.0003386800000000, -0.0000374200000000, -0.0000173600000000 ] - [ -0.0003666400000000, -0.0001434200000000, 0.0004472400000000 ] - [ 0.0090195500000000, 0.0031907100000000, 0.0032076700000000 ] - [ 0.0001162400000000, -0.0000514500000000, 0.0000794400000000 ] - [ 0.0002057800000000, -0.0002742100000000, 0.0004526200000000 ] - [ -0.0000810700000000, -0.0001630800000000, 0.0005088700000000 ] - [ 0.0002107500000000, 0.0002224900000000, -0.0001376400000000 ] - [ 0.0006136200000000, -0.0011326000000000, 0.0009045700000000 ] - [ -0.0000970600000000, 0.0001034500000000, -0.0003519300000000 ] - [ -0.0000111600000000, -0.0000702300000000, 0.0008346300000000 ] - [ -0.0001081200000000, 0.0001949900000000, -0.0001132800000000 ] - [ -0.0024451400000000, -0.0004752900000000, 0.0078465600000000 ] - [ -0.0000919700000000, 0.0000424800000000, -0.0002150400000000 ] - [ 0.0001522000000000, 0.0006453400000000, 0.0005125100000000 ] - [ 0.0000437800000000, -0.0003821000000000, -0.0002227600000000 ] - [ 0.0000390000000000, 0.0000310700000000, -0.0003882600000000 ] - [ -0.0001540200000000, 0.0000160000000000, -0.0002108300000000 ] - [ 0.0001618500000000, 0.0000804700000000, 0.0000846900000000 ] - [ -0.0000877600000000, -0.0002323100000000, -0.0000152900000000 ] - [ -0.0000702400000000, 0.0000184600000000, -0.0003432400000000 ] - [ -0.0004647400000000, -0.0002398200000000, -0.0001323100000000 ] - [ 0.0001004700000000, -0.0002253900000000, -0.0003660600000000 ] - [ 0.0000101700000000, 0.0001972500000000, -0.0002427800000000 ] - [ -0.0002088300000000, -0.0000906400000000, 0.0002776400000000 ] - [ 0.0001888200000000, -0.0001420800000000, -0.0002933300000000 ] - [ -0.0005196700000000, 0.0000517300000000, -0.0001747100000000 ] - [ -0.0000427000000000, -0.0013713200000000, -0.0011394600000000 ] - [ 0.0000577100000000, -0.0001313500000000, 0.0006373500000000 ] - [ 0.0004487200000000, -0.0003578500000000, -0.0000839700000000 ] - [ 0.0001694900000000, -0.0000915900000000, -0.0010168200000000 ] - [ 0.0002462500000000, -0.0001179800000000, -0.0006418900000000 ] - [ 0.0003950300000000, 0.0004239700000000, 0.0004140700000000 ] - [ 0.0045760400000000, 0.0017274400000000, 0.0004045000000000 ] - [ -0.0002982700000000, -0.0001808200000000, -0.0009557100000000 ] - [ -0.0005488200000000, 0.0003337100000000, 0.0032002200000000 ] - [ 0.0005307700000000, 0.0001805000000000, -0.0000600600000000 ] - [ 0.0001296500000000, 0.0001444500000000, 0.0003929300000000 ] - [ -0.0001560200000000, -0.0005632700000000, -0.0003531800000000 ] - [ -0.0000710200000000, -0.0002574700000000, -0.0002021400000000 ] - [ 0.0000872200000000, -0.0001462200000000, -0.0003296400000000 ] - [ 0.0000959500000000, -0.0000979400000000, -0.0004018100000000 ] - [ 0.0000744500000000, -0.0001190600000000, -0.0003134200000000 ] - [ 0.0002109000000000, 0.0000108300000000, -0.0001501700000000 ] - [ -0.0000868700000000, -0.0002488500000000, -0.0005811800000000 ] - [ 0.0011951600000000, 0.0003405100000000, 0.0078434200000000 ] - [ 0.0000026200000000, 0.0002283800000000, -0.0001870600000000 ] - [ 0.0000122400000000, 0.0001204200000000, -0.0004151900000000 ] - [ -0.0045488400000000, 0.0016179400000000, -0.0004356500000000 ] - [ -0.0003742100000000, 0.0002579800000000, -0.0000711900000000 ] - [ 0.0000568100000000, -0.0001810900000000, -0.0000934400000000 ] - [ 0.0000102900000000, 0.0002360300000000, -0.0003831100000000 ] - [ 0.0000669800000000, -0.0005876900000000, -0.0002162000000000 ] - [ -0.0000593500000000, -0.0002272000000000, -0.0002553000000000 ] - [ -0.0010402600000000, 0.0000941400000000, 0.0000419800000000 ] - [ -0.0000649600000000, -0.0002518600000000, -0.0000685800000000 ] - [ 0.0009916300000000, 0.0004906300000000, -0.0000185600000000 ] - [ -0.0000497400000000, 0.0004726600000000, 0.0004240700000000 ] - [ -0.0000170600000000, 0.0001123500000000, -0.0003599700000000 ]- atom: 21 displacement: [ 0.0000185648863736, 0.0000000000000000, -0.0099999827672348 ] forces: - [ 0.0000031600000000, 0.0001085200000000, -0.0000306500000000 ] - [ -0.0002658500000000, -0.0003226700000000, -0.0003042700000000 ] - [ 0.0002414500000000, 0.0002754000000000, -0.0002796800000000 ] - [ -0.0000256500000000, 0.0009475100000000, -0.0029081700000000 ] - [ 0.0000143300000000, -0.0001776100000000, -0.0006443600000000 ] - [ -0.0002296200000000, 0.0000895000000000, 0.0003611500000000 ] - [ 0.0000282100000000, -0.0001978300000000, 0.0004793000000000 ] - [ 0.0002484900000000, -0.0002219400000000, -0.0002261700000000 ] - [ 0.0000638500000000, -0.0002764500000000, 0.0002864400000000 ] - [ 0.0001045000000000, 0.0004269000000000, 0.0002885300000000 ] - [ -0.0011499700000000, 0.0010046100000000, 0.0017674900000000 ] - [ -0.0001595300000000, -0.0000869400000000, 0.0005442900000000 ] - [ -0.0001201100000000, -0.0001376800000000, 0.0001860800000000 ] - [ 0.0000751300000000, -0.0001333600000000, -0.0001739300000000 ] - [ 0.0001851200000000, 0.0000737500000000, 0.0004773800000000 ] - [ -0.0000741700000000, 0.0000924200000000, -0.0002924800000000 ] - [ 0.0000469700000000, -0.0000735000000000, -0.0002082400000000 ] - [ -0.0000929500000000, -0.0002708800000000, -0.0002423800000000 ] - [ -0.0000578300000000, 0.0002937700000000, 0.0001246500000000 ] - [ 0.0000005500000000, -0.0001436200000000, -0.0001203200000000 ] - [ -0.0034380300000000, 0.0025415700000000, 0.0225154300000000 ] - [ -0.0000650200000000, -0.0000654000000000, -0.0000124600000000 ] - [ 0.0000139000000000, 0.0000568500000000, -0.0001294800000000 ] - [ 0.0000215800000000, 0.0002449600000000, 0.0004031300000000 ] - [ 0.0000133300000000, 0.0000259400000000, -0.0001391400000000 ] - [ -0.0001116700000000, -0.0000208400000000, -0.0002238500000000 ] - [ -0.0000205000000000, -0.0001914000000000, -0.0001136700000000 ] - [ 0.0000136200000000, -0.0001828200000000, 0.0000911300000000 ] - [ 0.0002207200000000, -0.0000625200000000, -0.0002296700000000 ] - [ 0.0000069300000000, -0.0002944600000000, -0.0001515400000000 ] - [ -0.0001338900000000, -0.0000437900000000, -0.0000420600000000 ] - [ 0.0001183900000000, 0.0000940000000000, -0.0000776900000000 ] - [ -0.0000761400000000, 0.0000275800000000, -0.0002431000000000 ] - [ 0.0000485300000000, -0.0001364500000000, -0.0000712700000000 ] - [ 0.0000093300000000, -0.0001164100000000, -0.0001702100000000 ] - [ -0.0001170400000000, 0.0010400100000000, -0.0000079900000000 ] - [ 0.0019868300000000, 0.0013301000000000, 0.0007141900000000 ] - [ -0.0000369600000000, 0.0002009800000000, -0.0003407000000000 ] - [ -0.0001794800000000, 0.0015262400000000, -0.0022689300000000 ] - [ 0.0001187000000000, -0.0000263600000000, -0.0001756400000000 ] - [ 0.0000095100000000, -0.0001726700000000, -0.0003313600000000 ] - [ -0.0000025600000000, 0.0000569600000000, -0.0002661500000000 ] - [ 0.0000051400000000, -0.0001918700000000, -0.0000977000000000 ] - [ 0.0000047800000000, -0.0003089400000000, -0.0001003300000000 ] - [ 0.0000208900000000, 0.0001052900000000, -0.0001605800000000 ] - [ -0.0000359700000000, -0.0000169400000000, -0.0003062600000000 ] - [ 0.0000936400000000, 0.0000486800000000, 0.0001019600000000 ] - [ -0.0001545600000000, -0.0067621500000000, -0.0046746400000000 ] - [ 0.0002906400000000, -0.0001467000000000, -0.0003093500000000 ] - [ 0.0003517400000000, -0.0001519300000000, -0.0004094000000000 ] - [ -0.0004649100000000, -0.0002064700000000, -0.0005987500000000 ] - [ -0.0052922700000000, 0.0031239200000000, 0.0047808400000000 ] - [ 0.0102381400000000, -0.0030817500000000, -0.0036781500000000 ] - [ 0.0064083100000000, 0.0035330800000000, 0.0048037800000000 ] - [ -0.0002254900000000, 0.0002613900000000, -0.0003277900000000 ] - [ -0.0000705100000000, -0.0000902700000000, -0.0007104000000000 ] - [ -0.0093611100000000, -0.0028959200000000, -0.0033944600000000 ] - [ 0.0000157000000000, -0.0001401600000000, -0.0005474200000000 ] - [ -0.0000259700000000, -0.0001410800000000, -0.0007133700000000 ] - [ -0.0000996800000000, -0.0002524200000000, -0.0002496800000000 ] - [ -0.0003992900000000, 0.0001939000000000, 0.0003950100000000 ] - [ -0.0001810100000000, 0.0013779200000000, -0.0006477000000000 ] - [ 0.0002300800000000, 0.0000875300000000, -0.0001183300000000 ] - [ -0.0001242400000000, -0.0001210400000000, -0.0003692000000000 ] - [ -0.0000972000000000, -0.0001430100000000, 0.0000391100000000 ] - [ 0.0023176000000000, 0.0006884100000000, -0.0080224200000000 ] - [ -0.0001129900000000, -0.0000932300000000, 0.0001434300000000 ] - [ -0.0001498700000000, -0.0004309500000000, -0.0006700800000000 ] - [ -0.0000820800000000, -0.0001490000000000, 0.0003955300000000 ] - [ 0.0000431100000000, -0.0002543000000000, 0.0001153500000000 ] - [ -0.0000768900000000, 0.0000151300000000, 0.0003506300000000 ] - [ -0.0002708700000000, 0.0001149000000000, 0.0003728100000000 ] - [ -0.0000658200000000, -0.0002100300000000, 0.0005392300000000 ] - [ 0.0000721600000000, -0.0002375900000000, 0.0001876800000000 ] - [ 0.0005478500000000, 0.0004604900000000, -0.0001411500000000 ] - [ 0.0000526600000000, -0.0002173500000000, -0.0001551800000000 ] - [ 0.0000319200000000, 0.0003394600000000, 0.0001434000000000 ] - [ 0.0001040400000000, -0.0001055000000000, 0.0001760500000000 ] - [ 0.0000144500000000, 0.0001940200000000, 0.0003660800000000 ] - [ 0.0005150200000000, 0.0001597300000000, 0.0003303300000000 ] - [ -0.0001124600000000, 0.0018638300000000, 0.0018399800000000 ] - [ 0.0000012500000000, 0.0002254300000000, -0.0004316200000000 ] - [ -0.0005094500000000, 0.0004482700000000, -0.0001191800000000 ] - [ -0.0003014700000000, -0.0001162200000000, 0.0008271700000000 ] - [ -0.0001157000000000, -0.0000890600000000, 0.0008354500000000 ] - [ -0.0002833400000000, -0.0002264800000000, -0.0008700400000000 ] - [ -0.0042974600000000, -0.0016972400000000, -0.0006073000000000 ] - [ 0.0001698200000000, -0.0002595800000000, 0.0008896900000000 ] - [ 0.0004697400000000, -0.0001159200000000, -0.0029256200000000 ] - [ -0.0005671500000000, 0.0003437000000000, 0.0002332400000000 ] - [ 0.0000004300000000, 0.0002953300000000, -0.0003194800000000 ] - [ -0.0000748700000000, 0.0005357100000000, 0.0004947800000000 ] - [ 0.0000669100000000, 0.0000909000000000, 0.0003971700000000 ] - [ -0.0000483600000000, -0.0003852200000000, 0.0001576900000000 ] - [ 0.0000118000000000, -0.0000978900000000, -0.0000561200000000 ] - [ -0.0001184200000000, -0.0004191600000000, 0.0004142200000000 ] - [ -0.0000835900000000, 0.0001970700000000, 0.0003554400000000 ] - [ 0.0002161700000000, -0.0001914200000000, 0.0006483000000000 ] - [ -0.0013200500000000, 0.0001038400000000, -0.0079060600000000 ] - [ 0.0000022500000000, -0.0003971800000000, -0.0000087500000000 ] - [ 0.0002200700000000, -0.0001525900000000, 0.0002772000000000 ] - [ 0.0045237600000000, -0.0010782500000000, 0.0005183500000000 ] - [ 0.0005406200000000, 0.0001833800000000, -0.0004501600000000 ] - [ 0.0000036700000000, 0.0000890700000000, 0.0002978700000000 ] - [ -0.0000047700000000, -0.0000673700000000, 0.0001882700000000 ] - [ -0.0000253800000000, 0.0000488600000000, 0.0001136700000000 ] - [ 0.0000570900000000, 0.0000100600000000, 0.0004122900000000 ] - [ 0.0012534300000000, -0.0001505100000000, 0.0000268200000000 ] - [ -0.0000182700000000, 0.0000285500000000, 0.0003419100000000 ] - [ -0.0010028800000000, -0.0003287600000000, 0.0002112900000000 ] - [ 0.0000865800000000, 0.0000562500000000, -0.0005951900000000 ] - [ -0.0000432700000000, -0.0002046100000000, 0.0001561900000000 ]- atom: 24 displacement: [ 0.0099999995909515, 0.0000000000000000, -0.0000028602394792 ] forces: - [ 0.0000028000000000, 0.0001445900000000, 0.0000762100000000 ] - [ -0.0002588300000000, -0.0002936100000000, -0.0001456700000000 ] - [ -0.0006075100000000, 0.0002783500000000, -0.0000341000000000 ] - [ 0.0003092300000000, 0.0001326000000000, -0.0000933600000000 ] - [ 0.0003344300000000, -0.0001471100000000, -0.0002743800000000 ] - [ -0.0002618900000000, 0.0001705600000000, 0.0000011500000000 ] - [ -0.0000350900000000, -0.0001738500000000, 0.0003895800000000 ] - [ 0.0001307800000000, -0.0003078400000000, 0.0001115000000000 ] - [ -0.0007557700000000, 0.0001139000000000, 0.0001895900000000 ] - [ -0.0002238800000000, 0.0001663400000000, 0.0002239100000000 ] - [ 0.0041139900000000, 0.0042486100000000, 0.0016614800000000 ] - [ 0.0001810600000000, -0.0005518000000000, 0.0000733000000000 ] - [ -0.0009681000000000, -0.0000708800000000, -0.0000282400000000 ] - [ 0.0000510400000000, -0.0001691100000000, -0.0002219600000000 ] - [ 0.0002199300000000, 0.0007522100000000, -0.0002258900000000 ] - [ -0.0000465900000000, 0.0000887500000000, -0.0001701300000000 ] - [ 0.0000618100000000, -0.0001012700000000, -0.0001227300000000 ] - [ 0.0000272100000000, -0.0002352900000000, -0.0000562100000000 ] - [ -0.0024322500000000, 0.0006356200000000, -0.0005573300000000 ] - [ 0.0004394900000000, 0.0003380600000000, 0.0000192600000000 ] - [ 0.0009598500000000, 0.0001088900000000, 0.0002090600000000 ] - [ -0.0000706800000000, -0.0000675600000000, 0.0000634700000000 ] - [ 0.0000094200000000, 0.0000508200000000, 0.0000494100000000 ] - [ -0.0380408100000000, 0.0009135700000000, -0.0024453200000000 ] - [ -0.0000078400000000, 0.0000475000000000, -0.0000801800000000 ] - [ -0.0000236000000000, -0.0000649900000000, -0.0001644200000000 ] - [ -0.0000227500000000, -0.0001784100000000, 0.0000002400000000 ] - [ 0.0000142300000000, -0.0001433800000000, 0.0001770300000000 ] - [ -0.0000137500000000, 0.0001405300000000, 0.0003144200000000 ] - [ -0.0000082800000000, -0.0003129600000000, -0.0000856700000000 ] - [ -0.0001322900000000, -0.0000856900000000, 0.0000278000000000 ] - [ -0.0000103800000000, -0.0001020200000000, 0.0003140700000000 ] - [ 0.0000020900000000, -0.0000405800000000, -0.0003170700000000 ] - [ 0.0000281000000000, -0.0001620500000000, 0.0000109600000000 ] - [ 0.0000059000000000, -0.0000949100000000, -0.0000754700000000 ] - [ 0.0003109800000000, 0.0000357200000000, 0.0000019500000000 ] - [ 0.0051789200000000, -0.0049891800000000, -0.0005053600000000 ] - [ -0.0000523000000000, -0.0000728200000000, 0.0001419500000000 ] - [ 0.0006728300000000, 0.0000099200000000, -0.0000012200000000 ] - [ 0.0001249000000000, -0.0000418600000000, -0.0000875600000000 ] - [ 0.0000064000000000, -0.0001567200000000, -0.0002183900000000 ] - [ -0.0000332500000000, 0.0002350500000000, 0.0001281700000000 ] - [ 0.0000185200000000, -0.0001949700000000, 0.0000260500000000 ] - [ 0.0000112000000000, -0.0003353500000000, 0.0000698900000000 ] - [ 0.0000444400000000, 0.0002434800000000, -0.0002867900000000 ] - [ -0.0000070200000000, -0.0000353500000000, -0.0001787400000000 ] - [ 0.0000208500000000, 0.0003420200000000, -0.0000671300000000 ] - [ 0.0002232300000000, -0.0000561500000000, 0.0000208000000000 ] - [ 0.0001261400000000, -0.0001134300000000, 0.0001628400000000 ] - [ 0.0002076800000000, -0.0001291400000000, 0.0001424800000000 ] - [ -0.0001816900000000, -0.0000842000000000, -0.0001835000000000 ] - [ 0.0001268200000000, 0.0028354900000000, -0.0093715700000000 ] - [ 0.0139443900000000, 0.0055747500000000, 0.0055193900000000 ] - [ 0.0015000600000000, -0.0032375800000000, 0.0106031200000000 ] - [ -0.0001500100000000, 0.0000479000000000, -0.0004180400000000 ] - [ -0.0002593800000000, -0.0001125200000000, -0.0001657700000000 ] - [ 0.0105041300000000, -0.0041869600000000, -0.0042696700000000 ] - [ 0.0001486300000000, -0.0000910000000000, -0.0003085400000000 ] - [ 0.0002005500000000, -0.0001908900000000, -0.0002507000000000 ] - [ -0.0001137300000000, -0.0001923200000000, 0.0001533400000000 ] - [ 0.0003820800000000, 0.0007606300000000, 0.0001674700000000 ] - [ 0.0005093600000000, 0.0001821200000000, 0.0000463500000000 ] - [ -0.0000479800000000, 0.0000557400000000, -0.0004331100000000 ] - [ -0.0000623000000000, -0.0000532900000000, 0.0002813100000000 ] - [ 0.0000884600000000, 0.0001272100000000, -0.0002492300000000 ] - [ 0.0042307000000000, -0.0007935900000000, -0.0009886500000000 ] - [ 0.0000573700000000, 0.0001050300000000, 0.0001188700000000 ] - [ -0.0003768700000000, -0.0001805600000000, -0.0002323600000000 ] - [ -0.0003018000000000, -0.0001350200000000, 0.0003430500000000 ] - [ 0.0002194900000000, -0.0002279300000000, -0.0000582600000000 ] - [ -0.0002321500000000, -0.0000370500000000, 0.0002340300000000 ] - [ -0.0000392800000000, 0.0000585200000000, 0.0002940800000000 ] - [ -0.0001446700000000, -0.0002085500000000, 0.0003061100000000 ] - [ 0.0000313500000000, -0.0001315500000000, -0.0000107700000000 ] - [ -0.0000294800000000, 0.0014384300000000, 0.0007706700000000 ] - [ 0.0002438600000000, -0.0002374500000000, -0.0003004800000000 ] - [ 0.0001098900000000, 0.0001748600000000, 0.0000975100000000 ] - [ -0.0002117500000000, -0.0001158700000000, 0.0002551300000000 ] - [ 0.0000681800000000, -0.0000453900000000, 0.0000220900000000 ] - [ -0.0025636600000000, 0.0008676600000000, 0.0028941800000000 ] - [ -0.0062752000000000, 0.0001536800000000, 0.0002011200000000 ] - [ 0.0033106000000000, 0.0000215800000000, 0.0004401000000000 ] - [ -0.0002812400000000, -0.0011006200000000, -0.0008659900000000 ] - [ -0.0000315000000000, -0.0001151900000000, -0.0002859500000000 ] - [ 0.0000559500000000, -0.0000918000000000, 0.0001308300000000 ] - [ 0.0070020400000000, -0.0000494100000000, -0.0007795200000000 ] - [ -0.0002541600000000, -0.0000301600000000, -0.0010564800000000 ] - [ -0.0000526800000000, -0.0002281500000000, -0.0000439800000000 ] - [ -0.0009005100000000, 0.0002865200000000, 0.0001338200000000 ] - [ -0.0021373700000000, -0.0006222500000000, -0.0025699000000000 ] - [ 0.0002543400000000, 0.0001783400000000, 0.0001576100000000 ] - [ -0.0002884700000000, -0.0002005300000000, -0.0001333700000000 ] - [ 0.0000210500000000, 0.0000072600000000, 0.0003166600000000 ] - [ -0.0000510100000000, -0.0003488600000000, 0.0000286600000000 ] - [ -0.0000498500000000, -0.0000805200000000, -0.0002805100000000 ] - [ -0.0000576900000000, -0.0002248300000000, 0.0000913200000000 ] - [ -0.0001791100000000, 0.0000815900000000, 0.0005645600000000 ] - [ 0.0000818000000000, -0.0002302700000000, 0.0001063100000000 ] - [ 0.0023199200000000, 0.0003974200000000, 0.0009368200000000 ] - [ -0.0001728300000000, 0.0001071600000000, -0.0002618400000000 ] - [ 0.0001646600000000, -0.0000796500000000, 0.0001000900000000 ] - [ -0.0002741500000000, 0.0001309500000000, 0.0005025000000000 ] - [ -0.0001680700000000, 0.0002446600000000, -0.0005136700000000 ] - [ -0.0000097800000000, 0.0000782600000000, 0.0001935700000000 ] - [ -0.0001873700000000, 0.0001926200000000, 0.0000485300000000 ] - [ 0.0002071600000000, -0.0003085500000000, -0.0002774900000000 ] - [ 0.0003096400000000, -0.0000148400000000, 0.0002640200000000 ] - [ 0.0001336700000000, -0.0004155300000000, 0.0005330300000000 ] - [ -0.0000173700000000, -0.0000343500000000, 0.0001762700000000 ] - [ -0.0001145200000000, 0.0009360900000000, -0.0007404500000000 ] - [ 0.0003518500000000, -0.0002030900000000, -0.0001608400000000 ] - [ -0.0001849100000000, -0.0001729400000000, 0.0000149300000000 ]- atom: 24 displacement: [ -0.0099999995909515, 0.0000000000000000, 0.0000028602394792 ] forces: - [ 0.0000162800000000, 0.0001135000000000, 0.0002271100000000 ] - [ -0.0002629900000000, -0.0002972000000000, -0.0000838000000000 ] - [ 0.0011178300000000, 0.0002962200000000, 0.0000465300000000 ] - [ -0.0003214400000000, 0.0001273200000000, -0.0002234500000000 ] - [ -0.0003328500000000, -0.0001269900000000, -0.0002311000000000 ] - [ -0.0002446900000000, 0.0003909600000000, -0.0000209300000000 ] - [ 0.0000307100000000, -0.0001057300000000, 0.0001533900000000 ] - [ 0.0004151600000000, -0.0002937500000000, 0.0000774900000000 ] - [ 0.0007982800000000, 0.0000767000000000, -0.0000220200000000 ] - [ 0.0003475500000000, 0.0001470600000000, 0.0000825200000000 ] - [ -0.0041537600000000, -0.0037225500000000, -0.0017413800000000 ] - [ -0.0001906500000000, 0.0005137800000000, -0.0000893900000000 ] - [ 0.0007147900000000, 0.0001167900000000, 0.0001285600000000 ] - [ 0.0001159800000000, 0.0000061700000000, 0.0003009400000000 ] - [ -0.0000989300000000, -0.0005354000000000, 0.0000915700000000 ] - [ -0.0001050600000000, 0.0000983200000000, -0.0000912600000000 ] - [ 0.0000559200000000, -0.0000786500000000, -0.0000904800000000 ] - [ -0.0000035800000000, -0.0000336200000000, 0.0001019900000000 ] - [ 0.0023246600000000, -0.0004012200000000, 0.0006631600000000 ] - [ -0.0004278000000000, 0.0002602400000000, 0.0000387000000000 ] - [ -0.0009428500000000, 0.0001854800000000, 0.0002700600000000 ] - [ -0.0000455100000000, -0.0000882300000000, 0.0000779900000000 ] - [ -0.0000069500000000, 0.0000155700000000, 0.0000057500000000 ] - [ 0.0379349300000000, -0.0009771400000000, 0.0026996900000000 ] - [ 0.0000001100000000, 0.0000103000000000, -0.0000154800000000 ] - [ -0.0000551700000000, -0.0002175100000000, 0.0000396900000000 ] - [ -0.0000056200000000, -0.0001882100000000, 0.0000014000000000 ] - [ -0.0000018200000000, -0.0001683200000000, 0.0002304500000000 ] - [ 0.0001144700000000, 0.0000357900000000, -0.0000609300000000 ] - [ 0.0000011000000000, -0.0002762900000000, -0.0000413000000000 ] - [ -0.0001190000000000, -0.0000241100000000, 0.0000568700000000 ] - [ 0.0000598500000000, 0.0000149800000000, -0.0000575000000000 ] - [ -0.0000198800000000, 0.0003293100000000, -0.0001571200000000 ] - [ 0.0000832000000000, -0.0001431100000000, 0.0000852300000000 ] - [ 0.0000278700000000, -0.0001096200000000, -0.0000057000000000 ] - [ -0.0004062600000000, 0.0000322000000000, -0.0000908700000000 ] - [ -0.0048883800000000, 0.0049739500000000, 0.0004005400000000 ] - [ -0.0000755300000000, 0.0003639700000000, -0.0004052700000000 ] - [ -0.0006627300000000, -0.0000613400000000, 0.0000219200000000 ] - [ 0.0001279700000000, -0.0000323000000000, -0.0000654600000000 ] - [ -0.0000104600000000, -0.0001727300000000, -0.0002449300000000 ] - [ -0.0000095400000000, -0.0000062700000000, -0.0002297700000000 ] - [ 0.0000167100000000, -0.0001831200000000, -0.0000069200000000 ] - [ -0.0000107300000000, -0.0002785500000000, 0.0000353100000000 ] - [ 0.0000501400000000, -0.0001699700000000, 0.0004000700000000 ] - [ -0.0000699900000000, -0.0000408900000000, -0.0000996500000000 ] - [ 0.0000137500000000, -0.0000012200000000, 0.0000303900000000 ] - [ -0.0003893500000000, -0.0001059400000000, -0.0000870800000000 ] - [ 0.0002229700000000, -0.0001175100000000, 0.0001097900000000 ] - [ 0.0003671000000000, -0.0000624900000000, 0.0001947200000000 ] - [ -0.0002641500000000, -0.0001164200000000, -0.0001746600000000 ] - [ -0.0001659200000000, -0.0026331200000000, 0.0101519400000000 ] - [ -0.0135126300000000, -0.0050702300000000, -0.0056324700000000 ] - [ -0.0010020400000000, 0.0034635700000000, -0.0100305200000000 ] - [ -0.0004169600000000, 0.0001432700000000, -0.0002051200000000 ] - [ -0.0002571300000000, -0.0001137700000000, -0.0001485900000000 ] - [ -0.0112515600000000, 0.0045113800000000, 0.0040086900000000 ] - [ 0.0000513800000000, -0.0001046600000000, -0.0002331800000000 ] - [ 0.0000447800000000, -0.0002079600000000, -0.0001509300000000 ] - [ -0.0000898400000000, -0.0002104100000000, 0.0001076600000000 ] - [ -0.0006218500000000, -0.0003151900000000, 0.0000660300000000 ] - [ 0.0000103300000000, 0.0000782700000000, 0.0001682600000000 ] - [ 0.0001551400000000, 0.0001124800000000, -0.0003551600000000 ] - [ -0.0000056800000000, -0.0001393500000000, 0.0001643200000000 ] - [ -0.0002112800000000, 0.0000203700000000, -0.0000251200000000 ] - [ -0.0046639100000000, 0.0011744300000000, 0.0002892600000000 ] - [ -0.0002892600000000, 0.0000165900000000, -0.0000382800000000 ] - [ 0.0002883700000000, 0.0002329000000000, -0.0000831000000000 ] - [ -0.0000277700000000, -0.0002718900000000, 0.0000598500000000 ] - [ 0.0000375600000000, -0.0001265800000000, -0.0001028400000000 ] - [ 0.0000260200000000, -0.0000583300000000, 0.0000377000000000 ] - [ 0.0000020800000000, 0.0001302000000000, 0.0003139500000000 ] - [ -0.0000109700000000, -0.0002214100000000, 0.0002688500000000 ] - [ 0.0000125200000000, -0.0001170700000000, -0.0000660200000000 ] - [ 0.0001769700000000, -0.0010292200000000, -0.0009193000000000 ] - [ 0.0000746300000000, -0.0002196700000000, -0.0002551300000000 ] - [ -0.0001120900000000, 0.0002162700000000, -0.0000317700000000 ] - [ -0.0000505600000000, -0.0001079700000000, 0.0002097400000000 ] - [ 0.0001220400000000, 0.0000728300000000, 0.0001535800000000 ] - [ 0.0026536800000000, -0.0008422400000000, -0.0025652000000000 ] - [ 0.0061061300000000, 0.0002920000000000, 0.0004658400000000 ] - [ -0.0032020600000000, 0.0002483900000000, -0.0003259100000000 ] - [ 0.0001865100000000, 0.0013203900000000, 0.0007186900000000 ] - [ -0.0000719200000000, -0.0001106100000000, -0.0000874900000000 ] - [ 0.0000534200000000, -0.0001030200000000, 0.0001336500000000 ] - [ -0.0069855100000000, 0.0002496000000000, 0.0000390300000000 ] - [ 0.0005088200000000, -0.0000420400000000, 0.0007340900000000 ] - [ -0.0000492700000000, -0.0002163600000000, 0.0000246900000000 ] - [ 0.0007747000000000, 0.0000390600000000, 0.0000408600000000 ] - [ 0.0020773500000000, 0.0010352700000000, 0.0028282800000000 ] - [ -0.0000258100000000, 0.0002646500000000, 0.0002900300000000 ] - [ -0.0000286000000000, 0.0000076700000000, 0.0001071700000000 ] - [ 0.0000018100000000, -0.0001128100000000, 0.0000011700000000 ] - [ 0.0000083800000000, -0.0002745600000000, -0.0000733100000000 ] - [ -0.0000494100000000, -0.0001035300000000, -0.0002083100000000 ] - [ 0.0000055200000000, -0.0002905800000000, 0.0001130400000000 ] - [ 0.0001923700000000, 0.0001060400000000, 0.0000402700000000 ] - [ 0.0000766300000000, -0.0002188500000000, 0.0000720600000000 ] - [ -0.0021974400000000, 0.0001405800000000, -0.0013843600000000 ] - [ 0.0001147400000000, -0.0000911900000000, -0.0000749300000000 ] - [ 0.0001367400000000, -0.0000091500000000, -0.0001024100000000 ] - [ 0.0002299500000000, 0.0002440100000000, -0.0006452200000000 ] - [ 0.0002902500000000, 0.0001877800000000, -0.0001486800000000 ] - [ 0.0000235900000000, -0.0000398700000000, 0.0001116300000000 ] - [ 0.0002148300000000, 0.0001163300000000, -0.0001124400000000 ] - [ -0.0000824900000000, -0.0002566900000000, -0.0000251300000000 ] - [ -0.0000092000000000, -0.0000840600000000, 0.0001245400000000 ] - [ 0.0000732300000000, 0.0005727400000000, -0.0006782000000000 ] - [ -0.0000340200000000, -0.0001079700000000, 0.0001435400000000 ] - [ 0.0001006800000000, -0.0006271100000000, 0.0007753800000000 ] - [ -0.0002026000000000, 0.0005604700000000, -0.0001648900000000 ] - [ -0.0000350400000000, -0.0000522700000000, -0.0001251700000000 ]- atom: 24 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000791400000000, 0.0001063300000000, 0.0001388800000000 ] - [ -0.0002992400000000, -0.0003032000000000, -0.0001671200000000 ] - [ 0.0002782900000000, 0.0001421100000000, 0.0008601800000000 ] - [ -0.0000196600000000, 0.0001695100000000, -0.0003316900000000 ] - [ -0.0000137300000000, -0.0001661400000000, -0.0000110800000000 ] - [ -0.0006275400000000, 0.0004055300000000, 0.0004186300000000 ] - [ 0.0001234200000000, -0.0000430200000000, 0.0005074400000000 ] - [ 0.0002602200000000, -0.0002768900000000, -0.0000828100000000 ] - [ 0.0000549600000000, 0.0002995300000000, 0.0023610900000000 ] - [ 0.0001057500000000, 0.0007116800000000, -0.0000504700000000 ] - [ 0.0041235000000000, 0.0014604700000000, 0.0012104600000000 ] - [ -0.0002624500000000, 0.0007360700000000, -0.0001084200000000 ] - [ -0.0002389500000000, 0.0031303000000000, 0.0014553600000000 ] - [ 0.0001549300000000, 0.0000643800000000, 0.0002412300000000 ] - [ 0.0005354400000000, 0.0009872500000000, -0.0003427800000000 ] - [ -0.0000838500000000, 0.0001510300000000, -0.0001008900000000 ] - [ 0.0000580900000000, -0.0001130300000000, -0.0000962100000000 ] - [ -0.0000236500000000, -0.0002184200000000, -0.0000399700000000 ] - [ 0.0002939100000000, 0.0027077600000000, -0.0060650800000000 ] - [ 0.0000372700000000, 0.0006366300000000, -0.0000074600000000 ] - [ -0.0000286000000000, -0.0001285500000000, 0.0001769000000000 ] - [ -0.0000642100000000, -0.0000411600000000, 0.0000681600000000 ] - [ -0.0000010600000000, 0.0000472600000000, 0.0000002800000000 ] - [ 0.0009679200000000, -0.0219093300000000, 0.0029005500000000 ] - [ 0.0000026400000000, -0.0000103500000000, -0.0000305200000000 ] - [ -0.0000589800000000, -0.0000404200000000, -0.0001414900000000 ] - [ -0.0000178300000000, -0.0001704300000000, -0.0000097300000000 ] - [ 0.0000133200000000, -0.0001548000000000, 0.0002301000000000 ] - [ 0.0000966500000000, -0.0000124900000000, 0.0000203600000000 ] - [ 0.0000030600000000, -0.0002565600000000, -0.0000529900000000 ] - [ -0.0001296500000000, -0.0000710500000000, 0.0000433300000000 ] - [ 0.0000497500000000, 0.0000618700000000, 0.0000334700000000 ] - [ 0.0001406700000000, 0.0004639600000000, -0.0003728000000000 ] - [ 0.0000550500000000, -0.0002196500000000, 0.0000357000000000 ] - [ 0.0000106200000000, -0.0000227900000000, -0.0000513300000000 ] - [ -0.0000782800000000, 0.0002734800000000, -0.0000531800000000 ] - [ -0.0050603700000000, 0.0018884200000000, 0.0002437500000000 ] - [ -0.0001584700000000, -0.0000268600000000, -0.0001019400000000 ] - [ 0.0000215700000000, -0.0003200300000000, -0.0000573000000000 ] - [ 0.0001260600000000, -0.0000001900000000, -0.0000737600000000 ] - [ -0.0000036100000000, -0.0001844100000000, -0.0002302800000000 ] - [ -0.0000851200000000, 0.0003104000000000, 0.0001740900000000 ] - [ 0.0000128300000000, -0.0002053100000000, -0.0000099800000000 ] - [ 0.0000027400000000, -0.0003133600000000, 0.0000262600000000 ] - [ 0.0001506100000000, -0.0001197400000000, 0.0000964900000000 ] - [ -0.0000460600000000, -0.0000929000000000, -0.0001130500000000 ] - [ -0.0001703200000000, 0.0006465000000000, -0.0001857800000000 ] - [ -0.0001160900000000, -0.0003280600000000, 0.0000180600000000 ] - [ 0.0002407200000000, -0.0001021400000000, 0.0001260800000000 ] - [ 0.0002425900000000, -0.0001455700000000, 0.0001361400000000 ] - [ -0.0003791600000000, -0.0000888500000000, -0.0001638600000000 ] - [ 0.0030687100000000, -0.0010510200000000, -0.0034469100000000 ] - [ 0.0045799800000000, -0.0015266300000000, 0.0032090900000000 ] - [ -0.0034565800000000, -0.0005017200000000, -0.0041007800000000 ] - [ -0.0005044600000000, 0.0001200100000000, -0.0006696300000000 ] - [ -0.0002167400000000, -0.0001404600000000, -0.0001920800000000 ] - [ -0.0036308400000000, -0.0010054000000000, 0.0029958700000000 ] - [ 0.0000836400000000, -0.0000281400000000, -0.0001652100000000 ] - [ 0.0000894100000000, -0.0002298800000000, -0.0001835000000000 ] - [ -0.0000860100000000, -0.0001968700000000, 0.0001381300000000 ] - [ 0.0011453700000000, 0.0069096500000000, -0.0016610800000000 ] - [ 0.0016409600000000, 0.0001793500000000, -0.0000629700000000 ] - [ -0.0003126400000000, 0.0005232800000000, -0.0016579900000000 ] - [ -0.0000514700000000, -0.0001181900000000, 0.0002155400000000 ] - [ -0.0001092500000000, -0.0001214300000000, -0.0000673900000000 ] - [ -0.0006074000000000, 0.0023824300000000, -0.0007993100000000 ] - [ -0.0001638900000000, 0.0002152800000000, 0.0003239000000000 ] - [ -0.0001131400000000, -0.0005281800000000, -0.0003555800000000 ] - [ -0.0000554500000000, -0.0002838000000000, 0.0001634900000000 ] - [ 0.0000479600000000, -0.0000800200000000, -0.0000942800000000 ] - [ 0.0000124100000000, -0.0004511900000000, 0.0001383700000000 ] - [ 0.0004613900000000, 0.0000165700000000, 0.0002277200000000 ] - [ -0.0000788900000000, -0.0002226000000000, 0.0002974600000000 ] - [ 0.0000089500000000, -0.0000851300000000, -0.0000481100000000 ] - [ 0.0011122100000000, -0.0002345200000000, -0.0005117200000000 ] - [ 0.0000581800000000, -0.0002197000000000, -0.0002364900000000 ] - [ -0.0002348600000000, -0.0004588500000000, 0.0003098400000000 ] - [ 0.0000085700000000, -0.0000951700000000, 0.0001180600000000 ] - [ 0.0001195400000000, 0.0001172900000000, 0.0000274900000000 ] - [ -0.0011933000000000, 0.0029720600000000, -0.0001436500000000 ] - [ -0.0000215200000000, 0.0002446000000000, 0.0002673800000000 ] - [ -0.0010057000000000, -0.0004262900000000, 0.0012341900000000 ] - [ -0.0015892000000000, -0.0000692800000000, -0.0005822000000000 ] - [ -0.0000825200000000, -0.0001039600000000, -0.0000250400000000 ] - [ 0.0000622300000000, -0.0000989600000000, 0.0001222800000000 ] - [ -0.0001371700000000, 0.0020887300000000, 0.0006300700000000 ] - [ 0.0003473200000000, 0.0012515500000000, 0.0001386600000000 ] - [ -0.0000506500000000, -0.0002250900000000, 0.0000232900000000 ] - [ -0.0000472400000000, 0.0006927100000000, -0.0000102700000000 ] - [ 0.0014920400000000, 0.0037755200000000, 0.0000903900000000 ] - [ 0.0006739000000000, -0.0002247700000000, 0.0028348300000000 ] - [ -0.0001238500000000, 0.0000999800000000, 0.0000485800000000 ] - [ -0.0000128500000000, 0.0000204600000000, 0.0001032800000000 ] - [ 0.0000206200000000, -0.0002412700000000, -0.0000501300000000 ] - [ 0.0000698500000000, -0.0000996400000000, -0.0003024000000000 ] - [ -0.0000053900000000, -0.0003322600000000, -0.0000069600000000 ] - [ -0.0001456400000000, 0.0000583900000000, 0.0008826800000000 ] - [ 0.0000589100000000, -0.0002175900000000, 0.0000120800000000 ] - [ -0.0002457300000000, 0.0022032200000000, -0.0006745200000000 ] - [ -0.0000061100000000, -0.0002084600000000, -0.0001028200000000 ] - [ 0.0001003600000000, -0.0000825200000000, -0.0000961500000000 ] - [ -0.0001792300000000, 0.0014663100000000, 0.0002645400000000 ] - [ -0.0027372500000000, -0.0000806400000000, -0.0003147300000000 ] - [ 0.0000282600000000, -0.0000860600000000, 0.0001269100000000 ] - [ 0.0000476400000000, 0.0003993500000000, -0.0000448600000000 ] - [ 0.0000170700000000, -0.0002111100000000, -0.0002655800000000 ] - [ 0.0000375100000000, -0.0001233000000000, 0.0001588500000000 ] - [ -0.0000702600000000, -0.0005891900000000, 0.0002543500000000 ] - [ -0.0000376500000000, -0.0001533900000000, 0.0001471000000000 ] - [ 0.0001938100000000, -0.0005130300000000, 0.0003001000000000 ] - [ 0.0014863000000000, -0.0033728300000000, -0.0013476400000000 ] - [ -0.0000350500000000, -0.0000130000000000, -0.0000555600000000 ]- atom: 24 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000404600000000, 0.0001556800000000, 0.0002477100000000 ] - [ -0.0002187500000000, -0.0003087700000000, 0.0000116300000000 ] - [ 0.0002371100000000, 0.0004265700000000, -0.0007434300000000 ] - [ -0.0000069800000000, 0.0000890800000000, -0.0000769700000000 ] - [ -0.0000179500000000, -0.0000982400000000, -0.0003831900000000 ] - [ 0.0001074200000000, 0.0001793800000000, -0.0005252700000000 ] - [ -0.0000960000000000, -0.0002142600000000, -0.0000977500000000 ] - [ 0.0002546000000000, -0.0003240400000000, 0.0002321600000000 ] - [ -0.0000181800000000, -0.0000647600000000, -0.0023552600000000 ] - [ 0.0000124400000000, -0.0004404200000000, 0.0002285400000000 ] - [ -0.0041625000000000, -0.0008877600000000, -0.0012778500000000 ] - [ 0.0002541500000000, -0.0007770400000000, 0.0000859500000000 ] - [ -0.0000160300000000, -0.0030664000000000, -0.0012943700000000 ] - [ 0.0000508300000000, -0.0002733200000000, -0.0000833400000000 ] - [ -0.0003995800000000, -0.0008234600000000, 0.0001816300000000 ] - [ -0.0001019100000000, 0.0000431600000000, -0.0000557100000000 ] - [ 0.0000626500000000, -0.0000504200000000, -0.0000760800000000 ] - [ -0.0000184800000000, 0.0000043900000000, 0.0000227900000000 ] - [ -0.0004230600000000, -0.0025202000000000, 0.0063101600000000 ] - [ -0.0000372800000000, -0.0000769100000000, 0.0000697300000000 ] - [ 0.0000514300000000, 0.0004629700000000, 0.0003014800000000 ] - [ -0.0000613900000000, -0.0001245200000000, 0.0000979500000000 ] - [ 0.0000023500000000, -0.0000066400000000, 0.0000199100000000 ] - [ -0.0009768600000000, 0.0229361800000000, -0.0027818000000000 ] - [ -0.0000057100000000, 0.0000548200000000, 0.0000170300000000 ] - [ -0.0000626300000000, -0.0002394200000000, -0.0000433400000000 ] - [ -0.0000143200000000, -0.0002014600000000, 0.0000146100000000 ] - [ 0.0000073900000000, -0.0001728900000000, 0.0002399400000000 ] - [ 0.0000858000000000, 0.0002085800000000, 0.0001450500000000 ] - [ -0.0000088200000000, -0.0003080100000000, -0.0000117400000000 ] - [ -0.0001269100000000, 0.0000262600000000, 0.0000782300000000 ] - [ 0.0000533600000000, -0.0001438900000000, 0.0001612000000000 ] - [ -0.0001625200000000, -0.0001328400000000, -0.0000991200000000 ] - [ 0.0000716500000000, -0.0000449600000000, 0.0001420500000000 ] - [ 0.0000347700000000, -0.0002164500000000, 0.0000588800000000 ] - [ -0.0000222200000000, -0.0002002200000000, -0.0001327800000000 ] - [ 0.0053618800000000, -0.0018268500000000, -0.0003505100000000 ] - [ 0.0000149900000000, 0.0003139900000000, -0.0000938900000000 ] - [ -0.0000168000000000, 0.0002838800000000, 0.0000662600000000 ] - [ 0.0001330300000000, -0.0000434600000000, -0.0000460700000000 ] - [ -0.0000204400000000, -0.0001427400000000, -0.0002409800000000 ] - [ 0.0000190200000000, -0.0000997900000000, -0.0001971200000000 ] - [ 0.0000209600000000, -0.0001644800000000, -0.0000008100000000 ] - [ 0.0000025600000000, -0.0002517100000000, 0.0000425300000000 ] - [ -0.0000296600000000, 0.0002108400000000, 0.0000703700000000 ] - [ -0.0000656000000000, 0.0000249400000000, -0.0000644700000000 ] - [ 0.0002034200000000, -0.0002777800000000, 0.0001830600000000 ] - [ -0.0000634800000000, 0.0001442700000000, -0.0001829800000000 ] - [ 0.0002181400000000, -0.0001636300000000, 0.0001386600000000 ] - [ 0.0003594200000000, -0.0000946700000000, 0.0001445000000000 ] - [ -0.0001799100000000, -0.0001356200000000, -0.0001531700000000 ] - [ -0.0032142000000000, 0.0012174900000000, 0.0039198600000000 ] - [ -0.0043829600000000, 0.0018478900000000, -0.0034607500000000 ] - [ 0.0040279800000000, 0.0007213700000000, 0.0044453600000000 ] - [ -0.0000663900000000, 0.0001388700000000, 0.0003572900000000 ] - [ -0.0002357600000000, -0.0001274000000000, -0.0000375800000000 ] - [ 0.0031786600000000, 0.0010930500000000, -0.0032443100000000 ] - [ 0.0000392900000000, -0.0001661600000000, -0.0002812900000000 ] - [ 0.0001103200000000, -0.0002497000000000, -0.0000669500000000 ] - [ -0.0001229300000000, -0.0002621800000000, 0.0001365000000000 ] - [ -0.0013567700000000, -0.0064728100000000, 0.0019211400000000 ] - [ -0.0011928200000000, 0.0000747000000000, 0.0003192900000000 ] - [ 0.0004373400000000, -0.0002472300000000, 0.0012324100000000 ] - [ -0.0001217700000000, -0.0001419700000000, 0.0001911600000000 ] - [ -0.0001005300000000, 0.0001621800000000, 0.0000027300000000 ] - [ 0.0004337700000000, -0.0021588100000000, 0.0005942200000000 ] - [ -0.0000157600000000, -0.0003805700000000, -0.0004279100000000 ] - [ 0.0001101500000000, 0.0007501400000000, 0.0001997000000000 ] - [ 0.0000140500000000, -0.0002279400000000, 0.0000156900000000 ] - [ 0.0000286500000000, -0.0001149700000000, -0.0001896600000000 ] - [ -0.0002355100000000, 0.0004920400000000, 0.0000074800000000 ] - [ -0.0005949300000000, 0.0001782100000000, 0.0002292500000000 ] - [ -0.0000674700000000, -0.0002213900000000, 0.0002259600000000 ] - [ -0.0000035000000000, -0.0001279000000000, -0.0000944300000000 ] - [ -0.0010386600000000, 0.0004791900000000, 0.0002247500000000 ] - [ 0.0000756100000000, -0.0002235300000000, -0.0002895100000000 ] - [ 0.0002894300000000, 0.0010442400000000, -0.0004133400000000 ] - [ -0.0001070700000000, -0.0001004400000000, 0.0003465000000000 ] - [ 0.0000695500000000, 0.0000184400000000, 0.0000913300000000 ] - [ 0.0010671200000000, -0.0027299800000000, 0.0002152400000000 ] - [ -0.0001258500000000, 0.0002130100000000, 0.0002619700000000 ] - [ 0.0010666000000000, 0.0000261900000000, -0.0011362300000000 ] - [ 0.0015369900000000, 0.0001818700000000, 0.0003555200000000 ] - [ -0.0000423400000000, -0.0001038900000000, -0.0001820200000000 ] - [ 0.0000703600000000, -0.0001077800000000, 0.0000520300000000 ] - [ 0.0002252700000000, -0.0018740800000000, -0.0011022300000000 ] - [ -0.0001197900000000, -0.0012276600000000, -0.0002879500000000 ] - [ -0.0000894000000000, -0.0002161100000000, -0.0001268800000000 ] - [ -0.0000313600000000, -0.0004881800000000, 0.0002883200000000 ] - [ -0.0014197400000000, -0.0032531800000000, 0.0000066700000000 ] - [ -0.0005314000000000, 0.0006725800000000, -0.0027202000000000 ] - [ -0.0000985100000000, -0.0001233700000000, 0.0001030900000000 ] - [ 0.0000264500000000, -0.0001404800000000, 0.0001253700000000 ] - [ 0.0000320600000000, -0.0002466700000000, -0.0001377600000000 ] - [ 0.0000469000000000, -0.0000954500000000, -0.0001103400000000 ] - [ -0.0000417900000000, -0.0002364800000000, 0.0001166000000000 ] - [ 0.0002718800000000, 0.0001491400000000, -0.0006796700000000 ] - [ 0.0000683700000000, -0.0002237300000000, 0.0000488800000000 ] - [ 0.0001461500000000, -0.0017459800000000, 0.0005974100000000 ] - [ 0.0000095500000000, 0.0000302100000000, -0.0000911400000000 ] - [ 0.0001440400000000, 0.0000157000000000, -0.0000356000000000 ] - [ 0.0001500200000000, -0.0009499400000000, -0.0001840000000000 ] - [ 0.0028958000000000, 0.0005284800000000, -0.0002139100000000 ] - [ 0.0000343000000000, -0.0000172300000000, 0.0000744900000000 ] - [ -0.0000573000000000, -0.0002629600000000, -0.0001649600000000 ] - [ 0.0000121200000000, -0.0003070700000000, 0.0001878300000000 ] - [ -0.0000454700000000, -0.0000941000000000, -0.0000156000000000 ] - [ 0.0002803400000000, 0.0005499600000000, -0.0001898100000000 ] - [ -0.0000394900000000, -0.0000493100000000, 0.0001394500000000 ] - [ -0.0001904200000000, 0.0006763100000000, -0.0000995800000000 ] - [ -0.0014362100000000, 0.0038653700000000, 0.0011610700000000 ] - [ -0.0000179400000000, -0.0000569600000000, -0.0001549900000000 ]- atom: 24 displacement: [ -0.0000185648863736, 0.0000000000000000, 0.0099999827672348 ] forces: - [ -0.0000178400000000, 0.0001256100000000, 0.0004082300000000 ] - [ -0.0002469200000000, -0.0002756100000000, 0.0001114600000000 ] - [ 0.0003006400000000, 0.0010591400000000, 0.0024815800000000 ] - [ -0.0000297000000000, 0.0001117800000000, 0.0000594400000000 ] - [ -0.0000121700000000, -0.0000590400000000, 0.0001281800000000 ] - [ -0.0003639400000000, 0.0003743100000000, -0.0001049400000000 ] - [ 0.0000575600000000, -0.0001325700000000, 0.0001470200000000 ] - [ 0.0002714100000000, -0.0003613500000000, 0.0004304100000000 ] - [ 0.0000160700000000, 0.0022254400000000, 0.0028272600000000 ] - [ 0.0000287900000000, -0.0003956900000000, 0.0001822500000000 ] - [ 0.0015485800000000, 0.0013368800000000, -0.0012305600000000 ] - [ 0.0001127500000000, -0.0000647700000000, -0.0004335000000000 ] - [ -0.0002051600000000, 0.0014895900000000, -0.0001196300000000 ] - [ 0.0000172700000000, 0.0000400900000000, 0.0002801200000000 ] - [ -0.0001373200000000, -0.0000622200000000, -0.0005294500000000 ] - [ -0.0000939400000000, 0.0001338900000000, 0.0000532000000000 ] - [ 0.0000667100000000, -0.0001126400000000, 0.0000294600000000 ] - [ -0.0000366400000000, 0.0000024400000000, 0.0001479000000000 ] - [ -0.0004789600000000, -0.0063079100000000, 0.0052928500000000 ] - [ 0.0000368800000000, 0.0005186900000000, 0.0000029800000000 ] - [ 0.0000431800000000, 0.0002231300000000, -0.0001648800000000 ] - [ -0.0000514800000000, -0.0000952700000000, 0.0001911500000000 ] - [ -0.0000080100000000, 0.0000162600000000, 0.0001154600000000 ] - [ -0.0025684500000000, 0.0029911300000000, -0.0236081100000000 ] - [ -0.0000102500000000, -0.0000085600000000, 0.0000965400000000 ] - [ -0.0000630200000000, -0.0002283300000000, 0.0000877400000000 ] - [ -0.0000119200000000, -0.0001676100000000, 0.0001235100000000 ] - [ 0.0000091100000000, -0.0001406900000000, 0.0003537100000000 ] - [ 0.0001166100000000, 0.0001912900000000, 0.0003099000000000 ] - [ -0.0000060200000000, -0.0002544900000000, 0.0000614600000000 ] - [ -0.0001198200000000, -0.0000141200000000, 0.0001800300000000 ] - [ 0.0000576900000000, -0.0001154900000000, 0.0003127800000000 ] - [ -0.0000034900000000, 0.0002876500000000, -0.0003365100000000 ] - [ 0.0000690500000000, -0.0001877000000000, 0.0002626500000000 ] - [ 0.0000256000000000, -0.0000503100000000, 0.0001811800000000 ] - [ -0.0000201600000000, -0.0001861600000000, -0.0002000600000000 ] - [ -0.0002835300000000, 0.0002976100000000, -0.0019563500000000 ] - [ 0.0000357300000000, -0.0000412800000000, 0.0002494900000000 ] - [ 0.0000224600000000, -0.0004089200000000, -0.0001559600000000 ] - [ 0.0001330500000000, -0.0000108200000000, 0.0000416900000000 ] - [ -0.0000073400000000, -0.0001745600000000, -0.0001435300000000 ] - [ 0.0000418100000000, 0.0002618000000000, 0.0002025400000000 ] - [ 0.0000177600000000, -0.0001854000000000, 0.0000762300000000 ] - [ -0.0000050000000000, -0.0002841600000000, 0.0001283200000000 ] - [ -0.0000352200000000, -0.0001258000000000, 0.0004264200000000 ] - [ -0.0000568400000000, -0.0000887500000000, 0.0000534100000000 ] - [ -0.0000189200000000, 0.0003604000000000, -0.0002118000000000 ] - [ -0.0000414400000000, 0.0001537300000000, -0.0001837700000000 ] - [ 0.0001677400000000, -0.0000948200000000, 0.0004973200000000 ] - [ 0.0001365200000000, -0.0000800600000000, 0.0006926400000000 ] - [ -0.0002588000000000, -0.0001911600000000, 0.0001889600000000 ] - [ -0.0102750600000000, -0.0030550600000000, 0.0047834500000000 ] - [ 0.0059985700000000, 0.0036290400000000, -0.0049195500000000 ] - [ 0.0107457700000000, -0.0035477600000000, 0.0035776400000000 ] - [ -0.0001330700000000, -0.0000555000000000, -0.0006815800000000 ] - [ -0.0002936900000000, -0.0001392700000000, 0.0003943700000000 ] - [ -0.0042772000000000, 0.0034453400000000, -0.0048443500000000 ] - [ -0.0000357800000000, -0.0000863100000000, 0.0001470900000000 ] - [ 0.0001284000000000, -0.0002726000000000, 0.0004031900000000 ] - [ -0.0000591000000000, -0.0001676600000000, 0.0005271100000000 ] - [ 0.0003299100000000, 0.0006991900000000, -0.0002227500000000 ] - [ 0.0005853300000000, 0.0001716000000000, -0.0004733100000000 ] - [ 0.0000318300000000, -0.0001831600000000, -0.0008547700000000 ] - [ 0.0000493400000000, -0.0000771000000000, 0.0008056200000000 ] - [ -0.0001010600000000, 0.0002515100000000, -0.0002362800000000 ] - [ -0.0016595600000000, 0.0005178900000000, 0.0078355900000000 ] - [ -0.0001847900000000, 0.0005828300000000, -0.0002535000000000 ] - [ -0.0000419600000000, 0.0002404300000000, 0.0002050200000000 ] - [ 0.0001105400000000, -0.0004019100000000, -0.0002310900000000 ] - [ -0.0000102000000000, 0.0000432600000000, -0.0003532200000000 ] - [ -0.0000757600000000, -0.0001573200000000, -0.0000101500000000 ] - [ -0.0001401900000000, 0.0001031500000000, 0.0001302500000000 ] - [ -0.0000811600000000, -0.0002254000000000, 0.0001283900000000 ] - [ -0.0000528600000000, 0.0000172200000000, -0.0002914000000000 ] - [ 0.0006421400000000, -0.0001991900000000, -0.0001648300000000 ] - [ 0.0000639200000000, -0.0002250600000000, -0.0003432900000000 ] - [ 0.0000022700000000, -0.0000020300000000, -0.0001189700000000 ] - [ 0.0000348400000000, -0.0000885700000000, 0.0002486700000000 ] - [ 0.0001279700000000, -0.0000967100000000, -0.0002934600000000 ] - [ 0.0049366200000000, -0.0018698700000000, -0.0005039700000000 ] - [ -0.0003232400000000, -0.0001461700000000, 0.0008512900000000 ] - [ 0.0002673600000000, -0.0003150900000000, 0.0033502800000000 ] - [ -0.0008105200000000, -0.0003972300000000, -0.0002576800000000 ] - [ 0.0001457500000000, -0.0000968800000000, -0.0009138800000000 ] - [ 0.0002158300000000, -0.0001122600000000, -0.0005261300000000 ] - [ -0.0001419900000000, 0.0012806600000000, -0.0010009300000000 ] - [ -0.0004845900000000, 0.0001080300000000, -0.0001566000000000 ] - [ -0.0002766500000000, -0.0001885000000000, -0.0008726400000000 ] - [ -0.0001170700000000, 0.0000077300000000, 0.0005559200000000 ] - [ -0.0050242700000000, -0.0017030100000000, 0.0000099000000000 ] - [ 0.0003367000000000, 0.0002374100000000, 0.0013680100000000 ] - [ -0.0001388200000000, -0.0001720300000000, -0.0000895800000000 ] - [ -0.0000269000000000, -0.0002003400000000, -0.0001839100000000 ] - [ 0.0000831400000000, -0.0001301600000000, -0.0003027500000000 ] - [ 0.0001019300000000, -0.0000902200000000, -0.0005163500000000 ] - [ 0.0000113400000000, -0.0001822900000000, -0.0002931000000000 ] - [ -0.0002125900000000, 0.0000595300000000, 0.0010864500000000 ] - [ -0.0000964100000000, -0.0002480100000000, -0.0006370500000000 ] - [ 0.0017897800000000, 0.0010216900000000, 0.0080248000000000 ] - [ -0.0000207800000000, 0.0001444700000000, -0.0002772900000000 ] - [ 0.0000657500000000, 0.0000529900000000, -0.0003649300000000 ] - [ 0.0005175600000000, 0.0001974300000000, -0.0002259200000000 ] - [ -0.0008149000000000, 0.0001852300000000, -0.0001518800000000 ] - [ 0.0000544900000000, -0.0002007200000000, -0.0000715600000000 ] - [ 0.0000729200000000, 0.0004685300000000, -0.0002246500000000 ] - [ 0.0000536900000000, -0.0005858100000000, -0.0003368700000000 ] - [ -0.0001262800000000, -0.0002484100000000, -0.0002382000000000 ] - [ 0.0006390200000000, 0.0003191100000000, 0.0000818800000000 ] - [ -0.0000607600000000, -0.0002494500000000, -0.0000297200000000 ] - [ -0.0004692300000000, 0.0004752300000000, 0.0002098400000000 ] - [ 0.0002547500000000, 0.0004326900000000, 0.0000442700000000 ] - [ 0.0000283300000000, 0.0001302400000000, -0.0003373600000000 ]- atom: 24 displacement: [ 0.0000185648863736, 0.0000000000000000, -0.0099999827672348 ] forces: - [ 0.0000362200000000, 0.0001300500000000, 0.0000290900000000 ] - [ -0.0002727400000000, -0.0003072400000000, -0.0002271700000000 ] - [ 0.0002203900000000, -0.0004655700000000, -0.0023484100000000 ] - [ 0.0000122400000000, 0.0001414300000000, -0.0004961000000000 ] - [ -0.0000085700000000, -0.0002001200000000, -0.0005541000000000 ] - [ -0.0001587400000000, 0.0001958300000000, 0.0000310900000000 ] - [ -0.0000353100000000, -0.0001257900000000, 0.0002726500000000 ] - [ 0.0002481200000000, -0.0002302500000000, -0.0003104700000000 ] - [ -0.0000131900000000, -0.0019944600000000, -0.0028591500000000 ] - [ 0.0000675000000000, 0.0006455700000000, -0.0000022800000000 ] - [ -0.0015383700000000, -0.0007591700000000, 0.0011717000000000 ] - [ -0.0001128400000000, 0.0000179200000000, 0.0004077000000000 ] - [ -0.0000514100000000, -0.0014284500000000, 0.0002241100000000 ] - [ 0.0001387900000000, -0.0002197700000000, -0.0001049700000000 ] - [ 0.0002551300000000, 0.0001963700000000, 0.0003854900000000 ] - [ -0.0000784800000000, 0.0000565900000000, -0.0002170200000000 ] - [ 0.0000514200000000, -0.0000562000000000, -0.0001899800000000 ] - [ -0.0000081900000000, -0.0001915700000000, -0.0002016800000000 ] - [ 0.0003549200000000, 0.0063828600000000, -0.0050920200000000 ] - [ -0.0000351000000000, 0.0000439600000000, 0.0000758200000000 ] - [ -0.0000197800000000, 0.0001132700000000, 0.0006319300000000 ] - [ -0.0000673300000000, -0.0000818700000000, -0.0000252500000000 ] - [ 0.0000098800000000, 0.0000183800000000, -0.0000924400000000 ] - [ 0.0024946800000000, -0.0026910900000000, 0.0239922700000000 ] - [ 0.0000069000000000, 0.0000450200000000, -0.0001189600000000 ] - [ -0.0000587200000000, -0.0000791400000000, -0.0002959700000000 ] - [ -0.0000194300000000, -0.0002035800000000, -0.0001070400000000 ] - [ 0.0000109500000000, -0.0001924600000000, 0.0001174600000000 ] - [ 0.0000655900000000, 0.0000113200000000, -0.0001463900000000 ] - [ 0.0000026000000000, -0.0003102300000000, -0.0001333900000000 ] - [ -0.0001356700000000, -0.0000318000000000, -0.0000540300000000 ] - [ 0.0000433000000000, 0.0000243800000000, -0.0001275400000000 ] - [ -0.0000186400000000, 0.0000459800000000, -0.0001282200000000 ] - [ 0.0000499100000000, -0.0001060300000000, -0.0000589800000000 ] - [ 0.0000127000000000, -0.0001587200000000, -0.0001446300000000 ] - [ -0.0000523900000000, 0.0002368900000000, 0.0000062100000000 ] - [ 0.0005144100000000, -0.0001981600000000, 0.0018765600000000 ] - [ -0.0001444000000000, 0.0003125500000000, -0.0004385700000000 ] - [ -0.0000212900000000, 0.0003692600000000, 0.0001864400000000 ] - [ 0.0001232900000000, -0.0000409600000000, -0.0001615600000000 ] - [ -0.0000143800000000, -0.0001576200000000, -0.0003266800000000 ] - [ -0.0000642500000000, -0.0000289300000000, -0.0002195000000000 ] - [ 0.0000152100000000, -0.0001835500000000, -0.0000933400000000 ] - [ 0.0000073600000000, -0.0002785300000000, -0.0000572200000000 ] - [ 0.0001201600000000, 0.0001914900000000, -0.0002335500000000 ] - [ -0.0000448100000000, 0.0000033100000000, -0.0002354900000000 ] - [ 0.0000523800000000, 0.0000098600000000, 0.0002132900000000 ] - [ -0.0000935300000000, -0.0003124400000000, 0.0000050700000000 ] - [ 0.0002625000000000, -0.0001466700000000, -0.0002464800000000 ] - [ 0.0003927400000000, -0.0001597400000000, -0.0003478500000000 ] - [ -0.0002536000000000, -0.0000477400000000, -0.0005284000000000 ] - [ 0.0102598800000000, 0.0033349200000000, -0.0043976100000000 ] - [ -0.0058122100000000, -0.0031876800000000, 0.0046459800000000 ] - [ -0.0103152300000000, 0.0038618600000000, -0.0033294300000000 ] - [ -0.0004128700000000, 0.0002959500000000, 0.0003583200000000 ] - [ -0.0001403200000000, -0.0000947500000000, -0.0006450400000000 ] - [ 0.0038188000000000, -0.0031892900000000, 0.0045698200000000 ] - [ 0.0001242600000000, -0.0001177100000000, -0.0006476900000000 ] - [ 0.0000463000000000, -0.0001580800000000, -0.0006566600000000 ] - [ -0.0001088900000000, -0.0002593700000000, -0.0002725800000000 ] - [ -0.0004836500000000, -0.0002258200000000, 0.0004680200000000 ] - [ -0.0001517600000000, 0.0000944400000000, 0.0007277800000000 ] - [ 0.0000987800000000, 0.0003943600000000, 0.0003736300000000 ] - [ -0.0001589900000000, -0.0001374400000000, -0.0003056400000000 ] - [ -0.0001086900000000, -0.0002061200000000, 0.0001663100000000 ] - [ 0.0015334500000000, -0.0003064100000000, -0.0080152900000000 ] - [ -0.0000186800000000, -0.0006337300000000, 0.0001756900000000 ] - [ -0.0000506000000000, -0.0000163400000000, -0.0004279400000000 ] - [ -0.0001290800000000, -0.0001269600000000, 0.0003762800000000 ] - [ 0.0000849300000000, -0.0002581700000000, 0.0000680400000000 ] - [ -0.0001577900000000, 0.0001912000000000, 0.0001451300000000 ] - [ 0.0000311700000000, 0.0000939900000000, 0.0003230800000000 ] - [ -0.0000721500000000, -0.0002240100000000, 0.0003873500000000 ] - [ 0.0000529700000000, -0.0002260900000000, 0.0001371900000000 ] - [ -0.0005398700000000, 0.0004128400000000, -0.0001091500000000 ] - [ 0.0000868100000000, -0.0002205800000000, -0.0001740000000000 ] - [ 0.0000403800000000, 0.0005114000000000, 0.0000219100000000 ] - [ -0.0001432000000000, -0.0001056800000000, 0.0002598900000000 ] - [ 0.0000781100000000, 0.0001428000000000, 0.0003706300000000 ] - [ -0.0048824000000000, 0.0020838400000000, 0.0006991700000000 ] - [ 0.0001785200000000, 0.0005901900000000, -0.0003360200000000 ] - [ -0.0001866800000000, 0.0003639100000000, -0.0031639000000000 ] - [ 0.0007333800000000, 0.0004697800000000, 0.0000566400000000 ] - [ -0.0002742800000000, -0.0001169500000000, 0.0007229400000000 ] - [ -0.0000897700000000, -0.0000980000000000, 0.0007141100000000 ] - [ 0.0002501100000000, -0.0010194800000000, 0.0003381500000000 ] - [ 0.0007218800000000, -0.0000820800000000, 0.0000266100000000 ] - [ 0.0001439900000000, -0.0002562700000000, 0.0008028100000000 ] - [ 0.0000078100000000, 0.0002019500000000, -0.0002874700000000 ] - [ 0.0049754600000000, 0.0022353000000000, 0.0002419900000000 ] - [ -0.0002082800000000, 0.0002066100000000, -0.0013049500000000 ] - [ -0.0000852900000000, 0.0001437700000000, 0.0002259100000000 ] - [ 0.0000191200000000, 0.0000320100000000, 0.0003850800000000 ] - [ -0.0000399500000000, -0.0003946500000000, 0.0001347000000000 ] - [ 0.0000082000000000, -0.0001062900000000, 0.0000316900000000 ] - [ -0.0000520800000000, -0.0003425100000000, 0.0003833700000000 ] - [ 0.0003494400000000, 0.0001482600000000, -0.0009087500000000 ] - [ 0.0002312100000000, -0.0001945700000000, 0.0007032200000000 ] - [ -0.0019172400000000, -0.0005715800000000, -0.0080937300000000 ] - [ 0.0000319200000000, -0.0003164800000000, 0.0000773000000000 ] - [ 0.0001624400000000, -0.0000847900000000, 0.0002276600000000 ] - [ -0.0005597100000000, 0.0002848300000000, 0.0003301100000000 ] - [ 0.0009510900000000, 0.0002556500000000, -0.0003630100000000 ] - [ 0.0000099100000000, 0.0001152600000000, 0.0002836100000000 ] - [ -0.0000693600000000, -0.0003113800000000, 0.0000242000000000 ] - [ -0.0000129700000000, 0.0000520900000000, 0.0002565400000000 ] - [ 0.0001012500000000, 0.0000318800000000, 0.0003729500000000 ] - [ -0.0004313200000000, -0.0003729600000000, 0.0000016300000000 ] - [ -0.0000255700000000, 0.0000307700000000, 0.0003091100000000 ] - [ 0.0004635800000000, -0.0003187600000000, -0.0000030700000000 ] - [ -0.0001250900000000, 0.0001047400000000, -0.0002964300000000 ] - [ -0.0000793400000000, -0.0002080300000000, 0.0001117800000000 ]- atom: 32 displacement: [ 0.0099999995909515, 0.0000000000000000, -0.0000028602394792 ] forces: - [ -0.0000519300000000, 0.0001212600000000, 0.0001967600000000 ] - [ -0.0001331100000000, -0.0002988700000000, -0.0000924200000000 ] - [ 0.0002576800000000, 0.0002930900000000, 0.0000322400000000 ] - [ 0.0032159800000000, 0.0040644800000000, -0.0013292600000000 ] - [ -0.0000115100000000, -0.0001278700000000, -0.0002484300000000 ] - [ 0.0000598800000000, 0.0003029100000000, -0.0000205800000000 ] - [ -0.0023772300000000, -0.0002843900000000, 0.0001409000000000 ] - [ 0.0022016700000000, -0.0030717700000000, -0.0005148100000000 ] - [ 0.0000279800000000, 0.0001797200000000, 0.0002769300000000 ] - [ 0.0019257700000000, 0.0002748900000000, 0.0029712400000000 ] - [ -0.0000161400000000, 0.0003064700000000, -0.0000838800000000 ] - [ -0.0000217800000000, -0.0000152700000000, -0.0000602300000000 ] - [ -0.0001366700000000, 0.0000139000000000, 0.0000532200000000 ] - [ 0.0000843100000000, -0.0000955400000000, 0.0000589800000000 ] - [ 0.0001075200000000, 0.0000788600000000, -0.0000984500000000 ] - [ -0.0000851200000000, 0.0001253600000000, -0.0000532200000000 ] - [ 0.0001665500000000, -0.0000935500000000, -0.0001021100000000 ] - [ 0.0006023400000000, -0.0000958400000000, 0.0000841100000000 ] - [ -0.0000595400000000, 0.0000928200000000, 0.0000736200000000 ] - [ 0.0000024500000000, 0.0002850200000000, 0.0000229600000000 ] - [ 0.0000159400000000, 0.0001416800000000, 0.0001653700000000 ] - [ 0.0026867800000000, 0.0002294500000000, -0.0039074900000000 ] - [ 0.0019794400000000, 0.0001000700000000, 0.0033576100000000 ] - [ -0.0000276800000000, 0.0001878200000000, 0.0000110000000000 ] - [ -0.0000868500000000, -0.0000159000000000, -0.0000512000000000 ] - [ 0.0011971400000000, -0.0001595000000000, -0.0000619800000000 ] - [ -0.0000181600000000, -0.0002892600000000, -0.0000775500000000 ] - [ -0.0000056800000000, -0.0001218000000000, 0.0002599800000000 ] - [ -0.0005882400000000, 0.0001179900000000, 0.0002018800000000 ] - [ -0.0001202700000000, -0.0002623300000000, -0.0000604200000000 ] - [ -0.0001444700000000, 0.0000658700000000, -0.0001742400000000 ] - [ -0.0327059100000000, -0.0020434300000000, 0.0019392900000000 ] - [ -0.0000198500000000, 0.0001586700000000, -0.0002457900000000 ] - [ 0.0000562600000000, -0.0001115500000000, 0.0000273900000000 ] - [ 0.0000200800000000, -0.0001273700000000, -0.0000565900000000 ] - [ 0.0017972800000000, -0.0002229700000000, -0.0025414800000000 ] - [ 0.0001421000000000, 0.0000383500000000, -0.0000807600000000 ] - [ -0.0000554900000000, 0.0001400700000000, -0.0001160900000000 ] - [ 0.0000006000000000, -0.0000199000000000, -0.0000024400000000 ] - [ 0.0003062100000000, -0.0000094300000000, -0.0000590800000000 ] - [ -0.0006086000000000, -0.0002404400000000, -0.0001661900000000 ] - [ -0.0000160500000000, 0.0001106900000000, -0.0000292900000000 ] - [ 0.0003737500000000, -0.0002167800000000, -0.0000008000000000 ] - [ -0.0000309100000000, -0.0004519100000000, 0.0003017900000000 ] - [ 0.0000437100000000, 0.0000391500000000, 0.0000703600000000 ] - [ -0.0000541100000000, -0.0000821200000000, -0.0000614200000000 ] - [ 0.0000379000000000, 0.0001842500000000, -0.0000136100000000 ] - [ -0.0000313300000000, -0.0000101600000000, -0.0003923100000000 ] - [ -0.0004584500000000, -0.0002666700000000, 0.0014711600000000 ] - [ 0.0002675400000000, -0.0001312500000000, 0.0000308400000000 ] - [ 0.0035827200000000, -0.0051621600000000, 0.0020256300000000 ] - [ 0.0001827800000000, -0.0001453200000000, 0.0003024600000000 ] - [ 0.0001139800000000, 0.0001958800000000, -0.0001804900000000 ] - [ 0.0008503300000000, 0.0001112900000000, 0.0005540600000000 ] - [ -0.0002472800000000, 0.0001091000000000, -0.0002428900000000 ] - [ 0.0002688000000000, -0.0003543800000000, 0.0002356100000000 ] - [ -0.0002134700000000, 0.0001092600000000, -0.0002093000000000 ] - [ 0.0040099600000000, 0.0046498300000000, -0.0025162500000000 ] - [ 0.0003370700000000, -0.0002277900000000, -0.0000857900000000 ] - [ -0.0006717100000000, -0.0001013900000000, -0.0012722500000000 ] - [ -0.0002271400000000, 0.0002989600000000, 0.0001616600000000 ] - [ 0.0001183100000000, 0.0000466100000000, 0.0000188100000000 ] - [ 0.0000948200000000, 0.0000916400000000, -0.0002600400000000 ] - [ -0.0000210200000000, -0.0001053700000000, 0.0001674600000000 ] - [ 0.0069386000000000, -0.0003687800000000, 0.0017477400000000 ] - [ -0.0002269100000000, 0.0001439800000000, 0.0001313100000000 ] - [ -0.0001031600000000, -0.0000066800000000, 0.0000038600000000 ] - [ -0.0000261600000000, 0.0002576300000000, 0.0001590800000000 ] - [ -0.0008616800000000, -0.0001047200000000, 0.0003196300000000 ] - [ 0.0002213500000000, 0.0003299500000000, -0.0004028200000000 ] - [ -0.0001036800000000, 0.0000012400000000, 0.0000935200000000 ] - [ -0.0001060200000000, 0.0000971800000000, 0.0002445100000000 ] - [ -0.0001393800000000, -0.0003870700000000, -0.0001782900000000 ] - [ -0.0002147100000000, 0.0002103500000000, -0.0004008500000000 ] - [ 0.0000522600000000, 0.0001491600000000, -0.0001002100000000 ] - [ 0.0012700600000000, -0.0002023800000000, -0.0002093100000000 ] - [ 0.0000222700000000, 0.0002517200000000, -0.0000092800000000 ] - [ -0.0065477000000000, 0.0001425700000000, 0.0003958400000000 ] - [ 0.0000634500000000, 0.0000588500000000, 0.0000672100000000 ] - [ 0.0000231100000000, 0.0000847700000000, 0.0001093100000000 ] - [ -0.0000999500000000, 0.0002252800000000, 0.0002736600000000 ] - [ 0.0000156000000000, 0.0000152700000000, 0.0000910100000000 ] - [ -0.0000442900000000, 0.0000795400000000, -0.0000749800000000 ] - [ -0.0002285300000000, -0.0001580100000000, 0.0001843700000000 ] - [ 0.0005784400000000, 0.0000055800000000, -0.0026113300000000 ] - [ -0.0001397900000000, 0.0001663900000000, -0.0006649700000000 ] - [ 0.0002573900000000, -0.0003665600000000, -0.0000503900000000 ] - [ -0.0000589900000000, -0.0002355500000000, 0.0000884500000000 ] - [ -0.0000718800000000, 0.0000924400000000, 0.0001776200000000 ] - [ -0.0000382900000000, 0.0002462300000000, 0.0001132800000000 ] - [ 0.0000746800000000, 0.0002204500000000, 0.0000432300000000 ] - [ 0.0008947200000000, 0.0012457200000000, 0.0006766200000000 ] - [ 0.0000429200000000, -0.0000289000000000, 0.0001355700000000 ] - [ -0.0002304300000000, -0.0005907500000000, 0.0002770400000000 ] - [ 0.0000188300000000, -0.0000868400000000, -0.0001915800000000 ] - [ -0.0000616800000000, -0.0002985700000000, 0.0000818000000000 ] - [ 0.0000327300000000, 0.0001023000000000, 0.0002371600000000 ] - [ 0.0006011700000000, -0.0002434000000000, 0.0025453500000000 ] - [ -0.0000272000000000, 0.0002273800000000, 0.0000686200000000 ] - [ 0.0054575500000000, 0.0015152800000000, -0.0010660800000000 ] - [ 0.0001686800000000, -0.0000620100000000, -0.0000361200000000 ] - [ -0.0007619200000000, 0.0002116000000000, 0.0004145900000000 ] - [ 0.0002382900000000, 0.0002209400000000, -0.0002398400000000 ] - [ -0.0000471100000000, 0.0001210800000000, 0.0003719700000000 ] - [ 0.0000099200000000, 0.0001102400000000, -0.0000772600000000 ] - [ 0.0009453100000000, -0.0015667300000000, -0.0009398200000000 ] - [ 0.0028627600000000, -0.0004732900000000, -0.0007222300000000 ] - [ -0.0007484600000000, 0.0000679600000000, 0.0000743000000000 ] - [ -0.0000819100000000, -0.0003008200000000, -0.0001157200000000 ] - [ 0.0027384400000000, 0.0004221700000000, -0.0004817000000000 ] - [ 0.0000180500000000, 0.0001621800000000, -0.0002843100000000 ] - [ -0.0004666800000000, -0.0000074500000000, -0.0000137500000000 ]- atom: 32 displacement: [ -0.0099999995909515, 0.0000000000000000, 0.0000028602394792 ] forces: - [ 0.0000747700000000, 0.0001297300000000, 0.0002419100000000 ] - [ -0.0003888600000000, -0.0002926500000000, -0.0000401800000000 ] - [ 0.0002632800000000, 0.0002973700000000, 0.0000990100000000 ] - [ -0.0032623300000000, -0.0038635600000000, 0.0009032000000000 ] - [ -0.0000109400000000, -0.0001235800000000, -0.0001895600000000 ] - [ -0.0005812500000000, 0.0002876500000000, -0.0001101100000000 ] - [ 0.0024019400000000, 0.0000037600000000, 0.0002758500000000 ] - [ -0.0016769500000000, 0.0024536100000000, 0.0006392500000000 ] - [ 0.0000085900000000, 0.0000399100000000, -0.0002611700000000 ] - [ -0.0017937500000000, 0.0000140000000000, -0.0027585200000000 ] - [ 0.0000148600000000, 0.0002555800000000, 0.0000073100000000 ] - [ 0.0000213600000000, -0.0000198000000000, 0.0000343500000000 ] - [ -0.0001216200000000, 0.0000373300000000, 0.0000666500000000 ] - [ 0.0000911300000000, -0.0001000100000000, 0.0001107600000000 ] - [ 0.0000055400000000, 0.0000917100000000, -0.0000666600000000 ] - [ -0.0000906000000000, 0.0000695800000000, -0.0001158700000000 ] - [ -0.0000539700000000, -0.0000737500000000, -0.0000633500000000 ] - [ -0.0006393200000000, -0.0001265000000000, -0.0000996100000000 ] - [ -0.0000553300000000, 0.0000735000000000, 0.0000906800000000 ] - [ -0.0000002700000000, 0.0002779000000000, 0.0000528100000000 ] - [ 0.0000067800000000, 0.0001926800000000, 0.0003037900000000 ] - [ -0.0027873200000000, -0.0003886100000000, 0.0040229600000000 ] - [ -0.0019882200000000, -0.0000634700000000, -0.0033665700000000 ] - [ -0.0000067900000000, 0.0001866200000000, -0.0000003200000000 ] - [ 0.0000866800000000, 0.0000507800000000, 0.0000257400000000 ] - [ -0.0013144800000000, -0.0001200200000000, -0.0001236000000000 ] - [ -0.0000171900000000, -0.0000849100000000, 0.0000873500000000 ] - [ 0.0000268700000000, -0.0002027800000000, 0.0002043500000000 ] - [ 0.0007636400000000, 0.0000785900000000, -0.0000336700000000 ] - [ 0.0001189100000000, -0.0003008500000000, -0.0000148600000000 ] - [ -0.0001141500000000, -0.0001186500000000, 0.0002932600000000 ] - [ 0.0328590400000000, 0.0014480500000000, -0.0017398800000000 ] - [ -0.0000010400000000, 0.0001692200000000, -0.0002201500000000 ] - [ 0.0000640000000000, -0.0001754200000000, 0.0001598300000000 ] - [ 0.0000164200000000, -0.0000908300000000, 0.0000715000000000 ] - [ -0.0019118200000000, 0.0003153000000000, 0.0023789900000000 ] - [ 0.0001154100000000, 0.0000127400000000, -0.0000390300000000 ] - [ -0.0000660300000000, 0.0001465800000000, -0.0000726600000000 ] - [ -0.0000009500000000, -0.0000146000000000, 0.0000283200000000 ] - [ -0.0000486900000000, -0.0000419000000000, -0.0000625000000000 ] - [ 0.0005874500000000, -0.0000969700000000, -0.0003006000000000 ] - [ -0.0000211200000000, 0.0001077900000000, 0.0000144600000000 ] - [ -0.0003409200000000, -0.0001582900000000, -0.0000100600000000 ] - [ 0.0000337100000000, -0.0001108600000000, -0.0002272700000000 ] - [ 0.0000540300000000, 0.0000429500000000, 0.0001195500000000 ] - [ -0.0000437900000000, 0.0000005500000000, -0.0001270800000000 ] - [ -0.0000046200000000, 0.0001901600000000, 0.0000032200000000 ] - [ -0.0001432600000000, -0.0001883900000000, 0.0002251700000000 ] - [ 0.0009000900000000, 0.0000349900000000, -0.0012062800000000 ] - [ 0.0003038800000000, -0.0000926300000000, 0.0003122600000000 ] - [ -0.0041706500000000, 0.0049458900000000, -0.0023777100000000 ] - [ -0.0003293200000000, 0.0003323200000000, 0.0001703500000000 ] - [ 0.0000714400000000, 0.0002164600000000, -0.0000824700000000 ] - [ -0.0002856300000000, 0.0001263400000000, -0.0002270500000000 ] - [ -0.0003234000000000, 0.0001156100000000, -0.0000957100000000 ] - [ -0.0006964200000000, 0.0001373200000000, -0.0004914800000000 ] - [ -0.0002254800000000, 0.0001233600000000, -0.0000618200000000 ] - [ -0.0038576800000000, -0.0048247900000000, 0.0020455600000000 ] - [ -0.0001471800000000, -0.0001865500000000, -0.0001839400000000 ] - [ 0.0004864700000000, -0.0003129300000000, 0.0015389900000000 ] - [ 0.0000428400000000, 0.0001153300000000, 0.0001044000000000 ] - [ 0.0003211000000000, 0.0001871700000000, 0.0002488800000000 ] - [ 0.0000423400000000, 0.0000982000000000, -0.0002075500000000 ] - [ -0.0001202800000000, -0.0000840500000000, 0.0002977100000000 ] - [ -0.0066393500000000, 0.0007135700000000, -0.0017616000000000 ] - [ 0.0000927500000000, 0.0000624500000000, -0.0003079100000000 ] - [ -0.0001016000000000, -0.0000398900000000, -0.0000739900000000 ] - [ 0.0000256500000000, -0.0000441500000000, -0.0003171000000000 ] - [ 0.0008163800000000, -0.0004191000000000, -0.0001409200000000 ] - [ -0.0001339100000000, -0.0005666700000000, 0.0001341600000000 ] - [ -0.0001278900000000, 0.0000279700000000, 0.0000450500000000 ] - [ -0.0000010400000000, 0.0000996100000000, 0.0002109900000000 ] - [ -0.0000299300000000, -0.0000521300000000, 0.0007024200000000 ] - [ 0.0002162600000000, -0.0004280600000000, 0.0002467300000000 ] - [ 0.0000313000000000, 0.0000814400000000, -0.0001711100000000 ] - [ -0.0011185600000000, -0.0002409500000000, -0.0003107900000000 ] - [ 0.0000206300000000, 0.0002857600000000, -0.0000912600000000 ] - [ 0.0064397300000000, -0.0003351600000000, 0.0000540400000000 ] - [ 0.0001411900000000, -0.0000132700000000, 0.0000028100000000 ] - [ -0.0000229200000000, 0.0001271800000000, 0.0000488700000000 ] - [ -0.0000552800000000, 0.0002174400000000, 0.0002464800000000 ] - [ 0.0000458300000000, 0.0000838400000000, 0.0001122300000000 ] - [ -0.0000175100000000, 0.0000218200000000, -0.0001278900000000 ] - [ 0.0000976500000000, -0.0000490200000000, -0.0003779500000000 ] - [ -0.0004468100000000, -0.0002169600000000, 0.0027983900000000 ] - [ 0.0002601600000000, 0.0000326500000000, 0.0002053200000000 ] - [ -0.0000324300000000, 0.0003938500000000, -0.0000903100000000 ] - [ -0.0000667800000000, -0.0002050300000000, -0.0001449500000000 ] - [ -0.0000116400000000, 0.0001349100000000, 0.0000955700000000 ] - [ -0.0000012600000000, 0.0002823300000000, 0.0000578200000000 ] - [ 0.0000521800000000, 0.0002196500000000, 0.0000171300000000 ] - [ -0.0011288000000000, -0.0012749000000000, -0.0005290600000000 ] - [ -0.0000479100000000, -0.0001435100000000, 0.0000566900000000 ] - [ 0.0002705700000000, 0.0000620800000000, -0.0004481300000000 ] - [ 0.0000909200000000, -0.0001101300000000, -0.0002638700000000 ] - [ 0.0000180200000000, -0.0002398300000000, 0.0000200800000000 ] - [ 0.0001001200000000, 0.0001054300000000, -0.0000538300000000 ] - [ -0.0004742800000000, -0.0002030800000000, -0.0024882100000000 ] - [ -0.0001022400000000, 0.0002127000000000, -0.0001345600000000 ] - [ -0.0059718300000000, -0.0014389000000000, 0.0008791500000000 ] - [ 0.0000608000000000, 0.0000351500000000, -0.0001037600000000 ] - [ 0.0007227800000000, 0.0003251300000000, -0.0003196500000000 ] - [ -0.0000858500000000, 0.0002217900000000, -0.0002788900000000 ] - [ 0.0001086600000000, -0.0002206700000000, -0.0001681900000000 ] - [ -0.0000057100000000, 0.0000590200000000, -0.0001166800000000 ] - [ -0.0008982000000000, 0.0010269300000000, 0.0008441100000000 ] - [ -0.0028703900000000, 0.0002670900000000, 0.0008962200000000 ] - [ 0.0009561900000000, -0.0001097400000000, -0.0000103500000000 ] - [ -0.0000020600000000, 0.0000708600000000, 0.0003882700000000 ] - [ -0.0027410400000000, -0.0002393900000000, 0.0006427400000000 ] - [ 0.0000230800000000, 0.0003645300000000, 0.0001106500000000 ] - [ 0.0004034100000000, -0.0000938700000000, -0.0001860800000000 ]- atom: 32 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000115100000000, 0.0001335800000000, 0.0000755900000000 ] - [ -0.0002601200000000, -0.0003311900000000, -0.0002156400000000 ] - [ 0.0002238900000000, 0.0002782600000000, 0.0000434500000000 ] - [ 0.0042726200000000, 0.0027049600000000, -0.0012481500000000 ] - [ 0.0000288100000000, -0.0001198000000000, -0.0002535100000000 ] - [ -0.0002082400000000, 0.0003370900000000, 0.0003823600000000 ] - [ -0.0001739400000000, 0.0056777900000000, 0.0063464100000000 ] - [ -0.0028362000000000, 0.0019816800000000, 0.0007493000000000 ] - [ 0.0001048000000000, 0.0007147800000000, 0.0001775800000000 ] - [ 0.0000761100000000, -0.0010877000000000, 0.0002319200000000 ] - [ -0.0000169400000000, 0.0006598200000000, 0.0000388500000000 ] - [ 0.0000099500000000, -0.0004254900000000, 0.0000373200000000 ] - [ -0.0001639800000000, -0.0000794200000000, 0.0000711100000000 ] - [ 0.0000846300000000, -0.0001779200000000, 0.0000667800000000 ] - [ 0.0000522300000000, -0.0000910400000000, -0.0000925800000000 ] - [ -0.0000641900000000, -0.0000191700000000, -0.0001704200000000 ] - [ 0.0000678700000000, 0.0001214700000000, -0.0000903400000000 ] - [ -0.0000500000000000, 0.0006676500000000, 0.0000268900000000 ] - [ -0.0000725500000000, 0.0001905900000000, 0.0000998300000000 ] - [ 0.0000199900000000, 0.0001795100000000, 0.0000501600000000 ] - [ 0.0001226600000000, 0.0003047700000000, 0.0000939200000000 ] - [ 0.0005285300000000, -0.0016985100000000, -0.0004230800000000 ] - [ -0.0000950400000000, -0.0014905200000000, -0.0001211200000000 ] - [ -0.0000750100000000, 0.0002867600000000, -0.0000597700000000 ] - [ 0.0000124600000000, 0.0003436400000000, 0.0000433000000000 ] - [ -0.0000552400000000, -0.0009884200000000, -0.0000432800000000 ] - [ -0.0002274400000000, -0.0003407900000000, 0.0001715700000000 ] - [ 0.0000906700000000, -0.0003083600000000, 0.0002951700000000 ] - [ 0.0000829400000000, 0.0014065700000000, -0.0000440000000000 ] - [ 0.0000138800000000, -0.0006562500000000, 0.0000524600000000 ] - [ -0.0002577100000000, 0.0004966400000000, 0.0000992200000000 ] - [ -0.0017295000000000, -0.0266785800000000, -0.0057219900000000 ] - [ -0.0000082800000000, 0.0000807100000000, -0.0002068500000000 ] - [ 0.0000253400000000, -0.0000007700000000, -0.0000031800000000 ] - [ -0.0000034900000000, -0.0002399800000000, -0.0000784000000000 ] - [ -0.0003126800000000, -0.0011164800000000, 0.0002693900000000 ] - [ 0.0001228900000000, 0.0001942800000000, -0.0000724900000000 ] - [ -0.0000616000000000, 0.0002081800000000, -0.0001041300000000 ] - [ 0.0000176000000000, 0.0000978800000000, 0.0000343700000000 ] - [ 0.0001212900000000, -0.0002751400000000, -0.0001096700000000 ] - [ -0.0000328500000000, 0.0014800800000000, -0.0012301800000000 ] - [ -0.0000185200000000, 0.0000410500000000, -0.0000317000000000 ] - [ 0.0000276700000000, 0.0000501800000000, -0.0002008200000000 ] - [ 0.0001033100000000, 0.0002734000000000, -0.0000882700000000 ] - [ 0.0000503600000000, 0.0001440300000000, 0.0000939000000000 ] - [ -0.0000070300000000, 0.0000847000000000, -0.0001785500000000 ] - [ 0.0000159100000000, 0.0001256100000000, 0.0000413300000000 ] - [ -0.0002112700000000, 0.0005913700000000, 0.0000989300000000 ] - [ 0.0003554600000000, -0.0003260700000000, -0.0012692600000000 ] - [ -0.0000304100000000, 0.0000442300000000, 0.0011858200000000 ] - [ -0.0011762700000000, 0.0025491900000000, -0.0016039400000000 ] - [ -0.0007545300000000, -0.0001399500000000, 0.0001030900000000 ] - [ 0.0001853500000000, 0.0001217700000000, -0.0004070100000000 ] - [ -0.0002427200000000, 0.0025926900000000, -0.0022686200000000 ] - [ -0.0002945000000000, 0.0001544300000000, -0.0000096300000000 ] - [ 0.0006448100000000, 0.0027237300000000, 0.0021221400000000 ] - [ 0.0000034700000000, 0.0000389700000000, -0.0009772300000000 ] - [ 0.0013178200000000, 0.0031453400000000, -0.0015605900000000 ] - [ 0.0010182700000000, -0.0000296700000000, 0.0000284900000000 ] - [ -0.0001980000000000, -0.0005072000000000, -0.0014021000000000 ] - [ 0.0001678100000000, 0.0003042300000000, 0.0004210500000000 ] - [ -0.0000507800000000, 0.0002472700000000, 0.0004165700000000 ] - [ 0.0000948800000000, 0.0001080600000000, -0.0000980800000000 ] - [ -0.0001988400000000, -0.0000679900000000, 0.0004651800000000 ] - [ 0.0026171700000000, 0.0034329000000000, 0.0008584500000000 ] - [ -0.0003324300000000, -0.0000360400000000, 0.0013015800000000 ] - [ -0.0000764400000000, -0.0001641900000000, -0.0000140200000000 ] - [ 0.0000001100000000, 0.0002920900000000, -0.0004124400000000 ] - [ 0.0001314000000000, 0.0004368800000000, 0.0000038400000000 ] - [ 0.0003791900000000, -0.0017751000000000, 0.0001790800000000 ] - [ -0.0001463000000000, 0.0001349500000000, 0.0000889900000000 ] - [ -0.0000608500000000, 0.0001005400000000, 0.0002719500000000 ] - [ -0.0013830900000000, -0.0002364500000000, -0.0002066900000000 ] - [ 0.0001477800000000, -0.0006721800000000, 0.0003135600000000 ] - [ 0.0000855000000000, 0.0004572500000000, 0.0000116700000000 ] - [ 0.0001513000000000, -0.0002940000000000, -0.0001552200000000 ] - [ 0.0000524400000000, 0.0003942000000000, -0.0000253100000000 ] - [ -0.0002493700000000, -0.0005085200000000, 0.0003736200000000 ] - [ 0.0001260000000000, -0.0002110800000000, 0.0000283500000000 ] - [ 0.0001182600000000, -0.0001821000000000, 0.0003063000000000 ] - [ -0.0003081900000000, 0.0001977100000000, 0.0002731400000000 ] - [ -0.0000056900000000, -0.0002299700000000, -0.0000553800000000 ] - [ -0.0000570200000000, 0.0002904500000000, -0.0000480800000000 ] - [ 0.0004024300000000, -0.0000652000000000, -0.0020133500000000 ] - [ -0.0001897500000000, -0.0002119700000000, 0.0021826500000000 ] - [ 0.0009339500000000, -0.0000624700000000, 0.0002009500000000 ] - [ -0.0001147500000000, -0.0013195900000000, 0.0003251400000000 ] - [ -0.0001717800000000, -0.0001799300000000, -0.0003808100000000 ] - [ -0.0000153000000000, -0.0001920600000000, 0.0000136700000000 ] - [ -0.0000648500000000, 0.0000904400000000, 0.0001691900000000 ] - [ 0.0000016300000000, 0.0002405900000000, -0.0002126200000000 ] - [ 0.0000423700000000, -0.0016595600000000, -0.0001799600000000 ] - [ -0.0000618900000000, -0.0005617800000000, -0.0000706100000000 ] - [ -0.0001728400000000, -0.0008424300000000, 0.0003266100000000 ] - [ 0.0004374800000000, -0.0000665600000000, -0.0002264200000000 ] - [ 0.0000105900000000, -0.0000559500000000, 0.0000293300000000 ] - [ 0.0001423800000000, 0.0001099600000000, -0.0001677300000000 ] - [ 0.0001505900000000, -0.0003242600000000, 0.0022570700000000 ] - [ 0.0000526500000000, 0.0002328800000000, 0.0003531200000000 ] - [ -0.0017654700000000, 0.0027743800000000, 0.0003793600000000 ] - [ -0.0000136100000000, 0.0002796100000000, -0.0001741500000000 ] - [ -0.0003780300000000, -0.0003289000000000, 0.0003595900000000 ] - [ 0.0000868600000000, 0.0002513500000000, -0.0008619100000000 ] - [ -0.0000477500000000, 0.0007603100000000, 0.0003355600000000 ] - [ -0.0000340300000000, -0.0000704700000000, -0.0000914800000000 ] - [ -0.0000407300000000, -0.0022400700000000, -0.0005655900000000 ] - [ -0.0013243500000000, 0.0036753000000000, 0.0029344300000000 ] - [ -0.0000706900000000, 0.0007374200000000, -0.0000539600000000 ] - [ 0.0000105700000000, 0.0006318200000000, 0.0003913100000000 ] - [ 0.0007274500000000, 0.0026675900000000, -0.0018730400000000 ] - [ 0.0000181500000000, 0.0004496200000000, -0.0003831600000000 ] - [ 0.0000710000000000, -0.0008379400000000, -0.0001454500000000 ]- atom: 32 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000107000000000, 0.0001153400000000, 0.0003651100000000 ] - [ -0.0002611600000000, -0.0002592300000000, 0.0000830500000000 ] - [ 0.0002965600000000, 0.0003112600000000, 0.0000856500000000 ] - [ -0.0043437600000000, -0.0024702800000000, 0.0008198700000000 ] - [ -0.0000510500000000, -0.0001293600000000, -0.0001861700000000 ] - [ -0.0003122900000000, 0.0002515700000000, -0.0005112300000000 ] - [ 0.0001959000000000, -0.0058535300000000, -0.0058083600000000 ] - [ 0.0033893300000000, -0.0025863500000000, -0.0006302300000000 ] - [ -0.0000660200000000, -0.0004940800000000, -0.0001641900000000 ] - [ 0.0000315200000000, 0.0013693900000000, -0.0000669700000000 ] - [ 0.0000137100000000, -0.0000942800000000, -0.0001150700000000 ] - [ -0.0000064600000000, 0.0003929300000000, -0.0000651000000000 ] - [ -0.0000933100000000, 0.0001415700000000, 0.0000650000000000 ] - [ 0.0000910800000000, -0.0000156900000000, 0.0001062300000000 ] - [ 0.0000603200000000, 0.0002618500000000, -0.0000744500000000 ] - [ -0.0001111800000000, 0.0002102900000000, 0.0000005500000000 ] - [ 0.0000437200000000, -0.0002901200000000, -0.0000805200000000 ] - [ 0.0000122000000000, -0.0008910900000000, -0.0000450100000000 ] - [ -0.0000387100000000, -0.0000187200000000, 0.0000686700000000 ] - [ -0.0000171800000000, 0.0003849800000000, 0.0000287800000000 ] - [ -0.0001016600000000, 0.0000214200000000, 0.0003714500000000 ] - [ -0.0006576100000000, 0.0015222400000000, 0.0006081100000000 ] - [ 0.0001066500000000, 0.0015205300000000, 0.0001642400000000 ] - [ 0.0000414100000000, 0.0000811700000000, 0.0000696500000000 ] - [ -0.0000095600000000, -0.0003119000000000, -0.0000706300000000 ] - [ -0.0000654300000000, 0.0007089200000000, -0.0001331900000000 ] - [ 0.0001929600000000, -0.0000265000000000, -0.0001618700000000 ] - [ -0.0000693400000000, -0.0000171400000000, 0.0001703700000000 ] - [ 0.0000933100000000, -0.0012184600000000, 0.0002140600000000 ] - [ -0.0000170000000000, 0.0000914600000000, -0.0001294600000000 ] - [ 0.0000010200000000, -0.0005595900000000, 0.0000367000000000 ] - [ 0.0017717700000000, 0.0265485700000000, 0.0059084600000000 ] - [ -0.0000130000000000, 0.0002434300000000, -0.0002576600000000 ] - [ 0.0000958700000000, -0.0002837600000000, 0.0001827100000000 ] - [ 0.0000402200000000, 0.0000219200000000, 0.0000897900000000 ] - [ 0.0002261100000000, 0.0011985200000000, -0.0004734800000000 ] - [ 0.0001339300000000, -0.0001309800000000, -0.0000637200000000 ] - [ -0.0000579000000000, 0.0000765100000000, -0.0000730300000000 ] - [ -0.0000199900000000, -0.0001285200000000, -0.0000056800000000 ] - [ 0.0001365600000000, 0.0002121800000000, -0.0000253300000000 ] - [ 0.0000112100000000, -0.0017908800000000, 0.0007534700000000 ] - [ -0.0000185300000000, 0.0001771200000000, 0.0000202600000000 ] - [ 0.0000054200000000, -0.0004182800000000, 0.0001923200000000 ] - [ -0.0001002600000000, -0.0008389000000000, 0.0001659500000000 ] - [ 0.0000462400000000, -0.0000583100000000, 0.0001058100000000 ] - [ -0.0000899100000000, -0.0001694800000000, -0.0000186700000000 ] - [ 0.0000169200000000, 0.0002417000000000, -0.0000501800000000 ] - [ 0.0000338700000000, -0.0007867100000000, -0.0002702600000000 ] - [ 0.0000894500000000, 0.0000869400000000, 0.0015283400000000 ] - [ 0.0005987300000000, -0.0002711700000000, -0.0008338800000000 ] - [ 0.0005913500000000, -0.0027977500000000, 0.0012572000000000 ] - [ 0.0006162200000000, 0.0003330300000000, 0.0003744700000000 ] - [ 0.0000028800000000, 0.0002956000000000, 0.0001502700000000 ] - [ 0.0008080400000000, -0.0023395200000000, 0.0026331600000000 ] - [ -0.0002746100000000, 0.0000742700000000, -0.0003361200000000 ] - [ -0.0010808000000000, -0.0029472100000000, -0.0023882900000000 ] - [ -0.0004483200000000, 0.0001961000000000, 0.0007166300000000 ] - [ -0.0011627200000000, -0.0033522800000000, 0.0010877800000000 ] - [ -0.0008249700000000, -0.0003837000000000, -0.0002876400000000 ] - [ 0.0000087300000000, 0.0000835400000000, 0.0016603700000000 ] - [ -0.0003535100000000, 0.0001139400000000, -0.0001599800000000 ] - [ 0.0004932300000000, -0.0000136500000000, -0.0001551700000000 ] - [ 0.0000437800000000, 0.0000844900000000, -0.0003778200000000 ] - [ 0.0000603600000000, -0.0001218300000000, 0.0000127800000000 ] - [ -0.0026650100000000, -0.0033113400000000, -0.0009191500000000 ] - [ 0.0002051000000000, 0.0002358800000000, -0.0015034600000000 ] - [ -0.0001215400000000, 0.0001077000000000, -0.0000564400000000 ] - [ 0.0000000900000000, -0.0000738000000000, 0.0002517000000000 ] - [ -0.0001732200000000, -0.0009711200000000, 0.0001791800000000 ] - [ -0.0002939000000000, 0.0015427100000000, -0.0004361700000000 ] - [ -0.0000881900000000, -0.0001010200000000, 0.0000501300000000 ] - [ -0.0000504700000000, 0.0000924400000000, 0.0001876700000000 ] - [ 0.0012123400000000, -0.0002037400000000, 0.0007322300000000 ] - [ -0.0001510600000000, 0.0004549200000000, -0.0004767600000000 ] - [ -0.0000056400000000, -0.0002323500000000, -0.0002778200000000 ] - [ 0.0000074200000000, -0.0001483600000000, -0.0003676200000000 ] - [ -0.0000052500000000, 0.0001504600000000, -0.0000761900000000 ] - [ 0.0001394400000000, 0.0003197700000000, 0.0000841800000000 ] - [ 0.0000727600000000, 0.0002633600000000, 0.0000398100000000 ] - [ -0.0001172300000000, 0.0003993700000000, -0.0001449800000000 ] - [ 0.0001484400000000, 0.0002443700000000, 0.0002496300000000 ] - [ 0.0000603300000000, 0.0003203200000000, 0.0002527800000000 ] - [ 0.0000021400000000, -0.0001995800000000, -0.0001507000000000 ] - [ -0.0005286000000000, -0.0001376900000000, 0.0017937700000000 ] - [ 0.0003198800000000, 0.0000090200000000, -0.0019758300000000 ] - [ -0.0008135100000000, 0.0002557000000000, -0.0006657500000000 ] - [ 0.0003413100000000, 0.0013435000000000, -0.0004817100000000 ] - [ 0.0000379600000000, -0.0002570800000000, 0.0002951800000000 ] - [ -0.0000633500000000, 0.0004166100000000, 0.0002520100000000 ] - [ 0.0000265800000000, 0.0004415700000000, 0.0000089900000000 ] - [ 0.0001316500000000, 0.0001968000000000, 0.0002958600000000 ] - [ -0.0002617500000000, 0.0016323400000000, 0.0003286700000000 ] - [ 0.0000638900000000, 0.0004002900000000, 0.0002619900000000 ] - [ 0.0002151600000000, 0.0003136800000000, -0.0005080100000000 ] - [ -0.0003261900000000, -0.0001267600000000, -0.0002335800000000 ] - [ -0.0000591600000000, -0.0004906900000000, 0.0000728900000000 ] - [ -0.0000154800000000, 0.0000928900000000, 0.0003765200000000 ] - [ -0.0000233400000000, -0.0001161700000000, -0.0021772400000000 ] - [ -0.0001875600000000, 0.0002040700000000, -0.0004381800000000 ] - [ 0.0016624100000000, -0.0029014500000000, -0.0005739000000000 ] - [ 0.0002482000000000, -0.0003131700000000, 0.0000339000000000 ] - [ 0.0003320800000000, 0.0008741700000000, -0.0002627200000000 ] - [ 0.0000709700000000, 0.0001905900000000, 0.0003342500000000 ] - [ 0.0001021800000000, -0.0008475300000000, -0.0001371000000000 ] - [ 0.0000318100000000, 0.0002285200000000, -0.0001021300000000 ] - [ 0.0000765700000000, 0.0017056600000000, 0.0004743200000000 ] - [ 0.0013508400000000, -0.0039650900000000, -0.0029497200000000 ] - [ 0.0002701600000000, -0.0007944000000000, 0.0001227000000000 ] - [ -0.0000896500000000, -0.0008539700000000, -0.0001248100000000 ] - [ -0.0007252000000000, -0.0025160400000000, 0.0021267100000000 ] - [ 0.0000209000000000, 0.0000804900000000, 0.0002032000000000 ] - [ -0.0001304000000000, 0.0007405800000000, -0.0000462000000000 ]- atom: 32 displacement: [ -0.0000185648863736, 0.0000000000000000, 0.0099999827672348 ] forces: - [ -0.0000180500000000, 0.0001733300000000, 0.0006327100000000 ] - [ -0.0002374300000000, -0.0002624900000000, 0.0003290900000000 ] - [ 0.0003201700000000, 0.0003556900000000, 0.0006046500000000 ] - [ -0.0007869800000000, -0.0003286800000000, -0.0022972400000000 ] - [ -0.0000260300000000, -0.0000805000000000, 0.0003158700000000 ] - [ -0.0002517100000000, 0.0003526600000000, -0.0004584400000000 ] - [ -0.0000609200000000, 0.0057387700000000, 0.0019967500000000 ] - [ -0.0004273900000000, 0.0003301600000000, -0.0017769300000000 ] - [ 0.0003018600000000, -0.0001004300000000, -0.0003219100000000 ] - [ 0.0028603200000000, 0.0005176100000000, 0.0017206000000000 ] - [ -0.0000231400000000, 0.0001132700000000, 0.0002342200000000 ] - [ -0.0000452800000000, 0.0002102900000000, 0.0005604200000000 ] - [ -0.0000497300000000, 0.0000916200000000, 0.0002760300000000 ] - [ 0.0000605400000000, -0.0001386900000000, 0.0005027600000000 ] - [ 0.0000463200000000, 0.0001569900000000, -0.0000031300000000 ] - [ -0.0000821700000000, 0.0000094300000000, 0.0002286800000000 ] - [ 0.0000785300000000, -0.0000574400000000, 0.0000267300000000 ] - [ -0.0000882200000000, -0.0001511300000000, -0.0004846200000000 ] - [ 0.0000066000000000, 0.0000224500000000, 0.0002795800000000 ] - [ -0.0000483100000000, 0.0003513200000000, 0.0002250800000000 ] - [ -0.0002350300000000, -0.0000125800000000, 0.0004055400000000 ] - [ -0.0041783000000000, -0.0004212500000000, 0.0026746000000000 ] - [ 0.0035921900000000, -0.0001052500000000, 0.0024925800000000 ] - [ 0.0001387000000000, 0.0001150000000000, 0.0002234300000000 ] - [ -0.0000201200000000, 0.0002152500000000, 0.0002329700000000 ] - [ -0.0000991300000000, -0.0000414300000000, -0.0006389500000000 ] - [ -0.0003205400000000, -0.0001816100000000, 0.0003304300000000 ] - [ 0.0001267200000000, -0.0002105200000000, 0.0004868800000000 ] - [ 0.0002190900000000, 0.0001565400000000, -0.0009715100000000 ] - [ 0.0000085100000000, -0.0004740000000000, 0.0004459500000000 ] - [ -0.0003380600000000, 0.0001321700000000, -0.0000180400000000 ] - [ 0.0019305400000000, -0.0055952500000000, -0.0355980900000000 ] - [ -0.0000192900000000, 0.0002254500000000, -0.0000210900000000 ] - [ 0.0000351700000000, -0.0000375300000000, 0.0003706800000000 ] - [ 0.0000084200000000, -0.0002076700000000, 0.0003137800000000 ] - [ -0.0025232700000000, 0.0004202000000000, 0.0010036900000000 ] - [ 0.0001413200000000, -0.0000201400000000, -0.0000331400000000 ] - [ -0.0000399900000000, 0.0001803300000000, 0.0002398600000000 ] - [ -0.0000612100000000, -0.0000838900000000, 0.0002066800000000 ] - [ 0.0001357300000000, -0.0000885000000000, 0.0000488800000000 ] - [ 0.0000327600000000, -0.0008925000000000, -0.0003186000000000 ] - [ 0.0000022700000000, 0.0000680600000000, 0.0003265700000000 ] - [ 0.0000096000000000, -0.0001338800000000, -0.0001039300000000 ] - [ 0.0001916400000000, -0.0000770800000000, -0.0002847300000000 ] - [ 0.0000228300000000, 0.0000556800000000, 0.0005427100000000 ] - [ -0.0000154900000000, 0.0000315300000000, 0.0002231000000000 ] - [ 0.0000221200000000, 0.0002033700000000, 0.0001424500000000 ] - [ -0.0004187500000000, -0.0002714400000000, -0.0003652200000000 ] - [ 0.0004735300000000, -0.0004505100000000, 0.0000185800000000 ] - [ -0.0001695100000000, 0.0001545300000000, 0.0020421600000000 ] - [ 0.0003883200000000, -0.0006995600000000, -0.0002082600000000 ] - [ 0.0017021400000000, -0.0000522500000000, 0.0002194400000000 ] - [ -0.0000916600000000, 0.0002797800000000, 0.0004081700000000 ] - [ 0.0023657200000000, -0.0050446100000000, 0.0031914700000000 ] - [ -0.0003503300000000, 0.0001906100000000, 0.0006064100000000 ] - [ 0.0023832600000000, 0.0039052400000000, 0.0030085200000000 ] - [ -0.0006121400000000, 0.0001136500000000, 0.0015771900000000 ] - [ -0.0000882100000000, -0.0003454600000000, -0.0005345100000000 ] - [ 0.0017473300000000, -0.0000019200000000, 0.0002355000000000 ] - [ -0.0002981500000000, -0.0006094100000000, 0.0000810800000000 ] - [ -0.0000286700000000, 0.0001494100000000, 0.0009235900000000 ] - [ 0.0001002500000000, 0.0000938600000000, 0.0009410300000000 ] - [ 0.0001314000000000, 0.0001335600000000, 0.0005772100000000 ] - [ -0.0002613000000000, -0.0000274000000000, 0.0009938200000000 ] - [ 0.0003056000000000, 0.0001475000000000, 0.0032047200000000 ] - [ 0.0006569500000000, 0.0000876400000000, -0.0032586400000000 ] - [ -0.0000141400000000, -0.0003191600000000, -0.0005232800000000 ] - [ 0.0002058100000000, -0.0003229100000000, -0.0004411100000000 ] - [ -0.0000333400000000, -0.0000061500000000, 0.0005763800000000 ] - [ 0.0005129300000000, -0.0022481900000000, 0.0010414400000000 ] - [ -0.0002145400000000, 0.0002496700000000, -0.0004373300000000 ] - [ -0.0000034300000000, 0.0000895900000000, 0.0000130300000000 ] - [ -0.0032802100000000, -0.0002593000000000, 0.0004652600000000 ] - [ -0.0001230400000000, -0.0001190100000000, -0.0003280400000000 ] - [ -0.0000643600000000, -0.0003617600000000, -0.0006418100000000 ] - [ 0.0000733300000000, -0.0001841700000000, -0.0005476100000000 ] - [ 0.0001232200000000, 0.0005358500000000, -0.0005703600000000 ] - [ -0.0004301800000000, -0.0000036800000000, 0.0003411200000000 ] - [ 0.0002041300000000, -0.0003694300000000, -0.0004485100000000 ] - [ -0.0002916100000000, 0.0006422800000000, -0.0006931600000000 ] - [ 0.0003907900000000, 0.0002432200000000, 0.0000594100000000 ] - [ -0.0001087800000000, 0.0003853500000000, -0.0000754100000000 ] - [ 0.0000367000000000, -0.0002270100000000, -0.0004196400000000 ] - [ 0.0009283000000000, 0.0001582700000000, -0.0034898600000000 ] - [ -0.0004363600000000, -0.0000467300000000, 0.0008802900000000 ] - [ -0.0035088100000000, 0.0004689500000000, 0.0001376200000000 ] - [ 0.0012503800000000, 0.0018231900000000, 0.0011899500000000 ] - [ -0.0003827400000000, -0.0001656600000000, -0.0011123700000000 ] - [ 0.0001396500000000, 0.0004123800000000, -0.0000642900000000 ] - [ 0.0000895700000000, 0.0005336700000000, -0.0003537300000000 ] - [ -0.0002592400000000, 0.0002571300000000, -0.0012201100000000 ] - [ 0.0000718300000000, 0.0001666900000000, 0.0010335700000000 ] - [ -0.0001264900000000, -0.0008229000000000, -0.0005969000000000 ] - [ 0.0001321800000000, -0.0002257900000000, -0.0003433400000000 ] - [ 0.0006587300000000, -0.0000799100000000, -0.0005028300000000 ] - [ 0.0000847200000000, 0.0000805800000000, -0.0004942400000000 ] - [ 0.0003782300000000, 0.0001044700000000, -0.0011517800000000 ] - [ 0.0007776100000000, 0.0000157100000000, 0.0009673100000000 ] - [ -0.0002585100000000, 0.0001278000000000, -0.0008166800000000 ] - [ -0.0000978500000000, 0.0001974900000000, 0.0032736900000000 ] - [ -0.0001211300000000, 0.0004344200000000, -0.0007321200000000 ] - [ -0.0001949200000000, 0.0009357500000000, 0.0008415900000000 ] - [ 0.0000712100000000, 0.0001900800000000, -0.0005472600000000 ] - [ 0.0001195400000000, 0.0003574200000000, -0.0001892900000000 ] - [ -0.0000762200000000, -0.0002287400000000, -0.0005594400000000 ] - [ -0.0002974600000000, -0.0002828100000000, 0.0007567500000000 ] - [ -0.0021634700000000, 0.0003435000000000, 0.0074341300000000 ] - [ -0.0000762400000000, -0.0005872200000000, 0.0005898000000000 ] - [ -0.0001252400000000, 0.0002552000000000, -0.0001062200000000 ] - [ -0.0015123700000000, 0.0002804200000000, 0.0088436000000000 ] - [ -0.0001208300000000, -0.0001485400000000, -0.0004297300000000 ] - [ -0.0001593000000000, -0.0005580300000000, 0.0004155900000000 ]- atom: 32 displacement: [ 0.0000185648863736, 0.0000000000000000, -0.0099999827672348 ] forces: - [ 0.0000407700000000, 0.0000744400000000, -0.0001917000000000 ] - [ -0.0002838500000000, -0.0003296800000000, -0.0004608200000000 ] - [ 0.0001996400000000, 0.0002353900000000, -0.0004800600000000 ] - [ 0.0007786000000000, 0.0005905900000000, 0.0018472300000000 ] - [ 0.0000029500000000, -0.0001667900000000, -0.0007585200000000 ] - [ -0.0002686400000000, 0.0002388400000000, 0.0003302900000000 ] - [ 0.0000838400000000, -0.0059243400000000, -0.0015584900000000 ] - [ 0.0009381100000000, -0.0009131700000000, 0.0019116000000000 ] - [ -0.0002634200000000, 0.0003218100000000, 0.0003329400000000 ] - [ -0.0027099100000000, -0.0002387700000000, -0.0015347500000000 ] - [ 0.0000185800000000, 0.0004535900000000, -0.0003112600000000 ] - [ 0.0000491500000000, -0.0002405100000000, -0.0005871600000000 ] - [ -0.0002058500000000, -0.0000231800000000, -0.0001331900000000 ] - [ 0.0001159400000000, -0.0000566600000000, -0.0003306400000000 ] - [ 0.0000610300000000, 0.0000234500000000, -0.0001656800000000 ] - [ -0.0000919800000000, 0.0001863900000000, -0.0003967500000000 ] - [ 0.0000325200000000, -0.0001194500000000, -0.0002010400000000 ] - [ 0.0000513200000000, -0.0000693500000000, 0.0004660800000000 ] - [ -0.0001121400000000, 0.0001553600000000, -0.0001048900000000 ] - [ 0.0000524400000000, 0.0002149300000000, -0.0001492200000000 ] - [ 0.0002556600000000, 0.0003318400000000, 0.0000582500000000 ] - [ 0.0041185000000000, 0.0002416900000000, -0.0025225600000000 ] - [ -0.0036415300000000, 0.0001307700000000, -0.0024835200000000 ] - [ -0.0001716600000000, 0.0002476800000000, -0.0002138400000000 ] - [ 0.0000250800000000, -0.0001868200000000, -0.0002632900000000 ] - [ -0.0000211900000000, -0.0002380500000000, 0.0004697000000000 ] - [ 0.0002878500000000, -0.0001815300000000, -0.0003208800000000 ] - [ -0.0001068100000000, -0.0001073000000000, -0.0000229900000000 ] - [ -0.0000416700000000, 0.0000399300000000, 0.0011399200000000 ] - [ -0.0000131800000000, -0.0000919900000000, -0.0005259800000000 ] - [ 0.0000837200000000, -0.0002013000000000, 0.0001652600000000 ] - [ -0.0018525200000000, 0.0060351200000000, 0.0356787100000000 ] - [ -0.0000025000000000, 0.0000930800000000, -0.0004440400000000 ] - [ 0.0000853600000000, -0.0002455700000000, -0.0001992600000000 ] - [ 0.0000268100000000, -0.0000100400000000, -0.0003040700000000 ] - [ 0.0024016600000000, -0.0003321400000000, -0.0011913000000000 ] - [ 0.0001140000000000, 0.0000932200000000, -0.0001173200000000 ] - [ -0.0000826700000000, 0.0001040300000000, -0.0004083500000000 ] - [ 0.0000553600000000, 0.0000563200000000, -0.0001767800000000 ] - [ 0.0001211800000000, 0.0000158000000000, -0.0001982600000000 ] - [ -0.0000547500000000, 0.0005786300000000, -0.0001429200000000 ] - [ -0.0000378000000000, 0.0001500800000000, -0.0003391800000000 ] - [ 0.0000233500000000, -0.0002275600000000, 0.0000956600000000 ] - [ -0.0001878700000000, -0.0004894300000000, 0.0003628000000000 ] - [ 0.0000735500000000, 0.0000327000000000, -0.0003397000000000 ] - [ -0.0000811200000000, -0.0001181800000000, -0.0004261300000000 ] - [ 0.0000105500000000, 0.0001591800000000, -0.0001528000000000 ] - [ 0.0002411200000000, 0.0000727100000000, 0.0001947400000000 ] - [ -0.0000252200000000, 0.0002134100000000, 0.0002451300000000 ] - [ 0.0007438600000000, -0.0003846900000000, -0.0016879200000000 ] - [ -0.0009554400000000, 0.0004657700000000, -0.0001359900000000 ] - [ -0.0018354900000000, 0.0002412300000000, 0.0002537600000000 ] - [ 0.0002867100000000, 0.0001410800000000, -0.0006701300000000 ] - [ -0.0017889400000000, 0.0052576700000000, -0.0028189600000000 ] - [ -0.0002233300000000, 0.0000395600000000, -0.0009628800000000 ] - [ -0.0028369500000000, -0.0041671700000000, -0.0032923400000000 ] - [ 0.0001608700000000, 0.0001205300000000, -0.0018384000000000 ] - [ 0.0002222600000000, 0.0001383900000000, 0.0000722000000000 ] - [ -0.0015487700000000, -0.0004112900000000, -0.0004995200000000 ] - [ 0.0001028900000000, 0.0001854000000000, 0.0001843400000000 ] - [ -0.0001689700000000, 0.0002751300000000, -0.0006557000000000 ] - [ 0.0003486300000000, 0.0001442600000000, -0.0006781700000000 ] - [ 0.0000091900000000, 0.0000594700000000, -0.0010551700000000 ] - [ 0.0001224900000000, -0.0001570100000000, -0.0005153800000000 ] - [ -0.0005214000000000, -0.0001017100000000, -0.0032678400000000 ] - [ -0.0007785600000000, 0.0000981200000000, 0.0030334900000000 ] - [ -0.0001762800000000, 0.0002674700000000, 0.0004644800000000 ] - [ -0.0001997700000000, 0.0005624000000000, 0.0002795100000000 ] - [ -0.0000049900000000, -0.0005388100000000, -0.0003971200000000 ] - [ -0.0004404700000000, 0.0020368900000000, -0.0013043900000000 ] - [ -0.0000253900000000, -0.0002154700000000, 0.0005813500000000 ] - [ -0.0001044400000000, 0.0000986700000000, 0.0004511200000000 ] - [ 0.0031119700000000, -0.0001736700000000, 0.0000593000000000 ] - [ 0.0001284100000000, -0.0001242700000000, 0.0001674200000000 ] - [ 0.0001334600000000, 0.0005832800000000, 0.0003825900000000 ] - [ 0.0000885400000000, -0.0002594100000000, 0.0000249300000000 ] - [ -0.0000743800000000, 0.0000106900000000, 0.0004761200000000 ] - [ 0.0003227800000000, -0.0001808200000000, 0.0001193100000000 ] - [ -0.0000129300000000, 0.0004176900000000, 0.0005057700000000 ] - [ 0.0002867700000000, -0.0004036200000000, 0.0008531400000000 ] - [ -0.0005516500000000, 0.0001975800000000, 0.0004651600000000 ] - [ 0.0001533400000000, -0.0002905900000000, 0.0002633400000000 ] - [ -0.0000829200000000, 0.0003270500000000, 0.0002325100000000 ] - [ -0.0010579600000000, -0.0003517300000000, 0.0032666900000000 ] - [ 0.0005675400000000, -0.0001462900000000, -0.0006670200000000 ] - [ 0.0036130800000000, -0.0002745700000000, -0.0005996000000000 ] - [ -0.0010134500000000, -0.0017774500000000, -0.0013272900000000 ] - [ 0.0002466600000000, -0.0002614300000000, 0.0010154600000000 ] - [ -0.0002068100000000, -0.0001986500000000, 0.0003262300000000 ] - [ -0.0001277400000000, 0.0000068500000000, 0.0005386400000000 ] - [ 0.0003939700000000, 0.0001718800000000, 0.0013102800000000 ] - [ -0.0003115200000000, -0.0002018300000000, -0.0008874200000000 ] - [ 0.0001401800000000, 0.0006665700000000, 0.0007813700000000 ] - [ -0.0000923400000000, -0.0003133300000000, 0.0001557800000000 ] - [ -0.0005523500000000, -0.0001077600000000, 0.0000413500000000 ] - [ -0.0001375900000000, -0.0006325200000000, 0.0005937800000000 ] - [ -0.0002532500000000, 0.0000873300000000, 0.0013763100000000 ] - [ -0.0006501200000000, -0.0004502900000000, -0.0008890300000000 ] - [ 0.0001220400000000, 0.0003005700000000, 0.0007235700000000 ] - [ 0.0001121900000000, -0.0003665900000000, -0.0034503300000000 ] - [ 0.0003587600000000, -0.0004650100000000, 0.0005871100000000 ] - [ 0.0001418900000000, -0.0003857100000000, -0.0007422800000000 ] - [ 0.0000914700000000, 0.0002498600000000, 0.0000221500000000 ] - [ -0.0000748000000000, -0.0004539600000000, 0.0003782100000000 ] - [ 0.0000614100000000, 0.0003834900000000, 0.0003737100000000 ] - [ 0.0003435100000000, -0.0002585400000000, -0.0008462800000000 ] - [ 0.0022562700000000, -0.0008966500000000, -0.0077729800000000 ] - [ 0.0002658900000000, 0.0005327000000000, -0.0005272300000000 ] - [ 0.0000578500000000, -0.0004755500000000, 0.0003675600000000 ] - [ 0.0014506300000000, -0.0003584300000000, -0.0080192200000000 ] - [ 0.0001593100000000, 0.0006846600000000, 0.0002416000000000 ] - [ 0.0001118200000000, 0.0004533900000000, -0.0006019600000000 ]- atom: 49 displacement: [ 0.0099999995909515, 0.0000000000000000, -0.0000028602394792 ] forces: - [ -0.0005100700000000, 0.0003180600000000, -0.0042324900000000 ] - [ 0.0096506000000000, 0.0002909700000000, 0.0069082200000000 ] - [ 0.0002406600000000, 0.0002749400000000, -0.0000332300000000 ] - [ -0.0000093400000000, 0.0001179800000000, -0.0002406800000000 ] - [ 0.0000247000000000, -0.0002105800000000, -0.0001021700000000 ] - [ 0.0001926000000000, 0.0003454100000000, -0.0004661100000000 ] - [ -0.0007606700000000, -0.0000611700000000, 0.0000894500000000 ] - [ 0.0004142200000000, -0.0002885100000000, 0.0003073800000000 ] - [ 0.0000563300000000, 0.0002343200000000, 0.0001734100000000 ] - [ 0.0000651200000000, 0.0000463300000000, 0.0002053800000000 ] - [ -0.0000326000000000, 0.0002836500000000, -0.0000971700000000 ] - [ -0.0000087900000000, -0.0000067500000000, -0.0000869500000000 ] - [ -0.0001352200000000, -0.0000062200000000, -0.0000069000000000 ] - [ -0.0000116100000000, -0.0003013300000000, -0.0000127600000000 ] - [ 0.0000749500000000, 0.0000965200000000, -0.0001560800000000 ] - [ 0.0003534700000000, 0.0006927000000000, 0.0016870300000000 ] - [ 0.0043548400000000, -0.0012571700000000, 0.0001023700000000 ] - [ 0.0005989300000000, -0.0004593100000000, 0.0000286700000000 ] - [ -0.0000600800000000, 0.0001517500000000, -0.0000138400000000 ] - [ 0.0000099100000000, 0.0002758100000000, -0.0000209000000000 ] - [ 0.0000090900000000, 0.0001385100000000, 0.0001616900000000 ] - [ 0.0005681800000000, -0.0014773500000000, 0.0016148100000000 ] - [ -0.0019125900000000, 0.0017618000000000, -0.0009881000000000 ] - [ -0.0000201100000000, 0.0001952800000000, -0.0000406400000000 ] - [ -0.0027437200000000, 0.0086747600000000, -0.0030123700000000 ] - [ 0.0004804100000000, 0.0001456600000000, -0.0000556800000000 ] - [ 0.0001945500000000, -0.0016076900000000, 0.0003805100000000 ] - [ 0.0005742900000000, 0.0009875000000000, 0.0006263000000000 ] - [ -0.0006960400000000, -0.0000908400000000, 0.0003030100000000 ] - [ 0.0011652500000000, -0.0122609800000000, -0.0037265400000000 ] - [ 0.0007620100000000, 0.0017576000000000, 0.0015192300000000 ] - [ -0.0006347500000000, 0.0000853200000000, 0.0003553300000000 ] - [ -0.0000708800000000, 0.0001199800000000, -0.0003815200000000 ] - [ 0.0002112400000000, 0.0008258700000000, -0.0015492000000000 ] - [ 0.0003073200000000, -0.0008008900000000, -0.0016073200000000 ] - [ -0.0000433500000000, 0.0002739000000000, -0.0004955500000000 ] - [ 0.0001560100000000, 0.0000325500000000, -0.0001522200000000 ] - [ 0.0000630500000000, 0.0001899700000000, -0.0000981500000000 ] - [ 0.0000024800000000, -0.0000150000000000, -0.0000420400000000 ] - [ 0.0054283600000000, 0.0028359500000000, 0.0001932300000000 ] - [ -0.0008455600000000, 0.0029390600000000, 0.0090169900000000 ] - [ 0.0000378300000000, 0.0000632100000000, -0.0000517000000000 ] - [ 0.0109161100000000, -0.0035546300000000, -0.0039793000000000 ] - [ -0.0006108200000000, -0.0024588000000000, -0.0014936100000000 ] - [ -0.0000529200000000, 0.0003203400000000, -0.0000166300000000 ] - [ 0.0004447800000000, -0.0008971000000000, 0.0025023300000000 ] - [ 0.0000554400000000, 0.0001702200000000, -0.0000855300000000 ] - [ -0.0000547200000000, -0.0004582700000000, -0.0006637000000000 ] - [ -0.4548095700000000, 0.0147220100000000, -0.0349235900000000 ] - [ -0.0002622100000000, -0.0002267700000000, -0.0010813200000000 ] - [ 0.0177073600000000, -0.0003820800000000, -0.0211878500000000 ] - [ -0.0000606300000000, 0.0000600400000000, 0.0000648600000000 ] - [ 0.0001141400000000, 0.0001579600000000, -0.0003634500000000 ] - [ 0.0003194400000000, 0.0001124000000000, 0.0000200200000000 ] - [ 0.0001758000000000, 0.0004658400000000, -0.0002704300000000 ] - [ -0.0017197500000000, 0.0004022900000000, -0.0019757400000000 ] - [ -0.0002010100000000, 0.0000819700000000, -0.0003490800000000 ] - [ 0.0112451200000000, -0.0003114600000000, 0.0112068300000000 ] - [ 0.0006441300000000, -0.0007071500000000, -0.0004191900000000 ] - [ 0.0598740500000000, -0.0006471600000000, 0.0128554500000000 ] - [ -0.0002796700000000, 0.0002256800000000, -0.0003261400000000 ] - [ 0.0001189500000000, 0.0001642200000000, -0.0001753900000000 ] - [ 0.0003726700000000, -0.0001288200000000, -0.0009418100000000 ] - [ 0.0005669300000000, -0.0004046900000000, 0.0003458100000000 ] - [ -0.0001629800000000, 0.0008767300000000, -0.0013803800000000 ] - [ -0.0001591700000000, 0.0001062000000000, 0.0002543600000000 ] - [ -0.0003842700000000, 0.0001498100000000, 0.0007022300000000 ] - [ 0.0000390000000000, 0.0002118100000000, 0.0001875000000000 ] - [ -0.0010568300000000, 0.0001826000000000, -0.0001910100000000 ] - [ 0.0017756000000000, -0.0022432400000000, -0.0009637000000000 ] - [ 0.0003873600000000, 0.0001265500000000, 0.0001646200000000 ] - [ -0.0006334400000000, 0.0000819800000000, 0.0003139500000000 ] - [ 0.0005320800000000, -0.0005217900000000, 0.0007868100000000 ] - [ 0.0948900200000000, -0.0829899200000000, 0.0629884500000000 ] - [ 0.0000847400000000, 0.0002290400000000, -0.0000268000000000 ] - [ 0.1812637000000000, 0.0162563200000000, -0.0193575900000000 ] - [ -0.0001785300000000, 0.0002115800000000, 0.0005325900000000 ] - [ -0.0176266800000000, 0.0006928000000000, 0.0001048100000000 ] - [ -0.0009900400000000, 0.0002399800000000, -0.0000602000000000 ] - [ 0.0000674600000000, 0.0000189600000000, 0.0001903700000000 ] - [ -0.0000907700000000, 0.0002307300000000, 0.0002978700000000 ] - [ -0.0000175900000000, -0.0000541000000000, 0.0001757500000000 ] - [ -0.0000686600000000, 0.0001853900000000, 0.0000260500000000 ] - [ 0.0006019400000000, -0.0001301600000000, 0.0007619400000000 ] - [ 0.0412959600000000, -0.0058706300000000, -0.0322477300000000 ] - [ 0.0000329500000000, 0.0000669400000000, -0.0002892600000000 ] - [ 0.0003687800000000, 0.0002304300000000, 0.0000914500000000 ] - [ -0.0008854200000000, -0.0000338800000000, -0.0002843500000000 ] - [ -0.0000146200000000, 0.0000018300000000, 0.0003663200000000 ] - [ -0.0000861200000000, 0.0001587700000000, 0.0002187100000000 ] - [ 0.0002826200000000, 0.0002065500000000, 0.0008900000000000 ] - [ -0.0001599300000000, 0.0027149000000000, 0.0044035600000000 ] - [ 0.0018420200000000, 0.0001887800000000, -0.0002196700000000 ] - [ -0.0111971200000000, -0.0098890000000000, 0.0044624600000000 ] - [ 0.0004323500000000, 0.0003191300000000, 0.0003625900000000 ] - [ -0.0004267500000000, -0.0000980800000000, 0.0000673500000000 ] - [ -0.0000682800000000, 0.0000593200000000, 0.0005396800000000 ] - [ -0.0097300900000000, -0.0009959800000000, -0.0224881900000000 ] - [ 0.0000321000000000, 0.0002298500000000, 0.0003459700000000 ] - [ -0.0001201700000000, -0.0021095900000000, 0.0026029100000000 ] - [ 0.0015725500000000, -0.0008496400000000, -0.0005395000000000 ] - [ -0.0003126500000000, 0.0005286800000000, 0.0002080600000000 ] - [ 0.0003124900000000, 0.0002172100000000, -0.0001607800000000 ] - [ -0.0079487800000000, 0.0108893500000000, 0.0021500300000000 ] - [ 0.0002504600000000, -0.0002092500000000, -0.0005330000000000 ] - [ 0.0000536900000000, -0.0011608900000000, -0.0017027500000000 ] - [ 0.0010501200000000, 0.0009810700000000, -0.0000655400000000 ] - [ -0.0000859100000000, -0.0001598300000000, 0.0001141400000000 ] - [ 0.0645825000000000, 0.0581053200000000, 0.0315398000000000 ] - [ 0.0002069300000000, -0.0000474000000000, 0.0001793000000000 ] - [ -0.0000961800000000, 0.0003485500000000, 0.0000747900000000 ] - [ -0.0014611200000000, 0.0002985900000000, -0.0003391500000000 ]- atom: 49 displacement: [ -0.0099999995909515, 0.0000000000000000, 0.0000028602394792 ] forces: - [ 0.0005157800000000, -0.0000694600000000, 0.0046310000000000 ] - [ -0.0102442100000000, -0.0008798600000000, -0.0071786800000000 ] - [ 0.0002778000000000, 0.0003169500000000, 0.0001588500000000 ] - [ -0.0000123600000000, 0.0001407400000000, -0.0001887500000000 ] - [ -0.0000424600000000, -0.0000392800000000, -0.0003413400000000 ] - [ -0.0007077500000000, 0.0002416800000000, 0.0003390000000000 ] - [ 0.0007736500000000, -0.0001912100000000, 0.0003518800000000 ] - [ 0.0001027900000000, -0.0003460200000000, -0.0001413700000000 ] - [ -0.0000202600000000, -0.0000322400000000, -0.0001268300000000 ] - [ 0.0000516900000000, 0.0002519300000000, -0.0000117600000000 ] - [ 0.0000306600000000, 0.0002837800000000, 0.0000224600000000 ] - [ 0.0000119200000000, -0.0000233000000000, 0.0000607600000000 ] - [ -0.0001226400000000, 0.0000711200000000, 0.0001409300000000 ] - [ 0.0001850500000000, 0.0001038000000000, 0.0001804900000000 ] - [ 0.0000342500000000, 0.0000765700000000, -0.0000146100000000 ] - [ -0.0005005600000000, -0.0005050700000000, -0.0018455700000000 ] - [ -0.0042183500000000, 0.0011266000000000, -0.0002865500000000 ] - [ -0.0005881700000000, 0.0001911900000000, -0.0000354000000000 ] - [ -0.0000487300000000, 0.0000212900000000, 0.0001793700000000 ] - [ -0.0000074100000000, 0.0002901200000000, 0.0000919400000000 ] - [ 0.0000123200000000, 0.0001910600000000, 0.0003071900000000 ] - [ -0.0006792900000000, 0.0013330200000000, -0.0014576000000000 ] - [ 0.0019191700000000, -0.0016855700000000, 0.0009844200000000 ] - [ -0.0000149500000000, 0.0001763200000000, 0.0000464200000000 ] - [ 0.0027258700000000, -0.0085029900000000, 0.0029372600000000 ] - [ -0.0005671000000000, -0.0003916900000000, -0.0001114600000000 ] - [ -0.0002318400000000, 0.0012257000000000, -0.0003913500000000 ] - [ -0.0005274400000000, -0.0013190800000000, -0.0001736800000000 ] - [ 0.0008218000000000, 0.0002459300000000, -0.0001179900000000 ] - [ -0.0011477000000000, 0.0114910500000000, 0.0035882800000000 ] - [ -0.0010159600000000, -0.0018410900000000, -0.0014104700000000 ] - [ 0.0006942200000000, -0.0001347600000000, -0.0001490900000000 ] - [ 0.0000499400000000, 0.0002072700000000, -0.0000914900000000 ] - [ -0.0000944600000000, -0.0010927300000000, 0.0017037500000000 ] - [ -0.0002762000000000, 0.0005651100000000, 0.0015965900000000 ] - [ -0.0000537900000000, -0.0001859100000000, 0.0002910600000000 ] - [ 0.0001014700000000, 0.0000344600000000, 0.0000123100000000 ] - [ -0.0001781400000000, 0.0000932700000000, -0.0000871200000000 ] - [ -0.0000063900000000, -0.0000127200000000, 0.0000652200000000 ] - [ -0.0051876800000000, -0.0029499800000000, -0.0003231100000000 ] - [ 0.0008376000000000, -0.0032173200000000, -0.0093606600000000 ] - [ -0.0000728200000000, 0.0001583700000000, 0.0000300200000000 ] - [ -0.0110101200000000, 0.0032454100000000, 0.0040739900000000 ] - [ 0.0006193400000000, 0.0018756300000000, 0.0015535200000000 ] - [ 0.0001490000000000, -0.0002342800000000, 0.0002108000000000 ] - [ -0.0005194600000000, 0.0008390700000000, -0.0027079200000000 ] - [ -0.0000202300000000, 0.0001978100000000, 0.0000764700000000 ] - [ -0.0001223800000000, 0.0002625000000000, 0.0004919500000000 ] - [ 0.4421904300000000, -0.0179559800000000, 0.0376511400000000 ] - [ 0.0008486200000000, 0.0000014800000000, 0.0014028400000000 ] - [ -0.0181873400000000, 0.0002117000000000, 0.0209469200000000 ] - [ -0.0000885600000000, 0.0001297500000000, 0.0004427200000000 ] - [ 0.0000959700000000, 0.0002497700000000, 0.0000836500000000 ] - [ 0.0002546100000000, 0.0001110800000000, 0.0003450000000000 ] - [ -0.0007508800000000, -0.0002344000000000, -0.0001064700000000 ] - [ 0.0012612300000000, -0.0006606600000000, 0.0016546400000000 ] - [ -0.0002563300000000, 0.0001511300000000, 0.0000549400000000 ] - [ -0.0110422300000000, 0.0001058700000000, -0.0116148000000000 ] - [ -0.0004399200000000, 0.0002614900000000, 0.0001405700000000 ] - [ -0.0594936900000000, 0.0001946500000000, -0.0125519200000000 ] - [ 0.0000725800000000, 0.0001934500000000, 0.0005894300000000 ] - [ 0.0003365600000000, 0.0000738400000000, 0.0004494000000000 ] - [ -0.0002158900000000, 0.0003153900000000, 0.0004379600000000 ] - [ -0.0007373700000000, 0.0002227300000000, 0.0001258000000000 ] - [ -0.0000313200000000, -0.0007994800000000, 0.0012866700000000 ] - [ 0.0000354100000000, 0.0000979800000000, -0.0004700200000000 ] - [ 0.0001845100000000, -0.0001949800000000, -0.0007656600000000 ] - [ -0.0000441600000000, 0.0000066200000000, -0.0003526300000000 ] - [ 0.0008974100000000, -0.0007559800000000, 0.0004658500000000 ] - [ -0.0016434300000000, 0.0020045000000000, 0.0007038600000000 ] - [ -0.0006159200000000, -0.0000904500000000, -0.0000297400000000 ] - [ 0.0005092900000000, 0.0001104500000000, 0.0001591500000000 ] - [ -0.0006994300000000, 0.0000759000000000, -0.0002579600000000 ] - [ -0.0947116000000000, 0.0853806200000000, -0.0649473700000000 ] - [ 0.0000009800000000, 0.0000102800000000, -0.0002326600000000 ] - [ -0.1701022700000000, -0.0154453800000000, 0.0180925200000000 ] - [ 0.0002314300000000, 0.0003361600000000, -0.0006308600000000 ] - [ 0.0173963900000000, -0.0008769800000000, 0.0002684200000000 ] - [ 0.0011710200000000, -0.0001863400000000, 0.0001308100000000 ] - [ -0.0000613800000000, 0.0001932600000000, -0.0000240200000000 ] - [ -0.0000726100000000, 0.0002123500000000, 0.0002275600000000 ] - [ 0.0000792400000000, 0.0001559100000000, 0.0000179200000000 ] - [ 0.0000043200000000, -0.0000683000000000, -0.0002162100000000 ] - [ -0.0007402300000000, -0.0000719100000000, -0.0009157700000000 ] - [ -0.0407150000000000, 0.0057910600000000, 0.0331874000000000 ] - [ 0.0000904800000000, 0.0001239500000000, -0.0002333100000000 ] - [ -0.0001468400000000, -0.0001935800000000, -0.0002208400000000 ] - [ 0.0007579900000000, -0.0003962500000000, 0.0002450600000000 ] - [ -0.0000691500000000, 0.0002269400000000, -0.0001051400000000 ] - [ 0.0000443700000000, 0.0003695200000000, -0.0000376600000000 ] - [ -0.0001421300000000, 0.0002307900000000, -0.0007810200000000 ] - [ -0.0000455600000000, -0.0027394800000000, -0.0042431000000000 ] - [ -0.0018149300000000, -0.0003395200000000, 0.0004019800000000 ] - [ 0.0112321500000000, 0.0093416000000000, -0.0046341300000000 ] - [ -0.0002905000000000, -0.0005044400000000, -0.0008211900000000 ] - [ 0.0003613800000000, -0.0004432400000000, 0.0000433100000000 ] - [ 0.0001896000000000, 0.0001447000000000, -0.0003146300000000 ] - [ 0.0097909800000000, 0.0005491800000000, 0.0224641100000000 ] - [ -0.0001705200000000, 0.0002086700000000, -0.0004418000000000 ] - [ 0.0001626800000000, 0.0019128700000000, -0.0027847400000000 ] - [ -0.0012986600000000, 0.0007820600000000, 0.0003845700000000 ] - [ 0.0002716400000000, 0.0000131100000000, -0.0001150700000000 ] - [ -0.0001496400000000, 0.0002253200000000, -0.0003673400000000 ] - [ 0.0079935800000000, -0.0109567200000000, -0.0019428800000000 ] - [ -0.0002467300000000, 0.0003747100000000, 0.0003325200000000 ] - [ -0.0000032700000000, 0.0006471800000000, 0.0015781100000000 ] - [ -0.0009059000000000, -0.0012260600000000, 0.0003142800000000 ] - [ 0.0002941200000000, 0.0001181400000000, -0.0000467600000000 ] - [ -0.0637799100000000, -0.0593563000000000, -0.0319172200000000 ] - [ -0.0002202300000000, 0.0002248000000000, 0.0000181200000000 ] - [ 0.0001385400000000, 0.0001833300000000, -0.0002574700000000 ] - [ 0.0013605300000000, -0.0003810100000000, 0.0001600500000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001838200000000, -0.0019433400000000, -0.0002822500000000 ] - [ 0.0004532100000000, -0.0036994200000000, -0.0000398300000000 ] - [ 0.0002617800000000, 0.0003722600000000, 0.0002841400000000 ] - [ -0.0000035400000000, 0.0003388800000000, -0.0004905900000000 ] - [ 0.0000260100000000, 0.0003217300000000, 0.0000472100000000 ] - [ -0.0003113800000000, 0.0002385900000000, 0.0001195900000000 ] - [ 0.0001332100000000, -0.0002888200000000, 0.0004140000000000 ] - [ 0.0002979600000000, -0.0002715400000000, -0.0001129200000000 ] - [ 0.0000292600000000, 0.0001919900000000, 0.0000645000000000 ] - [ 0.0000686600000000, 0.0000743500000000, 0.0001211500000000 ] - [ -0.0000006500000000, 0.0003132800000000, -0.0000027100000000 ] - [ 0.0000006100000000, -0.0000493600000000, 0.0000213000000000 ] - [ -0.0001226800000000, -0.0000152500000000, 0.0000925900000000 ] - [ -0.0000876600000000, -0.0002391700000000, 0.0004762000000000 ] - [ 0.0000567900000000, 0.0000539900000000, -0.0000574400000000 ] - [ 0.0001772800000000, 0.0013346700000000, 0.0053738700000000 ] - [ -0.0040080300000000, 0.0033830600000000, -0.0003722500000000 ] - [ -0.0001369300000000, 0.0000975700000000, -0.0000856800000000 ] - [ -0.0000538600000000, 0.0001245600000000, 0.0001205800000000 ] - [ 0.0000089000000000, 0.0002595800000000, 0.0001115600000000 ] - [ 0.0000064500000000, 0.0001808300000000, 0.0002619300000000 ] - [ -0.0001116300000000, -0.0004539700000000, -0.0000695200000000 ] - [ 0.0008236100000000, 0.0069165800000000, -0.0112131000000000 ] - [ -0.0000156400000000, 0.0001960600000000, 0.0000347600000000 ] - [ 0.0105852100000000, 0.0110650800000000, -0.0027246800000000 ] - [ 0.0000037300000000, -0.0003805800000000, -0.0002405500000000 ] - [ -0.0000515900000000, -0.0001101500000000, -0.0000163600000000 ] - [ 0.0002299200000000, 0.0064040500000000, 0.0014788900000000 ] - [ 0.0003199400000000, 0.0004211500000000, 0.0001517200000000 ] - [ -0.0132273400000000, 0.0090495400000000, 0.0030941700000000 ] - [ -0.0001977500000000, 0.0002398800000000, 0.0000734500000000 ] - [ -0.0001034600000000, -0.0002385700000000, -0.0002322000000000 ] - [ -0.0000571900000000, 0.0001187200000000, -0.0002086500000000 ] - [ 0.0000180700000000, 0.0000706200000000, -0.0000710200000000 ] - [ -0.0002824700000000, -0.0006803800000000, 0.0001433300000000 ] - [ -0.0000571000000000, -0.0000353700000000, -0.0001008600000000 ] - [ 0.0001274300000000, 0.0000706100000000, -0.0000436300000000 ] - [ -0.0001690100000000, 0.0002735200000000, -0.0001591800000000 ] - [ -0.0000084400000000, 0.0000583000000000, 0.0000224900000000 ] - [ 0.0064312500000000, 0.0024023600000000, -0.0007981300000000 ] - [ 0.0026021600000000, -0.0005442600000000, 0.0028088600000000 ] - [ 0.0001491100000000, -0.0001155200000000, 0.0001685700000000 ] - [ -0.0043528100000000, -0.0013140200000000, 0.0033303100000000 ] - [ -0.0010097600000000, 0.0045668500000000, 0.0060936000000000 ] - [ 0.0001207300000000, 0.0001670300000000, 0.0001153400000000 ] - [ 0.0001964800000000, 0.0027972400000000, -0.0041767000000000 ] - [ 0.0000198300000000, 0.0001543800000000, 0.0000162900000000 ] - [ -0.0001312600000000, 0.0000800300000000, 0.0001794200000000 ] - [ 0.0207118100000000, -0.5319088500000000, 0.0163615800000000 ] - [ -0.0003817600000000, 0.0032025000000000, 0.0000567700000000 ] - [ -0.0003880200000000, 0.0085076900000000, 0.0003229000000000 ] - [ -0.0000611900000000, 0.0001388700000000, 0.0003331000000000 ] - [ 0.0001186300000000, 0.0002187800000000, -0.0000009200000000 ] - [ 0.0003232500000000, 0.0001836600000000, 0.0002919300000000 ] - [ 0.0000124300000000, -0.0013965500000000, -0.0002183800000000 ] - [ -0.0007281100000000, 0.0053209000000000, -0.0009288800000000 ] - [ -0.0002543500000000, 0.0001345900000000, 0.0000122500000000 ] - [ -0.0001025700000000, -0.0003963200000000, 0.0003530100000000 ] - [ 0.0005425300000000, 0.0038059600000000, -0.0008869700000000 ] - [ 0.0014628500000000, 0.0065565300000000, 0.0006687400000000 ] - [ -0.0001126500000000, 0.0002138400000000, 0.0001771700000000 ] - [ 0.0001779100000000, 0.0000596400000000, 0.0002234300000000 ] - [ 0.0000781200000000, 0.0007926200000000, -0.0003710600000000 ] - [ -0.0000832700000000, 0.0026535300000000, 0.0001296900000000 ] - [ 0.0000014600000000, 0.0005947800000000, -0.0001379700000000 ] - [ -0.0000058100000000, 0.0000888000000000, -0.0003313200000000 ] - [ 0.0001167000000000, -0.0002550800000000, -0.0003269100000000 ] - [ -0.0000118500000000, 0.0001547700000000, -0.0001306000000000 ] - [ -0.0003795300000000, -0.0019481900000000, 0.0005704500000000 ] - [ -0.0004319400000000, -0.0044019900000000, 0.0000879900000000 ] - [ -0.0003744800000000, 0.0012327400000000, -0.0013415000000000 ] - [ -0.0002169000000000, 0.0000129900000000, 0.0004177800000000 ] - [ -0.0001080200000000, -0.0030739700000000, 0.0008571100000000 ] - [ -0.0844976900000000, 0.1939074000000000, -0.0998228200000000 ] - [ 0.0000481300000000, 0.0001089200000000, -0.0002408700000000 ] - [ 0.0165910500000000, 0.0373124000000000, -0.0024628400000000 ] - [ 0.0000231900000000, 0.0003956800000000, 0.0005011400000000 ] - [ 0.0010166900000000, -0.0003714100000000, 0.0007057700000000 ] - [ 0.0017182400000000, -0.0031671200000000, 0.0001401000000000 ] - [ -0.0000476300000000, 0.0000743500000000, -0.0000253200000000 ] - [ -0.0000795900000000, 0.0002156500000000, 0.0001881600000000 ] - [ 0.0000336600000000, 0.0000249400000000, 0.0000475200000000 ] - [ -0.0000327700000000, 0.0000623700000000, -0.0002008400000000 ] - [ 0.0001755500000000, -0.0016747400000000, 0.0003053500000000 ] - [ -0.0052803800000000, 0.0379342800000000, 0.0096232600000000 ] - [ 0.0000268100000000, 0.0001031500000000, -0.0001819100000000 ] - [ 0.0000553400000000, -0.0002303600000000, -0.0001828200000000 ] - [ -0.0004154000000000, -0.0018855100000000, 0.0002252400000000 ] - [ -0.0000352800000000, 0.0001499300000000, 0.0000126000000000 ] - [ 0.0000229200000000, 0.0002392400000000, -0.0000115400000000 ] - [ 0.0000513000000000, 0.0001873800000000, -0.0000038300000000 ] - [ -0.0016276500000000, -0.0022115400000000, 0.0004500700000000 ] - [ -0.0020128600000000, -0.0036460100000000, 0.0003571300000000 ] - [ 0.0038317900000000, -0.0011130200000000, 0.0013717400000000 ] - [ 0.0004988700000000, -0.0001966100000000, -0.0002742100000000 ] - [ -0.0023898200000000, -0.0027960900000000, -0.0006868500000000 ] - [ 0.0001027500000000, 0.0001941000000000, -0.0000685300000000 ] - [ -0.0001480000000000, -0.0002543800000000, -0.0009562200000000 ] - [ -0.0001175200000000, 0.0002064200000000, -0.0002418900000000 ] - [ 0.0005511700000000, -0.0007602800000000, -0.0015035600000000 ] - [ 0.0030088700000000, -0.0040294600000000, -0.0010870600000000 ] - [ 0.0000357300000000, 0.0000660600000000, 0.0000105500000000 ] - [ 0.0001106000000000, 0.0002233600000000, -0.0003144600000000 ] - [ -0.0038381000000000, 0.0014413900000000, -0.0009304700000000 ] - [ 0.0001117500000000, 0.0006006700000000, 0.0012167600000000 ] - [ -0.0000356700000000, -0.0006170900000000, -0.0002724800000000 ] - [ 0.0002875600000000, -0.0029411100000000, 0.0002184800000000 ] - [ 0.0000587800000000, 0.0000064600000000, 0.0000786700000000 ] - [ 0.0531268800000000, 0.2228026000000000, 0.0746257200000000 ] - [ 0.0000368500000000, 0.0001471000000000, 0.0001513100000000 ] - [ 0.0000358300000000, 0.0002787700000000, -0.0001722900000000 ] - [ 0.0002615500000000, -0.0032377700000000, -0.0004997000000000 ]- atom: 49 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001450100000000, 0.0021921600000000, 0.0007264200000000 ] - [ -0.0010376400000000, 0.0030987100000000, -0.0001297600000000 ] - [ 0.0002581100000000, 0.0002203200000000, -0.0001579500000000 ] - [ -0.0000184800000000, -0.0000863000000000, 0.0000619900000000 ] - [ -0.0000475100000000, -0.0005756300000000, -0.0005074800000000 ] - [ -0.0002082200000000, 0.0003546100000000, -0.0002685100000000 ] - [ -0.0001107600000000, 0.0000397800000000, 0.0000138600000000 ] - [ 0.0002249900000000, -0.0003233200000000, 0.0002652200000000 ] - [ 0.0000081900000000, 0.0000237500000000, -0.0000550700000000 ] - [ 0.0000494500000000, 0.0002138400000000, 0.0000481900000000 ] - [ -0.0000025200000000, 0.0002495600000000, -0.0000781600000000 ] - [ 0.0000028500000000, 0.0000217400000000, -0.0000542100000000 ] - [ -0.0001306400000000, 0.0000821000000000, 0.0000385700000000 ] - [ 0.0002629200000000, 0.0000528600000000, -0.0003199100000000 ] - [ 0.0000552400000000, 0.0001222000000000, -0.0001146600000000 ] - [ -0.0003565700000000, -0.0011257800000000, -0.0056506800000000 ] - [ 0.0040209100000000, -0.0035464000000000, 0.0002007100000000 ] - [ 0.0001033400000000, -0.0003420000000000, 0.0000724300000000 ] - [ -0.0000597800000000, 0.0000411600000000, 0.0000395400000000 ] - [ -0.0000056400000000, 0.0003068100000000, -0.0000369700000000 ] - [ 0.0000159600000000, 0.0001376900000000, 0.0002000800000000 ] - [ -0.0000043300000000, 0.0003111700000000, 0.0002425100000000 ] - [ -0.0008160100000000, -0.0069604300000000, 0.0114482000000000 ] - [ -0.0000194200000000, 0.0001640700000000, -0.0000288100000000 ] - [ -0.0103734800000000, -0.0108731600000000, 0.0026704600000000 ] - [ -0.0001183500000000, 0.0001191100000000, 0.0000713200000000 ] - [ 0.0000173400000000, -0.0002418700000000, 0.0000293000000000 ] - [ -0.0002046400000000, -0.0068311500000000, -0.0010329200000000 ] - [ -0.0001476100000000, -0.0002439000000000, 0.0000214800000000 ] - [ 0.0134742900000000, -0.0097259200000000, -0.0032101700000000 ] - [ -0.0000549400000000, -0.0003292700000000, 0.0000662200000000 ] - [ 0.0001980000000000, 0.0001731600000000, 0.0004289000000000 ] - [ 0.0000359900000000, 0.0002028000000000, -0.0002604000000000 ] - [ 0.0001023700000000, -0.0003779400000000, 0.0002518200000000 ] - [ 0.0003200900000000, 0.0004805400000000, -0.0001294900000000 ] - [ -0.0000422000000000, 0.0001243500000000, -0.0000967000000000 ] - [ 0.0001257100000000, -0.0000071600000000, -0.0000963000000000 ] - [ 0.0000475400000000, 0.0000072400000000, -0.0000303200000000 ] - [ 0.0000075200000000, -0.0000898900000000, 0.0000012900000000 ] - [ -0.0063107800000000, -0.0024608100000000, 0.0006873300000000 ] - [ -0.0026374500000000, 0.0001739300000000, -0.0032870800000000 ] - [ -0.0001870400000000, 0.0003429300000000, -0.0001884500000000 ] - [ 0.0043575000000000, 0.0008852000000000, -0.0032986800000000 ] - [ 0.0010169900000000, -0.0050949200000000, -0.0059064200000000 ] - [ -0.0000198300000000, -0.0000939300000000, 0.0000620100000000 ] - [ -0.0002935400000000, -0.0028737600000000, 0.0038954400000000 ] - [ 0.0000147400000000, 0.0002068000000000, -0.0000289900000000 ] - [ -0.0000434900000000, -0.0002842200000000, -0.0003590700000000 ] - [ -0.0119766200000000, 0.5364224600000000, -0.0052212700000000 ] - [ 0.0009720100000000, -0.0034432000000000, 0.0003315800000000 ] - [ -0.0002430200000000, -0.0087527700000000, -0.0007122500000000 ] - [ -0.0000739800000000, 0.0000528100000000, 0.0001411600000000 ] - [ 0.0000710800000000, 0.0001909500000000, -0.0002806200000000 ] - [ 0.0002414300000000, 0.0000440100000000, 0.0000516500000000 ] - [ -0.0005932300000000, 0.0016159500000000, -0.0001549200000000 ] - [ 0.0002909300000000, -0.0055587700000000, 0.0006860600000000 ] - [ -0.0001890700000000, 0.0000990700000000, -0.0002904600000000 ] - [ 0.0002564800000000, 0.0002099900000000, -0.0008993600000000 ] - [ -0.0003777700000000, -0.0042119800000000, 0.0006592100000000 ] - [ -0.0017868700000000, -0.0069666900000000, -0.0004769300000000 ] - [ -0.0000803200000000, 0.0002011600000000, 0.0000777700000000 ] - [ 0.0002710600000000, 0.0001727800000000, 0.0000239500000000 ] - [ 0.0000644600000000, -0.0006032500000000, -0.0001176900000000 ] - [ -0.0000600200000000, -0.0028342400000000, 0.0003632000000000 ] - [ -0.0002019800000000, -0.0005857300000000, 0.0000845500000000 ] - [ -0.0001256500000000, 0.0001088100000000, 0.0001389800000000 ] - [ -0.0003085600000000, 0.0002159100000000, 0.0002625800000000 ] - [ 0.0000122000000000, 0.0000682700000000, -0.0000232500000000 ] - [ 0.0003561100000000, 0.0013875300000000, -0.0004129000000000 ] - [ 0.0005013700000000, 0.0042149300000000, -0.0003694700000000 ] - [ 0.0001340400000000, -0.0012126800000000, 0.0014905500000000 ] - [ 0.0001118400000000, 0.0001795800000000, 0.0000386200000000 ] - [ -0.0000545100000000, 0.0026580800000000, -0.0003609000000000 ] - [ 0.0799547500000000, -0.1880356600000000, 0.0942660700000000 ] - [ 0.0000291500000000, 0.0001244800000000, -0.0000106300000000 ] - [ -0.0162032800000000, -0.0379850100000000, 0.0015920200000000 ] - [ 0.0000241600000000, 0.0001435000000000, -0.0006032400000000 ] - [ -0.0012104200000000, 0.0001906500000000, -0.0002331200000000 ] - [ -0.0015030200000000, 0.0032052000000000, -0.0000537800000000 ] - [ 0.0000537800000000, 0.0001434300000000, 0.0002027600000000 ] - [ -0.0000807700000000, 0.0002244900000000, 0.0003415200000000 ] - [ 0.0000175400000000, 0.0000779300000000, 0.0001487300000000 ] - [ -0.0000221200000000, 0.0000489100000000, 0.0000204700000000 ] - [ -0.0003048200000000, 0.0014858200000000, -0.0005643900000000 ] - [ 0.0051037400000000, -0.0383099900000000, -0.0094240700000000 ] - [ 0.0000854800000000, 0.0000886700000000, -0.0002808500000000 ] - [ 0.0001871700000000, 0.0002802100000000, 0.0000487700000000 ] - [ 0.0003017600000000, 0.0014666200000000, -0.0003426600000000 ] - [ -0.0000394300000000, 0.0000795700000000, 0.0002551300000000 ] - [ -0.0000664200000000, 0.0002902100000000, 0.0002078700000000 ] - [ 0.0000905100000000, 0.0002447200000000, 0.0001135100000000 ] - [ 0.0014307400000000, 0.0022896100000000, -0.0003032900000000 ] - [ 0.0019959800000000, 0.0034819400000000, -0.0001464300000000 ] - [ -0.0037396100000000, 0.0006816700000000, -0.0015938000000000 ] - [ -0.0003928600000000, 0.0000009500000000, -0.0001872300000000 ] - [ 0.0023561900000000, 0.0022393600000000, 0.0008190100000000 ] - [ 0.0000157300000000, 0.0000031600000000, 0.0003137500000000 ] - [ 0.0003096100000000, -0.0001665700000000, 0.0011521700000000 ] - [ -0.0000128100000000, 0.0002278300000000, 0.0001750600000000 ] - [ -0.0005397300000000, 0.0004988200000000, 0.0013139500000000 ] - [ -0.0028161200000000, 0.0040333000000000, 0.0009815300000000 ] - [ -0.0000902300000000, 0.0004966100000000, 0.0000943500000000 ] - [ 0.0000513000000000, 0.0002155700000000, -0.0002044000000000 ] - [ 0.0039067900000000, -0.0016550200000000, 0.0010905100000000 ] - [ -0.0001198000000000, -0.0004210800000000, -0.0013913100000000 ] - [ 0.0000809100000000, 0.0001170300000000, 0.0001910000000000 ] - [ -0.0002934000000000, 0.0026978800000000, -0.0000745300000000 ] - [ 0.0001323200000000, -0.0000717100000000, -0.0000082700000000 ] - [ -0.0569013800000000, -0.2333764400000000, -0.0794691500000000 ] - [ -0.0000276800000000, 0.0000046300000000, 0.0000414600000000 ] - [ 0.0000037600000000, 0.0002509800000000, -0.0000044500000000 ] - [ -0.0003030800000000, 0.0031539300000000, 0.0002800300000000 ]- atom: 49 displacement: [ -0.0000185648863736, 0.0000000000000000, 0.0099999827672348 ] forces: - [ -0.0048799400000000, -0.0001604000000000, 0.0081288100000000 ] - [ 0.0090505900000000, 0.0007427000000000, 0.0064771100000000 ] - [ 0.0002924600000000, 0.0003857900000000, 0.0008505500000000 ] - [ -0.0001412900000000, -0.0000802600000000, -0.0005394800000000 ] - [ -0.0000188700000000, -0.0001425900000000, 0.0007245200000000 ] - [ -0.0008305000000000, 0.0001736800000000, 0.0016681300000000 ] - [ 0.0012822700000000, -0.0003775600000000, 0.0018771000000000 ] - [ 0.0002780800000000, -0.0001639300000000, -0.0007056500000000 ] - [ 0.0000417800000000, 0.0003747700000000, 0.0004730300000000 ] - [ 0.0001182300000000, -0.0001081100000000, 0.0006164900000000 ] - [ 0.0000054600000000, 0.0002928100000000, 0.0004182400000000 ] - [ -0.0000236400000000, -0.0000478700000000, 0.0005105100000000 ] - [ -0.0000965600000000, 0.0000850600000000, 0.0005223000000000 ] - [ -0.0000269100000000, 0.0001257900000000, 0.0008412400000000 ] - [ 0.0000529300000000, 0.0000435000000000, 0.0004049800000000 ] - [ 0.0005824100000000, 0.0023594800000000, 0.0030664700000000 ] - [ 0.0025415900000000, -0.0017659100000000, 0.0002367900000000 ] - [ -0.0009925900000000, 0.0015640900000000, -0.0002922100000000 ] - [ -0.0000144300000000, -0.0000228800000000, 0.0005837400000000 ] - [ -0.0000131600000000, 0.0004152600000000, 0.0005253900000000 ] - [ -0.0000123300000000, 0.0001644100000000, 0.0006755300000000 ] - [ -0.0001535900000000, -0.0005562000000000, -0.0012447600000000 ] - [ -0.0006222500000000, -0.0098266900000000, -0.0017027700000000 ] - [ 0.0000058300000000, 0.0001736800000000, 0.0003815300000000 ] - [ -0.0039460000000000, -0.0036281700000000, -0.0016855300000000 ] - [ -0.0012118300000000, -0.0018243800000000, -0.0002911700000000 ] - [ -0.0000506400000000, 0.0000238900000000, -0.0005941300000000 ] - [ 0.0000473600000000, 0.0015804400000000, 0.0010236600000000 ] - [ 0.0013012400000000, 0.0015403100000000, -0.0000929800000000 ] - [ -0.0041719600000000, 0.0033852000000000, -0.0015301500000000 ] - [ -0.0002535700000000, 0.0001789700000000, -0.0011075100000000 ] - [ 0.0013977500000000, -0.0014473400000000, -0.0000183700000000 ] - [ -0.0000648400000000, 0.0002684900000000, 0.0003435700000000 ] - [ 0.0000166500000000, -0.0002039400000000, 0.0003530100000000 ] - [ 0.0000049600000000, 0.0000389200000000, 0.0002935100000000 ] - [ -0.0001237800000000, -0.0008110700000000, 0.0016209600000000 ] - [ 0.0001420500000000, 0.0000736800000000, 0.0004259400000000 ] - [ 0.0000385200000000, -0.0000142800000000, 0.0005253500000000 ] - [ -0.0000491800000000, -0.0001383300000000, 0.0005502100000000 ] - [ 0.0016744800000000, 0.0001511300000000, -0.0014592900000000 ] - [ 0.0090854500000000, 0.0037557500000000, 0.0030994200000000 ] - [ 0.0000571100000000, 0.0002770500000000, 0.0006465000000000 ] - [ -0.0041477800000000, 0.0029706200000000, -0.0047459800000000 ] - [ -0.0009986600000000, 0.0059781400000000, -0.0033510800000000 ] - [ -0.0000642100000000, -0.0002454000000000, 0.0009067800000000 ] - [ 0.0003137700000000, -0.0022748000000000, 0.0030512900000000 ] - [ 0.0000325000000000, 0.0002404800000000, 0.0005072000000000 ] - [ -0.0002763400000000, 0.0008189100000000, 0.0016175400000000 ] - [ -0.0316693400000000, 0.0094946500000000, -0.4690532200000000 ] - [ -0.0000711900000000, -0.0006428800000000, -0.0017550900000000 ] - [ -0.0180609800000000, 0.0014355000000000, 0.0491328700000000 ] - [ -0.0000297800000000, -0.0000159100000000, 0.0017868700000000 ] - [ 0.0001521600000000, 0.0004321800000000, 0.0016118100000000 ] - [ 0.0003736400000000, -0.0002049200000000, 0.0017924100000000 ] - [ -0.0003104000000000, 0.0003632900000000, 0.0026180300000000 ] - [ -0.0020515800000000, 0.0006947800000000, -0.0036432500000000 ] - [ -0.0004334600000000, 0.0002656700000000, 0.0016398500000000 ] - [ -0.0114323200000000, -0.0000745400000000, -0.0069694600000000 ] - [ 0.0015207100000000, -0.0000412500000000, -0.0029882100000000 ] - [ -0.0088984900000000, -0.0000495500000000, -0.0038133800000000 ] - [ 0.0002154700000000, 0.0000277200000000, 0.0024403800000000 ] - [ -0.0000909100000000, 0.0000159200000000, 0.0027829400000000 ] - [ 0.0005749600000000, 0.0003460800000000, 0.0019188200000000 ] - [ -0.0001731700000000, -0.0005131000000000, -0.0006282400000000 ] - [ 0.0004176500000000, 0.0017632600000000, 0.0001997600000000 ] - [ 0.0006693100000000, 0.0000639700000000, -0.0030457000000000 ] - [ 0.0005479500000000, -0.0005832400000000, -0.0013687600000000 ] - [ -0.0004133900000000, -0.0006331500000000, -0.0017971100000000 ] - [ -0.0005618700000000, 0.0012359200000000, 0.0023398600000000 ] - [ -0.0003660200000000, -0.0028769200000000, 0.0027369100000000 ] - [ -0.0005584800000000, 0.0004639800000000, -0.0018553800000000 ] - [ -0.0001870800000000, 0.0000624400000000, -0.0005188200000000 ] - [ 0.0005325300000000, -0.0010796500000000, 0.0020585100000000 ] - [ 0.0622228900000000, -0.0990772000000000, 0.1174778300000000 ] - [ -0.0000398700000000, -0.0005547100000000, -0.0009489400000000 ] - [ -0.0055667200000000, -0.0022629200000000, 0.0343648100000000 ] - [ 0.0005828400000000, 0.0005890400000000, -0.0013824400000000 ] - [ 0.0205796500000000, -0.0011731000000000, -0.0027044500000000 ] - [ -0.0004358200000000, 0.0010001600000000, -0.0005816200000000 ] - [ -0.0002611600000000, 0.0006956100000000, -0.0009455900000000 ] - [ -0.0000721400000000, 0.0002075300000000, -0.0001410300000000 ] - [ 0.0002128200000000, 0.0007007300000000, -0.0008155700000000 ] - [ 0.0000816900000000, -0.0006442800000000, -0.0009132700000000 ] - [ -0.0004979500000000, -0.0005639100000000, 0.0037723300000000 ] - [ -0.0420829600000000, 0.0086525600000000, 0.1820322100000000 ] - [ 0.0000366400000000, 0.0001600000000000, -0.0001842900000000 ] - [ -0.0003618700000000, -0.0010453400000000, -0.0009904600000000 ] - [ -0.0002987600000000, -0.0006997600000000, 0.0029594100000000 ] - [ -0.0001714500000000, 0.0008243600000000, -0.0010503500000000 ] - [ 0.0002668700000000, 0.0008648800000000, -0.0009075600000000 ] - [ -0.0008872000000000, 0.0003692500000000, -0.0036570600000000 ] - [ -0.0035426400000000, -0.0080141900000000, -0.0080716500000000 ] - [ 0.0010180700000000, 0.0016778000000000, -0.0005932100000000 ] - [ -0.0023896300000000, 0.0001093800000000, 0.0011800800000000 ] - [ 0.0005155700000000, -0.0000273400000000, -0.0005034500000000 ] - [ -0.0002632600000000, -0.0007609800000000, -0.0004541800000000 ] - [ 0.0010878200000000, 0.0001398600000000, -0.0041152600000000 ] - [ 0.0061950200000000, 0.0001817400000000, 0.0125759800000000 ] - [ -0.0007914300000000, 0.0000972200000000, -0.0029121300000000 ] - [ -0.0008829000000000, 0.0081259000000000, -0.0073917900000000 ] - [ 0.0007577000000000, -0.0013406100000000, -0.0006689900000000 ] - [ 0.0005676700000000, -0.0008194800000000, -0.0006785800000000 ] - [ -0.0000582700000000, 0.0002198800000000, -0.0009076600000000 ] - [ -0.0008964700000000, -0.0007289800000000, 0.0011439500000000 ] - [ -0.0002828300000000, -0.0005422700000000, -0.0018868300000000 ] - [ 0.0003788200000000, -0.0021180300000000, -0.0000764800000000 ] - [ 0.0002083500000000, 0.0014997300000000, 0.0024001100000000 ] - [ 0.0005770700000000, 0.0011680600000000, -0.0007614500000000 ] - [ 0.0297871800000000, 0.0794392600000000, 0.0853433900000000 ] - [ -0.0005246200000000, 0.0013750700000000, -0.0008286900000000 ] - [ 0.0004917200000000, -0.0002976300000000, -0.0013890300000000 ] - [ -0.0001350100000000, -0.0017204300000000, 0.0030031800000000 ]- atom: 49 displacement: [ 0.0000185648863736, 0.0000000000000000, -0.0099999827672348 ] forces: - [ 0.0049584300000000, 0.0004128500000000, -0.0077568900000000 ] - [ -0.0097036400000000, -0.0013354000000000, -0.0066219600000000 ] - [ 0.0002302300000000, 0.0002095200000000, -0.0007054000000000 ] - [ 0.0001183000000000, 0.0003286300000000, 0.0000928600000000 ] - [ -0.0000045100000000, -0.0001072000000000, -0.0011521100000000 ] - [ 0.0003042300000000, 0.0004190500000000, -0.0017935400000000 ] - [ -0.0012481700000000, 0.0001258800000000, -0.0014290000000000 ] - [ 0.0002446500000000, -0.0004279400000000, 0.0008261000000000 ] - [ -0.0000039300000000, -0.0001496200000000, -0.0004580300000000 ] - [ 0.0000010900000000, 0.0003870800000000, -0.0004254100000000 ] - [ -0.0000064900000000, 0.0002713800000000, -0.0004930600000000 ] - [ 0.0000247900000000, 0.0000131200000000, -0.0005354700000000 ] - [ -0.0001612500000000, -0.0000309000000000, -0.0003979900000000 ] - [ 0.0002027900000000, -0.0003229000000000, -0.0006678900000000 ] - [ 0.0000681700000000, 0.0001226500000000, -0.0005669400000000 ] - [ -0.0007657400000000, -0.0022018200000000, -0.0032531200000000 ] - [ -0.0024517800000000, 0.0016215600000000, -0.0003782300000000 ] - [ 0.0009473300000000, -0.0017683400000000, 0.0002700600000000 ] - [ -0.0001035000000000, 0.0001952400000000, -0.0004176500000000 ] - [ 0.0000142000000000, 0.0001461800000000, -0.0004478600000000 ] - [ 0.0000353000000000, 0.0001689100000000, -0.0002058800000000 ] - [ 0.0000311000000000, 0.0003824200000000, 0.0013864000000000 ] - [ 0.0006182200000000, 0.0096962900000000, 0.0017334800000000 ] - [ -0.0000398500000000, 0.0002009500000000, -0.0003691400000000 ] - [ 0.0039410100000000, 0.0036415300000000, 0.0017043100000000 ] - [ 0.0010805300000000, 0.0015253500000000, 0.0000892500000000 ] - [ 0.0000193800000000, -0.0003852200000000, 0.0006013700000000 ] - [ -0.0000433000000000, -0.0019212600000000, -0.0005290100000000 ] - [ -0.0011138200000000, -0.0013276500000000, 0.0002563500000000 ] - [ 0.0041653200000000, -0.0039168100000000, 0.0015074800000000 ] - [ -0.0000059000000000, -0.0002332000000000, 0.0012108000000000 ] - [ -0.0012846900000000, 0.0013464200000000, 0.0002065700000000 ] - [ 0.0000427000000000, 0.0000633300000000, -0.0008106200000000 ] - [ 0.0001070300000000, -0.0000779700000000, -0.0001441000000000 ] - [ 0.0000321500000000, -0.0002606800000000, -0.0002616300000000 ] - [ 0.0000255600000000, 0.0008884000000000, -0.0018007200000000 ] - [ 0.0001149900000000, -0.0000173900000000, -0.0005457400000000 ] - [ -0.0001589700000000, 0.0003020100000000, -0.0007118100000000 ] - [ 0.0000482300000000, 0.0001063700000000, -0.0005215900000000 ] - [ -0.0014206200000000, -0.0002098300000000, 0.0013375900000000 ] - [ -0.0089609300000000, -0.0040042400000000, -0.0034983300000000 ] - [ -0.0000937200000000, -0.0000621600000000, -0.0006502000000000 ] - [ 0.0041280800000000, -0.0033229800000000, 0.0046752400000000 ] - [ 0.0009888200000000, -0.0064415700000000, 0.0034071100000000 ] - [ 0.0001635400000000, 0.0003312800000000, -0.0007122900000000 ] - [ -0.0004113700000000, 0.0022307900000000, -0.0032400900000000 ] - [ 0.0000015100000000, 0.0001319000000000, -0.0005171500000000 ] - [ 0.0000990300000000, -0.0010081200000000, -0.0017752600000000 ] - [ 0.0394755900000000, -0.0120480600000000, 0.4591677300000000 ] - [ 0.0006578100000000, 0.0004220700000000, 0.0021233200000000 ] - [ 0.0173083000000000, -0.0016905700000000, -0.0489847100000000 ] - [ -0.0001134700000000, 0.0002076500000000, -0.0013105600000000 ] - [ 0.0000360600000000, -0.0000153800000000, -0.0018749100000000 ] - [ 0.0002040500000000, 0.0004269300000000, -0.0014451500000000 ] - [ -0.0002727700000000, -0.0001398800000000, -0.0029576700000000 ] - [ 0.0015689600000000, -0.0009190000000000, 0.0033587500000000 ] - [ -0.0000134900000000, -0.0000327200000000, -0.0019053900000000 ] - [ 0.0115018200000000, -0.0001220100000000, 0.0064767700000000 ] - [ -0.0013173800000000, -0.0003682300000000, 0.0026997200000000 ] - [ 0.0087509100000000, -0.0003419800000000, 0.0042007300000000 ] - [ -0.0004013800000000, 0.0003894300000000, -0.0021610500000000 ] - [ 0.0005367100000000, 0.0002185400000000, -0.0025029500000000 ] - [ -0.0004359100000000, -0.0001591700000000, -0.0023751400000000 ] - [ 0.0000311900000000, 0.0003198500000000, 0.0011379900000000 ] - [ -0.0006161800000000, -0.0017078400000000, -0.0002608000000000 ] - [ -0.0007980500000000, 0.0001404000000000, 0.0028433600000000 ] - [ -0.0007555100000000, 0.0005310900000000, 0.0013002000000000 ] - [ 0.0004071300000000, 0.0008421400000000, 0.0016223900000000 ] - [ 0.0005092700000000, -0.0017603000000000, -0.0021275100000000 ] - [ 0.0004479500000000, 0.0026192100000000, -0.0029629800000000 ] - [ 0.0003238500000000, -0.0004288100000000, 0.0019999800000000 ] - [ 0.0000847300000000, 0.0001354300000000, 0.0009697700000000 ] - [ -0.0006642100000000, 0.0006220800000000, -0.0015088600000000 ] - [ -0.0647049900000000, 0.1024028300000000, -0.1184616300000000 ] - [ 0.0001203700000000, 0.0007894800000000, 0.0006829800000000 ] - [ 0.0054121300000000, 0.0018736000000000, -0.0344586800000000 ] - [ -0.0005421100000000, -0.0000468800000000, 0.0012769600000000 ] - [ -0.0205583100000000, 0.0009699400000000, 0.0031222400000000 ] - [ 0.0006472100000000, -0.0009688400000000, 0.0006290900000000 ] - [ 0.0002639800000000, -0.0004835900000000, 0.0011061500000000 ] - [ -0.0000814400000000, 0.0002338400000000, 0.0006597600000000 ] - [ -0.0001551400000000, -0.0005997000000000, 0.0010066300000000 ] - [ -0.0001382500000000, 0.0007448600000000, 0.0007137100000000 ] - [ 0.0003758400000000, 0.0003498600000000, -0.0039767100000000 ] - [ 0.0389785500000000, -0.0080025500000000, -0.1720723300000000 ] - [ 0.0000699500000000, 0.0000366100000000, -0.0002689100000000 ] - [ 0.0005934600000000, 0.0010679400000000, 0.0008473600000000 ] - [ 0.0001423600000000, 0.0002418800000000, -0.0030500300000000 ] - [ 0.0000900400000000, -0.0005899900000000, 0.0013088000000000 ] - [ -0.0003103700000000, -0.0003411400000000, 0.0010848400000000 ] - [ 0.0010124700000000, 0.0000708800000000, 0.0037105000000000 ] - [ 0.0033035700000000, 0.0079635300000000, 0.0081573900000000 ] - [ -0.0010275900000000, -0.0018604500000000, 0.0007682000000000 ] - [ 0.0024243300000000, -0.0005893000000000, -0.0014228400000000 ] - [ -0.0004188100000000, -0.0001727900000000, 0.0000371100000000 ] - [ 0.0002292500000000, 0.0002373700000000, 0.0005346800000000 ] - [ -0.0009531000000000, 0.0000659800000000, 0.0042963000000000 ] - [ -0.0060430500000000, -0.0006119300000000, -0.0124113200000000 ] - [ 0.0006599600000000, 0.0003417200000000, 0.0028335100000000 ] - [ 0.0008798800000000, -0.0082565800000000, 0.0071626500000000 ] - [ -0.0005375100000000, 0.0013265800000000, 0.0005151900000000 ] - [ -0.0006076100000000, 0.0013476000000000, 0.0007753100000000 ] - [ 0.0002097300000000, 0.0002213500000000, 0.0003826500000000 ] - [ 0.0009469800000000, 0.0005493700000000, -0.0009968200000000 ] - [ 0.0002799000000000, 0.0007007500000000, 0.0017042000000000 ] - [ -0.0003403200000000, 0.0015767700000000, -0.0000174800000000 ] - [ -0.0002011600000000, -0.0017042000000000, -0.0022062600000000 ] - [ -0.0003734400000000, -0.0012082500000000, 0.0008266900000000 ] - [ -0.0310246700000000, -0.0817835600000000, -0.0848924000000000 ] - [ 0.0005216700000000, -0.0012002200000000, 0.0010152800000000 ] - [ -0.0004446900000000, 0.0008187000000000, 0.0012002100000000 ] - [ 0.0000704700000000, 0.0016117500000000, -0.0031568100000000 ]- atom: 50 displacement: [ 0.0099999995909515, 0.0000000000000000, -0.0000028602394792 ] forces: - [ 0.0004309300000000, -0.0000707700000000, 0.0007468100000000 ] - [ -0.0000685800000000, -0.0002156900000000, 0.0002576000000000 ] - [ -0.0007262000000000, 0.0001047300000000, -0.0038074400000000 ] - [ 0.0003743100000000, 0.0001690100000000, -0.0005649600000000 ] - [ 0.0091997400000000, 0.0004066300000000, 0.0065106100000000 ] - [ -0.0002583100000000, 0.0003005700000000, -0.0000965100000000 ] - [ -0.0000070600000000, -0.0001324700000000, 0.0001625700000000 ] - [ -0.0003977300000000, -0.0002462700000000, -0.0000637700000000 ] - [ -0.0000029800000000, 0.0001129800000000, -0.0000199400000000 ] - [ 0.0000244100000000, 0.0001401300000000, 0.0000698200000000 ] - [ 0.0000058400000000, 0.0002765100000000, -0.0000712800000000 ] - [ 0.0000171200000000, -0.0000138400000000, -0.0000419100000000 ] - [ -0.0002368000000000, 0.0003134400000000, -0.0000955500000000 ] - [ 0.0002521100000000, -0.0006001000000000, 0.0029209900000000 ] - [ 0.0000489100000000, 0.0001431000000000, -0.0001699700000000 ] - [ 0.0044733000000000, -0.0009147600000000, 0.0005548500000000 ] - [ 0.0010439700000000, -0.0015971300000000, 0.0014114800000000 ] - [ -0.0000069700000000, -0.0001876500000000, 0.0001333600000000 ] - [ -0.0001947500000000, -0.0001809300000000, 0.0000608700000000 ] - [ 0.0001542800000000, 0.0003831800000000, 0.0000551400000000 ] - [ 0.0000569400000000, 0.0001494300000000, 0.0001672400000000 ] - [ -0.0007229700000000, -0.0002612800000000, 0.0002421600000000 ] - [ 0.0005082000000000, -0.0002331600000000, -0.0000247300000000 ] - [ -0.0000999800000000, 0.0001371400000000, -0.0001212700000000 ] - [ -0.0009100500000000, 0.0045143000000000, -0.0032225100000000 ] - [ -0.0000154200000000, -0.0000118400000000, 0.0000508900000000 ] - [ 0.0012662600000000, 0.0035934300000000, 0.0106250700000000 ] - [ 0.0143071200000000, -0.0047588900000000, -0.0057724600000000 ] - [ 0.0000441100000000, 0.0002743100000000, -0.0002086200000000 ] - [ -0.0016057200000000, -0.0030238900000000, -0.0028802900000000 ] - [ -0.0010090500000000, 0.0001985800000000, 0.0003579500000000 ] - [ 0.0000324500000000, -0.0003563000000000, -0.0003640400000000 ] - [ 0.0000111700000000, 0.0000870400000000, -0.0000535900000000 ] - [ -0.0007313900000000, -0.0103361700000000, -0.0028466000000000 ] - [ -0.0032159200000000, 0.0074002700000000, -0.0020820800000000 ] - [ -0.0000127500000000, 0.0000337500000000, -0.0001586600000000 ] - [ 0.0001267100000000, -0.0000511000000000, -0.0001353000000000 ] - [ 0.0000889400000000, -0.0007149200000000, -0.0017018100000000 ] - [ 0.0000795700000000, -0.0001055000000000, 0.0000272400000000 ] - [ 0.0008349900000000, 0.0011160600000000, 0.0009955400000000 ] - [ -0.0000504700000000, 0.0000290500000000, -0.0002923800000000 ] - [ 0.0001297700000000, 0.0010295800000000, -0.0015325800000000 ] - [ 0.0001505800000000, -0.0003985800000000, 0.0001288100000000 ] - [ 0.0004209500000000, -0.0001071700000000, 0.0000059300000000 ] - [ 0.0006277300000000, 0.0005578400000000, 0.0021762700000000 ] - [ 0.0038332000000000, 0.0008245600000000, 0.0005832200000000 ] - [ -0.0000039900000000, 0.0002751000000000, -0.0000329600000000 ] - [ -0.0000549500000000, -0.0000943500000000, -0.0001333700000000 ] - [ -0.0003189700000000, -0.0007888000000000, -0.0002227200000000 ] - [ -0.4794518700000000, 0.0061821300000000, -0.0344826100000000 ] - [ -0.0000578400000000, -0.0001931400000000, -0.0001434600000000 ] - [ -0.0002562500000000, 0.0000949000000000, -0.0001567600000000 ] - [ 0.0004837800000000, 0.0001538100000000, -0.0007597800000000 ] - [ 0.0001722700000000, 0.0001688900000000, -0.0000061300000000 ] - [ -0.0004485900000000, -0.0004820900000000, -0.0002037400000000 ] - [ 0.0177957600000000, -0.0000120200000000, -0.0177898200000000 ] - [ 0.0002332000000000, 0.0004167000000000, -0.0001590100000000 ] - [ 0.0001441100000000, -0.0001491600000000, 0.0002335200000000 ] - [ 0.0092930700000000, -0.0010946200000000, 0.0105732400000000 ] - [ -0.0009570000000000, -0.0002491600000000, 0.0006167800000000 ] - [ -0.0000748400000000, 0.0001580600000000, 0.0003664600000000 ] - [ 0.0002616300000000, 0.0000687900000000, 0.0002281900000000 ] - [ 0.0005587200000000, 0.0001413200000000, -0.0006888200000000 ] - [ 0.0593289400000000, 0.0010514300000000, 0.0085727400000000 ] - [ 0.0001032800000000, 0.0002475400000000, -0.0000407700000000 ] - [ -0.0001356500000000, 0.0000772800000000, 0.0001052900000000 ] - [ 0.0019217300000000, -0.0001248500000000, -0.0005133400000000 ] - [ -0.0000491100000000, 0.0000487900000000, -0.0000521100000000 ] - [ 0.0003378300000000, -0.0011783300000000, -0.0016730100000000 ] - [ -0.0006321800000000, -0.0015261600000000, 0.0019277100000000 ] - [ -0.0016858400000000, 0.0004439900000000, -0.0006352800000000 ] - [ 0.0001562100000000, -0.0000393600000000, 0.0005199000000000 ] - [ -0.0156247800000000, 0.0000815100000000, -0.0004711900000000 ] - [ -0.0013429500000000, 0.0000654200000000, -0.0003360900000000 ] - [ 0.0003077700000000, -0.0002342500000000, -0.0006252600000000 ] - [ 0.0016781200000000, -0.0004041100000000, 0.0002687900000000 ] - [ 0.0023689400000000, 0.0002584800000000, -0.0005090800000000 ] - [ -0.0003158700000000, -0.0000432300000000, 0.0001798800000000 ] - [ -0.0088239000000000, 0.0100804700000000, 0.0035466400000000 ] - [ 0.0006138800000000, 0.0004281500000000, -0.0001192600000000 ] - [ -0.0007203200000000, 0.0002075600000000, 0.0003312000000000 ] - [ 0.0000787100000000, 0.0001733800000000, 0.0001016300000000 ] - [ -0.0002194800000000, 0.0000891300000000, 0.0005128300000000 ] - [ 0.0353749300000000, -0.0034469800000000, -0.0205036800000000 ] - [ 0.0000435700000000, -0.0000724700000000, 0.0000820500000000 ] - [ 0.0002605900000000, 0.0000950700000000, -0.0001813400000000 ] - [ 0.0001503900000000, 0.0000715500000000, 0.0000960800000000 ] - [ -0.0094759800000000, 0.0006896400000000, -0.0206103900000000 ] - [ -0.0000776600000000, 0.0002147000000000, 0.0001533800000000 ] - [ -0.0003702500000000, 0.0002203900000000, 0.0008408900000000 ] - [ -0.0001014900000000, 0.0001999100000000, -0.0004090400000000 ] - [ -0.0002508800000000, -0.0001198200000000, 0.0001778700000000 ] - [ 0.0793229900000000, 0.0736680200000000, 0.0389830800000000 ] - [ 0.0012564500000000, 0.0012081100000000, -0.0006053500000000 ] - [ 0.1845109400000000, 0.0148287500000000, -0.0312260600000000 ] - [ -0.0098575100000000, -0.0105601500000000, 0.0047902900000000 ] - [ 0.0001344200000000, 0.0000951400000000, -0.0000914800000000 ] - [ -0.0001079500000000, -0.0002489800000000, -0.0008762400000000 ] - [ 0.0000995700000000, 0.0002841600000000, 0.0007060300000000 ] - [ -0.0002098500000000, 0.0001123000000000, -0.0000007500000000 ] - [ 0.1077736700000000, -0.0916078700000000, 0.0557121700000000 ] - [ -0.0001142100000000, 0.0003342000000000, 0.0001572500000000 ] - [ 0.0000090200000000, 0.0002325900000000, -0.0002566600000000 ] - [ 0.0017033000000000, -0.0022749000000000, -0.0008313100000000 ] - [ -0.0007257800000000, 0.0006640000000000, 0.0001956500000000 ] - [ 0.0001803400000000, -0.0004107800000000, -0.0000622000000000 ] - [ -0.0008467300000000, 0.0018182000000000, 0.0037369300000000 ] - [ 0.0000217700000000, -0.0001157800000000, 0.0001204200000000 ] - [ -0.0017848200000000, 0.0007866400000000, 0.0006288800000000 ] - [ 0.0000339500000000, -0.0000047600000000, 0.0002863500000000 ] - [ 0.0000941400000000, 0.0001698100000000, -0.0000939300000000 ] - [ 0.0000189600000000, 0.0010928800000000, -0.0011652700000000 ]- atom: 50 displacement: [ -0.0099999995909515, 0.0000000000000000, 0.0000028602394792 ] forces: - [ -0.0004010400000000, 0.0003141000000000, -0.0003186700000000 ] - [ -0.0004559800000000, -0.0003796000000000, -0.0003964800000000 ] - [ 0.0012299100000000, 0.0004861200000000, 0.0039081000000000 ] - [ -0.0003929900000000, 0.0000818400000000, 0.0001293700000000 ] - [ -0.0092799000000000, -0.0006634700000000, -0.0070842900000000 ] - [ -0.0002647500000000, 0.0002960800000000, -0.0000401900000000 ] - [ 0.0000290700000000, -0.0001181900000000, 0.0002734600000000 ] - [ 0.0009138700000000, -0.0003530700000000, 0.0002022500000000 ] - [ 0.0000400600000000, 0.0001091900000000, 0.0000289500000000 ] - [ 0.0000913200000000, 0.0001411000000000, 0.0001237500000000 ] - [ -0.0000075000000000, 0.0002871900000000, -0.0000047700000000 ] - [ -0.0000142300000000, -0.0000190900000000, 0.0000161900000000 ] - [ -0.0000227500000000, -0.0002569300000000, 0.0002131000000000 ] - [ -0.0000638500000000, 0.0004298300000000, -0.0027582400000000 ] - [ 0.0000711800000000, 0.0000197100000000, 0.0000058600000000 ] - [ -0.0046199600000000, 0.0011557400000000, -0.0007302700000000 ] - [ -0.0009162900000000, 0.0014143700000000, -0.0015600700000000 ] - [ -0.0000295800000000, -0.0000344500000000, -0.0001398600000000 ] - [ 0.0000702300000000, 0.0003409000000000, 0.0001038900000000 ] - [ -0.0001508600000000, 0.0001837900000000, 0.0000216200000000 ] - [ -0.0000327300000000, 0.0001808300000000, 0.0003013500000000 ] - [ 0.0005966800000000, 0.0000988700000000, -0.0000753800000000 ] - [ -0.0005075400000000, 0.0002653500000000, 0.0000528000000000 ] - [ 0.0000644000000000, 0.0002349600000000, 0.0001316300000000 ] - [ 0.0009607700000000, -0.0044546800000000, 0.0031844100000000 ] - [ -0.0001071100000000, -0.0002702100000000, -0.0002445700000000 ] - [ -0.0012737400000000, -0.0039001100000000, -0.0104612000000000 ] - [ -0.0144869200000000, 0.0045170200000000, 0.0063970700000000 ] - [ 0.0001316300000000, -0.0000749800000000, 0.0003734100000000 ] - [ 0.0016215800000000, 0.0024441500000000, 0.0027879300000000 ] - [ 0.0007403300000000, -0.0002501800000000, -0.0002368400000000 ] - [ 0.0000648900000000, 0.0002719800000000, 0.0005562100000000 ] - [ -0.0000341800000000, 0.0002425700000000, -0.0004107900000000 ] - [ 0.0008525100000000, 0.0098717900000000, 0.0029951400000000 ] - [ 0.0032435200000000, -0.0074856500000000, 0.0020599500000000 ] - [ -0.0000853000000000, 0.0000541000000000, -0.0000373000000000 ] - [ 0.0001300200000000, 0.0001065600000000, 0.0000143900000000 ] - [ -0.0002104800000000, 0.0009838200000000, 0.0014842000000000 ] - [ -0.0000789800000000, 0.0000691700000000, -0.0000006600000000 ] - [ -0.0005722300000000, -0.0011616700000000, -0.0011086600000000 ] - [ 0.0000268600000000, -0.0003561500000000, -0.0001769000000000 ] - [ -0.0001676700000000, -0.0007961500000000, 0.0015040900000000 ] - [ -0.0001160200000000, 0.0000242200000000, -0.0001373600000000 ] - [ -0.0004161600000000, -0.0004562700000000, 0.0000726100000000 ] - [ -0.0005119400000000, -0.0004943900000000, -0.0019805700000000 ] - [ -0.0039149400000000, -0.0009411300000000, -0.0007746400000000 ] - [ 0.0000374000000000, 0.0000978200000000, 0.0000233800000000 ] - [ -0.0001207500000000, -0.0001041600000000, -0.0000337200000000 ] - [ 0.0007749100000000, 0.0005524600000000, 0.0005004100000000 ] - [ 0.4681105400000000, -0.0094617000000000, 0.0392314400000000 ] - [ -0.0005209700000000, -0.0000263600000000, -0.0001983900000000 ] - [ 0.0001067800000000, 0.0000999200000000, 0.0006302100000000 ] - [ -0.0002857400000000, 0.0002689300000000, 0.0004867800000000 ] - [ 0.0004068700000000, 0.0000567700000000, 0.0003532900000000 ] - [ -0.0001454000000000, 0.0006978500000000, -0.0001438700000000 ] - [ -0.0180877800000000, -0.0001699500000000, 0.0175466900000000 ] - [ -0.0006786900000000, -0.0001792700000000, -0.0001135400000000 ] - [ 0.0000044100000000, -0.0000424400000000, -0.0007024400000000 ] - [ -0.0090348500000000, 0.0006578300000000, -0.0107340500000000 ] - [ 0.0007566100000000, -0.0001624800000000, -0.0003401500000000 ] - [ -0.0001202900000000, 0.0002614900000000, -0.0000867800000000 ] - [ 0.0001932400000000, 0.0001646100000000, 0.0000532300000000 ] - [ -0.0004060800000000, 0.0000641500000000, 0.0002178300000000 ] - [ -0.0588928300000000, -0.0012334400000000, -0.0081205800000000 ] - [ -0.0003000800000000, -0.0001947800000000, -0.0000230400000000 ] - [ 0.0000051400000000, 0.0001236100000000, -0.0003081200000000 ] - [ -0.0020736500000000, 0.0000607300000000, 0.0004345700000000 ] - [ 0.0000416700000000, 0.0001607800000000, -0.0001191300000000 ] - [ -0.0003854400000000, 0.0006665400000000, 0.0018486600000000 ] - [ 0.0007355600000000, 0.0012575200000000, -0.0021604200000000 ] - [ 0.0014171800000000, -0.0004135400000000, 0.0007715600000000 ] - [ -0.0002541100000000, 0.0002325700000000, -0.0000576000000000 ] - [ 0.0153368300000000, -0.0005085500000000, 0.0009197000000000 ] - [ 0.0013246800000000, -0.0002683400000000, 0.0001590200000000 ] - [ -0.0002269900000000, 0.0004628900000000, 0.0003602000000000 ] - [ -0.0015147700000000, -0.0000412500000000, -0.0007816200000000 ] - [ -0.0022938900000000, 0.0002674400000000, 0.0004148400000000 ] - [ 0.0002054500000000, -0.0001498500000000, 0.0002805100000000 ] - [ 0.0089983700000000, -0.0099978700000000, -0.0034595300000000 ] - [ -0.0006029200000000, -0.0002072800000000, 0.0002803000000000 ] - [ 0.0005559000000000, 0.0002336000000000, 0.0001998100000000 ] - [ -0.0000241100000000, -0.0000723400000000, 0.0000866000000000 ] - [ 0.0001658100000000, 0.0000056200000000, -0.0006986700000000 ] - [ -0.0350690200000000, 0.0033022000000000, 0.0205829000000000 ] - [ 0.0000888300000000, -0.0001293900000000, 0.0001081500000000 ] - [ -0.0001494700000000, 0.0000990400000000, -0.0002803400000000 ] - [ 0.0000832600000000, -0.0000432200000000, -0.0002429300000000 ] - [ 0.0092552300000000, -0.0011259600000000, 0.0204046100000000 ] - [ -0.0000017800000000, 0.0000220600000000, 0.0001037400000000 ] - [ 0.0003222700000000, 0.0002996200000000, -0.0006439300000000 ] - [ 0.0002259800000000, 0.0002381800000000, 0.0004687200000000 ] - [ 0.0000112800000000, 0.0000850500000000, -0.0000325500000000 ] - [ -0.0787105400000000, -0.0754920700000000, -0.0399294400000000 ] - [ -0.0011929200000000, -0.0017229900000000, 0.0004185900000000 ] - [ -0.1735186100000000, -0.0138553500000000, 0.0292087300000000 ] - [ 0.0098026600000000, 0.0099971300000000, -0.0046722900000000 ] - [ -0.0000019000000000, 0.0001065700000000, 0.0002851700000000 ] - [ 0.0002344800000000, -0.0001902300000000, 0.0009393200000000 ] - [ -0.0002288500000000, 0.0001543400000000, -0.0007770300000000 ] - [ 0.0002046100000000, -0.0002723300000000, -0.0001858500000000 ] - [ -0.1080453800000000, 0.0949241000000000, -0.0578221100000000 ] - [ 0.0000725300000000, 0.0001981000000000, -0.0000672000000000 ] - [ 0.0001453200000000, 0.0002093300000000, -0.0002681300000000 ] - [ -0.0016276000000000, 0.0021418700000000, 0.0010119600000000 ] - [ 0.0006978000000000, -0.0004803300000000, -0.0003702500000000 ] - [ -0.0001355200000000, -0.0001253500000000, -0.0000305700000000 ] - [ 0.0008673300000000, -0.0020161200000000, -0.0035195900000000 ] - [ 0.0001750300000000, 0.0000634200000000, -0.0000570100000000 ] - [ 0.0016917000000000, -0.0010319200000000, -0.0003774700000000 ] - [ -0.0000290600000000, 0.0001645600000000, -0.0000999500000000 ] - [ -0.0000466200000000, 0.0003474800000000, -0.0000981700000000 ] - [ -0.0000722700000000, -0.0011862700000000, 0.0009615400000000 ]- atom: 50 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001309900000000, 0.0053711400000000, 0.0009294200000000 ] - [ -0.0003241400000000, 0.0002380400000000, -0.0000681400000000 ] - [ 0.0002010000000000, -0.0015854400000000, -0.0004450500000000 ] - [ -0.0000800900000000, 0.0000775300000000, 0.0000178500000000 ] - [ 0.0009818400000000, -0.0037540900000000, 0.0000171400000000 ] - [ -0.0002619400000000, 0.0002747900000000, 0.0000440600000000 ] - [ 0.0000168500000000, -0.0001310300000000, 0.0003052500000000 ] - [ 0.0003316000000000, -0.0005089100000000, 0.0004068700000000 ] - [ 0.0000211900000000, 0.0000837000000000, 0.0000716400000000 ] - [ 0.0000643000000000, 0.0001722700000000, 0.0001545100000000 ] - [ 0.0000058500000000, 0.0002617400000000, 0.0000360700000000 ] - [ -0.0000157600000000, 0.0000305300000000, -0.0000204300000000 ] - [ -0.0000555100000000, 0.0000994100000000, 0.0000237400000000 ] - [ 0.0003783500000000, 0.0027235500000000, -0.0044987900000000 ] - [ 0.0000566100000000, 0.0001249600000000, -0.0000417600000000 ] - [ -0.0038504600000000, 0.0035724500000000, -0.0006786500000000 ] - [ 0.0002510800000000, -0.0003876500000000, -0.0002834700000000 ] - [ 0.0000059600000000, -0.0001941200000000, 0.0000637600000000 ] - [ -0.0002548300000000, 0.0000267200000000, 0.0003675500000000 ] - [ -0.0001414400000000, 0.0003506700000000, -0.0000373400000000 ] - [ 0.0000190000000000, 0.0001456000000000, 0.0002697600000000 ] - [ 0.0000730100000000, 0.0001684200000000, 0.0002618000000000 ] - [ -0.0000642000000000, 0.0001726100000000, 0.0000681100000000 ] - [ -0.0000665600000000, 0.0001548100000000, 0.0000442700000000 ] - [ 0.0039010600000000, 0.0115215200000000, -0.0120106500000000 ] - [ -0.0000467900000000, -0.0000656800000000, 0.0000189500000000 ] - [ 0.0033052400000000, -0.0008059700000000, 0.0037214300000000 ] - [ -0.0050964500000000, -0.0025770900000000, 0.0036665000000000 ] - [ 0.0000736700000000, 0.0000300400000000, 0.0000871900000000 ] - [ -0.0019824200000000, 0.0106976600000000, 0.0099653300000000 ] - [ -0.0003527700000000, -0.0002512700000000, -0.0004285800000000 ] - [ 0.0000314500000000, 0.0001276500000000, 0.0003461800000000 ] - [ -0.0000152000000000, 0.0004752900000000, -0.0003319600000000 ] - [ -0.0117803500000000, 0.0079584100000000, 0.0026165900000000 ] - [ 0.0090782700000000, 0.0075190100000000, -0.0018438900000000 ] - [ -0.0000519200000000, 0.0000708500000000, -0.0000036700000000 ] - [ 0.0001326900000000, -0.0000260500000000, -0.0000301800000000 ] - [ -0.0002617600000000, -0.0002399900000000, -0.0000040900000000 ] - [ 0.0002015000000000, -0.0001933100000000, 0.0001624800000000 ] - [ 0.0000910200000000, 0.0001650400000000, -0.0000483900000000 ] - [ 0.0000260700000000, -0.0000610700000000, -0.0003829700000000 ] - [ -0.0000094700000000, 0.0002321400000000, -0.0003240500000000 ] - [ -0.0000124100000000, -0.0001597000000000, -0.0001788000000000 ] - [ 0.0000977700000000, -0.0004299300000000, -0.0000961000000000 ] - [ 0.0000590200000000, 0.0025020300000000, 0.0051815600000000 ] - [ 0.0049434900000000, 0.0026299100000000, 0.0005005300000000 ] - [ 0.0000145100000000, 0.0002068200000000, 0.0000576300000000 ] - [ -0.0000913700000000, -0.0001170400000000, -0.0000191500000000 ] - [ 0.0001145000000000, 0.0032171400000000, -0.0003693700000000 ] - [ 0.0130386500000000, -0.5437952300000000, -0.0014031000000000 ] - [ -0.0001987400000000, 0.0000959100000000, -0.0003008100000000 ] - [ -0.0000794100000000, 0.0001024000000000, 0.0003309900000000 ] - [ 0.0002253100000000, 0.0007698400000000, -0.0000872600000000 ] - [ 0.0002273400000000, 0.0000513600000000, 0.0003379300000000 ] - [ -0.0008788400000000, 0.0027446400000000, -0.0000905200000000 ] - [ 0.0000797400000000, 0.0085286700000000, -0.0016615200000000 ] - [ 0.0001211400000000, -0.0013946900000000, 0.0001078900000000 ] - [ -0.0000511300000000, 0.0001219500000000, -0.0004011300000000 ] - [ 0.0000237700000000, -0.0007602100000000, 0.0006863200000000 ] - [ 0.0000870600000000, 0.0040878000000000, -0.0003287700000000 ] - [ -0.0001038800000000, 0.0002948000000000, 0.0004673700000000 ] - [ 0.0002205300000000, 0.0001902000000000, 0.0004329700000000 ] - [ 0.0002180200000000, 0.0027896000000000, -0.0000989500000000 ] - [ 0.0015291200000000, 0.0066789900000000, 0.0008641500000000 ] - [ -0.0001579300000000, -0.0002577900000000, -0.0000965500000000 ] - [ -0.0000037000000000, 0.0001874600000000, -0.0004081200000000 ] - [ 0.0021835400000000, -0.0038156800000000, -0.0026697600000000 ] - [ -0.0000572900000000, -0.0000601600000000, -0.0002308700000000 ] - [ -0.0001173900000000, -0.0004485700000000, -0.0002128100000000 ] - [ 0.0009469400000000, -0.0008526700000000, -0.0013884800000000 ] - [ 0.0013214400000000, -0.0033703600000000, 0.0018426600000000 ] - [ 0.0001508200000000, 0.0000851600000000, 0.0002022300000000 ] - [ 0.0006260900000000, -0.0003759800000000, 0.0008204200000000 ] - [ -0.0006553900000000, -0.0033023800000000, 0.0023270100000000 ] - [ 0.0002480100000000, 0.0007945900000000, 0.0010920200000000 ] - [ 0.0001122900000000, -0.0011912400000000, 0.0001379900000000 ] - [ -0.0016802800000000, -0.0030719600000000, 0.0020954800000000 ] - [ -0.0000621800000000, -0.0001138100000000, 0.0001808800000000 ] - [ -0.0037798900000000, 0.0012687200000000, -0.0010832500000000 ] - [ -0.0001699500000000, 0.0013596200000000, -0.0016854900000000 ] - [ -0.0003522400000000, 0.0001067300000000, 0.0003755700000000 ] - [ 0.0000770000000000, 0.0001209900000000, 0.0000229700000000 ] - [ 0.0000349700000000, -0.0001876700000000, -0.0002984500000000 ] - [ -0.0027478600000000, 0.0360282100000000, 0.0029606900000000 ] - [ -0.0000619800000000, -0.0001595800000000, 0.0002896600000000 ] - [ 0.0001122200000000, 0.0000969900000000, -0.0003274400000000 ] - [ 0.0000991500000000, 0.0000291300000000, -0.0001602500000000 ] - [ -0.0002304700000000, 0.0000205100000000, -0.0010818400000000 ] - [ -0.0000768900000000, 0.0002013400000000, 0.0000553400000000 ] - [ -0.0001591000000000, 0.0003020600000000, 0.0005037700000000 ] - [ -0.0000566400000000, 0.0003095700000000, -0.0005645900000000 ] - [ -0.0001626900000000, -0.0000436200000000, -0.0000036800000000 ] - [ 0.0676305700000000, 0.2262328100000000, 0.0787904500000000 ] - [ 0.0005317800000000, -0.0040465100000000, 0.0026765000000000 ] - [ 0.0161083000000000, 0.0370583900000000, -0.0033578700000000 ] - [ 0.0037254400000000, -0.0010100600000000, 0.0016379600000000 ] - [ 0.0001596800000000, 0.0001131300000000, -0.0004442300000000 ] - [ 0.0002225900000000, -0.0003517900000000, 0.0003446300000000 ] - [ -0.0000947000000000, 0.0001873700000000, -0.0001399700000000 ] - [ 0.0000721500000000, -0.0003595300000000, -0.0001501300000000 ] - [ -0.0946122800000000, 0.1998130800000000, -0.0804970400000000 ] - [ -0.0000117700000000, 0.0002619700000000, -0.0000857700000000 ] - [ 0.0000547300000000, 0.0001834900000000, -0.0002913400000000 ] - [ -0.0008622700000000, -0.0042776000000000, -0.0022933400000000 ] - [ -0.0024268100000000, -0.0028494300000000, -0.0027653500000000 ] - [ 0.0000716100000000, -0.0002727100000000, -0.0001364500000000 ] - [ -0.0014733700000000, -0.0018728400000000, 0.0007173500000000 ] - [ 0.0001190100000000, -0.0000350200000000, -0.0000661900000000 ] - [ 0.0009745000000000, -0.0037506100000000, -0.0022133700000000 ] - [ -0.0000103800000000, 0.0001464700000000, -0.0000550000000000 ] - [ 0.0000920000000000, 0.0000784400000000, -0.0002466700000000 ] - [ 0.0000979300000000, 0.0006712200000000, -0.0002355200000000 ]- atom: 50 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000953500000000, -0.0051177300000000, -0.0004948800000000 ] - [ -0.0001994800000000, -0.0008312900000000, -0.0000416500000000 ] - [ 0.0003323300000000, 0.0021865700000000, 0.0006049900000000 ] - [ 0.0000587700000000, 0.0001812600000000, -0.0004793800000000 ] - [ -0.0010650900000000, 0.0034943500000000, -0.0004827500000000 ] - [ -0.0002629800000000, 0.0003097300000000, -0.0001255600000000 ] - [ 0.0000161500000000, -0.0001257900000000, 0.0001130600000000 ] - [ 0.0001638600000000, -0.0001083800000000, -0.0002513800000000 ] - [ -0.0000135700000000, 0.0001642500000000, -0.0000687800000000 ] - [ 0.0000336600000000, 0.0000887800000000, 0.0000147600000000 ] - [ -0.0000085800000000, 0.0003040800000000, -0.0001147400000000 ] - [ 0.0000144500000000, -0.0000788900000000, -0.0000113600000000 ] - [ -0.0001986200000000, -0.0000738000000000, 0.0000997200000000 ] - [ -0.0001864900000000, -0.0029197900000000, 0.0045609800000000 ] - [ 0.0000626500000000, 0.0000070600000000, -0.0001160900000000 ] - [ 0.0035657500000000, -0.0033648400000000, 0.0005111600000000 ] - [ -0.0001380200000000, 0.0002528800000000, 0.0001257500000000 ] - [ -0.0000234700000000, -0.0000262600000000, -0.0001179500000000 ] - [ 0.0001359800000000, 0.0001491500000000, -0.0001979100000000 ] - [ 0.0001407900000000, 0.0001981100000000, 0.0001054500000000 ] - [ 0.0000081200000000, 0.0001960100000000, 0.0001922900000000 ] - [ -0.0001990700000000, -0.0003384300000000, -0.0001104300000000 ] - [ 0.0000746500000000, -0.0001540900000000, -0.0000429400000000 ] - [ 0.0000325200000000, 0.0002255900000000, -0.0000330700000000 ] - [ -0.0039610700000000, -0.0116514800000000, 0.0122492300000000 ] - [ -0.0000619300000000, -0.0002264600000000, -0.0002315500000000 ] - [ -0.0033506700000000, 0.0003826300000000, -0.0037227900000000 ] - [ 0.0050843200000000, 0.0021662000000000, -0.0031521800000000 ] - [ 0.0000974200000000, 0.0001491000000000, 0.0000600100000000 ] - [ 0.0019719100000000, -0.0110902100000000, -0.0098149500000000 ] - [ 0.0000935200000000, 0.0002242200000000, 0.0005181300000000 ] - [ 0.0000614900000000, -0.0001978600000000, -0.0001853500000000 ] - [ -0.0000087900000000, -0.0001432400000000, -0.0001407700000000 ] - [ 0.0121232800000000, -0.0083382400000000, -0.0024514100000000 ] - [ -0.0088628400000000, -0.0076458300000000, 0.0018545400000000 ] - [ -0.0000254000000000, -0.0000307700000000, -0.0001818200000000 ] - [ 0.0001254900000000, 0.0000963800000000, -0.0000592900000000 ] - [ 0.0001394800000000, 0.0005467700000000, -0.0001725000000000 ] - [ -0.0001983400000000, 0.0001635300000000, -0.0001404500000000 ] - [ 0.0001614500000000, -0.0002307800000000, -0.0000556400000000 ] - [ -0.0000462900000000, -0.0002473500000000, -0.0000840900000000 ] - [ -0.0000364000000000, -0.0000407800000000, 0.0003135200000000 ] - [ 0.0000451800000000, -0.0001880200000000, 0.0001785900000000 ] - [ -0.0000952800000000, -0.0001087000000000, 0.0001676700000000 ] - [ 0.0000428100000000, -0.0024242700000000, -0.0051083700000000 ] - [ -0.0051657500000000, -0.0027080800000000, -0.0006876500000000 ] - [ 0.0000207100000000, 0.0001578300000000, -0.0000612000000000 ] - [ -0.0000540400000000, -0.0000385000000000, -0.0001634500000000 ] - [ 0.0003542400000000, -0.0034634300000000, 0.0006748800000000 ] - [ -0.0025871000000000, 0.5469744000000000, 0.0118395700000000 ] - [ -0.0003521000000000, -0.0003311300000000, 0.0000051800000000 ] - [ -0.0000617700000000, 0.0001185900000000, 0.0000884900000000 ] - [ -0.0000285700000000, -0.0003285300000000, -0.0001684700000000 ] - [ 0.0003524200000000, 0.0002012900000000, -0.0000533700000000 ] - [ 0.0003181100000000, -0.0025195800000000, -0.0002625600000000 ] - [ -0.0005309900000000, -0.0087059700000000, 0.0014749200000000 ] - [ -0.0005808500000000, 0.0016229200000000, -0.0003833900000000 ] - [ 0.0001385500000000, -0.0003179200000000, -0.0000142700000000 ] - [ 0.0001002300000000, 0.0003885600000000, -0.0009049300000000 ] - [ -0.0002936000000000, -0.0045362900000000, 0.0006266000000000 ] - [ -0.0000692200000000, 0.0001671100000000, -0.0002387600000000 ] - [ 0.0002260200000000, 0.0000824900000000, -0.0002026000000000 ] - [ -0.0000954900000000, -0.0025959100000000, -0.0003726800000000 ] - [ -0.0018050400000000, -0.0068729300000000, -0.0004701300000000 ] - [ -0.0000201600000000, 0.0003865500000000, 0.0000002300000000 ] - [ -0.0001392000000000, 0.0000290600000000, 0.0002528600000000 ] - [ -0.0024353400000000, 0.0037839400000000, 0.0026122400000000 ] - [ -0.0000217100000000, 0.0002775500000000, 0.0000326800000000 ] - [ 0.0001057100000000, -0.0001417100000000, 0.0003570800000000 ] - [ -0.0008396000000000, 0.0005734600000000, 0.0010939300000000 ] - [ -0.0015223700000000, 0.0033944300000000, -0.0016706900000000 ] - [ -0.0002543100000000, 0.0001189600000000, 0.0002393700000000 ] - [ -0.0008490300000000, -0.0000702800000000, -0.0003164600000000 ] - [ 0.0006821700000000, 0.0031403000000000, -0.0025217300000000 ] - [ -0.0001597500000000, -0.0005514800000000, -0.0013648300000000 ] - [ 0.0000217500000000, 0.0007426300000000, -0.0006770000000000 ] - [ 0.0016876700000000, 0.0036064800000000, -0.0021827500000000 ] - [ -0.0000676700000000, -0.0000901200000000, 0.0003233900000000 ] - [ 0.0040070600000000, -0.0013014000000000, 0.0011345600000000 ] - [ 0.0001617700000000, -0.0011901600000000, 0.0018463500000000 ] - [ 0.0002086400000000, 0.0003397800000000, 0.0001332400000000 ] - [ 0.0000098300000000, -0.0000618500000000, 0.0001938200000000 ] - [ -0.0001005900000000, 0.0002803100000000, 0.0000707100000000 ] - [ 0.0023296100000000, -0.0363495100000000, -0.0032630200000000 ] - [ 0.0002046800000000, -0.0000624200000000, -0.0001654400000000 ] - [ 0.0000131600000000, 0.0000963600000000, -0.0001583100000000 ] - [ 0.0001377600000000, 0.0000216100000000, 0.0000525000000000 ] - [ 0.0001331900000000, -0.0004768700000000, 0.0011196900000000 ] - [ -0.0000353600000000, 0.0000035600000000, 0.0002259200000000 ] - [ 0.0001186200000000, 0.0001946400000000, -0.0003469600000000 ] - [ 0.0001919600000000, 0.0001363300000000, 0.0006646700000000 ] - [ -0.0000802300000000, -0.0000101400000000, 0.0001377900000000 ] - [ -0.0721607200000000, -0.2363606800000000, -0.0838126900000000 ] - [ -0.0005025200000000, 0.0035585500000000, -0.0028883900000000 ] - [ -0.0157007900000000, -0.0374258500000000, 0.0025406300000000 ] - [ -0.0037271800000000, 0.0005621700000000, -0.0015669100000000 ] - [ -0.0000332600000000, 0.0001063300000000, 0.0006609300000000 ] - [ -0.0000891300000000, -0.0001109600000000, -0.0003017400000000 ] - [ -0.0000297100000000, 0.0002621900000000, 0.0000869400000000 ] - [ -0.0000679200000000, 0.0002129900000000, -0.0000484700000000 ] - [ 0.0895478100000000, -0.1929899400000000, 0.0758128700000000 ] - [ -0.0000487000000000, 0.0002654900000000, 0.0002100400000000 ] - [ 0.0000751400000000, 0.0002654700000000, -0.0002122700000000 ] - [ 0.0009110300000000, 0.0042201900000000, 0.0024815600000000 ] - [ 0.0024734700000000, 0.0030201800000000, 0.0025896500000000 ] - [ 0.0000098200000000, -0.0003045400000000, 0.0000303800000000 ] - [ 0.0014941100000000, 0.0016580900000000, -0.0005827200000000 ] - [ 0.0000807700000000, -0.0000537300000000, 0.0001963700000000 ] - [ -0.0010296900000000, 0.0035121600000000, 0.0024472700000000 ] - [ -0.0000005700000000, -0.0000132200000000, 0.0002987900000000 ] - [ 0.0000243200000000, 0.0004604400000000, 0.0000252300000000 ] - [ -0.0001486400000000, -0.0007436000000000, 0.0000026900000000 ]- atom: 50 displacement: [ -0.0000185648863736, 0.0000000000000000, 0.0099999827672348 ] forces: - [ -0.0001111300000000, 0.0005025100000000, 0.0005658900000000 ] - [ -0.0003127300000000, -0.0004238100000000, -0.0012304000000000 ] - [ -0.0035392300000000, 0.0001786300000000, 0.0066686500000000 ] - [ -0.0008489100000000, -0.0000459800000000, 0.0017621800000000 ] - [ 0.0086812500000000, 0.0004055500000000, 0.0059399400000000 ] - [ -0.0002298100000000, 0.0002359300000000, 0.0007360000000000 ] - [ -0.0000331000000000, -0.0001236900000000, 0.0012501100000000 ] - [ 0.0018260400000000, -0.0012615500000000, 0.0023162900000000 ] - [ 0.0000992800000000, 0.0000327400000000, 0.0007471300000000 ] - [ 0.0001440300000000, 0.0002221400000000, 0.0007844300000000 ] - [ -0.0000119500000000, 0.0002335000000000, 0.0004566100000000 ] - [ -0.0000443600000000, 0.0000260700000000, 0.0005215800000000 ] - [ -0.0001524000000000, -0.0001137700000000, 0.0006383700000000 ] - [ 0.0004604100000000, -0.0026471400000000, 0.0033120000000000 ] - [ 0.0000959500000000, 0.0001593200000000, 0.0003748700000000 ] - [ 0.0023218200000000, -0.0014342100000000, 0.0000052200000000 ] - [ -0.0000228100000000, -0.0000768100000000, -0.0015587900000000 ] - [ 0.0000077000000000, -0.0003335600000000, 0.0007493400000000 ] - [ -0.0001070000000000, 0.0002260600000000, 0.0006669300000000 ] - [ 0.0000446800000000, 0.0002340200000000, 0.0004545600000000 ] - [ -0.0000077300000000, 0.0001021100000000, 0.0007886500000000 ] - [ 0.0011456800000000, 0.0013666700000000, 0.0002368400000000 ] - [ -0.0010679000000000, 0.0016968400000000, 0.0000755500000000 ] - [ -0.0000412400000000, 0.0001834200000000, 0.0005047400000000 ] - [ -0.0026486700000000, -0.0105274400000000, -0.0020972000000000 ] - [ -0.0000333300000000, 0.0000595700000000, 0.0006040200000000 ] - [ 0.0102359800000000, 0.0041340400000000, 0.0035391200000000 ] - [ -0.0056384800000000, 0.0029995900000000, -0.0044001600000000 ] - [ 0.0001221700000000, -0.0006032400000000, 0.0020224600000000 ] - [ -0.0019337600000000, 0.0083194800000000, -0.0030555200000000 ] - [ 0.0017390300000000, -0.0018022700000000, 0.0002186000000000 ] - [ -0.0000612100000000, 0.0009300700000000, 0.0019485000000000 ] - [ -0.0000090800000000, 0.0001185600000000, 0.0002673300000000 ] - [ -0.0036647400000000, 0.0030446300000000, -0.0016220300000000 ] - [ -0.0031855800000000, -0.0030067400000000, -0.0015577400000000 ] - [ -0.0001426500000000, 0.0001929200000000, 0.0006886300000000 ] - [ 0.0001514100000000, -0.0000039100000000, 0.0003818800000000 ] - [ -0.0001482800000000, 0.0002706900000000, 0.0001059400000000 ] - [ 0.0000239400000000, 0.0000736100000000, 0.0004988000000000 ] - [ 0.0000821800000000, 0.0002577600000000, -0.0012023200000000 ] - [ -0.0001586800000000, -0.0016268700000000, -0.0000925600000000 ] - [ -0.0001717300000000, -0.0000628300000000, 0.0001148500000000 ] - [ 0.0000443000000000, -0.0006631900000000, -0.0005247800000000 ] - [ -0.0011300300000000, -0.0018027500000000, 0.0000912900000000 ] - [ 0.0004773000000000, 0.0023603200000000, 0.0032463500000000 ] - [ 0.0022941900000000, 0.0012673300000000, -0.0001519800000000 ] - [ 0.0000211200000000, 0.0001847800000000, 0.0003467500000000 ] - [ -0.0002051600000000, -0.0001892400000000, 0.0006864300000000 ] - [ -0.0008724500000000, -0.0001773400000000, -0.0017654800000000 ] - [ -0.0330029800000000, -0.0070462900000000, -0.4525717200000000 ] - [ -0.0003131000000000, 0.0000298400000000, -0.0017100800000000 ] - [ 0.0001074800000000, -0.0000202800000000, 0.0023097600000000 ] - [ 0.0006357800000000, 0.0002717500000000, 0.0019926900000000 ] - [ 0.0002790100000000, -0.0001181200000000, 0.0026964700000000 ] - [ -0.0002730800000000, 0.0001418400000000, 0.0013160400000000 ] - [ -0.0210427000000000, -0.0005876500000000, 0.0495780000000000 ] - [ -0.0003645600000000, 0.0000750400000000, 0.0026129400000000 ] - [ -0.0001262400000000, 0.0000616200000000, -0.0011354100000000 ] - [ -0.0116299700000000, -0.0002613600000000, -0.0084535700000000 ] - [ -0.0005435800000000, 0.0001938400000000, -0.0015022700000000 ] - [ -0.0000593600000000, -0.0000268600000000, 0.0018836100000000 ] - [ 0.0000917100000000, -0.0000315100000000, 0.0018083600000000 ] - [ -0.0001997800000000, 0.0001476300000000, 0.0013775400000000 ] - [ -0.0143656800000000, 0.0000905600000000, -0.0043691700000000 ] - [ -0.0003884800000000, -0.0004503300000000, -0.0008683000000000 ] - [ 0.0009922900000000, 0.0000503300000000, -0.0044148900000000 ] - [ 0.0008522500000000, -0.0013114100000000, -0.0009773700000000 ] - [ -0.0002339700000000, -0.0004698400000000, -0.0010837800000000 ] - [ 0.0004814400000000, -0.0014963200000000, -0.0003086700000000 ] - [ 0.0000282600000000, 0.0091427100000000, -0.0079146400000000 ] - [ -0.0011262900000000, 0.0007699400000000, -0.0008172600000000 ] - [ 0.0003233400000000, 0.0000418500000000, 0.0003877500000000 ] - [ 0.0210582200000000, -0.0005740800000000, -0.0018100000000000 ] - [ -0.0004097000000000, -0.0013507800000000, 0.0025839400000000 ] - [ -0.0001528600000000, -0.0003952400000000, -0.0014988000000000 ] - [ 0.0012142900000000, 0.0000557500000000, 0.0014853200000000 ] - [ 0.0013166900000000, 0.0016295200000000, -0.0010199200000000 ] - [ -0.0001081200000000, -0.0000675000000000, -0.0001536800000000 ] - [ -0.0003084000000000, -0.0017656400000000, 0.0010703500000000 ] - [ -0.0005814000000000, 0.0007612100000000, -0.0021267700000000 ] - [ -0.0005341400000000, 0.0002064100000000, -0.0003606600000000 ] - [ 0.0001736600000000, 0.0007231800000000, -0.0007349600000000 ] - [ 0.0002666000000000, -0.0004811700000000, -0.0009644300000000 ] - [ -0.0279183400000000, 0.0033909000000000, 0.1865553600000000 ] - [ -0.0003517900000000, 0.0003029900000000, 0.0029677700000000 ] - [ 0.0000807100000000, 0.0001336000000000, -0.0005979200000000 ] - [ -0.0003157900000000, -0.0005805000000000, -0.0015903800000000 ] - [ 0.0065865300000000, -0.0009114400000000, 0.0143418600000000 ] - [ -0.0001605000000000, 0.0007479500000000, -0.0006921700000000 ] - [ 0.0007581300000000, 0.0006826200000000, -0.0013041100000000 ] - [ -0.0006781500000000, 0.0003419800000000, -0.0027572000000000 ] - [ 0.0005249700000000, 0.0011076700000000, -0.0006650700000000 ] - [ 0.0376350400000000, 0.0841289200000000, 0.0868491400000000 ] - [ 0.0000045700000000, -0.0008269600000000, 0.0022379500000000 ] - [ -0.0158536700000000, -0.0021553700000000, 0.0369701800000000 ] - [ -0.0005839600000000, 0.0014765200000000, 0.0009590600000000 ] - [ 0.0007341000000000, 0.0001715400000000, -0.0025147200000000 ] - [ 0.0000901800000000, 0.0002610200000000, 0.0022474500000000 ] - [ -0.0010428400000000, 0.0000687300000000, -0.0038051600000000 ] - [ 0.0004629700000000, -0.0010617100000000, -0.0007465000000000 ] - [ 0.0582079600000000, -0.0823473400000000, 0.0908391500000000 ] - [ 0.0004565700000000, -0.0001865700000000, -0.0011233700000000 ] - [ 0.0000374700000000, 0.0002505500000000, -0.0006752900000000 ] - [ -0.0001669800000000, -0.0008001800000000, 0.0024350500000000 ] - [ -0.0006130100000000, -0.0009014500000000, -0.0006838600000000 ] - [ -0.0002856200000000, 0.0000222100000000, -0.0009204900000000 ] - [ -0.0034545000000000, -0.0077403200000000, -0.0095288700000000 ] - [ 0.0005369700000000, 0.0005943000000000, -0.0010306600000000 ] - [ -0.0008029100000000, 0.0006006200000000, 0.0033832100000000 ] - [ -0.0002887000000000, 0.0008417800000000, -0.0012591500000000 ] - [ 0.0002856800000000, -0.0003358800000000, -0.0010549100000000 ] - [ 0.0005739900000000, 0.0016927000000000, -0.0002006400000000 ]- atom: 50 displacement: [ 0.0000185648863736, 0.0000000000000000, -0.0099999827672348 ] forces: - [ -0.0000088500000000, -0.0002884400000000, 0.0003102500000000 ] - [ -0.0002165300000000, -0.0001810500000000, 0.0010094600000000 ] - [ 0.0041057700000000, 0.0004635600000000, -0.0064900800000000 ] - [ 0.0007606100000000, 0.0001864500000000, -0.0022301400000000 ] - [ -0.0088024100000000, -0.0006460100000000, -0.0064508300000000 ] - [ -0.0003203900000000, 0.0004351900000000, -0.0010648100000000 ] - [ 0.0000837500000000, -0.0000698400000000, -0.0007735000000000 ] - [ -0.0011796900000000, 0.0000508600000000, -0.0019144500000000 ] - [ 0.0000413000000000, 0.0001194400000000, -0.0007611400000000 ] - [ 0.0000405300000000, 0.0001229400000000, -0.0006192300000000 ] - [ 0.0000109600000000, 0.0003322900000000, -0.0005380100000000 ] - [ 0.0000373700000000, -0.0000541200000000, -0.0005614700000000 ] - [ -0.0001019000000000, 0.0001353800000000, -0.0004752100000000 ] - [ -0.0002327000000000, 0.0025978600000000, -0.0030577700000000 ] - [ 0.0000170600000000, 0.0000711300000000, -0.0006252900000000 ] - [ -0.0023946300000000, 0.0018007100000000, -0.0001943700000000 ] - [ 0.0001405600000000, -0.0000770600000000, 0.0014083900000000 ] - [ -0.0001062900000000, 0.0001216200000000, -0.0006868700000000 ] - [ -0.0000070900000000, -0.0000450000000000, -0.0004371800000000 ] - [ -0.0000470800000000, 0.0003454500000000, -0.0003561100000000 ] - [ 0.0000180800000000, 0.0002334600000000, -0.0003454100000000 ] - [ -0.0012600400000000, -0.0015541500000000, -0.0000331000000000 ] - [ 0.0010843900000000, -0.0016765200000000, -0.0000531200000000 ] - [ 0.0000115700000000, 0.0002159500000000, -0.0005233400000000 ] - [ 0.0026082000000000, 0.0103204400000000, 0.0019715600000000 ] - [ -0.0001179500000000, -0.0003336700000000, -0.0007414200000000 ] - [ -0.0100978900000000, -0.0044166100000000, -0.0034187400000000 ] - [ 0.0056037600000000, -0.0033233400000000, 0.0048229200000000 ] - [ 0.0001088500000000, 0.0008499300000000, -0.0018472300000000 ] - [ 0.0019171400000000, -0.0086520800000000, 0.0028951900000000 ] - [ -0.0019760700000000, 0.0017925900000000, -0.0000328100000000 ] - [ 0.0001922900000000, -0.0010452500000000, -0.0017720300000000 ] - [ -0.0000241100000000, 0.0002369200000000, -0.0006705200000000 ] - [ 0.0036596200000000, -0.0034031100000000, 0.0017742500000000 ] - [ 0.0031333200000000, 0.0028580600000000, 0.0015160400000000 ] - [ -0.0000281600000000, -0.0000628700000000, -0.0008698000000000 ] - [ 0.0001005500000000, -0.0000118500000000, -0.0006003400000000 ] - [ -0.0000185500000000, 0.0000409200000000, -0.0002795000000000 ] - [ -0.0000301300000000, -0.0001121300000000, -0.0004546400000000 ] - [ 0.0001705000000000, -0.0003233700000000, 0.0011154000000000 ] - [ 0.0001547600000000, 0.0012895700000000, -0.0003860600000000 ] - [ 0.0000734000000000, 0.0002466800000000, -0.0001140000000000 ] - [ -0.0000190400000000, 0.0003030700000000, 0.0005260400000000 ] - [ 0.0011204900000000, 0.0012718200000000, -0.0000365600000000 ] - [ -0.0003409000000000, -0.0024337300000000, -0.0029229400000000 ] - [ -0.0022433100000000, -0.0014638300000000, -0.0000426900000000 ] - [ 0.0000081400000000, 0.0002074800000000, -0.0003904000000000 ] - [ -0.0000943700000000, -0.0000762000000000, -0.0008390700000000 ] - [ 0.0014618900000000, 0.0000263700000000, 0.0020625000000000 ] - [ 0.0392340400000000, 0.0062533800000000, 0.4404394800000000 ] - [ -0.0003673100000000, -0.0002323300000000, 0.0013144800000000 ] - [ -0.0003736000000000, 0.0001685200000000, -0.0022330800000000 ] - [ -0.0004084700000000, 0.0001178900000000, -0.0022777400000000 ] - [ 0.0004853900000000, 0.0003023300000000, -0.0025531000000000 ] - [ -0.0002564900000000, 0.0000002800000000, -0.0016293200000000 ] - [ 0.0207462800000000, 0.0003757100000000, -0.0489278500000000 ] - [ -0.0001405700000000, 0.0001467200000000, -0.0029179100000000 ] - [ 0.0001965000000000, -0.0001618400000000, 0.0008003100000000 ] - [ 0.0113762100000000, -0.0000935100000000, 0.0085444100000000 ] - [ 0.0001908800000000, -0.0005845500000000, 0.0018194800000000 ] - [ -0.0002070700000000, 0.0003819900000000, -0.0015806200000000 ] - [ 0.0004109300000000, 0.0002041900000000, -0.0014656100000000 ] - [ 0.0002566700000000, 0.0000382400000000, -0.0017711900000000 ] - [ 0.0142763400000000, -0.0002300000000000, 0.0050528000000000 ] - [ 0.0002353300000000, 0.0008883800000000, 0.0007390500000000 ] - [ -0.0011020600000000, 0.0001645200000000, 0.0041689600000000 ] - [ -0.0007832300000000, 0.0013362800000000, 0.0007175500000000 ] - [ 0.0004433800000000, 0.0005803100000000, 0.0010709700000000 ] - [ 0.0001031600000000, 0.0008321000000000, -0.0001196900000000 ] - [ -0.0003065100000000, -0.0091587300000000, 0.0072905900000000 ] - [ 0.0006104300000000, -0.0008013700000000, 0.0006940300000000 ] - [ -0.0004310900000000, 0.0001502100000000, 0.0000706700000000 ] - [ -0.0210718500000000, 0.0001283800000000, 0.0021704700000000 ] - [ 0.0003394900000000, 0.0011453300000000, -0.0027099500000000 ] - [ 0.0002106900000000, 0.0006971900000000, 0.0012281900000000 ] - [ -0.0010341000000000, -0.0005122400000000, -0.0017693300000000 ] - [ -0.0009219400000000, -0.0010890800000000, 0.0006940600000000 ] - [ -0.0000027100000000, -0.0001384100000000, 0.0004506600000000 ] - [ 0.0005275100000000, 0.0016301700000000, -0.0010560100000000 ] - [ 0.0005086800000000, -0.0006443700000000, 0.0022670400000000 ] - [ 0.0003802500000000, 0.0002422700000000, 0.0008605200000000 ] - [ -0.0001662000000000, -0.0005583400000000, 0.0010177600000000 ] - [ -0.0003141600000000, 0.0006352900000000, 0.0007108100000000 ] - [ 0.0253043300000000, -0.0030699400000000, -0.1763278700000000 ] - [ 0.0004647200000000, -0.0005161700000000, -0.0027063500000000 ] - [ -0.0000499400000000, 0.0000915800000000, 0.0005838200000000 ] - [ 0.0004874400000000, 0.0006293400000000, 0.0016427300000000 ] - [ -0.0066612000000000, 0.0004813900000000, -0.0143704300000000 ] - [ 0.0001341800000000, -0.0004430000000000, 0.0009869400000000 ] - [ -0.0007365900000000, -0.0002142600000000, 0.0013877300000000 ] - [ 0.0007974800000000, 0.0001017100000000, 0.0028877700000000 ] - [ -0.0007523000000000, -0.0011091700000000, 0.0008175000000000 ] - [ -0.0388778800000000, -0.0862644100000000, -0.0861652400000000 ] - [ 0.0000768600000000, 0.0003213900000000, -0.0024364100000000 ] - [ 0.0158306300000000, 0.0019538000000000, -0.0368043500000000 ] - [ 0.0005477500000000, -0.0018636900000000, -0.0008931100000000 ] - [ -0.0006102100000000, 0.0000513500000000, 0.0027490900000000 ] - [ 0.0000412100000000, -0.0006866700000000, -0.0021136300000000 ] - [ 0.0009025900000000, 0.0003651900000000, 0.0037068800000000 ] - [ -0.0004379300000000, 0.0008807900000000, 0.0005974600000000 ] - [ -0.0597213100000000, 0.0845188900000000, -0.0905684200000000 ] - [ -0.0003840600000000, 0.0008859400000000, 0.0015402200000000 ] - [ 0.0001309500000000, 0.0002019700000000, 0.0001722600000000 ] - [ 0.0002529800000000, 0.0007043700000000, -0.0022978500000000 ] - [ 0.0005058700000000, 0.0011148600000000, 0.0003689300000000 ] - [ 0.0004165200000000, -0.0011160400000000, 0.0006632500000000 ] - [ 0.0027922200000000, 0.0073522200000000, 0.0090740300000000 ] - [ -0.0002242600000000, -0.0006454600000000, 0.0013649500000000 ] - [ 0.0006435800000000, -0.0008674700000000, -0.0031291300000000 ] - [ 0.0002077200000000, -0.0006533500000000, 0.0016098600000000 ] - [ -0.0004360400000000, 0.0007723800000000, 0.0010889300000000 ] - [ -0.0002868600000000, -0.0016183700000000, -0.0003422800000000 ]- atom: 52 displacement: [ 0.0099999995909515, 0.0000000000000000, -0.0000028602394792 ] forces: - [ 0.0000271200000000, 0.0001278800000000, 0.0002433200000000 ] - [ -0.0002638400000000, -0.0002940400000000, -0.0000264800000000 ] - [ -0.0004669800000000, 0.0003465700000000, 0.0002028600000000 ] - [ 0.0115231900000000, 0.0009831400000000, -0.0092350600000000 ] - [ 0.0003974300000000, -0.0000997100000000, 0.0001492800000000 ] - [ -0.0000702900000000, 0.0000653500000000, 0.0006715900000000 ] - [ 0.0000799000000000, -0.0003117900000000, 0.0005942500000000 ] - [ -0.0003082300000000, -0.0004274000000000, 0.0052224800000000 ] - [ -0.0010798300000000, 0.0099114700000000, 0.0028675900000000 ] - [ -0.0014971500000000, -0.0092497800000000, 0.0028166900000000 ] - [ 0.0008814900000000, 0.0018309000000000, -0.0015198100000000 ] - [ 0.0007174800000000, -0.0014506700000000, -0.0014055100000000 ] - [ -0.0010206200000000, 0.0000706800000000, -0.0004135400000000 ] - [ 0.0000865500000000, -0.0001481500000000, -0.0000641500000000 ] - [ -0.0021952800000000, 0.0041596600000000, 0.0028000500000000 ] - [ -0.0000625800000000, 0.0001165500000000, -0.0000324100000000 ] - [ 0.0000718400000000, -0.0001006300000000, -0.0000513800000000 ] - [ 0.0002795600000000, -0.0009194800000000, -0.0024849600000000 ] - [ -0.0007451000000000, -0.0000568700000000, -0.0001317500000000 ] - [ 0.0004704000000000, 0.0005323400000000, 0.0000501400000000 ] - [ 0.0130108100000000, -0.0032579300000000, 0.0055321700000000 ] - [ -0.0001723800000000, -0.0002529900000000, 0.0001288700000000 ] - [ 0.0000635700000000, -0.0000080500000000, 0.0000193900000000 ] - [ 0.0000853900000000, 0.0033086100000000, -0.0101965000000000 ] - [ -0.0000018100000000, 0.0000573200000000, 0.0000554100000000 ] - [ 0.0004381200000000, 0.0006213500000000, -0.0021963000000000 ] - [ -0.0000779500000000, -0.0002106600000000, 0.0001057700000000 ] - [ 0.0000464600000000, -0.0001654900000000, 0.0002904900000000 ] - [ 0.0004040300000000, 0.0008808000000000, 0.0019729900000000 ] - [ -0.0000046200000000, -0.0003171600000000, 0.0000181900000000 ] - [ -0.0001959400000000, 0.0001710300000000, 0.0002039000000000 ] - [ 0.0003052900000000, -0.0007194600000000, 0.0018524200000000 ] - [ 0.0000918300000000, 0.0000553400000000, -0.0003968500000000 ] - [ 0.0000315900000000, -0.0001587900000000, 0.0001264300000000 ] - [ 0.0000003700000000, -0.0000851300000000, 0.0000415600000000 ] - [ 0.0038753600000000, 0.0013002000000000, -0.0002416100000000 ] - [ -0.0003839800000000, -0.0019101000000000, 0.0015426000000000 ] - [ -0.0000601900000000, -0.0002178700000000, 0.0003438200000000 ] - [ 0.0005413900000000, -0.0002602000000000, 0.0000078200000000 ] - [ 0.0001449300000000, -0.0000229200000000, -0.0000270600000000 ] - [ -0.0000498400000000, -0.0000480500000000, -0.0001822500000000 ] - [ -0.0000481000000000, 0.0003426700000000, 0.0003227700000000 ] - [ 0.0000330700000000, -0.0001786100000000, -0.0000615300000000 ] - [ 0.0001256800000000, -0.0002764000000000, -0.0000247600000000 ] - [ 0.0000966700000000, 0.0001670900000000, -0.0000974400000000 ] - [ -0.0000206500000000, -0.0000629600000000, -0.0000313600000000 ] - [ -0.0000721400000000, 0.0005747800000000, -0.0000297800000000 ] - [ 0.0041427800000000, -0.0012543000000000, -0.0002237500000000 ] - [ 0.0002306600000000, -0.0001170500000000, 0.0001725200000000 ] - [ 0.0001073000000000, -0.0001278500000000, 0.0004860200000000 ] - [ 0.0001830100000000, -0.0002596100000000, -0.0003556700000000 ] - [ -0.4496756200000000, 0.0047871400000000, 0.0463904100000000 ] - [ 0.0179983700000000, 0.0013048200000000, 0.0200655100000000 ] - [ 0.0590965100000000, -0.0015172200000000, -0.0140056500000000 ] - [ -0.0002163200000000, 0.0000208100000000, -0.0002507700000000 ] - [ 0.0000789600000000, -0.0001281700000000, 0.0003763900000000 ] - [ 0.0109091400000000, -0.0000485400000000, -0.0115249100000000 ] - [ 0.0007297200000000, -0.0000575800000000, -0.0004729600000000 ] - [ 0.0005142000000000, 0.0000764900000000, -0.0001314400000000 ] - [ -0.0001416700000000, -0.0002217300000000, 0.0000862400000000 ] - [ 0.0011343900000000, 0.0008165400000000, -0.0007014800000000 ] - [ 0.0008613700000000, 0.0001302700000000, 0.0000312000000000 ] - [ -0.0001845700000000, 0.0000984200000000, -0.0006427700000000 ] - [ -0.0001966200000000, -0.0000438700000000, 0.0004442800000000 ] - [ 0.0016439900000000, -0.0001684800000000, 0.0001974000000000 ] - [ -0.0095662900000000, 0.0006177500000000, 0.0221381900000000 ] - [ 0.0000330400000000, 0.0001617000000000, 0.0000016300000000 ] - [ -0.0014965400000000, -0.0001625600000000, -0.0003310000000000 ] - [ 0.0005234600000000, -0.0000170500000000, 0.0001487200000000 ] - [ -0.0001122300000000, -0.0000670900000000, -0.0005725600000000 ] - [ -0.0002559800000000, -0.0000149500000000, 0.0000673500000000 ] - [ 0.0001079400000000, 0.0000506100000000, 0.0001082500000000 ] - [ -0.0005647400000000, -0.0002339300000000, 0.0002570900000000 ] - [ -0.0000324700000000, -0.0001103500000000, -0.0001259100000000 ] - [ -0.0000891900000000, 0.0010826100000000, 0.0010528600000000 ] - [ 0.0001193300000000, -0.0002421300000000, -0.0002924400000000 ] - [ 0.0001040000000000, 0.0001211500000000, 0.0000042700000000 ] - [ -0.0005228600000000, 0.0001719200000000, 0.0006263600000000 ] - [ 0.0001373000000000, -0.0000621800000000, -0.0001944800000000 ] - [ 0.0001537300000000, -0.0008854500000000, 0.0019467000000000 ] - [ -0.0173369100000000, 0.0002443500000000, 0.0003005500000000 ] - [ 0.0018981500000000, -0.0027170000000000, 0.0013096400000000 ] - [ -0.0002672800000000, -0.0019025800000000, -0.0025285300000000 ] - [ 0.0000867500000000, -0.0000759700000000, -0.0006875100000000 ] - [ 0.0000825200000000, -0.0000936700000000, -0.0000024600000000 ] - [ 0.1770274600000000, 0.0051078700000000, 0.0193868200000000 ] - [ -0.0110216100000000, -0.0101051800000000, -0.0033272400000000 ] - [ -0.0001461900000000, -0.0002380800000000, -0.0002625200000000 ] - [ -0.0018356500000000, 0.0004494100000000, 0.0001101500000000 ] - [ -0.0001304900000000, 0.0024692200000000, -0.0040907600000000 ] - [ 0.0004369100000000, 0.0001488800000000, 0.0009765700000000 ] - [ -0.0011741200000000, -0.0002904400000000, -0.0003571400000000 ] - [ -0.0000505100000000, -0.0001404900000000, 0.0000495600000000 ] - [ 0.0000414200000000, -0.0002746900000000, -0.0001074700000000 ] - [ 0.0002873900000000, -0.0000913500000000, -0.0003147300000000 ] - [ 0.0000044200000000, -0.0002202700000000, -0.0001482600000000 ] - [ -0.0000397100000000, 0.0001013500000000, 0.0002673300000000 ] - [ -0.0000003400000000, -0.0002343200000000, 0.0001273800000000 ] - [ 0.0386632300000000, -0.0031096500000000, 0.0276447200000000 ] - [ -0.0009598700000000, 0.0001030900000000, -0.0004736700000000 ] - [ 0.0000290700000000, 0.0000219700000000, -0.0001673800000000 ] - [ 0.0865374800000000, -0.0791173600000000, -0.0563067300000000 ] - [ -0.0013408500000000, 0.0004104000000000, -0.0001311400000000 ] - [ 0.0000490000000000, -0.0000188000000000, 0.0000684500000000 ] - [ -0.0001500400000000, 0.0002416000000000, -0.0001386200000000 ] - [ 0.0019394900000000, -0.0003979800000000, -0.0000230900000000 ] - [ -0.0002040700000000, -0.0002396300000000, -0.0005426500000000 ] - [ 0.0732157900000000, 0.0707254700000000, -0.0424340200000000 ] - [ -0.0000602400000000, -0.0001066900000000, 0.0000827600000000 ] - [ -0.0083178900000000, 0.0106826400000000, -0.0022678400000000 ] - [ 0.0017404600000000, 0.0008884100000000, -0.0003927300000000 ] - [ 0.0002101300000000, -0.0003331400000000, 0.0002725400000000 ]- atom: 52 displacement: [ -0.0099999995909515, 0.0000000000000000, 0.0000028602394792 ] forces: - [ -0.0000056400000000, 0.0001249700000000, 0.0002002800000000 ] - [ -0.0002567600000000, -0.0002985600000000, -0.0001058200000000 ] - [ 0.0009970800000000, 0.0002471100000000, -0.0000746900000000 ] - [ -0.0114659400000000, -0.0007223200000000, 0.0086441300000000 ] - [ -0.0004217900000000, -0.0001517500000000, -0.0005890900000000 ] - [ -0.0004610900000000, 0.0005176800000000, -0.0008468900000000 ] - [ -0.0000533000000000, 0.0000656700000000, -0.0001559600000000 ] - [ 0.0008578800000000, -0.0001735900000000, -0.0051157700000000 ] - [ 0.0011353800000000, -0.0098759100000000, -0.0028910700000000 ] - [ 0.0016370700000000, 0.0097174000000000, -0.0026716400000000 ] - [ -0.0008913500000000, -0.0012936100000000, 0.0014599100000000 ] - [ -0.0007229000000000, 0.0014373200000000, 0.0013921800000000 ] - [ 0.0007729700000000, -0.0000171900000000, 0.0005306900000000 ] - [ 0.0000889000000000, -0.0000430600000000, 0.0002348100000000 ] - [ 0.0022735700000000, -0.0040133300000000, -0.0030049700000000 ] - [ -0.0001135200000000, 0.0000789800000000, -0.0001360100000000 ] - [ 0.0000470700000000, -0.0000663100000000, -0.0001123100000000 ] - [ -0.0003486200000000, 0.0006749400000000, 0.0024749200000000 ] - [ 0.0006294600000000, 0.0002171300000000, 0.0002962900000000 ] - [ -0.0004739800000000, 0.0000336200000000, 0.0000220400000000 ] - [ -0.0128287800000000, 0.0035224900000000, -0.0049357900000000 ] - [ 0.0000577400000000, 0.0000808400000000, 0.0000456800000000 ] - [ -0.0000618900000000, 0.0000458800000000, 0.0000040100000000 ] - [ -0.0001302500000000, -0.0029877900000000, 0.0103415100000000 ] - [ 0.0000021500000000, -0.0000233100000000, -0.0000786500000000 ] - [ -0.0005918800000000, -0.0008913700000000, 0.0020295000000000 ] - [ 0.0000458900000000, -0.0001664800000000, -0.0000914000000000 ] - [ -0.0000252000000000, -0.0001707900000000, 0.0001792400000000 ] - [ -0.0002124000000000, -0.0006910400000000, -0.0018302300000000 ] - [ 0.0000035500000000, -0.0002424900000000, -0.0000911400000000 ] - [ -0.0000597800000000, -0.0002135900000000, -0.0000729100000000 ] - [ -0.0002010300000000, 0.0006514000000000, -0.0016846900000000 ] - [ -0.0001131400000000, 0.0002846400000000, -0.0000734800000000 ] - [ 0.0000889300000000, -0.0001261600000000, 0.0000649800000000 ] - [ 0.0000388000000000, -0.0001324400000000, -0.0000241900000000 ] - [ -0.0040120900000000, -0.0011599700000000, 0.0000623500000000 ] - [ 0.0006356100000000, 0.0019531500000000, -0.0017010700000000 ] - [ -0.0000588000000000, 0.0005008800000000, -0.0005360100000000 ] - [ -0.0005418200000000, 0.0002199600000000, 0.0000128000000000 ] - [ 0.0001127000000000, -0.0000250700000000, -0.0000900000000000 ] - [ 0.0000316800000000, -0.0002872900000000, -0.0002840000000000 ] - [ 0.0000112400000000, -0.0001219000000000, -0.0003435200000000 ] - [ 0.0000001700000000, -0.0001966700000000, 0.0000557900000000 ] - [ -0.0001253600000000, -0.0002872400000000, 0.0000991900000000 ] - [ 0.0000003600000000, -0.0000929200000000, 0.0002852600000000 ] - [ -0.0000766500000000, -0.0000144100000000, -0.0001530400000000 ] - [ 0.0001056600000000, -0.0002009000000000, 0.0000115400000000 ] - [ -0.0043686700000000, 0.0009952100000000, 0.0000568300000000 ] - [ 0.0002176000000000, -0.0001107900000000, 0.0001015400000000 ] - [ 0.0004722700000000, -0.0000966700000000, -0.0001392000000000 ] - [ -0.0007911200000000, 0.0000430800000000, 0.0000262100000000 ] - [ 0.4630547800000000, -0.0033922500000000, -0.0435277600000000 ] - [ -0.0178919500000000, -0.0009271900000000, -0.0202084900000000 ] - [ -0.0591055200000000, 0.0018080200000000, 0.0143715900000000 ] - [ -0.0003607700000000, 0.0002035200000000, -0.0000993800000000 ] - [ -0.0005299000000000, -0.0001095800000000, -0.0006471200000000 ] - [ -0.0113971700000000, 0.0002960100000000, 0.0113567200000000 ] - [ -0.0006144100000000, -0.0001329300000000, 0.0000475300000000 ] - [ -0.0003315100000000, -0.0005023400000000, -0.0001320100000000 ] - [ -0.0000516700000000, -0.0001866900000000, 0.0001952400000000 ] - [ -0.0013489500000000, -0.0004326700000000, 0.0009812400000000 ] - [ -0.0004101400000000, 0.0000821200000000, 0.0002485600000000 ] - [ 0.0003305300000000, 0.0000925400000000, 0.0001635300000000 ] - [ 0.0000547400000000, -0.0001455600000000, 0.0000376200000000 ] - [ -0.0018897000000000, 0.0002297500000000, -0.0002978900000000 ] - [ 0.0095177000000000, -0.0004054300000000, -0.0224564500000000 ] - [ -0.0002429500000000, -0.0002021000000000, -0.0000765700000000 ] - [ 0.0015800300000000, 0.0003601300000000, 0.0002186500000000 ] - [ -0.0005536300000000, -0.0005070300000000, -0.0000029100000000 ] - [ 0.0001906700000000, -0.0001618300000000, 0.0002967100000000 ] - [ 0.0000298100000000, 0.0000422500000000, 0.0000692700000000 ] - [ -0.0002144700000000, 0.0001488700000000, 0.0003457300000000 ] - [ 0.0004195700000000, -0.0002095600000000, 0.0002667300000000 ] - [ 0.0000351000000000, -0.0000966000000000, -0.0000316500000000 ] - [ 0.0001717800000000, -0.0008744500000000, -0.0013451100000000 ] - [ 0.0000293200000000, -0.0002028500000000, -0.0002264200000000 ] - [ -0.0000652800000000, 0.0004103800000000, -0.0001058800000000 ] - [ 0.0004484200000000, -0.0003750600000000, -0.0002319100000000 ] - [ 0.0000729800000000, 0.0001049500000000, 0.0002639100000000 ] - [ -0.0001615100000000, 0.0011014000000000, -0.0018114600000000 ] - [ 0.0172783400000000, 0.0001910600000000, 0.0001321400000000 ] - [ -0.0018819900000000, 0.0028697700000000, -0.0010921600000000 ] - [ 0.0001722700000000, 0.0020269600000000, 0.0023328300000000 ] - [ -0.0002173200000000, -0.0001347400000000, 0.0004971900000000 ] - [ 0.0000510500000000, -0.0001177100000000, 0.0001906100000000 ] - [ -0.1883009100000000, -0.0052716400000000, -0.0205221600000000 ] - [ 0.0112788200000000, 0.0101650400000000, 0.0032089700000000 ] - [ 0.0000174300000000, -0.0002029400000000, 0.0001876900000000 ] - [ 0.0017974000000000, -0.0002069400000000, 0.0001730600000000 ] - [ 0.0000561400000000, -0.0019514300000000, 0.0042858900000000 ] - [ -0.0003091400000000, 0.0002959500000000, -0.0009120200000000 ] - [ 0.0009610300000000, 0.0002796500000000, 0.0004993400000000 ] - [ 0.0000409300000000, -0.0000325100000000, 0.0001421700000000 ] - [ 0.0000013900000000, -0.0002430900000000, -0.0000674000000000 ] - [ -0.0001826500000000, -0.0001061400000000, -0.0001408200000000 ] - [ -0.0000436400000000, -0.0003119400000000, 0.0002460900000000 ] - [ 0.0001712100000000, 0.0001108600000000, -0.0000799700000000 ] - [ 0.0001255400000000, -0.0002088200000000, -0.0000801400000000 ] - [ -0.0392113400000000, 0.0035436700000000, -0.0270115500000000 ] - [ 0.0009946700000000, -0.0003048200000000, 0.0002863400000000 ] - [ 0.0001987800000000, -0.0000478300000000, 0.0000254400000000 ] - [ -0.0869785900000000, 0.0774528100000000, 0.0549370600000000 ] - [ 0.0015022300000000, 0.0000345300000000, -0.0003860000000000 ] - [ 0.0000172300000000, -0.0000916600000000, 0.0001347700000000 ] - [ 0.0001614900000000, -0.0000669100000000, -0.0000579500000000 ] - [ -0.0019297500000000, -0.0001490300000000, -0.0001030400000000 ] - [ 0.0001831400000000, 0.0000414600000000, 0.0006885800000000 ] - [ -0.0738237800000000, -0.0692821900000000, 0.0415576100000000 ] - [ -0.0000258700000000, -0.0001272900000000, 0.0001888700000000 ] - [ 0.0083305300000000, -0.0105586900000000, 0.0024885800000000 ] - [ -0.0017808400000000, -0.0003711300000000, 0.0002876300000000 ] - [ -0.0002696800000000, 0.0002424100000000, -0.0004977900000000 ]- atom: 52 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000188100000000, 0.0001122500000000, 0.0001654800000000 ] - [ -0.0002637200000000, -0.0003079500000000, -0.0001146000000000 ] - [ 0.0003286400000000, 0.0001441400000000, -0.0001054500000000 ] - [ 0.0012948100000000, -0.0037430600000000, -0.0007875400000000 ] - [ -0.0000492900000000, -0.0001799500000000, -0.0003564500000000 ] - [ -0.0002515100000000, 0.0053304400000000, -0.0006250200000000 ] - [ -0.0000171900000000, 0.0003565400000000, 0.0002605500000000 ] - [ 0.0002523800000000, -0.0029740500000000, 0.0004085800000000 ] - [ 0.0118082800000000, 0.0099442000000000, 0.0018999700000000 ] - [ -0.0110488300000000, 0.0094427200000000, -0.0015659600000000 ] - [ 0.0000046100000000, 0.0002567400000000, -0.0000690200000000 ] - [ 0.0001680200000000, -0.0000909900000000, 0.0002288000000000 ] - [ -0.0003947700000000, -0.0000293000000000, 0.0003260400000000 ] - [ 0.0001063900000000, -0.0001183200000000, 0.0000389100000000 ] - [ 0.0038759100000000, 0.0145970600000000, 0.0139886800000000 ] - [ -0.0000840900000000, 0.0000913000000000, -0.0001163800000000 ] - [ 0.0000478700000000, -0.0000542100000000, -0.0000540900000000 ] - [ 0.0002897300000000, 0.0026182500000000, 0.0042092200000000 ] - [ 0.0001544200000000, 0.0002471600000000, -0.0001402600000000 ] - [ 0.0001432400000000, 0.0002161100000000, 0.0000879800000000 ] - [ -0.0043353000000000, -0.0023559300000000, -0.0027800000000000 ] - [ -0.0002012600000000, -0.0001050200000000, -0.0001819200000000 ] - [ 0.0001275800000000, -0.0000867200000000, -0.0000902300000000 ] - [ 0.0027402300000000, -0.0009203600000000, -0.0032039900000000 ] - [ -0.0000005300000000, 0.0000227300000000, -0.0000465600000000 ] - [ -0.0000904800000000, 0.0029611900000000, -0.0048241800000000 ] - [ -0.0000612200000000, -0.0002063600000000, -0.0000304000000000 ] - [ 0.0000145100000000, -0.0001645800000000, 0.0002052900000000 ] - [ 0.0001829600000000, -0.0001098900000000, 0.0002996900000000 ] - [ -0.0000019000000000, -0.0002973100000000, -0.0000512500000000 ] - [ -0.0000570800000000, -0.0000162600000000, 0.0001129300000000 ] - [ -0.0001912500000000, -0.0002878100000000, -0.0000491400000000 ] - [ -0.0000009500000000, 0.0001335900000000, -0.0002395900000000 ] - [ 0.0000577400000000, -0.0001295900000000, 0.0000554300000000 ] - [ 0.0000138600000000, -0.0001129700000000, -0.0000398300000000 ] - [ 0.0047507500000000, 0.0032982900000000, -0.0003255900000000 ] - [ -0.0009744500000000, 0.0035692400000000, -0.0059656900000000 ] - [ -0.0000849700000000, 0.0002724500000000, -0.0003136900000000 ] - [ -0.0000803200000000, 0.0000567100000000, -0.0000464400000000 ] - [ 0.0001421400000000, -0.0000079500000000, -0.0001205400000000 ] - [ -0.0000092200000000, -0.0000767900000000, -0.0001929800000000 ] - [ -0.0000368000000000, 0.0001171500000000, 0.0000691100000000 ] - [ 0.0000249400000000, -0.0001161300000000, 0.0000112400000000 ] - [ -0.0002013600000000, -0.0003072000000000, 0.0002244000000000 ] - [ 0.0000595300000000, 0.0000710200000000, 0.0000240800000000 ] - [ -0.0000449400000000, -0.0000287000000000, -0.0001352500000000 ] - [ 0.0000340600000000, 0.0006049200000000, 0.0002930900000000 ] - [ -0.0041958700000000, 0.0029527800000000, 0.0000706500000000 ] - [ 0.0001888700000000, -0.0000714000000000, 0.0000064200000000 ] - [ 0.0002817100000000, -0.0001125700000000, 0.0000695600000000 ] - [ -0.0003229000000000, 0.0025900900000000, -0.0002422700000000 ] - [ -0.0004631200000000, -0.5435842700000000, -0.0029194800000000 ] - [ 0.0007194100000000, 0.0083899400000000, 0.0018486500000000 ] - [ -0.0007708100000000, 0.0068679100000000, -0.0000148500000000 ] - [ -0.0003384200000000, 0.0003234000000000, -0.0000710400000000 ] - [ 0.0000040000000000, 0.0005875000000000, -0.0003863000000000 ] - [ -0.0004408000000000, -0.0001974300000000, -0.0001408900000000 ] - [ 0.0001165900000000, 0.0028567600000000, -0.0002287000000000 ] - [ 0.0003329200000000, -0.0019552100000000, -0.0003175300000000 ] - [ -0.0000568500000000, -0.0001234900000000, -0.0000275200000000 ] - [ -0.0008385300000000, 0.0041269400000000, 0.0004929500000000 ] - [ 0.0005310900000000, 0.0028545300000000, 0.0005633800000000 ] - [ 0.0000660600000000, 0.0003783000000000, -0.0001836500000000 ] - [ -0.0001194300000000, -0.0001849900000000, 0.0000822600000000 ] - [ 0.0008955800000000, -0.0035327400000000, 0.0022963200000000 ] - [ 0.0000077400000000, 0.0001423700000000, -0.0001306900000000 ] - [ -0.0001134100000000, -0.0002310400000000, 0.0000085500000000 ] - [ -0.0018895200000000, -0.0036363600000000, -0.0024224600000000 ] - [ -0.0002567500000000, 0.0009291600000000, 0.0018226000000000 ] - [ 0.0001156300000000, -0.0002093200000000, 0.0002310800000000 ] - [ -0.0001152500000000, -0.0000519000000000, 0.0001254000000000 ] - [ -0.0000068400000000, 0.0000100000000000, 0.0002309300000000 ] - [ -0.0001869600000000, -0.0003421400000000, 0.0003938600000000 ] - [ 0.0000500300000000, -0.0001883100000000, 0.0000026000000000 ] - [ 0.0000835900000000, 0.0003908700000000, -0.0000903400000000 ] - [ 0.0000846800000000, -0.0002239900000000, -0.0002370800000000 ] - [ 0.0000098500000000, 0.0001990200000000, 0.0000171900000000 ] - [ -0.0000426700000000, -0.0007348900000000, -0.0000187400000000 ] - [ 0.0000974100000000, 0.0001070500000000, 0.0001740700000000 ] - [ -0.0001166400000000, 0.0001186400000000, 0.0002016400000000 ] - [ 0.0006584500000000, 0.0000428600000000, -0.0002481100000000 ] - [ -0.0026967200000000, -0.0043722000000000, 0.0027623500000000 ] - [ 0.0007229100000000, -0.0011326200000000, 0.0006765600000000 ] - [ -0.0000994800000000, -0.0001435200000000, 0.0000370600000000 ] - [ 0.0000732500000000, -0.0001543500000000, 0.0003186900000000 ] - [ 0.0058071800000000, 0.0356745900000000, 0.0007107400000000 ] - [ 0.0040850000000000, -0.0000058200000000, -0.0014583600000000 ] - [ 0.0000032200000000, -0.0001149000000000, 0.0002339900000000 ] - [ 0.0017904200000000, -0.0027790500000000, 0.0025490900000000 ] - [ -0.0012992200000000, -0.0011906600000000, -0.0006377500000000 ] - [ 0.0000075900000000, 0.0002469800000000, 0.0000064700000000 ] - [ 0.0001766900000000, -0.0023040600000000, -0.0015290700000000 ] - [ 0.0000059900000000, -0.0000740100000000, 0.0001482100000000 ] - [ -0.0000510900000000, -0.0003834000000000, 0.0000063800000000 ] - [ 0.0000742100000000, -0.0000985200000000, -0.0001814400000000 ] - [ -0.0000246800000000, -0.0002497800000000, 0.0000754000000000 ] - [ 0.0001793000000000, 0.0001347800000000, -0.0000998600000000 ] - [ 0.0000904500000000, -0.0002209700000000, 0.0003277800000000 ] - [ -0.0023575300000000, 0.0362832500000000, -0.0025292600000000 ] - [ -0.0010767300000000, -0.0026193700000000, 0.0019698700000000 ] - [ 0.0001297900000000, -0.0000453500000000, 0.0000110100000000 ] - [ -0.0757634100000000, 0.1976780900000000, 0.0936009400000000 ] - [ 0.0000526400000000, 0.0002012000000000, -0.0002170200000000 ] - [ 0.0000328600000000, -0.0000693000000000, 0.0001456200000000 ] - [ 0.0000056600000000, -0.0001081300000000, -0.0000770400000000 ] - [ -0.0005665600000000, -0.0030992700000000, -0.0022514300000000 ] - [ -0.0003179500000000, -0.0001205900000000, -0.0003653900000000 ] - [ 0.0693194900000000, 0.2326337800000000, -0.0923687200000000 ] - [ -0.0000410400000000, -0.0001134100000000, 0.0001655200000000 ] - [ -0.0033471200000000, 0.0004486900000000, 0.0013455600000000 ] - [ 0.0028259900000000, -0.0048889100000000, -0.0030948100000000 ] - [ 0.0001300200000000, 0.0008619500000000, -0.0015770000000000 ]- atom: 52 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000040600000000, 0.0001376600000000, 0.0002632700000000 ] - [ -0.0002588400000000, -0.0002857600000000, -0.0000289900000000 ] - [ 0.0001943300000000, 0.0004440000000000, 0.0002200800000000 ] - [ -0.0012522100000000, 0.0039919800000000, 0.0003210900000000 ] - [ 0.0000257500000000, -0.0000718500000000, -0.0001037400000000 ] - [ -0.0002774500000000, -0.0047359000000000, 0.0005142100000000 ] - [ 0.0000375600000000, -0.0006085500000000, 0.0001853000000000 ] - [ 0.0002485900000000, 0.0023766800000000, -0.0002654000000000 ] - [ -0.0119991200000000, -0.0098530400000000, -0.0018992800000000 ] - [ 0.0109409100000000, -0.0090363500000000, 0.0017399900000000 ] - [ -0.0000061300000000, 0.0003339600000000, -0.0000048900000000 ] - [ -0.0001639300000000, 0.0000298000000000, -0.0002477100000000 ] - [ 0.0001409300000000, 0.0000554300000000, -0.0002054200000000 ] - [ 0.0000700800000000, -0.0000831200000000, 0.0001205200000000 ] - [ -0.0037115900000000, -0.0142360900000000, -0.0138462700000000 ] - [ -0.0000917400000000, 0.0001001100000000, -0.0000609000000000 ] - [ 0.0000675300000000, -0.0001120800000000, -0.0001164800000000 ] - [ -0.0003316500000000, -0.0028494400000000, -0.0043218300000000 ] - [ -0.0002628300000000, -0.0000567400000000, 0.0003105800000000 ] - [ -0.0001453500000000, 0.0003249500000000, -0.0000098500000000 ] - [ 0.0043738000000000, 0.0027586300000000, 0.0032867200000000 ] - [ 0.0000850800000000, -0.0000730300000000, 0.0003439000000000 ] - [ -0.0001283000000000, 0.0001122100000000, 0.0001132300000000 ] - [ -0.0027517100000000, 0.0013465800000000, 0.0031927700000000 ] - [ 0.0000025500000000, 0.0000152300000000, 0.0000164600000000 ] - [ -0.0000261200000000, -0.0032317000000000, 0.0045315200000000 ] - [ 0.0000265900000000, -0.0001683700000000, 0.0000386200000000 ] - [ 0.0000077900000000, -0.0001683600000000, 0.0002579800000000 ] - [ -0.0000063300000000, 0.0003271400000000, -0.0001221300000000 ] - [ 0.0000005300000000, -0.0002703100000000, -0.0000292300000000 ] - [ -0.0002019300000000, -0.0000294500000000, 0.0000039600000000 ] - [ 0.0002866700000000, 0.0001844200000000, 0.0002504500000000 ] - [ -0.0000215400000000, 0.0001865400000000, -0.0002251900000000 ] - [ 0.0000615700000000, -0.0001524600000000, 0.0001283400000000 ] - [ 0.0000228200000000, -0.0001085900000000, 0.0000442100000000 ] - [ -0.0047248400000000, -0.0031958700000000, 0.0001332800000000 ] - [ 0.0012296300000000, -0.0035303200000000, 0.0059591800000000 ] - [ -0.0000375300000000, 0.0000239500000000, 0.0001114000000000 ] - [ 0.0000750800000000, -0.0000666300000000, 0.0000751900000000 ] - [ 0.0001157000000000, -0.0000494500000000, -0.0000057700000000 ] - [ -0.0000131600000000, -0.0002496100000000, -0.0002824300000000 ] - [ 0.0000006800000000, 0.0000908000000000, -0.0000942200000000 ] - [ 0.0000084400000000, -0.0002546100000000, -0.0000283900000000 ] - [ 0.0002052200000000, -0.0002493800000000, -0.0001513700000000 ] - [ 0.0000383700000000, 0.0000207000000000, 0.0001587900000000 ] - [ -0.0000517300000000, -0.0000510500000000, -0.0000647500000000 ] - [ 0.0000000300000000, -0.0002439800000000, -0.0002895500000000 ] - [ 0.0041280300000000, -0.0031656600000000, -0.0002389700000000 ] - [ 0.0002618200000000, -0.0001664000000000, 0.0002351800000000 ] - [ 0.0002934700000000, -0.0001115200000000, 0.0002558700000000 ] - [ -0.0002511400000000, -0.0028022200000000, -0.0001345400000000 ] - [ -0.0086263300000000, 0.5409122900000000, 0.0147925800000000 ] - [ -0.0004875600000000, -0.0079947700000000, -0.0021820500000000 ] - [ 0.0015202900000000, -0.0066782000000000, 0.0002745000000000 ] - [ -0.0002403500000000, -0.0000945800000000, -0.0002398400000000 ] - [ -0.0004458800000000, -0.0008172800000000, 0.0001162400000000 ] - [ -0.0000236200000000, 0.0004140900000000, -0.0001913100000000 ] - [ 0.0000347000000000, -0.0030362100000000, -0.0002842400000000 ] - [ -0.0001362200000000, 0.0015463700000000, 0.0000330700000000 ] - [ -0.0001331900000000, -0.0002988000000000, 0.0002626900000000 ] - [ 0.0006599800000000, -0.0037089200000000, -0.0002042500000000 ] - [ -0.0000923500000000, -0.0026171500000000, -0.0002681200000000 ] - [ 0.0000827100000000, -0.0001827900000000, -0.0002589300000000 ] - [ -0.0000239600000000, -0.0000095300000000, 0.0003678900000000 ] - [ -0.0010672200000000, 0.0035538700000000, -0.0023292400000000 ] - [ -0.0001667000000000, 0.0000611100000000, 0.0000505100000000 ] - [ -0.0000872200000000, 0.0001647100000000, -0.0000711800000000 ] - [ 0.0018452700000000, 0.0038277200000000, 0.0022087400000000 ] - [ 0.0002166300000000, -0.0014398000000000, -0.0016333900000000 ] - [ -0.0000329700000000, -0.0000365600000000, -0.0004976300000000 ] - [ -0.0001216400000000, 0.0000953500000000, 0.0000203100000000 ] - [ -0.0001003200000000, 0.0001864800000000, 0.0002336700000000 ] - [ 0.0000206100000000, -0.0000989300000000, 0.0001244000000000 ] - [ -0.0000474900000000, -0.0000382700000000, -0.0001516700000000 ] - [ 0.0000051000000000, -0.0001057500000000, -0.0001612900000000 ] - [ 0.0000709000000000, -0.0002186600000000, -0.0002828300000000 ] - [ 0.0000331200000000, 0.0003478800000000, -0.0001079400000000 ] - [ -0.0000749900000000, 0.0005423200000000, 0.0004968200000000 ] - [ 0.0001010800000000, -0.0000569400000000, -0.0000938900000000 ] - [ 0.0001258300000000, 0.0000493800000000, -0.0000119000000000 ] - [ -0.0007176000000000, 0.0003923000000000, 0.0007860400000000 ] - [ 0.0027721000000000, 0.0044517400000000, -0.0025994900000000 ] - [ -0.0008087700000000, 0.0013618000000000, -0.0008672800000000 ] - [ -0.0000381100000000, -0.0000587200000000, -0.0002086400000000 ] - [ 0.0000484200000000, -0.0000491000000000, -0.0000796400000000 ] - [ -0.0058328900000000, -0.0353220200000000, -0.0015121700000000 ] - [ -0.0039104400000000, -0.0000731100000000, 0.0012800300000000 ] - [ -0.0001251000000000, -0.0003244200000000, -0.0002729100000000 ] - [ -0.0019004300000000, 0.0030045400000000, -0.0023250200000000 ] - [ 0.0012184900000000, 0.0016075900000000, 0.0008453800000000 ] - [ 0.0001052600000000, 0.0001981900000000, 0.0000032900000000 ] - [ -0.0004288600000000, 0.0022813900000000, 0.0016906800000000 ] - [ -0.0000044100000000, -0.0000926400000000, 0.0000514200000000 ] - [ 0.0000871700000000, -0.0001558700000000, -0.0001726500000000 ] - [ 0.0000323400000000, -0.0000956000000000, -0.0002700600000000 ] - [ -0.0000191600000000, -0.0002836500000000, 0.0000340700000000 ] - [ -0.0000309900000000, 0.0000735700000000, 0.0002344800000000 ] - [ 0.0000495900000000, -0.0002158800000000, -0.0002094900000000 ] - [ 0.0025263000000000, -0.0357592300000000, 0.0025130700000000 ] - [ 0.0010500500000000, 0.0024416000000000, -0.0021316400000000 ] - [ 0.0001054600000000, 0.0000170500000000, -0.0001411000000000 ] - [ 0.0801741200000000, -0.2042165800000000, -0.0989739900000000 ] - [ 0.0001041900000000, 0.0002463500000000, -0.0003118800000000 ] - [ 0.0000224100000000, -0.0000144100000000, 0.0000598900000000 ] - [ -0.0000074600000000, 0.0002552300000000, -0.0001097700000000 ] - [ 0.0006350500000000, 0.0025747900000000, 0.0021772800000000 ] - [ 0.0003240100000000, -0.0000842800000000, 0.0005227700000000 ] - [ -0.0648237300000000, -0.2231714300000000, 0.0867710100000000 ] - [ -0.0000383700000000, -0.0001050700000000, 0.0001096600000000 ] - [ 0.0033174700000000, -0.0001634300000000, -0.0011932800000000 ] - [ -0.0027455900000000, 0.0053972800000000, 0.0028610700000000 ] - [ -0.0001871800000000, -0.0009793100000000, 0.0013923300000000 ]- atom: 52 displacement: [ -0.0000185648863736, 0.0000000000000000, 0.0099999827672348 ] forces: - [ -0.0000616100000000, 0.0001869400000000, 0.0012033800000000 ] - [ -0.0002081300000000, -0.0001792800000000, 0.0009063600000000 ] - [ -0.0009629400000000, 0.0006652900000000, 0.0021428100000000 ] - [ -0.0114667800000000, -0.0007817900000000, 0.0073234600000000 ] - [ 0.0005372400000000, -0.0000552300000000, 0.0017794300000000 ] - [ -0.0000663100000000, 0.0005917400000000, -0.0015874400000000 ] - [ 0.0000887800000000, -0.0000945400000000, -0.0007557900000000 ] - [ 0.0062080700000000, -0.0004035500000000, 0.0096803600000000 ] - [ 0.0037950400000000, 0.0029744100000000, -0.0025491600000000 ] - [ 0.0033655300000000, -0.0023565000000000, -0.0020914100000000 ] - [ 0.0000798100000000, 0.0001109500000000, -0.0011279100000000 ] - [ 0.0001174200000000, 0.0002192500000000, -0.0013326200000000 ] - [ -0.0016770000000000, 0.0014798300000000, -0.0000129000000000 ] - [ -0.0000330200000000, 0.0001211300000000, 0.0009085100000000 ] - [ 0.0026564400000000, 0.0124667300000000, -0.0016810800000000 ] - [ -0.0001036200000000, 0.0001828000000000, 0.0007125100000000 ] - [ 0.0000921100000000, -0.0001207200000000, 0.0005075100000000 ] - [ -0.0003913000000000, 0.0022546000000000, 0.0027733200000000 ] - [ -0.0012468900000000, -0.0012537600000000, 0.0002002700000000 ] - [ 0.0010189300000000, 0.0018097600000000, 0.0001551600000000 ] - [ 0.0048793900000000, -0.0025199200000000, -0.0043346900000000 ] - [ 0.0000678400000000, -0.0002903500000000, 0.0006254100000000 ] - [ -0.0000850100000000, -0.0001190000000000, 0.0004421000000000 ] - [ -0.0100529600000000, -0.0035560800000000, 0.0046367700000000 ] - [ -0.0000466300000000, -0.0000320000000000, 0.0005123900000000 ] - [ -0.0004664100000000, -0.0022879800000000, 0.0024471900000000 ] - [ 0.0000515900000000, -0.0001610500000000, 0.0005664300000000 ] - [ 0.0000005200000000, -0.0000971100000000, 0.0008354600000000 ] - [ 0.0002279800000000, 0.0002602200000000, 0.0000117000000000 ] - [ -0.0000208700000000, -0.0002182700000000, 0.0004436900000000 ] - [ -0.0000328300000000, 0.0001547300000000, 0.0006542700000000 ] - [ 0.0001135500000000, -0.0001779100000000, 0.0000867000000000 ] - [ -0.0000033400000000, 0.0005999600000000, -0.0003528500000000 ] - [ 0.0000817100000000, -0.0002066100000000, 0.0008484600000000 ] - [ 0.0000411600000000, -0.0000349300000000, 0.0008132000000000 ] - [ -0.0023349500000000, -0.0012779000000000, -0.0003960900000000 ] - [ 0.0011634600000000, -0.0061884500000000, -0.0025640500000000 ] - [ 0.0000914700000000, -0.0008092200000000, 0.0016576500000000 ] - [ 0.0008199800000000, -0.0015167800000000, -0.0000027000000000 ] - [ 0.0001404600000000, -0.0000551500000000, 0.0004800300000000 ] - [ 0.0000131000000000, -0.0001721300000000, 0.0000822800000000 ] - [ 0.0000085900000000, 0.0009274100000000, 0.0018045300000000 ] - [ 0.0000176500000000, -0.0001144000000000, 0.0004054000000000 ] - [ -0.0001112600000000, -0.0001675000000000, 0.0004377800000000 ] - [ -0.0000159500000000, -0.0001838300000000, 0.0008546100000000 ] - [ -0.0000758900000000, -0.0001869400000000, 0.0007186700000000 ] - [ 0.0001373600000000, 0.0016163500000000, -0.0006339000000000 ] - [ -0.0025681900000000, 0.0014615500000000, -0.0001620200000000 ] - [ 0.0000425100000000, -0.0000276000000000, 0.0016969700000000 ] - [ -0.0001101800000000, 0.0000047300000000, 0.0026133300000000 ] - [ -0.0007361500000000, -0.0002751200000000, 0.0013676900000000 ] - [ 0.0420799200000000, -0.0084436200000000, -0.4614359100000000 ] - [ 0.0178745600000000, 0.0022933500000000, 0.0479739800000000 ] - [ 0.0085055200000000, -0.0005487400000000, -0.0044496600000000 ] - [ 0.0001837900000000, -0.0000971100000000, -0.0011576800000000 ] - [ -0.0009171300000000, -0.0000014600000000, 0.0020123000000000 ] - [ 0.0111967900000000, 0.0007549900000000, -0.0068283300000000 ] - [ -0.0001766100000000, -0.0000698900000000, 0.0015585000000000 ] - [ -0.0000123100000000, -0.0004518600000000, 0.0028711100000000 ] - [ 0.0000248600000000, -0.0000212800000000, 0.0018533700000000 ] - [ -0.0005239500000000, -0.0002982900000000, -0.0006409400000000 ] - [ 0.0003222500000000, 0.0002352800000000, -0.0007508400000000 ] - [ -0.0003410400000000, 0.0000601300000000, -0.0006891300000000 ] - [ 0.0001388700000000, 0.0000452700000000, 0.0032186600000000 ] - [ -0.0008186700000000, 0.0013459900000000, -0.0007256100000000 ] - [ -0.0060799800000000, 0.0003471800000000, 0.0124329300000000 ] - [ 0.0001487500000000, 0.0006496900000000, -0.0008498200000000 ] - [ 0.0009928600000000, 0.0008634000000000, 0.0030278000000000 ] - [ 0.0006042100000000, -0.0009059400000000, -0.0020934700000000 ] - [ -0.0003091700000000, 0.0003717500000000, -0.0009337400000000 ] - [ -0.0001875900000000, -0.0005765800000000, -0.0006398000000000 ] - [ -0.0002108300000000, -0.0001456000000000, -0.0004939300000000 ] - [ 0.0002857000000000, -0.0002193400000000, -0.0003562300000000 ] - [ -0.0002531100000000, 0.0003716900000000, -0.0011311200000000 ] - [ -0.0004339300000000, -0.0016829600000000, -0.0000577400000000 ] - [ 0.0000079700000000, -0.0002331900000000, -0.0006980700000000 ] - [ 0.0001934100000000, -0.0002919700000000, -0.0008746900000000 ] - [ 0.0004314100000000, -0.0002073700000000, 0.0000038700000000 ] - [ 0.0003620500000000, -0.0007923600000000, -0.0017025800000000 ] - [ -0.0002247800000000, 0.0014368800000000, -0.0000611300000000 ] - [ -0.0203879100000000, 0.0002521900000000, -0.0026222900000000 ] - [ 0.0005372700000000, 0.0016321400000000, 0.0028471000000000 ] - [ 0.0004052800000000, -0.0086245500000000, -0.0068408200000000 ] - [ 0.0009504300000000, -0.0000521000000000, -0.0039837500000000 ] - [ 0.0007197600000000, -0.0001679900000000, -0.0023965200000000 ] - [ 0.0070916200000000, 0.0011959100000000, 0.0341290300000000 ] - [ 0.0020486300000000, -0.0004008400000000, 0.0016571300000000 ] - [ -0.0011496200000000, -0.0000116200000000, -0.0045880200000000 ] - [ 0.0004590000000000, 0.0003911800000000, 0.0036261600000000 ] - [ 0.0034223100000000, 0.0072864400000000, -0.0085637000000000 ] - [ 0.0007007900000000, -0.0001661700000000, 0.0016751700000000 ] - [ 0.0002749500000000, -0.0006904400000000, -0.0003173100000000 ] - [ -0.0002352400000000, -0.0007400700000000, -0.0011066300000000 ] - [ 0.0003035100000000, 0.0002549900000000, -0.0011589600000000 ] - [ 0.0003414400000000, -0.0000925900000000, -0.0010766600000000 ] - [ 0.0003101300000000, 0.0004662600000000, -0.0018531900000000 ] - [ -0.0007912900000000, -0.0002888900000000, 0.0023927700000000 ] - [ -0.0006429100000000, -0.0003523100000000, -0.0027578300000000 ] - [ 0.0364984100000000, -0.0004597400000000, 0.1629612700000000 ] - [ 0.0004194700000000, 0.0008610800000000, -0.0005047300000000 ] - [ -0.0002852100000000, 0.0005093600000000, -0.0015205800000000 ] - [ -0.0553480400000000, 0.0978270500000000, 0.1106823000000000 ] - [ 0.0008641100000000, 0.0000684200000000, 0.0003431200000000 ] - [ 0.0001264400000000, -0.0006401300000000, -0.0007763700000000 ] - [ -0.0001812800000000, 0.0008364400000000, -0.0007922900000000 ] - [ -0.0006996900000000, -0.0017682200000000, -0.0006938300000000 ] - [ -0.0009715900000000, -0.0005218700000000, -0.0013728200000000 ] - [ -0.0413014500000000, -0.0937701700000000, 0.0982607600000000 ] - [ -0.0001269400000000, -0.0006319800000000, -0.0006804300000000 ] - [ 0.0012566600000000, 0.0008512100000000, 0.0014804800000000 ] - [ -0.0007003900000000, 0.0003623700000000, 0.0031144500000000 ] - [ 0.0002480900000000, 0.0006298400000000, -0.0016962300000000 ]- atom: 52 displacement: [ 0.0000185648863736, 0.0000000000000000, -0.0099999827672348 ] forces: - [ 0.0000837400000000, 0.0000618400000000, -0.0007649000000000 ] - [ -0.0003146300000000, -0.0004167000000000, -0.0010435800000000 ] - [ 0.0014741200000000, -0.0000681700000000, -0.0019894500000000 ] - [ 0.0115999000000000, 0.0010384200000000, -0.0077800900000000 ] - [ -0.0005551800000000, -0.0001939400000000, -0.0022049100000000 ] - [ -0.0004465800000000, -0.0000084600000000, 0.0014454300000000 ] - [ -0.0000683500000000, -0.0001585000000000, 0.0011935500000000 ] - [ -0.0057499000000000, -0.0001818000000000, -0.0096216800000000 ] - [ -0.0037374200000000, -0.0027177800000000, 0.0025989400000000 ] - [ -0.0032362300000000, 0.0026045200000000, 0.0023159200000000 ] - [ -0.0000781600000000, 0.0004532300000000, 0.0010334800000000 ] - [ -0.0001127800000000, -0.0002513900000000, 0.0012858600000000 ] - [ 0.0014011100000000, -0.0014107100000000, 0.0001274900000000 ] - [ 0.0002079000000000, -0.0003169800000000, -0.0007359600000000 ] - [ -0.0025097000000000, -0.0121174200000000, 0.0014900200000000 ] - [ -0.0000708700000000, 0.0000182400000000, -0.0008795600000000 ] - [ 0.0000265000000000, -0.0000456000000000, -0.0006674800000000 ] - [ 0.0003577500000000, -0.0025092200000000, -0.0027782900000000 ] - [ 0.0011152100000000, 0.0014056400000000, -0.0000329300000000 ] - [ -0.0010071000000000, -0.0012302600000000, -0.0000804600000000 ] - [ -0.0048086000000000, 0.0028370900000000, 0.0047322600000000 ] - [ -0.0001879000000000, 0.0001306300000000, -0.0004603300000000 ] - [ 0.0000786600000000, 0.0001533300000000, -0.0004079000000000 ] - [ 0.0098501500000000, 0.0038469500000000, -0.0045394500000000 ] - [ 0.0000527100000000, 0.0000603600000000, -0.0005397300000000 ] - [ 0.0003505200000000, 0.0020332800000000, -0.0026299100000000 ] - [ -0.0000862300000000, -0.0002084000000000, -0.0005564300000000 ] - [ 0.0000233700000000, -0.0002304700000000, -0.0003663000000000 ] - [ -0.0000564600000000, -0.0000628700000000, 0.0001726300000000 ] - [ 0.0000210600000000, -0.0003427700000000, -0.0005222800000000 ] - [ -0.0002254900000000, -0.0002144400000000, -0.0005339200000000 ] - [ -0.0000180600000000, 0.0000965100000000, 0.0001217400000000 ] - [ -0.0000208500000000, -0.0002665700000000, -0.0001200300000000 ] - [ 0.0000385600000000, -0.0000796700000000, -0.0006536000000000 ] - [ -0.0000051200000000, -0.0001828700000000, -0.0008020400000000 ] - [ 0.0022422500000000, 0.0013680900000000, 0.0002241800000000 ] - [ -0.0008932500000000, 0.0061413800000000, 0.0024373400000000 ] - [ -0.0002111900000000, 0.0010831000000000, -0.0018403000000000 ] - [ -0.0008181500000000, 0.0014684800000000, 0.0000255200000000 ] - [ 0.0001181200000000, 0.0000022100000000, -0.0006000000000000 ] - [ -0.0000379200000000, -0.0001605200000000, -0.0005465600000000 ] - [ -0.0000450600000000, -0.0006974500000000, -0.0018008800000000 ] - [ 0.0000172200000000, -0.0002605000000000, -0.0004131900000000 ] - [ 0.0001119800000000, -0.0004002900000000, -0.0003550900000000 ] - [ 0.0001138000000000, 0.0002618000000000, -0.0006604500000000 ] - [ -0.0000221400000000, 0.0001015600000000, -0.0009074500000000 ] - [ -0.0001010400000000, -0.0012274100000000, 0.0006141600000000 ] - [ 0.0024092800000000, -0.0016724900000000, 0.0000095600000000 ] - [ 0.0004065700000000, -0.0002088500000000, -0.0014023300000000 ] - [ 0.0006829900000000, -0.0002303800000000, -0.0022668500000000 ] - [ 0.0001637100000000, 0.0000528200000000, -0.0016896400000000 ] - [ -0.0492588900000000, 0.0092959100000000, 0.4525315000000000 ] - [ -0.0175049600000000, -0.0017928000000000, -0.0477270900000000 ] - [ -0.0079572300000000, 0.0007611300000000, 0.0049210800000000 ] - [ -0.0007584500000000, 0.0003188900000000, 0.0007917300000000 ] - [ 0.0004685500000000, -0.0002439000000000, -0.0022750100000000 ] - [ -0.0115729800000000, -0.0005095000000000, 0.0065353100000000 ] - [ 0.0003279500000000, -0.0001244600000000, -0.0020179200000000 ] - [ 0.0002136900000000, 0.0000312100000000, -0.0031426700000000 ] - [ -0.0002171700000000, -0.0003989600000000, -0.0015686300000000 ] - [ 0.0003208300000000, 0.0007154500000000, 0.0009003000000000 ] - [ 0.0001326200000000, -0.0000054000000000, 0.0010104800000000 ] - [ 0.0004843500000000, 0.0001343500000000, 0.0001990300000000 ] - [ -0.0002848900000000, -0.0002393900000000, -0.0027390400000000 ] - [ 0.0006263700000000, -0.0012921100000000, 0.0006482200000000 ] - [ 0.0059201400000000, -0.0001539100000000, -0.0125377300000000 ] - [ -0.0003466500000000, -0.0006897500000000, 0.0007891000000000 ] - [ -0.0009843500000000, -0.0006197800000000, -0.0031488300000000 ] - [ -0.0006501000000000, 0.0003809400000000, 0.0022915400000000 ] - [ 0.0003898100000000, -0.0005999800000000, 0.0006686700000000 ] - [ -0.0000452800000000, 0.0005956300000000, 0.0007889200000000 ] - [ 0.0000999700000000, 0.0003360200000000, 0.0009536200000000 ] - [ -0.0004470500000000, -0.0002212600000000, 0.0008773000000000 ] - [ 0.0002433500000000, -0.0005762200000000, 0.0009539500000000 ] - [ 0.0005108700000000, 0.0019108300000000, -0.0001954900000000 ] - [ 0.0001503900000000, -0.0002083000000000, 0.0001704600000000 ] - [ -0.0001536500000000, 0.0008122900000000, 0.0007879200000000 ] - [ -0.0005469600000000, 0.0000181200000000, 0.0004506300000000 ] - [ -0.0001627800000000, 0.0008438900000000, 0.0017581000000000 ] - [ 0.0002373500000000, -0.0012219200000000, 0.0002313600000000 ] - [ 0.0201013200000000, 0.0001864000000000, 0.0031028000000000 ] - [ -0.0004802400000000, -0.0015271300000000, -0.0026199800000000 ] - [ -0.0004580700000000, 0.0086818600000000, 0.0066112000000000 ] - [ -0.0010808100000000, -0.0001470400000000, 0.0037770200000000 ] - [ -0.0005816400000000, -0.0000299900000000, 0.0025620000000000 ] - [ -0.0066525000000000, -0.0010022200000000, -0.0341455100000000 ] - [ -0.0018152300000000, 0.0003700500000000, -0.0018586800000000 ] - [ 0.0010188300000000, -0.0004262700000000, 0.0045089400000000 ] - [ -0.0005323100000000, -0.0001564000000000, -0.0033261200000000 ] - [ -0.0034662000000000, -0.0067536600000000, 0.0086910100000000 ] - [ -0.0005619100000000, 0.0005979600000000, -0.0015667100000000 ] - [ -0.0005108000000000, 0.0006516200000000, 0.0004409500000000 ] - [ 0.0002389500000000, 0.0005806200000000, 0.0012887300000000 ] - [ -0.0002550700000000, -0.0007700400000000, 0.0009645200000000 ] - [ -0.0002295000000000, -0.0000995800000000, 0.0006099400000000 ] - [ -0.0003495000000000, -0.0009970900000000, 0.0019343300000000 ] - [ 0.0009083600000000, 0.0004833600000000, -0.0021480100000000 ] - [ 0.0007662600000000, -0.0000853200000000, 0.0028051100000000 ] - [ -0.0337805300000000, 0.0007193700000000, -0.1540075900000000 ] - [ -0.0004261100000000, -0.0010150800000000, 0.0002943500000000 ] - [ 0.0005179700000000, -0.0005407800000000, 0.0013693700000000 ] - [ 0.0574366900000000, -0.1006204000000000, -0.1111877900000000 ] - [ -0.0006941000000000, 0.0003700500000000, -0.0008652800000000 ] - [ -0.0000715100000000, 0.0005380000000000, 0.0009631000000000 ] - [ 0.0001768100000000, -0.0006636900000000, 0.0006073800000000 ] - [ 0.0007456000000000, 0.0012370900000000, 0.0005882100000000 ] - [ 0.0009896000000000, 0.0003064100000000, 0.0015426700000000 ] - [ 0.0430460300000000, 0.0964763800000000, -0.0983098900000000 ] - [ 0.0000475900000000, 0.0003919700000000, 0.0009355400000000 ] - [ -0.0012437500000000, -0.0006096600000000, -0.0013494000000000 ] - [ 0.0007391600000000, 0.0001713800000000, -0.0032672900000000 ] - [ -0.0003010600000000, -0.0007217800000000, 0.0015142100000000 ]- atom: 53 displacement: [ 0.0099999995909515, 0.0000000000000000, -0.0000028602394792 ] forces: - [ 0.0000136100000000, 0.0000853500000000, 0.0002981200000000 ] - [ -0.0002631700000000, -0.0002914700000000, -0.0001435100000000 ] - [ 0.0100998000000000, -0.0007016300000000, -0.0077033100000000 ] - [ -0.0006696900000000, 0.0000808700000000, -0.0001432800000000 ] - [ -0.0013732200000000, -0.0002425100000000, 0.0035607900000000 ] - [ -0.0003644100000000, 0.0004343900000000, -0.0000454000000000 ] - [ 0.0001069700000000, -0.0000824800000000, 0.0000636600000000 ] - [ 0.0006304800000000, -0.0003624200000000, 0.0004005000000000 ] - [ 0.0005461500000000, 0.0002934500000000, -0.0000000700000000 ] - [ 0.0005232400000000, -0.0000110800000000, 0.0001026600000000 ] - [ 0.0007854800000000, -0.0011542800000000, -0.0011580300000000 ] - [ 0.0005664200000000, 0.0016422100000000, -0.0014662500000000 ] - [ 0.0047879600000000, -0.0020421600000000, -0.0004278500000000 ] - [ 0.0003861200000000, 0.0005215600000000, 0.0017577600000000 ] - [ -0.0018416400000000, -0.0020352100000000, 0.0019725200000000 ] - [ -0.0002090300000000, 0.0002883300000000, -0.0000536200000000 ] - [ 0.0000683900000000, -0.0000746600000000, -0.0000619800000000 ] - [ -0.0000065900000000, 0.0001816800000000, 0.0003970200000000 ] - [ 0.0044123600000000, 0.0008845600000000, -0.0004004100000000 ] - [ 0.0000554100000000, 0.0114331900000000, 0.0037499600000000 ] - [ 0.0008494300000000, -0.0035680100000000, -0.0100432800000000 ] - [ -0.0000338300000000, -0.0000945600000000, 0.0001095500000000 ] - [ -0.0000213600000000, 0.0000135600000000, 0.0000328900000000 ] - [ 0.0135892700000000, 0.0046290200000000, 0.0058662700000000 ] - [ -0.0000107500000000, -0.0000459000000000, 0.0000445500000000 ] - [ -0.0000660200000000, -0.0003062400000000, 0.0001295800000000 ] - [ 0.0000299400000000, -0.0001770600000000, 0.0000515900000000 ] - [ -0.0000670300000000, -0.0001329400000000, 0.0003505100000000 ] - [ 0.0001504700000000, -0.0000174900000000, -0.0001339300000000 ] - [ 0.0000012600000000, -0.0002214300000000, 0.0000177100000000 ] - [ -0.0000942500000000, -0.0000182400000000, 0.0001021400000000 ] - [ 0.0000703500000000, 0.0000458100000000, -0.0000899500000000 ] - [ 0.0000667300000000, 0.0016158200000000, 0.0000738300000000 ] - [ 0.0001961000000000, -0.0002093800000000, 0.0000412900000000 ] - [ 0.0000932800000000, -0.0000566600000000, 0.0000016600000000 ] - [ -0.0006315100000000, -0.0000568200000000, -0.0003020100000000 ] - [ -0.0017866400000000, 0.0029054700000000, 0.0027034000000000 ] - [ 0.0003792900000000, 0.0013594100000000, -0.0030105700000000 ] - [ -0.0031428900000000, -0.0064771500000000, 0.0020139800000000 ] - [ 0.0001286300000000, -0.0000340000000000, -0.0000441900000000 ] - [ -0.0000092600000000, -0.0001849000000000, -0.0002266000000000 ] - [ 0.0006214800000000, -0.0006098700000000, -0.0018906100000000 ] - [ 0.0000153400000000, -0.0001751400000000, 0.0000163100000000 ] - [ -0.0000353200000000, -0.0002779100000000, 0.0000644300000000 ] - [ 0.0002904000000000, -0.0008846200000000, 0.0017545100000000 ] - [ -0.0001851300000000, -0.0003049700000000, -0.0000283600000000 ] - [ 0.0005628500000000, -0.0010642300000000, 0.0004010800000000 ] - [ -0.0007777800000000, 0.0000107100000000, -0.0002820000000000 ] - [ 0.0002368800000000, -0.0000944400000000, 0.0001984400000000 ] - [ 0.0006737500000000, 0.0000214800000000, 0.0006779100000000 ] - [ -0.0002638400000000, -0.0000908700000000, -0.0000943100000000 ] - [ 0.0179668600000000, 0.0006726600000000, 0.0179297200000000 ] - [ -0.4649037700000000, -0.0186312900000000, 0.0337826700000000 ] - [ 0.0094747400000000, 0.0001494700000000, -0.0111747300000000 ] - [ -0.0011608100000000, 0.0003000200000000, -0.0004641900000000 ] - [ -0.0004008500000000, -0.0001004100000000, 0.0001666100000000 ] - [ 0.0597497100000000, 0.0017708300000000, -0.0088460900000000 ] - [ 0.0000198900000000, -0.0000605900000000, -0.0001178400000000 ] - [ -0.0000378300000000, -0.0002564300000000, -0.0000481400000000 ] - [ -0.0001010900000000, -0.0001806000000000, 0.0002010200000000 ] - [ 0.0011255800000000, 0.0005583300000000, -0.0001636800000000 ] - [ 0.0007570500000000, -0.0003547100000000, 0.0015803900000000 ] - [ 0.0013310400000000, 0.0008577000000000, -0.0006577700000000 ] - [ 0.0003603700000000, -0.0003367000000000, 0.0001214300000000 ] - [ -0.0002724300000000, 0.0000664700000000, -0.0000499500000000 ] - [ -0.0100426900000000, 0.0000248000000000, 0.0215109000000000 ] - [ -0.0012211400000000, 0.0000303700000000, -0.0000515100000000 ] - [ 0.0010405000000000, -0.0003459100000000, -0.0002000200000000 ] - [ 0.0000004500000000, -0.0002945400000000, -0.0000415300000000 ] - [ 0.0000027400000000, -0.0000527900000000, -0.0001565300000000 ] - [ 0.0011419600000000, -0.0004987400000000, -0.0001377100000000 ] - [ -0.0004162900000000, 0.0000015000000000, 0.0010821600000000 ] - [ 0.0001399600000000, -0.0002236900000000, 0.0002347900000000 ] - [ 0.0000312300000000, -0.0000728500000000, -0.0001057500000000 ] - [ -0.0078834400000000, -0.0109171600000000, -0.0028530400000000 ] - [ 0.0000670500000000, -0.0002142600000000, -0.0002577400000000 ] - [ -0.0007813500000000, -0.0004504300000000, -0.0001453600000000 ] - [ -0.0000116000000000, -0.0001282800000000, 0.0001983900000000 ] - [ 0.0006053600000000, 0.0004976600000000, 0.0006790800000000 ] - [ -0.0108614600000000, 0.0099155100000000, -0.0054024700000000 ] - [ 0.1794666200000000, -0.0138624600000000, 0.0281766800000000 ] - [ -0.0016254800000000, -0.0008392800000000, -0.0001892700000000 ] - [ 0.0705793900000000, -0.0633644700000000, -0.0309332400000000 ] - [ 0.0000638400000000, -0.0001201900000000, -0.0006791600000000 ] - [ 0.0000843700000000, -0.0001010700000000, 0.0000035600000000 ] - [ -0.0156403500000000, 0.0005643400000000, 0.0005506200000000 ] - [ 0.0004176900000000, 0.0011708100000000, 0.0018162300000000 ] - [ -0.0000920300000000, -0.0001776700000000, -0.0000863600000000 ] - [ 0.0013250600000000, 0.0022279300000000, 0.0005978600000000 ] - [ 0.1050166300000000, 0.0859127200000000, -0.0585783100000000 ] - [ -0.0007308300000000, -0.0001091600000000, 0.0001536000000000 ] - [ 0.0000550000000000, -0.0000553500000000, 0.0000894000000000 ] - [ -0.0001837900000000, -0.0001411500000000, -0.0005106900000000 ] - [ -0.0000100000000000, -0.0002232700000000, -0.0001149700000000 ] - [ -0.0005620200000000, -0.0001341200000000, -0.0002491200000000 ] - [ 0.0004387900000000, -0.0005166000000000, 0.0002843900000000 ] - [ 0.0017214000000000, 0.0002599800000000, -0.0011443900000000 ] - [ 0.0000340800000000, -0.0002235900000000, -0.0000899000000000 ] - [ 0.0368014600000000, 0.0051807600000000, 0.0202570500000000 ] - [ 0.0001663500000000, -0.0000529000000000, -0.0000636200000000 ] - [ -0.0001177300000000, 0.0000240200000000, -0.0006244200000000 ] - [ -0.0008177400000000, -0.0017129100000000, -0.0030921900000000 ] - [ -0.0010903600000000, -0.0002094400000000, 0.0001933000000000 ] - [ 0.0000004300000000, -0.0001130800000000, 0.0000524200000000 ] - [ 0.0016390600000000, 0.0002563100000000, -0.0001477600000000 ] - [ -0.0001819600000000, -0.0003941900000000, -0.0001024100000000 ] - [ -0.0001072200000000, -0.0001437500000000, -0.0000030100000000 ] - [ -0.0006991400000000, 0.0012445200000000, -0.0023080700000000 ] - [ -0.0000049300000000, -0.0001803300000000, 0.0000875100000000 ] - [ 0.0001868800000000, -0.0009604700000000, 0.0012959700000000 ] - [ -0.0009311600000000, 0.0007093000000000, -0.0002105100000000 ] - [ -0.0000065700000000, 0.0000127100000000, -0.0002493600000000 ]- atom: 53 displacement: [ -0.0099999995909515, 0.0000000000000000, 0.0000028602394792 ] forces: - [ 0.0000065400000000, 0.0001659300000000, 0.0001375400000000 ] - [ -0.0002586300000000, -0.0003019300000000, 0.0000059000000000 ] - [ -0.0096308800000000, 0.0012966700000000, 0.0079764200000000 ] - [ 0.0006427900000000, 0.0001758100000000, -0.0002898900000000 ] - [ 0.0013286500000000, -0.0000062900000000, -0.0039641400000000 ] - [ -0.0001569000000000, 0.0001560800000000, -0.0000854500000000 ] - [ -0.0000862200000000, -0.0001695700000000, 0.0003727000000000 ] - [ -0.0001051400000000, -0.0002254500000000, -0.0002845000000000 ] - [ -0.0005062600000000, -0.0000831400000000, 0.0000266000000000 ] - [ -0.0004020700000000, 0.0003003000000000, 0.0000982900000000 ] - [ -0.0007829500000000, 0.0017000300000000, 0.0010722600000000 ] - [ -0.0005636300000000, -0.0016599600000000, 0.0014264000000000 ] - [ -0.0050501000000000, 0.0021416400000000, 0.0005377100000000 ] - [ -0.0002134600000000, -0.0007028000000000, -0.0015711000000000 ] - [ 0.0019845200000000, 0.0021681500000000, -0.0021016300000000 ] - [ 0.0000313100000000, -0.0000940800000000, -0.0001197300000000 ] - [ 0.0000521600000000, -0.0000927600000000, -0.0001040700000000 ] - [ -0.0000184200000000, -0.0004184700000000, -0.0004112600000000 ] - [ -0.0045100000000000, -0.0007643700000000, 0.0005709600000000 ] - [ -0.0000452200000000, -0.0106756400000000, -0.0036154000000000 ] - [ -0.0008048300000000, 0.0038388800000000, 0.0103641100000000 ] - [ -0.0000899800000000, -0.0000586300000000, 0.0000459600000000 ] - [ 0.0000220500000000, 0.0000254200000000, -0.0000075700000000 ] - [ -0.0138103700000000, -0.0043430800000000, -0.0060023600000000 ] - [ 0.0000100500000000, 0.0000802900000000, -0.0000721700000000 ] - [ -0.0000435800000000, 0.0000342100000000, -0.0003188200000000 ] - [ -0.0000633300000000, -0.0001961800000000, -0.0000454400000000 ] - [ 0.0000879000000000, -0.0001999100000000, 0.0001166000000000 ] - [ 0.0000099400000000, 0.0001967600000000, 0.0003023700000000 ] - [ -0.0000030100000000, -0.0003388100000000, -0.0000939700000000 ] - [ -0.0001635000000000, -0.0000453400000000, 0.0000012000000000 ] - [ 0.0000165900000000, -0.0001152400000000, 0.0002800700000000 ] - [ -0.0000909800000000, -0.0012623200000000, -0.0005376700000000 ] - [ -0.0000742400000000, -0.0000768700000000, 0.0001529800000000 ] - [ -0.0000537500000000, -0.0001595500000000, 0.0000145500000000 ] - [ 0.0005298000000000, 0.0001382600000000, 0.0001129600000000 ] - [ 0.0020660700000000, -0.0028399200000000, -0.0028039500000000 ] - [ -0.0004884500000000, -0.0010870800000000, 0.0028062800000000 ] - [ 0.0031370000000000, 0.0063256600000000, -0.0019569600000000 ] - [ 0.0001291600000000, -0.0000152100000000, -0.0000777600000000 ] - [ -0.0000132100000000, -0.0001528900000000, -0.0002436000000000 ] - [ -0.0006340000000000, 0.0008408500000000, 0.0018613300000000 ] - [ 0.0000185900000000, -0.0002036600000000, -0.0000285300000000 ] - [ 0.0000381800000000, -0.0002878700000000, 0.0000100900000000 ] - [ -0.0001954000000000, 0.0009485400000000, -0.0015492500000000 ] - [ 0.0000868500000000, 0.0002239000000000, -0.0001610700000000 ] - [ -0.0005062300000000, 0.0014411900000000, -0.0003962300000000 ] - [ 0.0006005400000000, -0.0002073000000000, 0.0001111700000000 ] - [ 0.0002127200000000, -0.0001396600000000, 0.0000720100000000 ] - [ -0.0000982600000000, -0.0002459900000000, -0.0003359100000000 ] - [ -0.0003048500000000, -0.0001326900000000, -0.0002510500000000 ] - [ -0.0179191200000000, -0.0005349500000000, -0.0174730700000000 ] - [ 0.4531141200000000, 0.0221220400000000, -0.0382375100000000 ] - [ -0.0088510700000000, 0.0000918000000000, 0.0114117000000000 ] - [ 0.0005578000000000, -0.0000772800000000, 0.0001156500000000 ] - [ -0.0000478700000000, -0.0001391800000000, -0.0004392000000000 ] - [ -0.0596082900000000, -0.0014741800000000, 0.0085914400000000 ] - [ 0.0001256800000000, -0.0001367100000000, -0.0003668100000000 ] - [ 0.0002240700000000, -0.0001670000000000, -0.0002267400000000 ] - [ -0.0000878700000000, -0.0002366300000000, 0.0000646300000000 ] - [ -0.0013119600000000, -0.0001518300000000, 0.0004391100000000 ] - [ -0.0003028500000000, 0.0005668500000000, -0.0012745400000000 ] - [ -0.0011363600000000, -0.0006477600000000, 0.0001800600000000 ] - [ -0.0004935400000000, 0.0001392700000000, 0.0003446200000000 ] - [ 0.0000663700000000, -0.0000241200000000, -0.0000213800000000 ] - [ 0.0098231000000000, 0.0001825100000000, -0.0215753900000000 ] - [ 0.0009965900000000, -0.0000749500000000, -0.0000202000000000 ] - [ -0.0010246200000000, 0.0005632300000000, 0.0000336400000000 ] - [ -0.0000746300000000, -0.0002312300000000, 0.0002484900000000 ] - [ 0.0000939400000000, -0.0001740300000000, -0.0001053800000000 ] - [ -0.0013482000000000, 0.0005280600000000, 0.0002801900000000 ] - [ 0.0002881900000000, 0.0002124700000000, -0.0005981100000000 ] - [ -0.0002919600000000, -0.0002182700000000, 0.0002866600000000 ] - [ -0.0000303200000000, -0.0001372500000000, -0.0000533000000000 ] - [ 0.0079473200000000, 0.0110928500000000, 0.0025616300000000 ] - [ 0.0000881200000000, -0.0002297000000000, -0.0002630000000000 ] - [ 0.0008077000000000, 0.0009583600000000, 0.0000501400000000 ] - [ -0.0000990700000000, -0.0000665200000000, 0.0002566000000000 ] - [ -0.0003972100000000, -0.0004370700000000, -0.0005961400000000 ] - [ 0.0108483300000000, -0.0096789900000000, 0.0055365700000000 ] - [ -0.1688247900000000, 0.0132804000000000, -0.0262044200000000 ] - [ 0.0016728900000000, 0.0009480500000000, 0.0003916400000000 ] - [ -0.0699410000000000, 0.0647550500000000, 0.0315903700000000 ] - [ -0.0001958600000000, -0.0000841600000000, 0.0004870400000000 ] - [ 0.0000466200000000, -0.0001033400000000, 0.0001916700000000 ] - [ 0.0156198000000000, -0.0003716200000000, -0.0009509900000000 ] - [ -0.0001885200000000, -0.0011467700000000, -0.0019446800000000 ] - [ -0.0000344700000000, -0.0002614700000000, 0.0000305900000000 ] - [ -0.0013974000000000, -0.0019559800000000, -0.0003320900000000 ] - [ -0.1055527400000000, -0.0885918200000000, 0.0609305100000000 ] - [ 0.0008463300000000, 0.0005418200000000, -0.0000979700000000 ] - [ -0.0002858500000000, 0.0000250700000000, 0.0000520800000000 ] - [ 0.0001817800000000, -0.0000222100000000, 0.0007003200000000 ] - [ 0.0000476700000000, -0.0003019300000000, -0.0000571400000000 ] - [ 0.0006604000000000, -0.0000598700000000, -0.0002148300000000 ] - [ -0.0004768400000000, -0.0000264100000000, -0.0001771000000000 ] - [ -0.0015577300000000, -0.0000477800000000, 0.0013009200000000 ] - [ 0.0000973900000000, -0.0002162700000000, 0.0001623600000000 ] - [ -0.0365006300000000, -0.0048508400000000, -0.0206682000000000 ] - [ -0.0001613700000000, -0.0001133700000000, -0.0001301000000000 ] - [ 0.0003505400000000, -0.0000555700000000, 0.0004803600000000 ] - [ 0.0007840200000000, 0.0022310300000000, 0.0031344600000000 ] - [ 0.0012453900000000, 0.0006491100000000, -0.0007106900000000 ] - [ 0.0000565000000000, 0.0000178200000000, 0.0001514500000000 ] - [ -0.0016102200000000, -0.0000893500000000, -0.0000397900000000 ] - [ 0.0002197700000000, -0.0001181600000000, 0.0000075900000000 ] - [ 0.0001431200000000, -0.0000674100000000, 0.0001896300000000 ] - [ 0.0009279300000000, -0.0012677900000000, 0.0023481400000000 ] - [ -0.0000753400000000, -0.0000497300000000, 0.0001823600000000 ] - [ -0.0001888500000000, 0.0011210200000000, -0.0010919600000000 ] - [ 0.0009568900000000, -0.0001788900000000, 0.0000317700000000 ] - [ -0.0000654100000000, -0.0001044200000000, 0.0000594300000000 ]- atom: 53 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000137500000000, 0.0001198700000000, 0.0004346000000000 ] - [ -0.0002555100000000, -0.0001311100000000, 0.0002431600000000 ] - [ -0.0006862500000000, -0.0033159300000000, 0.0001280600000000 ] - [ -0.0002004400000000, -0.0000764300000000, 0.0000599700000000 ] - [ -0.0000823000000000, -0.0021472400000000, -0.0005996000000000 ] - [ -0.0002749600000000, 0.0008471400000000, -0.0004622600000000 ] - [ 0.0000199400000000, -0.0000334200000000, -0.0000062300000000 ] - [ 0.0003894000000000, -0.0003913300000000, 0.0003881900000000 ] - [ 0.0001626900000000, 0.0004217200000000, -0.0000459900000000 ] - [ 0.0000063800000000, -0.0002098800000000, -0.0001772700000000 ] - [ 0.0000738700000000, 0.0005626200000000, -0.0001542800000000 ] - [ 0.0001245000000000, -0.0004103800000000, -0.0002503300000000 ] - [ -0.0060986300000000, 0.0021568200000000, -0.0003096600000000 ] - [ 0.0004086000000000, -0.0006255700000000, 0.0002182300000000 ] - [ -0.0015500200000000, 0.0071645900000000, -0.0131016700000000 ] - [ 0.0000682200000000, 0.0000092000000000, 0.0002882000000000 ] - [ 0.0000736000000000, -0.0000335300000000, -0.0000422700000000 ] - [ 0.0000176800000000, 0.0001324800000000, 0.0003276400000000 ] - [ 0.0036146400000000, 0.0032150200000000, -0.0004493700000000 ] - [ 0.0127433900000000, 0.0092233500000000, 0.0036888800000000 ] - [ -0.0032969900000000, -0.0002707800000000, 0.0035591400000000 ] - [ -0.0000528200000000, -0.0001145400000000, 0.0001359200000000 ] - [ -0.0000026500000000, -0.0000159900000000, 0.0000765800000000 ] - [ 0.0052897600000000, -0.0014815200000000, 0.0034015000000000 ] - [ -0.0000108700000000, 0.0000571500000000, 0.0000618600000000 ] - [ -0.0000502600000000, -0.0002300500000000, -0.0000354500000000 ] - [ -0.0000180300000000, -0.0002079300000000, 0.0000570200000000 ] - [ 0.0000598800000000, -0.0002023000000000, 0.0003010400000000 ] - [ 0.0000731200000000, 0.0001864900000000, 0.0002011300000000 ] - [ -0.0000047600000000, -0.0003230900000000, 0.0000104300000000 ] - [ -0.0001274400000000, 0.0000111700000000, 0.0001170700000000 ] - [ 0.0000345900000000, -0.0001236500000000, 0.0001624100000000 ] - [ 0.0000747500000000, 0.0002397500000000, -0.0002503700000000 ] - [ 0.0001686900000000, -0.0000428800000000, 0.0001158600000000 ] - [ -0.0001311200000000, -0.0003359000000000, 0.0001116000000000 ] - [ 0.0000597800000000, -0.0002647900000000, -0.0004860300000000 ] - [ 0.0022790400000000, 0.0131872600000000, 0.0097240500000000 ] - [ -0.0002677800000000, 0.0030868900000000, -0.0037750400000000 ] - [ -0.0069282600000000, 0.0048881500000000, -0.0014614600000000 ] - [ 0.0001245500000000, -0.0000423400000000, 0.0000511300000000 ] - [ -0.0000147200000000, -0.0001554300000000, -0.0001866100000000 ] - [ -0.0003277800000000, 0.0024990400000000, 0.0053964100000000 ] - [ 0.0000204300000000, -0.0001746500000000, 0.0000514600000000 ] - [ -0.0000076600000000, -0.0002510000000000, 0.0001039900000000 ] - [ 0.0000696800000000, 0.0002231700000000, -0.0001193500000000 ] - [ -0.0001393400000000, 0.0000604900000000, -0.0000203300000000 ] - [ -0.0005120900000000, 0.0069576400000000, -0.0004634200000000 ] - [ -0.0003518600000000, 0.0002957900000000, -0.0000266500000000 ] - [ 0.0001719600000000, -0.0001008100000000, 0.0003640800000000 ] - [ 0.0002267700000000, 0.0004543200000000, 0.0002655000000000 ] - [ -0.0002309600000000, -0.0000264400000000, 0.0000250900000000 ] - [ 0.0010197900000000, 0.0083033600000000, 0.0022968900000000 ] - [ -0.0157305200000000, -0.5273198600000000, -0.0044575300000000 ] - [ 0.0011607700000000, -0.0004533500000000, 0.0003256200000000 ] - [ -0.0003134000000000, 0.0044071900000000, 0.0002050400000000 ] - [ -0.0002332800000000, -0.0001094200000000, 0.0000557100000000 ] - [ -0.0007024800000000, 0.0068722700000000, 0.0000439700000000 ] - [ 0.0000496200000000, -0.0000100000000000, -0.0000527300000000 ] - [ 0.0001325900000000, -0.0003236800000000, 0.0001561100000000 ] - [ -0.0000593500000000, -0.0001911500000000, 0.0003582200000000 ] - [ -0.0004485600000000, 0.0037842000000000, -0.0001362200000000 ] - [ 0.0007300800000000, 0.0041336100000000, -0.0000324200000000 ] - [ -0.0005687700000000, 0.0040103200000000, 0.0002715700000000 ] - [ -0.0003573300000000, -0.0018497200000000, 0.0004915900000000 ] - [ -0.0001252000000000, 0.0001096400000000, -0.0000168600000000 ] - [ -0.0002203400000000, 0.0002559300000000, -0.0002878400000000 ] - [ -0.0002679900000000, -0.0027741900000000, 0.0000074700000000 ] - [ -0.0026579500000000, -0.0037454300000000, 0.0004931200000000 ] - [ 0.0000103500000000, -0.0002648600000000, -0.0000603100000000 ] - [ 0.0000216800000000, -0.0000949400000000, -0.0002389300000000 ] - [ -0.0004598200000000, -0.0025271400000000, -0.0003934500000000 ] - [ 0.0002753400000000, -0.0021942200000000, -0.0002648500000000 ] - [ -0.0001022800000000, -0.0002178900000000, 0.0001692000000000 ] - [ -0.0000501700000000, -0.0001014700000000, -0.0002447500000000 ] - [ 0.0038274400000000, 0.0015420400000000, -0.0009823600000000 ] - [ 0.0000768900000000, -0.0002215700000000, -0.0003501800000000 ] - [ 0.0006555800000000, -0.0012369700000000, -0.0006534600000000 ] - [ -0.0000692500000000, -0.0001183000000000, 0.0002422600000000 ] - [ -0.0000734900000000, 0.0008028500000000, 0.0014266200000000 ] - [ -0.0039898300000000, -0.0005624100000000, 0.0015832300000000 ] - [ -0.0170001400000000, 0.0374517200000000, -0.0023272500000000 ] - [ -0.0019754100000000, -0.0039428500000000, -0.0002446500000000 ] - [ -0.0611269500000000, 0.2283639800000000, 0.0709846900000000 ] - [ 0.0000115500000000, -0.0001282600000000, -0.0003902700000000 ] - [ 0.0001590100000000, -0.0001179900000000, -0.0002751100000000 ] - [ -0.0021581000000000, 0.0000757600000000, 0.0001600300000000 ] - [ 0.0001758900000000, -0.0003094500000000, -0.0002334200000000 ] - [ -0.0001803900000000, -0.0001146400000000, -0.0005010500000000 ] - [ 0.0023009500000000, -0.0043986500000000, 0.0002342100000000 ] - [ 0.0851444800000000, 0.1817420700000000, -0.0812925100000000 ] - [ 0.0004678300000000, -0.0012670000000000, 0.0003078500000000 ] - [ -0.0000804600000000, -0.0003025700000000, -0.0000836800000000 ] - [ -0.0001605200000000, -0.0003931500000000, -0.0001578400000000 ] - [ 0.0000713400000000, -0.0002590900000000, -0.0002535500000000 ] - [ 0.0003308800000000, -0.0002330100000000, -0.0000352700000000 ] - [ 0.0002852000000000, 0.0011695600000000, -0.0020081000000000 ] - [ -0.0004040600000000, -0.0016214000000000, 0.0005164200000000 ] - [ -0.0000205400000000, -0.0002403100000000, -0.0003135600000000 ] - [ 0.0038693200000000, 0.0383046600000000, 0.0094143700000000 ] - [ 0.0000149400000000, 0.0000308100000000, -0.0000654800000000 ] - [ 0.0001995000000000, 0.0000599200000000, 0.0002480800000000 ] - [ 0.0017716600000000, -0.0023131600000000, 0.0000405500000000 ] - [ 0.0000354300000000, 0.0000679900000000, -0.0001134900000000 ] - [ 0.0000770100000000, -0.0000864200000000, -0.0000393600000000 ] - [ 0.0002805400000000, -0.0029066100000000, 0.0000334300000000 ] - [ -0.0000170000000000, -0.0005525500000000, -0.0001685800000000 ] - [ -0.0000492500000000, -0.0001283800000000, -0.0000840400000000 ] - [ -0.0006783700000000, 0.0001980000000000, -0.0016186900000000 ] - [ -0.0000958900000000, -0.0001628600000000, -0.0000102500000000 ] - [ -0.0002067000000000, 0.0009108900000000, 0.0000356700000000 ] - [ 0.0026945300000000, -0.0031334000000000, 0.0009587400000000 ] - [ -0.0000125900000000, 0.0000702900000000, -0.0003192200000000 ]- atom: 53 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000373800000000, 0.0001197900000000, -0.0000236100000000 ] - [ -0.0002745800000000, -0.0004410900000000, -0.0003279000000000 ] - [ 0.0011339600000000, 0.0039097400000000, -0.0000712100000000 ] - [ 0.0001735200000000, 0.0003232900000000, -0.0004301000000000 ] - [ -0.0001276100000000, 0.0019065500000000, 0.0003041300000000 ] - [ -0.0002441100000000, -0.0002570300000000, 0.0003571500000000 ] - [ -0.0000002800000000, -0.0002270100000000, 0.0004628200000000 ] - [ 0.0001350600000000, -0.0002060000000000, -0.0002029900000000 ] - [ -0.0001266100000000, -0.0001729600000000, 0.0000887100000000 ] - [ 0.0001064300000000, 0.0004583400000000, 0.0003886200000000 ] - [ -0.0000830500000000, 0.0000248100000000, 0.0000872300000000 ] - [ -0.0001338300000000, 0.0003367300000000, 0.0002337400000000 ] - [ 0.0057059400000000, -0.0021218400000000, 0.0004043500000000 ] - [ -0.0000315200000000, 0.0006248900000000, -0.0001228300000000 ] - [ 0.0016684200000000, -0.0069347700000000, 0.0127252600000000 ] - [ -0.0002397300000000, 0.0003904500000000, -0.0003223900000000 ] - [ 0.0000593200000000, -0.0001679900000000, -0.0000510000000000 ] - [ -0.0000523500000000, -0.0003503200000000, -0.0003047800000000 ] - [ -0.0038264900000000, -0.0030641600000000, 0.0006187500000000 ] - [ -0.0125050700000000, -0.0084238900000000, -0.0037127500000000 ] - [ 0.0033106200000000, 0.0006538200000000, -0.0030755200000000 ] - [ -0.0000687300000000, -0.0000476900000000, 0.0000590300000000 ] - [ 0.0000059000000000, 0.0000643700000000, -0.0000238900000000 ] - [ -0.0053564000000000, 0.0019427300000000, -0.0034285800000000 ] - [ -0.0000104600000000, -0.0000458500000000, -0.0000238400000000 ] - [ -0.0000648400000000, -0.0000600000000000, -0.0001111000000000 ] - [ -0.0000138000000000, -0.0001664900000000, 0.0000048300000000 ] - [ -0.0000460000000000, -0.0001186700000000, 0.0002816700000000 ] - [ 0.0000956700000000, 0.0000078600000000, 0.0000167800000000 ] - [ -0.0000061600000000, -0.0002065300000000, -0.0000190300000000 ] - [ -0.0001307200000000, -0.0000662300000000, 0.0000219200000000 ] - [ 0.0000560700000000, 0.0000450800000000, 0.0000648000000000 ] - [ -0.0000892600000000, 0.0000856400000000, -0.0002351200000000 ] - [ -0.0000593700000000, -0.0002956500000000, 0.0000629900000000 ] - [ 0.0001536700000000, 0.0001643700000000, -0.0001087800000000 ] - [ -0.0001551300000000, 0.0003137100000000, 0.0003299100000000 ] - [ -0.0020327700000000, -0.0133595100000000, -0.0100526100000000 ] - [ -0.0000182500000000, -0.0030056900000000, 0.0035842100000000 ] - [ 0.0070648900000000, -0.0051156800000000, 0.0013278400000000 ] - [ 0.0001421100000000, 0.0000134100000000, -0.0001055300000000 ] - [ -0.0000134300000000, -0.0001927600000000, -0.0002548700000000 ] - [ 0.0001364900000000, -0.0021036000000000, -0.0053868000000000 ] - [ 0.0000178400000000, -0.0002122500000000, -0.0000372600000000 ] - [ 0.0000082100000000, -0.0003207800000000, -0.0000070400000000 ] - [ 0.0002330600000000, -0.0003351000000000, 0.0002138600000000 ] - [ 0.0000332900000000, -0.0003758100000000, 0.0000276200000000 ] - [ 0.0005429500000000, -0.0064728000000000, 0.0004155600000000 ] - [ 0.0001768500000000, -0.0004602900000000, -0.0001181900000000 ] - [ 0.0002235600000000, -0.0001128900000000, -0.0000732300000000 ] - [ 0.0001923100000000, -0.0008058200000000, 0.0000747500000000 ] - [ -0.0003205800000000, -0.0002089200000000, -0.0002819400000000 ] - [ -0.0012038700000000, -0.0080956400000000, -0.0017707800000000 ] - [ 0.0249195600000000, 0.5230026300000000, -0.0052692500000000 ] - [ -0.0006162800000000, 0.0006483900000000, 0.0001181700000000 ] - [ -0.0002565300000000, -0.0042505300000000, -0.0005827700000000 ] - [ -0.0001988800000000, -0.0001260100000000, -0.0001340400000000 ] - [ 0.0002414300000000, -0.0065783300000000, -0.0001577800000000 ] - [ 0.0000718000000000, -0.0001865600000000, -0.0003144000000000 ] - [ 0.0000229800000000, -0.0000936400000000, -0.0002453200000000 ] - [ -0.0001224400000000, -0.0001882500000000, -0.0000552000000000 ] - [ 0.0002645100000000, -0.0033624400000000, 0.0003409500000000 ] - [ -0.0003023000000000, -0.0038793100000000, 0.0002204000000000 ] - [ 0.0006004300000000, -0.0038333300000000, -0.0007223400000000 ] - [ 0.0002576000000000, 0.0016766000000000, 0.0000408600000000 ] - [ -0.0000652000000000, 0.0000150800000000, -0.0001151500000000 ] - [ 0.0001250200000000, -0.0000456600000000, -0.0001089700000000 ] - [ 0.0000992800000000, 0.0026714300000000, -0.0000602200000000 ] - [ 0.0026444500000000, 0.0039964700000000, -0.0005957200000000 ] - [ -0.0000116300000000, -0.0003378500000000, 0.0001604600000000 ] - [ 0.0000465800000000, -0.0000481100000000, -0.0000909300000000 ] - [ 0.0001710100000000, 0.0027020700000000, 0.0005482900000000 ] - [ -0.0002860400000000, 0.0023786500000000, 0.0007013300000000 ] - [ -0.0000505700000000, -0.0002391200000000, 0.0003285400000000 ] - [ 0.0000493600000000, -0.0001356100000000, 0.0001148200000000 ] - [ -0.0036705100000000, -0.0012219400000000, 0.0006592100000000 ] - [ 0.0000959600000000, -0.0002330000000000, -0.0001549100000000 ] - [ -0.0005710300000000, 0.0018352700000000, 0.0005809800000000 ] - [ -0.0000447100000000, -0.0000845000000000, 0.0002024800000000 ] - [ 0.0007434800000000, -0.0006155300000000, -0.0016055300000000 ] - [ 0.0040795400000000, 0.0006478200000000, -0.0013710200000000 ] - [ 0.0170430800000000, -0.0367480300000000, 0.0033920100000000 ] - [ 0.0020476000000000, 0.0039665300000000, 0.0005053800000000 ] - [ 0.0570106400000000, -0.2180122200000000, -0.0665620200000000 ] - [ -0.0000559200000000, -0.0000862500000000, -0.0000373200000000 ] - [ -0.0000061400000000, -0.0001003500000000, 0.0003935400000000 ] - [ 0.0022065700000000, 0.0001207700000000, -0.0006194100000000 ] - [ 0.0000654000000000, 0.0003248900000000, 0.0000750900000000 ] - [ -0.0000453300000000, -0.0003326100000000, 0.0002069100000000 ] - [ -0.0023873300000000, 0.0045117500000000, 0.0000874200000000 ] - [ -0.0901589800000000, -0.1871617200000000, 0.0861791100000000 ] - [ -0.0002905700000000, 0.0017092800000000, -0.0001324600000000 ] - [ -0.0001801600000000, 0.0001986200000000, 0.0001663900000000 ] - [ -0.0000336700000000, 0.0003742600000000, 0.0002625700000000 ] - [ -0.0000277400000000, -0.0002518600000000, 0.0000747500000000 ] - [ -0.0001536800000000, 0.0000230600000000, -0.0003564100000000 ] - [ 0.0001506000000000, -0.0019232900000000, 0.0018483200000000 ] - [ 0.0004693400000000, 0.0018215400000000, -0.0001651900000000 ] - [ 0.0001249300000000, -0.0002147200000000, 0.0002932700000000 ] - [ -0.0043214100000000, -0.0377406400000000, -0.0096503100000000 ] - [ -0.0000199800000000, -0.0001295500000000, -0.0001816400000000 ] - [ -0.0004069300000000, -0.0002861300000000, -0.0007279300000000 ] - [ -0.0017844500000000, 0.0027518600000000, 0.0000390400000000 ] - [ 0.0001263800000000, 0.0003888200000000, -0.0003964300000000 ] - [ -0.0000088700000000, -0.0000405600000000, 0.0002324400000000 ] - [ -0.0003123600000000, 0.0034236500000000, -0.0001444400000000 ] - [ 0.0000885400000000, -0.0000549300000000, 0.0000093300000000 ] - [ 0.0000107900000000, -0.0001536400000000, 0.0001684700000000 ] - [ 0.0009047800000000, -0.0001686000000000, 0.0016870900000000 ] - [ 0.0000083800000000, -0.0000485400000000, 0.0003115800000000 ] - [ 0.0001950200000000, -0.0007158800000000, 0.0001518300000000 ] - [ -0.0026408400000000, 0.0036897000000000, -0.0010756000000000 ] - [ -0.0000330900000000, -0.0000838000000000, 0.0000588500000000 ]- atom: 53 displacement: [ -0.0000185648863736, 0.0000000000000000, 0.0099999827672348 ] forces: - [ -0.0000205200000000, 0.0001743800000000, 0.0009592500000000 ] - [ -0.0007438700000000, 0.0012979600000000, 0.0009674300000000 ] - [ -0.0095203200000000, 0.0013243400000000, 0.0077471500000000 ] - [ -0.0015130000000000, -0.0001299800000000, 0.0015318700000000 ] - [ 0.0040898200000000, -0.0003049000000000, 0.0071802400000000 ] - [ 0.0000135100000000, 0.0004925500000000, -0.0010456100000000 ] - [ -0.0000019200000000, -0.0001753800000000, -0.0004049400000000 ] - [ 0.0010821100000000, -0.0004259300000000, 0.0019549600000000 ] - [ 0.0010431500000000, 0.0017822900000000, -0.0002570700000000 ] - [ 0.0011638700000000, -0.0015800700000000, -0.0001845500000000 ] - [ 0.0000238800000000, 0.0006065400000000, -0.0011972100000000 ] - [ -0.0000159900000000, -0.0003244600000000, -0.0013677100000000 ] - [ -0.0020233500000000, 0.0007422800000000, -0.0007903600000000 ] - [ 0.0000628900000000, 0.0000838700000000, 0.0004886900000000 ] - [ 0.0017216700000000, -0.0107055100000000, -0.0004675300000000 ] - [ 0.0003113600000000, -0.0000010200000000, 0.0005419100000000 ] - [ 0.0001150800000000, 0.0000425800000000, 0.0006417700000000 ] - [ 0.0001472500000000, 0.0008674400000000, 0.0015543500000000 ] - [ -0.0024128700000000, -0.0015783300000000, 0.0005173600000000 ] - [ 0.0042048400000000, 0.0043937000000000, -0.0009719200000000 ] - [ -0.0097622300000000, 0.0042531500000000, 0.0037989500000000 ] - [ 0.0000193700000000, -0.0001681000000000, 0.0006245500000000 ] - [ -0.0000595000000000, -0.0000491000000000, 0.0005822900000000 ] - [ 0.0054781200000000, 0.0035267400000000, -0.0047272900000000 ] - [ -0.0000403600000000, -0.0000118800000000, 0.0004640600000000 ] - [ 0.0000417800000000, -0.0010890100000000, 0.0015351000000000 ] - [ 0.0000006500000000, -0.0002193800000000, 0.0005487800000000 ] - [ 0.0000661100000000, -0.0001554700000000, 0.0008127800000000 ] - [ 0.0000354600000000, 0.0003901500000000, 0.0006450200000000 ] - [ -0.0000266100000000, -0.0002501000000000, 0.0003841800000000 ] - [ -0.0000770400000000, 0.0000691900000000, 0.0005924000000000 ] - [ -0.0000228200000000, -0.0003181000000000, 0.0006566500000000 ] - [ 0.0000574100000000, 0.0004061300000000, -0.0005060800000000 ] - [ -0.0001555400000000, -0.0000940900000000, 0.0006859000000000 ] - [ -0.0003135600000000, -0.0002663300000000, 0.0005927300000000 ] - [ -0.0014177500000000, -0.0015274600000000, -0.0001218200000000 ] - [ 0.0020693800000000, 0.0086047900000000, -0.0039777500000000 ] - [ -0.0002615100000000, -0.0019783900000000, 0.0024547000000000 ] - [ 0.0029566600000000, -0.0024068400000000, -0.0008067200000000 ] - [ 0.0001767500000000, -0.0002439200000000, 0.0007675100000000 ] - [ -0.0000372700000000, -0.0002287400000000, 0.0001981000000000 ] - [ -0.0004804400000000, 0.0022127200000000, 0.0025349800000000 ] - [ 0.0000594200000000, -0.0001816100000000, 0.0005162400000000 ] - [ -0.0000603900000000, -0.0002375600000000, 0.0005593000000000 ] - [ 0.0000933000000000, -0.0001103500000000, 0.0004476000000000 ] - [ 0.0001896400000000, -0.0001155300000000, 0.0006467100000000 ] - [ 0.0000762700000000, 0.0019666200000000, -0.0003648000000000 ] - [ -0.0012919400000000, 0.0013775300000000, -0.0002401000000000 ] - [ 0.0000346900000000, -0.0002240400000000, 0.0020188900000000 ] - [ -0.0003778300000000, -0.0000474800000000, 0.0022602700000000 ] - [ -0.0000161300000000, -0.0004680700000000, 0.0016752400000000 ] - [ 0.0199637400000000, 0.0020920000000000, 0.0479241700000000 ] - [ 0.0397848400000000, 0.0018398300000000, -0.4395331000000000 ] - [ 0.0108574100000000, -0.0007329100000000, -0.0084409800000000 ] - [ 0.0003919200000000, -0.0003945400000000, -0.0018955500000000 ] - [ -0.0006605800000000, -0.0001385400000000, 0.0021365000000000 ] - [ 0.0124103000000000, 0.0006418100000000, -0.0041493200000000 ] - [ 0.0000155700000000, -0.0002475900000000, 0.0015556700000000 ] - [ 0.0001660600000000, -0.0004371000000000, 0.0026137500000000 ] - [ -0.0000467200000000, -0.0002154900000000, 0.0019928400000000 ] - [ -0.0003889200000000, 0.0004302800000000, -0.0006351400000000 ] - [ -0.0000605700000000, 0.0008574300000000, -0.0026791300000000 ] - [ -0.0009123400000000, -0.0003027300000000, -0.0012145300000000 ] - [ -0.0001973600000000, 0.0000448500000000, 0.0033742700000000 ] - [ -0.0004074100000000, 0.0012092500000000, -0.0008326500000000 ] - [ -0.0065607400000000, 0.0000122000000000, 0.0136099000000000 ] - [ 0.0001673600000000, 0.0008249800000000, -0.0004386300000000 ] - [ 0.0002959900000000, 0.0016399500000000, 0.0024184900000000 ] - [ 0.0003990400000000, -0.0010067500000000, -0.0015624400000000 ] - [ -0.0001009000000000, 0.0004249900000000, -0.0010240300000000 ] - [ -0.0001840200000000, -0.0009092500000000, -0.0002697000000000 ] - [ 0.0002069700000000, 0.0001313400000000, -0.0000956200000000 ] - [ 0.0000178900000000, -0.0002352800000000, -0.0003868800000000 ] - [ -0.0011552100000000, 0.0004825200000000, -0.0017593900000000 ] - [ 0.0005067700000000, -0.0012650300000000, 0.0007216700000000 ] - [ 0.0000602200000000, -0.0002212900000000, -0.0006097700000000 ] - [ 0.0001842400000000, -0.0003824500000000, -0.0003090600000000 ] - [ -0.0000628300000000, -0.0001294000000000, 0.0001094600000000 ] - [ 0.0004658100000000, -0.0007969300000000, -0.0020050300000000 ] - [ 0.0015363400000000, 0.0011382900000000, 0.0009567200000000 ] - [ 0.0141949200000000, -0.0025604400000000, 0.0361825500000000 ] - [ -0.0000437000000000, -0.0012055800000000, 0.0031713400000000 ] - [ -0.0306566200000000, 0.0717944900000000, 0.0760746500000000 ] - [ 0.0008830800000000, -0.0000674200000000, -0.0037092200000000 ] - [ 0.0008170700000000, -0.0001547200000000, -0.0029182200000000 ] - [ -0.0202038900000000, 0.0004189900000000, -0.0019599800000000 ] - [ 0.0001836700000000, -0.0012706300000000, 0.0004646500000000 ] - [ -0.0011057500000000, -0.0000814900000000, -0.0043279500000000 ] - [ 0.0011174600000000, -0.0026689300000000, 0.0026205300000000 ] - [ -0.0647252600000000, -0.0904228500000000, 0.1030380000000000 ] - [ 0.0011063800000000, 0.0000034000000000, 0.0027248500000000 ] - [ 0.0000809300000000, -0.0010040500000000, -0.0006969600000000 ] - [ -0.0003609700000000, -0.0005612300000000, -0.0009064100000000 ] - [ 0.0011495000000000, 0.0003112900000000, -0.0018441500000000 ] - [ 0.0007297900000000, -0.0001201200000000, -0.0009802600000000 ] - [ 0.0004262300000000, 0.0006187000000000, -0.0021022800000000 ] - [ -0.0017101000000000, -0.0002988900000000, 0.0042782700000000 ] - [ -0.0006702400000000, -0.0003610800000000, -0.0029184800000000 ] - [ 0.0246096900000000, 0.0111242000000000, 0.1717948500000000 ] - [ 0.0002828800000000, 0.0012597000000000, -0.0009880600000000 ] - [ -0.0004663000000000, 0.0002577200000000, -0.0013919500000000 ] - [ 0.0023820200000000, -0.0080220800000000, -0.0079568500000000 ] - [ 0.0008664300000000, 0.0000941200000000, 0.0001859700000000 ] - [ 0.0004388400000000, -0.0007248100000000, -0.0009162100000000 ] - [ -0.0002921300000000, 0.0016469400000000, -0.0005140600000000 ] - [ -0.0001742800000000, -0.0013217600000000, -0.0006939400000000 ] - [ -0.0004340300000000, -0.0006444500000000, -0.0012325000000000 ] - [ 0.0003290500000000, 0.0081888400000000, -0.0076436200000000 ] - [ -0.0004405300000000, -0.0007665900000000, -0.0007803100000000 ] - [ -0.0002175000000000, 0.0017461900000000, 0.0004894000000000 ] - [ 0.0004074600000000, 0.0007220200000000, 0.0026032700000000 ] - [ 0.0001213200000000, 0.0007181900000000, -0.0013759000000000 ]- atom: 53 displacement: [ 0.0000185648863736, 0.0000000000000000, -0.0099999827672348 ] forces: - [ 0.0000332800000000, 0.0000890800000000, -0.0006027900000000 ] - [ -0.0002946900000000, -0.0004050800000000, -0.0009040700000000 ] - [ 0.0098916600000000, -0.0007541200000000, -0.0076103300000000 ] - [ 0.0015130300000000, 0.0003693700000000, -0.0019459200000000 ] - [ -0.0040178100000000, 0.0000476000000000, -0.0075815100000000 ] - [ -0.0005319300000000, 0.0000714800000000, 0.0010133800000000 ] - [ 0.0000231100000000, -0.0000864600000000, 0.0008669600000000 ] - [ -0.0005616700000000, -0.0001618700000000, -0.0018369300000000 ] - [ -0.0010443000000000, -0.0015559600000000, 0.0003159900000000 ] - [ -0.0010719800000000, 0.0018484200000000, 0.0004209100000000 ] - [ -0.0000217100000000, -0.0000492700000000, 0.0011517600000000 ] - [ 0.0000162600000000, 0.0002753100000000, 0.0013817400000000 ] - [ 0.0017676200000000, -0.0007056500000000, 0.0008989000000000 ] - [ 0.0001060400000000, -0.0003057000000000, -0.0003297200000000 ] - [ -0.0016138000000000, 0.0110174700000000, 0.0003134500000000 ] - [ -0.0001265600000000, -0.0001264800000000, -0.0008275100000000 ] - [ 0.0000228600000000, 0.0000449300000000, -0.0006356700000000 ] - [ -0.0001492600000000, -0.0010980000000000, -0.0015700100000000 ] - [ 0.0022769100000000, 0.0017347100000000, -0.0003907100000000 ] - [ -0.0041989100000000, -0.0038719400000000, 0.0009973500000000 ] - [ 0.0099495400000000, -0.0040017400000000, -0.0033847200000000 ] - [ -0.0001305500000000, -0.0000118000000000, -0.0004079600000000 ] - [ 0.0000577700000000, 0.0000521600000000, -0.0004901500000000 ] - [ -0.0055700100000000, -0.0031688100000000, 0.0048236900000000 ] - [ 0.0000544700000000, 0.0001114200000000, -0.0005050900000000 ] - [ -0.0001335200000000, 0.0007971100000000, -0.0017319500000000 ] - [ -0.0000368200000000, -0.0002324300000000, -0.0005208000000000 ] - [ -0.0000188200000000, -0.0002624400000000, -0.0003476800000000 ] - [ 0.0001068500000000, -0.0002169500000000, -0.0004381900000000 ] - [ 0.0000258900000000, -0.0003921900000000, -0.0004892900000000 ] - [ -0.0001786700000000, -0.0001005700000000, -0.0004375900000000 ] - [ 0.0000993900000000, 0.0002379800000000, -0.0004417000000000 ] - [ -0.0000819000000000, -0.0000842400000000, 0.0000290000000000 ] - [ 0.0000939400000000, 0.0000212100000000, -0.0005310500000000 ] - [ 0.0000455600000000, -0.0002876800000000, -0.0006575600000000 ] - [ 0.0013610800000000, 0.0015826900000000, -0.0000448100000000 ] - [ -0.0018178900000000, -0.0086548200000000, 0.0039571900000000 ] - [ 0.0001552700000000, 0.0023499100000000, -0.0027891200000000 ] - [ -0.0029591800000000, 0.0023820100000000, 0.0008036300000000 ] - [ 0.0001017300000000, -0.0000943900000000, -0.0005744600000000 ] - [ 0.0000123800000000, -0.0001144600000000, -0.0006156900000000 ] - [ 0.0004499000000000, -0.0021585200000000, -0.0027671800000000 ] - [ -0.0000070000000000, -0.0001890800000000, -0.0004077900000000 ] - [ 0.0000638300000000, -0.0003097800000000, -0.0004263800000000 ] - [ 0.0000020800000000, 0.0001959600000000, -0.0002746500000000 ] - [ -0.0000783000000000, 0.0002483700000000, -0.0008896500000000 ] - [ -0.0000513800000000, -0.0016119300000000, 0.0003369300000000 ] - [ 0.0011738100000000, -0.0015500800000000, 0.0000819500000000 ] - [ 0.0004603100000000, -0.0002598500000000, -0.0016051100000000 ] - [ 0.0009058300000000, -0.0001548500000000, -0.0019792500000000 ] - [ -0.0005121800000000, 0.0002450600000000, -0.0019065800000000 ] - [ -0.0202792500000000, -0.0019183000000000, -0.0478574400000000 ] - [ -0.0336717500000000, 0.0008914300000000, 0.4509795900000000 ] - [ -0.0103823000000000, 0.0009157200000000, 0.0088314700000000 ] - [ -0.0007747600000000, 0.0005906400000000, 0.0015099400000000 ] - [ 0.0002329900000000, -0.0000701200000000, -0.0024435500000000 ] - [ -0.0127888300000000, -0.0004667200000000, 0.0037606700000000 ] - [ 0.0001201700000000, 0.0000501900000000, -0.0019474300000000 ] - [ 0.0000090200000000, 0.0000675100000000, -0.0028917400000000 ] - [ -0.0001652400000000, -0.0004316400000000, -0.0015693100000000 ] - [ 0.0002077300000000, -0.0000502100000000, 0.0009169500000000 ] - [ 0.0005209700000000, -0.0006621100000000, 0.0029939800000000 ] - [ 0.0009174500000000, 0.0004424700000000, 0.0005168900000000 ] - [ -0.0000702800000000, -0.0002731000000000, -0.0027728400000000 ] - [ 0.0002150600000000, -0.0011532100000000, 0.0007408100000000 ] - [ 0.0064578700000000, 0.0001819500000000, -0.0139103800000000 ] - [ -0.0003812700000000, -0.0007699600000000, 0.0005073900000000 ] - [ -0.0003894800000000, -0.0014339200000000, -0.0026801900000000 ] - [ -0.0004956900000000, 0.0004679700000000, 0.0017917600000000 ] - [ 0.0002160500000000, -0.0006972000000000, 0.0007639900000000 ] - [ -0.0000073300000000, 0.0009198100000000, 0.0004518900000000 ] - [ -0.0003280500000000, 0.0000529000000000, 0.0009945700000000 ] - [ -0.0001581400000000, -0.0002183300000000, 0.0008997500000000 ] - [ 0.0002835900000000, -0.0006845100000000, 0.0009383100000000 ] - [ -0.0004217200000000, 0.0015545200000000, -0.0009477400000000 ] - [ 0.0000657300000000, -0.0002086000000000, 0.0001197800000000 ] - [ -0.0001467800000000, 0.0008391400000000, 0.0003794400000000 ] - [ -0.0000370700000000, -0.0000755000000000, 0.0003917600000000 ] - [ -0.0002297900000000, 0.0007113500000000, 0.0020785600000000 ] - [ -0.0015487300000000, -0.0009685500000000, -0.0007265000000000 ] - [ -0.0145062400000000, 0.0029428400000000, -0.0361709400000000 ] - [ 0.0001370700000000, 0.0013144400000000, -0.0030404600000000 ] - [ 0.0295962400000000, -0.0699510100000000, -0.0767268000000000 ] - [ -0.0010315300000000, -0.0001510300000000, 0.0036159800000000 ] - [ -0.0006324600000000, -0.0000626100000000, 0.0029895500000000 ] - [ 0.0204455300000000, -0.0002286400000000, 0.0015024800000000 ] - [ 0.0000692100000000, 0.0013147900000000, -0.0005831200000000 ] - [ 0.0009820800000000, -0.0003863700000000, 0.0043215700000000 ] - [ -0.0012447000000000, 0.0029303000000000, -0.0023964900000000 ] - [ 0.0625386900000000, 0.0881486000000000, -0.1027525600000000 ] - [ -0.0009856200000000, 0.0004522500000000, -0.0026955500000000 ] - [ -0.0003380700000000, 0.0009248400000000, 0.0007918300000000 ] - [ 0.0003608500000000, 0.0004086800000000, 0.0011607200000000 ] - [ -0.0002778300000000, -0.0008459700000000, 0.0009044400000000 ] - [ -0.0005778300000000, -0.0000966700000000, 0.0005680800000000 ] - [ -0.0004094200000000, -0.0007852000000000, 0.0022039000000000 ] - [ 0.0018612500000000, 0.0005109900000000, -0.0041622600000000 ] - [ 0.0007517600000000, -0.0000926400000000, 0.0028386900000000 ] - [ -0.0271829500000000, -0.0119137900000000, -0.1821319400000000 ] - [ -0.0002857400000000, -0.0013899600000000, 0.0007585500000000 ] - [ 0.0007227300000000, -0.0003567100000000, 0.0013144600000000 ] - [ -0.0024387100000000, 0.0085232400000000, 0.0080828200000000 ] - [ -0.0007480000000000, 0.0003487700000000, -0.0006989000000000 ] - [ -0.0001013200000000, 0.0006336100000000, 0.0009093700000000 ] - [ 0.0003289900000000, -0.0014226700000000, 0.0003713300000000 ] - [ 0.0002391700000000, 0.0007927600000000, 0.0005839800000000 ] - [ 0.0005056800000000, 0.0004323500000000, 0.0014404000000000 ] - [ -0.0001255600000000, -0.0082496200000000, 0.0077506400000000 ] - [ 0.0000797300000000, 0.0005394000000000, 0.0009379000000000 ] - [ 0.0002195400000000, -0.0015871000000000, -0.0002930600000000 ] - [ -0.0002782000000000, -0.0001900600000000, -0.0028981400000000 ] - [ -0.0002060600000000, -0.0008565400000000, 0.0011899100000000 ]- atom: 65 displacement: [ 0.0099999995909515, 0.0000000000000000, -0.0000028602394792 ] forces: - [ 0.0000355900000000, 0.0001267300000000, 0.0003678200000000 ] - [ -0.0003162400000000, -0.0002712600000000, 0.0001728500000000 ] - [ 0.0003095000000000, 0.0002706300000000, 0.0000726500000000 ] - [ -0.0006264400000000, 0.0000343200000000, -0.0002981800000000 ] - [ -0.0000737900000000, -0.0001207600000000, -0.0000508100000000 ] - [ -0.0008617100000000, -0.0001222400000000, -0.0015618700000000 ] - [ 0.0005822600000000, -0.0004338100000000, 0.0008028100000000 ] - [ 0.0012252900000000, -0.0010439600000000, 0.0001588700000000 ] - [ 0.0001594400000000, -0.0001681300000000, -0.0005740500000000 ] - [ 0.0028581500000000, -0.0007671500000000, 0.0014784000000000 ] - [ 0.0000898000000000, 0.0004619600000000, 0.0002168500000000 ] - [ -0.0000452300000000, -0.0000824000000000, 0.0003563200000000 ] - [ -0.0000789200000000, 0.0000549300000000, 0.0000694600000000 ] - [ 0.0000541700000000, -0.0000296400000000, 0.0001782300000000 ] - [ 0.0000104000000000, 0.0000650700000000, -0.0002975900000000 ] - [ -0.0001158100000000, 0.0001156000000000, 0.0000334800000000 ] - [ 0.0000156000000000, -0.0001687100000000, 0.0000013500000000 ] - [ -0.0001303100000000, -0.0006599700000000, -0.0001558600000000 ] - [ -0.0000139200000000, 0.0000586800000000, 0.0001018300000000 ] - [ -0.0000333500000000, 0.0002821300000000, 0.0000856100000000 ] - [ -0.0001687900000000, 0.0001693100000000, 0.0002216300000000 ] - [ 0.0031510600000000, -0.0002462800000000, -0.0011805800000000 ] - [ -0.0005199100000000, 0.0001064900000000, -0.0001449800000000 ] - [ 0.0000888800000000, 0.0001704900000000, -0.0000114000000000 ] - [ 0.0000205700000000, -0.0001367000000000, -0.0000091000000000 ] - [ 0.0008341800000000, 0.0011976800000000, 0.0000126200000000 ] - [ 0.0001673900000000, -0.0001097900000000, -0.0000716300000000 ] - [ -0.0000561500000000, -0.0001037000000000, 0.0002492600000000 ] - [ 0.0007971600000000, -0.0000004100000000, -0.0001029900000000 ] - [ 0.0000407300000000, -0.0001088800000000, -0.0001203500000000 ] - [ -0.0001288600000000, -0.0002732600000000, 0.0002220900000000 ] - [ 0.0065900100000000, 0.0024456500000000, 0.0004832600000000 ] - [ -0.0000008100000000, 0.0001699100000000, -0.0001432100000000 ] - [ 0.0001015800000000, -0.0002074100000000, 0.0002386800000000 ] - [ 0.0000404700000000, -0.0000307300000000, 0.0001960800000000 ] - [ -0.0008890400000000, -0.0001372100000000, -0.0002723300000000 ] - [ 0.0000809400000000, 0.0000286000000000, -0.0001954100000000 ] - [ -0.0000638100000000, 0.0001256200000000, -0.0000210200000000 ] - [ -0.0000238700000000, -0.0000188900000000, 0.0000753900000000 ] - [ 0.0000509200000000, 0.0000526000000000, 0.0000482500000000 ] - [ -0.0003865200000000, 0.0013928700000000, -0.0013785500000000 ] - [ 0.0000094800000000, 0.0001531200000000, 0.0000625900000000 ] - [ 0.0000503000000000, -0.0003507500000000, 0.0005314000000000 ] - [ -0.0002362900000000, -0.0004733900000000, 0.0001128200000000 ] - [ 0.0000338200000000, -0.0000244000000000, 0.0001823900000000 ] - [ -0.0000924900000000, -0.0000830400000000, 0.0000274600000000 ] - [ -0.0000053400000000, 0.0001716700000000, 0.0000301600000000 ] - [ -0.0007296300000000, 0.0002357200000000, -0.0003345100000000 ] - [ 0.0001077800000000, -0.0000862000000000, 0.0006064000000000 ] - [ 0.0003842800000000, -0.0002011800000000, -0.0001715200000000 ] - [ -0.0091840200000000, 0.0037498200000000, -0.0006497200000000 ] - [ 0.0016824100000000, 0.0011153700000000, -0.0004333300000000 ] - [ -0.0001309700000000, 0.0002283000000000, -0.0004124700000000 ] - [ 0.0022855400000000, -0.0021712600000000, 0.0008869000000000 ] - [ -0.0003286100000000, 0.0001614500000000, 0.0001443300000000 ] - [ -0.0012749200000000, -0.0017163500000000, -0.0006483500000000 ] - [ -0.0003559800000000, 0.0001212700000000, 0.0003757600000000 ] - [ 0.0732853800000000, 0.0672082600000000, -0.0425393600000000 ] - [ -0.0010375000000000, -0.0000326000000000, 0.0001843400000000 ] - [ -0.0008636100000000, -0.0010940500000000, 0.0002908000000000 ] - [ 0.0004532100000000, 0.0004004800000000, 0.0004344500000000 ] - [ -0.0000792400000000, -0.0000859900000000, 0.0007613700000000 ] - [ 0.0000773400000000, 0.0001161500000000, -0.0000157100000000 ] - [ 0.0001606200000000, -0.0000873900000000, 0.0004938100000000 ] - [ -0.0787963000000000, -0.0850795800000000, 0.0423472900000000 ] - [ 0.0000438400000000, 0.0002035100000000, -0.0010620200000000 ] - [ -0.0000901700000000, -0.0001277400000000, -0.0001770100000000 ] - [ 0.0005369400000000, 0.0001706700000000, -0.0001477700000000 ] - [ 0.0002681600000000, -0.0016817300000000, -0.0010250200000000 ] - [ -0.0006371900000000, 0.0011607600000000, -0.0008083700000000 ] - [ -0.0001443000000000, 0.0000991000000000, -0.0000889600000000 ] - [ -0.0000077100000000, 0.0001136000000000, 0.0001492300000000 ] - [ 0.0017767300000000, -0.0002629100000000, 0.0003236800000000 ] - [ 0.0000050700000000, 0.0000885600000000, -0.0002771600000000 ] - [ 0.0000489400000000, -0.0000121700000000, -0.0002499500000000 ] - [ -0.0001352700000000, -0.0002222200000000, -0.0002150900000000 ] - [ 0.0000320600000000, 0.0002922300000000, -0.0002163400000000 ] - [ 0.0127869000000000, 0.0113244400000000, -0.0070689300000000 ] - [ 0.0001416600000000, -0.0000030100000000, -0.0001248200000000 ] - [ 0.0000138900000000, 0.0003054000000000, -0.0000322300000000 ] - [ 0.0002707800000000, 0.0002202700000000, 0.0002302100000000 ] - [ -0.0002007700000000, -0.0001511400000000, 0.0003342000000000 ] - [ -0.0000634600000000, 0.0000523800000000, -0.0000841000000000 ] - [ -0.0003073100000000, -0.0002060600000000, 0.0006512900000000 ] - [ 0.0008351200000000, -0.0002994900000000, -0.0007397200000000 ] - [ -0.0027791000000000, 0.0002258000000000, -0.0000002600000000 ] - [ 0.0002963800000000, 0.0005566300000000, 0.0005792100000000 ] - [ -0.0001434400000000, -0.0002180500000000, -0.0004969600000000 ] - [ 0.0003903100000000, 0.0001148800000000, -0.0001361100000000 ] - [ -0.0001514900000000, 0.0003003600000000, 0.0001875800000000 ] - [ -0.0000589500000000, 0.0002273800000000, -0.0003002500000000 ] - [ 0.0019025800000000, 0.0004420800000000, 0.0014047100000000 ] - [ -0.0000017900000000, 0.0000592100000000, 0.0000826900000000 ] - [ 0.0006173900000000, -0.0000205000000000, 0.0001103400000000 ] - [ -0.0002313900000000, -0.0001201200000000, -0.0003808200000000 ] - [ 0.0000200300000000, -0.0002657100000000, -0.0001105600000000 ] - [ 0.0001918500000000, 0.0001282000000000, -0.0004003100000000 ] - [ -0.0067485700000000, -0.0045323000000000, -0.0072441200000000 ] - [ 0.0000891200000000, 0.0001897200000000, 0.0006459300000000 ] - [ 0.0039601100000000, -0.0035268100000000, 0.0011565400000000 ] - [ 0.0001400900000000, -0.0000863200000000, -0.0001333300000000 ] - [ 0.0002267600000000, 0.0004801200000000, 0.0002040200000000 ] - [ -0.0001894300000000, 0.0002305700000000, -0.0011414100000000 ] - [ -0.0000812500000000, -0.0007080600000000, -0.0003109000000000 ] - [ -0.0000124500000000, -0.0000208400000000, -0.0002240800000000 ] - [ -0.0134208700000000, 0.0057936100000000, 0.0137993000000000 ] - [ 0.0013323500000000, 0.0034447300000000, 0.0031055900000000 ] - [ 0.0007738400000000, -0.0025506400000000, 0.0019265300000000 ] - [ -0.0000148400000000, -0.0003589800000000, 0.0000517200000000 ] - [ 0.0010313200000000, 0.0041274200000000, -0.0029167300000000 ] - [ -0.0003859800000000, 0.0002824000000000, -0.0000642700000000 ] - [ -0.0001123500000000, 0.0004773500000000, -0.0002863600000000 ]- atom: 65 displacement: [ -0.0099999995909515, 0.0000000000000000, 0.0000028602394792 ] forces: - [ -0.0000087400000000, 0.0001272500000000, 0.0000420000000000 ] - [ -0.0002051900000000, -0.0003338100000000, -0.0002910200000000 ] - [ 0.0002081000000000, 0.0002864600000000, -0.0000224600000000 ] - [ 0.0006035200000000, 0.0002249300000000, -0.0001314300000000 ] - [ 0.0000373500000000, -0.0001338300000000, -0.0003151700000000 ] - [ 0.0003431100000000, 0.0006961900000000, 0.0014615600000000 ] - [ -0.0006522700000000, 0.0002287100000000, -0.0003182700000000 ] - [ -0.0007015600000000, 0.0004525100000000, -0.0000312100000000 ] - [ -0.0001352700000000, 0.0004166600000000, 0.0006087900000000 ] - [ -0.0027313700000000, 0.0010502000000000, -0.0013146700000000 ] - [ -0.0000873100000000, 0.0000946600000000, -0.0003017100000000 ] - [ 0.0000489300000000, 0.0000519100000000, -0.0003909200000000 ] - [ -0.0001793000000000, 0.0000318600000000, 0.0000151900000000 ] - [ 0.0000852000000000, -0.0001024800000000, 0.0000014200000000 ] - [ 0.0000991300000000, 0.0001075000000000, 0.0001260100000000 ] - [ -0.0000587000000000, 0.0000772100000000, -0.0001941200000000 ] - [ 0.0001054300000000, -0.0000008500000000, -0.0001697900000000 ] - [ 0.0000977700000000, 0.0004473900000000, 0.0001178300000000 ] - [ -0.0000960500000000, 0.0000883000000000, 0.0000500500000000 ] - [ 0.0000351000000000, 0.0002979600000000, -0.0000102700000000 ] - [ 0.0001909100000000, 0.0001627700000000, 0.0002395800000000 ] - [ -0.0032710400000000, 0.0000590500000000, 0.0013462000000000 ] - [ 0.0005239200000000, -0.0000712400000000, 0.0001718700000000 ] - [ -0.0001261400000000, 0.0001968700000000, 0.0000007200000000 ] - [ -0.0000232500000000, 0.0001770900000000, -0.0000127700000000 ] - [ -0.0007498200000000, -0.0015729400000000, -0.0002305400000000 ] - [ -0.0002035200000000, -0.0002530000000000, 0.0000884000000000 ] - [ 0.0000789900000000, -0.0002205300000000, 0.0002244200000000 ] - [ -0.0006260900000000, 0.0001965300000000, 0.0002596400000000 ] - [ -0.0000429900000000, -0.0004569500000000, 0.0000460600000000 ] - [ -0.0001302800000000, 0.0002303700000000, -0.0001012400000000 ] - [ -0.0069902400000000, -0.0028304700000000, -0.0003571700000000 ] - [ -0.0000185500000000, 0.0001681000000000, -0.0003230300000000 ] - [ 0.0000200400000000, -0.0000900100000000, -0.0000358400000000 ] - [ -0.0000022600000000, -0.0001642800000000, -0.0001500500000000 ] - [ 0.0008032900000000, 0.0002102200000000, 0.0000760900000000 ] - [ 0.0001753300000000, 0.0000316100000000, 0.0000759100000000 ] - [ -0.0000586900000000, 0.0001187300000000, -0.0001677600000000 ] - [ 0.0000235500000000, -0.0000365000000000, -0.0000490100000000 ] - [ 0.0002080300000000, -0.0001050200000000, -0.0001690000000000 ] - [ 0.0003629400000000, -0.0017357500000000, 0.0009195400000000 ] - [ -0.0000191000000000, 0.0001261200000000, -0.0000753100000000 ] - [ -0.0000073800000000, -0.0000167300000000, -0.0005408700000000 ] - [ 0.0002384700000000, -0.0000900800000000, -0.0000428000000000 ] - [ 0.0000495500000000, 0.0000585700000000, 0.0000124100000000 ] - [ -0.0000094900000000, -0.0000090700000000, -0.0002030600000000 ] - [ 0.0000364800000000, 0.0002074400000000, -0.0000327200000000 ] - [ 0.0005723900000000, -0.0004192700000000, 0.0001685700000000 ] - [ 0.0002879500000000, -0.0002219800000000, -0.0003741100000000 ] - [ 0.0000893300000000, -0.0000461000000000, 0.0005236100000000 ] - [ 0.0086231300000000, -0.0039896200000000, 0.0002679600000000 ] - [ -0.0018309100000000, -0.0008778900000000, 0.0009544900000000 ] - [ 0.0002692400000000, 0.0002292100000000, 0.0001772800000000 ] - [ -0.0017033400000000, 0.0024225400000000, -0.0005067000000000 ] - [ -0.0002160800000000, 0.0000887500000000, -0.0005087000000000 ] - [ 0.0008525800000000, 0.0014946700000000, 0.0004073100000000 ] - [ -0.0000459200000000, 0.0001535500000000, -0.0006124000000000 ] - [ -0.0737576400000000, -0.0668660900000000, 0.0416419000000000 ] - [ 0.0012094400000000, -0.0003793600000000, -0.0004161200000000 ] - [ 0.0007065000000000, 0.0005796700000000, -0.0001218000000000 ] - [ -0.0006054300000000, 0.0000342200000000, -0.0001991600000000 ] - [ 0.0005165700000000, 0.0003309800000000, -0.0005211100000000 ] - [ 0.0000419300000000, 0.0000943500000000, -0.0005025800000000 ] - [ -0.0002104000000000, -0.0001093100000000, -0.0000106900000000 ] - [ 0.0794849300000000, 0.0848374400000000, -0.0420455700000000 ] - [ -0.0001938000000000, 0.0000023900000000, 0.0008871200000000 ] - [ -0.0001002200000000, 0.0000519800000000, 0.0001134900000000 ] - [ -0.0005713600000000, 0.0000730300000000, -0.0000277500000000 ] - [ -0.0002886300000000, 0.0011156200000000, 0.0011747900000000 ] - [ 0.0007132500000000, -0.0013663000000000, 0.0005343200000000 ] - [ -0.0000892600000000, -0.0000672800000000, 0.0002390700000000 ] - [ -0.0001178400000000, 0.0000883100000000, 0.0003100800000000 ] - [ -0.0019318300000000, -0.0001835900000000, 0.0001968300000000 ] - [ -0.0000049700000000, -0.0003236800000000, 0.0001260300000000 ] - [ 0.0000661400000000, 0.0001822000000000, 0.0000014400000000 ] - [ 0.0003125300000000, -0.0002210900000000, -0.0003045600000000 ] - [ 0.0000111800000000, 0.0001840500000000, 0.0001277900000000 ] - [ -0.0129137500000000, -0.0113464900000000, 0.0074599000000000 ] - [ 0.0000754900000000, 0.0000388100000000, 0.0001731700000000 ] - [ 0.0001022600000000, -0.0000065300000000, 0.0002666000000000 ] - [ -0.0004244900000000, 0.0002256800000000, 0.0002936400000000 ] - [ 0.0002606200000000, 0.0001969600000000, -0.0001517700000000 ] - [ -0.0000181000000000, -0.0000298000000000, -0.0000900200000000 ] - [ 0.0001765300000000, -0.0000021900000000, -0.0008367400000000 ] - [ -0.0006988400000000, 0.0000941500000000, 0.0009101400000000 ] - [ 0.0028855200000000, -0.0000290800000000, -0.0004629400000000 ] - [ -0.0000694400000000, -0.0005317300000000, -0.0007358200000000 ] - [ 0.0000106000000000, -0.0002248700000000, 0.0004268500000000 ] - [ -0.0004815200000000, 0.0000859900000000, 0.0004079200000000 ] - [ 0.0000152700000000, 0.0003147000000000, 0.0000874200000000 ] - [ 0.0001997200000000, 0.0002245200000000, 0.0003871900000000 ] - [ -0.0021207300000000, -0.0004553800000000, -0.0012454800000000 ] - [ -0.0000057000000000, -0.0002253600000000, 0.0001116800000000 ] - [ -0.0005866200000000, -0.0005348900000000, -0.0002674400000000 ] - [ 0.0003438900000000, -0.0000699800000000, -0.0001797000000000 ] - [ -0.0000605800000000, -0.0002644500000000, 0.0001759300000000 ] - [ -0.0000573000000000, 0.0000780800000000, 0.0005842700000000 ] - [ 0.0069240000000000, 0.0040663600000000, 0.0074179000000000 ] - [ -0.0002051200000000, 0.0002545900000000, -0.0006859400000000 ] - [ -0.0039817300000000, 0.0033610400000000, -0.0013386300000000 ] - [ 0.0000852700000000, 0.0000533600000000, -0.0000158100000000 ] - [ -0.0002591000000000, 0.0000062600000000, -0.0001288600000000 ] - [ 0.0003282800000000, 0.0002113900000000, 0.0006220000000000 ] - [ 0.0001136100000000, 0.0006924400000000, 0.0005407300000000 ] - [ 0.0000063200000000, 0.0001761300000000, 0.0000442700000000 ] - [ 0.0135056200000000, -0.0063686700000000, -0.0138262700000000 ] - [ -0.0013495000000000, -0.0037068100000000, -0.0029767100000000 ] - [ -0.0005590000000000, 0.0024694700000000, -0.0018418800000000 ] - [ -0.0000498800000000, 0.0001863500000000, 0.0002330200000000 ] - [ -0.0010308400000000, -0.0039690700000000, 0.0031059600000000 ] - [ 0.0004501500000000, 0.0002874000000000, -0.0001456100000000 ] - [ 0.0000591000000000, -0.0005493800000000, 0.0000787000000000 ]- atom: 65 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001201000000000, 0.0001850500000000, 0.0010199400000000 ] - [ -0.0005329600000000, -0.0000986700000000, 0.0007549700000000 ] - [ 0.0002764200000000, 0.0003509700000000, 0.0004007700000000 ] - [ 0.0000173200000000, -0.0002087300000000, -0.0007162600000000 ] - [ -0.0000354700000000, -0.0001080200000000, 0.0001616400000000 ] - [ -0.0000660300000000, 0.0014090800000000, -0.0010553700000000 ] - [ 0.0010461500000000, 0.0040908700000000, -0.0012702100000000 ] - [ 0.0004551900000000, -0.0058655300000000, -0.0006627400000000 ] - [ -0.0004562900000000, -0.0014646700000000, -0.0020466300000000 ] - [ -0.0002771500000000, 0.0028547300000000, 0.0003822600000000 ] - [ 0.0000344700000000, 0.0000192200000000, -0.0001155300000000 ] - [ -0.0001034800000000, 0.0003537800000000, 0.0002719700000000 ] - [ -0.0001239000000000, 0.0001508500000000, 0.0002547500000000 ] - [ 0.0000602800000000, 0.0000194500000000, 0.0003759900000000 ] - [ 0.0002207600000000, 0.0003729100000000, 0.0003469200000000 ] - [ -0.0001309500000000, 0.0003004000000000, 0.0003059100000000 ] - [ -0.0003208600000000, -0.0008185800000000, -0.0000019200000000 ] - [ -0.0009874400000000, -0.0020891100000000, -0.0002759700000000 ] - [ -0.0000336400000000, -0.0000535100000000, 0.0002245600000000 ] - [ -0.0000042100000000, 0.0004301900000000, 0.0001850400000000 ] - [ 0.0000054200000000, -0.0001546300000000, 0.0003985100000000 ] - [ -0.0000148600000000, 0.0031889500000000, -0.0036441600000000 ] - [ -0.0002691400000000, 0.0008985800000000, -0.0001816300000000 ] - [ -0.0000127400000000, 0.0000344300000000, 0.0002267100000000 ] - [ 0.0002122300000000, -0.0007249500000000, -0.0000134300000000 ] - [ 0.0051138400000000, 0.0023249200000000, -0.0009956600000000 ] - [ 0.0000230800000000, 0.0000620000000000, -0.0006096800000000 ] - [ 0.0000029600000000, 0.0001585100000000, 0.0001650400000000 ] - [ 0.0014894100000000, -0.0018726400000000, 0.0000918600000000 ] - [ 0.0001166100000000, 0.0004180500000000, -0.0001209100000000 ] - [ -0.0000373100000000, -0.0018883200000000, 0.0002813100000000 ] - [ -0.0005994600000000, 0.0032860800000000, 0.0002107400000000 ] - [ -0.0000225400000000, 0.0002503400000000, -0.0000619500000000 ] - [ 0.0001195700000000, -0.0006064500000000, 0.0007749200000000 ] - [ 0.0000410300000000, 0.0002169400000000, 0.0005504200000000 ] - [ 0.0000396400000000, 0.0008120400000000, -0.0006585800000000 ] - [ 0.0001458500000000, -0.0001889500000000, -0.0000143400000000 ] - [ -0.0000371300000000, 0.0000273200000000, 0.0001894200000000 ] - [ -0.0000242800000000, -0.0001612600000000, 0.0001543500000000 ] - [ 0.0000312000000000, 0.0006813200000000, -0.0002885900000000 ] - [ 0.0009168400000000, -0.0001298200000000, -0.0001134200000000 ] - [ 0.0000094800000000, 0.0002290700000000, 0.0002946300000000 ] - [ -0.0005850400000000, -0.0007486300000000, 0.0003444300000000 ] - [ -0.0000967600000000, -0.0011298000000000, 0.0002161200000000 ] - [ 0.0000230200000000, -0.0000991300000000, 0.0003950800000000 ] - [ -0.0000836600000000, -0.0002849800000000, 0.0002976800000000 ] - [ 0.0000665100000000, 0.0002771400000000, 0.0001230100000000 ] - [ -0.0000405000000000, -0.0006574700000000, -0.0007945300000000 ] - [ 0.0010715900000000, 0.0004721000000000, 0.0018765900000000 ] - [ 0.0005004500000000, -0.0004110800000000, -0.0006876200000000 ] - [ -0.0103491000000000, 0.0011765300000000, 0.0014552500000000 ] - [ -0.0002844400000000, -0.0034536500000000, 0.0015612400000000 ] - [ 0.0001310900000000, 0.0002977600000000, 0.0010366300000000 ] - [ 0.0003902400000000, -0.0037074800000000, 0.0015308600000000 ] - [ -0.0003808300000000, 0.0001112700000000, 0.0004247200000000 ] - [ -0.0004496900000000, -0.0033031700000000, -0.0011246200000000 ] - [ -0.0003536300000000, 0.0001650300000000, 0.0010508600000000 ] - [ 0.0721776300000000, 0.2324854500000000, -0.0980263300000000 ] - [ 0.0000461200000000, -0.0029664300000000, -0.0008935800000000 ] - [ 0.0011617300000000, -0.0000482800000000, 0.0083628600000000 ] - [ -0.0005597400000000, 0.0010013500000000, 0.0008230500000000 ] - [ 0.0000442600000000, -0.0001207300000000, 0.0006983900000000 ] - [ 0.0001701700000000, 0.0001884200000000, 0.0005735400000000 ] - [ -0.0002544800000000, -0.0003038100000000, -0.0004130700000000 ] - [ -0.0871158500000000, -0.2640837400000000, 0.1108013000000000 ] - [ 0.0002536000000000, 0.0002243500000000, -0.0020853900000000 ] - [ -0.0000252800000000, -0.0001780000000000, -0.0006366500000000 ] - [ 0.0000979800000000, -0.0003089200000000, 0.0000100000000000 ] - [ -0.0032317400000000, 0.0031896000000000, 0.0042818400000000 ] - [ -0.0010290900000000, 0.0032576800000000, -0.0013336400000000 ] - [ -0.0002178200000000, 0.0000725200000000, -0.0004294400000000 ] - [ -0.0000086000000000, 0.0000903200000000, -0.0000879000000000 ] - [ 0.0002385100000000, -0.0004046500000000, 0.0004100400000000 ] - [ -0.0001687800000000, 0.0011032100000000, -0.0009361700000000 ] - [ -0.0000100300000000, -0.0003441000000000, -0.0004922500000000 ] - [ -0.0026346300000000, -0.0001325400000000, -0.0007612300000000 ] - [ 0.0001016900000000, 0.0003262500000000, -0.0006342300000000 ] - [ 0.0325394300000000, -0.0051201800000000, 0.0022716900000000 ] - [ 0.0001153200000000, 0.0006263300000000, -0.0001855200000000 ] - [ -0.0001473500000000, 0.0005745900000000, -0.0004355600000000 ] - [ -0.0000820400000000, 0.0002544500000000, 0.0001003100000000 ] - [ -0.0000524800000000, 0.0000519300000000, 0.0006561700000000 ] - [ 0.0000330200000000, -0.0004188600000000, -0.0004566600000000 ] - [ -0.0006576500000000, -0.0003130600000000, 0.0016423300000000 ] - [ 0.0011062400000000, -0.0003103700000000, -0.0025749100000000 ] - [ 0.0001220800000000, 0.0007077000000000, -0.0006630000000000 ] - [ 0.0006089300000000, 0.0026448500000000, 0.0014456700000000 ] - [ 0.0003765500000000, -0.0004190700000000, 0.0014635200000000 ] - [ -0.0000900800000000, 0.0004691000000000, 0.0000487200000000 ] - [ 0.0001607700000000, 0.0007531300000000, -0.0004091900000000 ] - [ -0.0002205200000000, 0.0002075800000000, -0.0011993400000000 ] - [ 0.0005127300000000, 0.0019369800000000, 0.0014313100000000 ] - [ 0.0000174700000000, 0.0005734200000000, -0.0000701300000000 ] - [ 0.0012175900000000, 0.0023219700000000, -0.0023418700000000 ] - [ -0.0000348500000000, -0.0001307300000000, -0.0004813400000000 ] - [ -0.0000505600000000, -0.0006387400000000, -0.0001907600000000 ] - [ 0.0002843600000000, 0.0001098700000000, -0.0008086900000000 ] - [ -0.0090155300000000, -0.0065914900000000, -0.0273229500000000 ] - [ -0.0004264000000000, 0.0002046900000000, -0.0020215000000000 ] - [ 0.0034743900000000, -0.0052226000000000, 0.0011153900000000 ] - [ 0.0001920700000000, -0.0003815100000000, -0.0002881800000000 ] - [ -0.0004355600000000, 0.0028209100000000, 0.0016894600000000 ] - [ 0.0003823500000000, 0.0002722100000000, -0.0001242400000000 ] - [ 0.0006970900000000, -0.0033766000000000, -0.0010723600000000 ] - [ -0.0000508600000000, 0.0000236600000000, -0.0005023500000000 ] - [ -0.0099486600000000, 0.0280168900000000, 0.0115912800000000 ] - [ 0.0036569100000000, 0.0043736900000000, 0.0049433100000000 ] - [ -0.0024116600000000, 0.0038862800000000, -0.0032090000000000 ] - [ -0.0002892900000000, -0.0017268000000000, -0.0003224900000000 ] - [ 0.0024448700000000, 0.0033649200000000, -0.0034734000000000 ] - [ 0.0001428700000000, -0.0011739500000000, -0.0014848200000000 ] - [ 0.0008255500000000, 0.0031842000000000, -0.0008733800000000 ]- atom: 65 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000995700000000, 0.0000674000000000, -0.0005783400000000 ] - [ 0.0000129200000000, -0.0004900400000000, -0.0008795700000000 ] - [ 0.0002414400000000, 0.0002323200000000, -0.0002846100000000 ] - [ -0.0000403000000000, 0.0004581100000000, 0.0002746900000000 ] - [ 0.0000150200000000, -0.0001468700000000, -0.0005908300000000 ] - [ -0.0004364000000000, -0.0008046100000000, 0.0009419400000000 ] - [ -0.0010732100000000, -0.0042978700000000, 0.0017395500000000 ] - [ 0.0000653100000000, 0.0052640000000000, 0.0007989800000000 ] - [ 0.0004913400000000, 0.0016903900000000, 0.0020437600000000 ] - [ 0.0004108000000000, -0.0026370000000000, -0.0000270100000000 ] - [ -0.0000375600000000, 0.0005482600000000, 0.0000358900000000 ] - [ 0.0001060500000000, -0.0003842900000000, -0.0003010100000000 ] - [ -0.0001313000000000, -0.0000709100000000, -0.0001248800000000 ] - [ 0.0000985900000000, -0.0001969500000000, -0.0001992600000000 ] - [ -0.0001119000000000, -0.0001994800000000, -0.0005214500000000 ] - [ -0.0000428000000000, -0.0001042100000000, -0.0004715000000000 ] - [ 0.0004237900000000, 0.0006359900000000, -0.0001707600000000 ] - [ 0.0009302900000000, 0.0018599300000000, 0.0002510500000000 ] - [ -0.0000717200000000, 0.0002254900000000, -0.0000561400000000 ] - [ 0.0000078800000000, 0.0001396400000000, -0.0001046500000000 ] - [ 0.0000141900000000, 0.0004757400000000, 0.0000650400000000 ] - [ -0.0000929000000000, -0.0034089700000000, 0.0036839200000000 ] - [ 0.0002656500000000, -0.0008700600000000, 0.0002075000000000 ] - [ -0.0000209300000000, 0.0003285500000000, -0.0002243900000000 ] - [ -0.0002076900000000, 0.0007510200000000, -0.0000150100000000 ] - [ -0.0051203700000000, -0.0026579800000000, 0.0008154900000000 ] - [ -0.0000561200000000, -0.0004246400000000, 0.0006173400000000 ] - [ 0.0000166200000000, -0.0004782400000000, 0.0003033500000000 ] - [ -0.0012973200000000, 0.0020699100000000, 0.0000737400000000 ] - [ -0.0001207100000000, -0.0009817000000000, 0.0000449000000000 ] - [ -0.0002148900000000, 0.0018135300000000, -0.0001242200000000 ] - [ 0.0004887400000000, -0.0034496900000000, -0.0000369300000000 ] - [ 0.0000016300000000, 0.0000734600000000, -0.0004025100000000 ] - [ -0.0000020900000000, 0.0003180000000000, -0.0005972400000000 ] - [ -0.0000057800000000, -0.0004278900000000, -0.0005260900000000 ] - [ -0.0001400600000000, -0.0007270200000000, 0.0004620800000000 ] - [ 0.0001082500000000, 0.0002601200000000, -0.0001331100000000 ] - [ -0.0000743300000000, 0.0002480500000000, -0.0003600100000000 ] - [ 0.0000202500000000, 0.0001290000000000, -0.0001223400000000 ] - [ 0.0002251100000000, -0.0007514000000000, 0.0001442900000000 ] - [ -0.0009381100000000, -0.0001791500000000, -0.0003662800000000 ] - [ -0.0000301300000000, 0.0000078800000000, -0.0003025000000000 ] - [ 0.0006128400000000, 0.0003855300000000, -0.0003459900000000 ] - [ 0.0001000500000000, 0.0005626700000000, -0.0001408500000000 ] - [ 0.0000654600000000, 0.0001773900000000, -0.0001896600000000 ] - [ -0.0000118800000000, 0.0001965800000000, -0.0004915700000000 ] - [ -0.0000328300000000, 0.0000882200000000, -0.0001297400000000 ] - [ -0.0001366300000000, 0.0004650200000000, 0.0006215200000000 ] - [ -0.0006197700000000, -0.0007077400000000, -0.0016067400000000 ] - [ 0.0000658000000000, 0.0001791000000000, 0.0010489700000000 ] - [ 0.0097337500000000, -0.0013801900000000, -0.0018032500000000 ] - [ 0.0001280800000000, 0.0036246800000000, -0.0010777800000000 ] - [ 0.0000561300000000, 0.0001277500000000, -0.0013039200000000 ] - [ 0.0001978800000000, 0.0039128300000000, -0.0011740100000000 ] - [ -0.0001958600000000, 0.0001192100000000, -0.0007709200000000 ] - [ -0.0000065800000000, 0.0030562300000000, 0.0008521800000000 ] - [ -0.0000907100000000, 0.0000786000000000, -0.0013182800000000 ] - [ -0.0678394800000000, -0.2233159200000000, 0.0920340200000000 ] - [ 0.0001545900000000, 0.0025420200000000, 0.0006234400000000 ] - [ -0.0013614900000000, -0.0004007900000000, -0.0080678100000000 ] - [ 0.0003667700000000, -0.0005723800000000, -0.0005438700000000 ] - [ 0.0003973000000000, 0.0003555500000000, -0.0004220400000000 ] - [ -0.0000142000000000, 0.0000095000000000, -0.0010538700000000 ] - [ 0.0001157300000000, 0.0001112100000000, 0.0009113500000000 ] - [ 0.0828128000000000, 0.2549212500000000, -0.1054014200000000 ] - [ -0.0003830700000000, -0.0000251400000000, 0.0018794500000000 ] - [ -0.0001722000000000, 0.0001285200000000, 0.0005670600000000 ] - [ -0.0001034800000000, 0.0005263800000000, -0.0001789900000000 ] - [ 0.0031939700000000, -0.0037017200000000, -0.0041001100000000 ] - [ 0.0010968600000000, -0.0034821800000000, 0.0010632000000000 ] - [ -0.0000190500000000, -0.0000378800000000, 0.0005668100000000 ] - [ -0.0001021000000000, 0.0001023000000000, 0.0005472000000000 ] - [ -0.0003962100000000, -0.0000363300000000, 0.0001159500000000 ] - [ 0.0001695900000000, -0.0013187700000000, 0.0007730500000000 ] - [ 0.0001046200000000, 0.0005724000000000, 0.0002354000000000 ] - [ 0.0027815500000000, -0.0003074100000000, 0.0002316700000000 ] - [ -0.0000549400000000, 0.0001953500000000, 0.0005316900000000 ] - [ -0.0323403300000000, 0.0047400900000000, -0.0016865900000000 ] - [ 0.0000831300000000, -0.0005814900000000, 0.0002406600000000 ] - [ 0.0001870300000000, -0.0003536400000000, 0.0006235500000000 ] - [ -0.0000761100000000, 0.0001859800000000, 0.0004223100000000 ] - [ 0.0001087900000000, 0.0000393000000000, -0.0004631900000000 ] - [ -0.0001030700000000, 0.0005190000000000, 0.0002751200000000 ] - [ 0.0005314200000000, 0.0001133500000000, -0.0018533300000000 ] - [ -0.0009756200000000, 0.0001090800000000, 0.0027724800000000 ] - [ -0.0000163100000000, -0.0005124900000000, 0.0002119800000000 ] - [ -0.0003726500000000, -0.0026040800000000, -0.0015780000000000 ] - [ -0.0005099700000000, -0.0000152300000000, -0.0015489200000000 ] - [ 0.0000083800000000, -0.0002424400000000, 0.0002104200000000 ] - [ -0.0002333100000000, -0.0002164100000000, 0.0006209700000000 ] - [ 0.0003483800000000, 0.0002288400000000, 0.0012614500000000 ] - [ -0.0007491100000000, -0.0019700600000000, -0.0012800600000000 ] - [ -0.0000137800000000, -0.0007365400000000, 0.0002560200000000 ] - [ -0.0011702400000000, -0.0028253500000000, 0.0021516400000000 ] - [ 0.0001426100000000, -0.0000606400000000, -0.0000115500000000 ] - [ 0.0000008400000000, 0.0000984200000000, 0.0002787400000000 ] - [ -0.0001528800000000, 0.0000903700000000, 0.0010006300000000 ] - [ 0.0089792200000000, 0.0059642100000000, 0.0271628900000000 ] - [ 0.0002966000000000, 0.0002301200000000, 0.0019467800000000 ] - [ -0.0034493400000000, 0.0050287500000000, -0.0012946800000000 ] - [ 0.0000417900000000, 0.0003527100000000, 0.0001406300000000 ] - [ 0.0003909600000000, -0.0022750800000000, -0.0015792800000000 ] - [ -0.0002192300000000, 0.0001694300000000, -0.0004072700000000 ] - [ -0.0006403500000000, 0.0032750400000000, 0.0012652400000000 ] - [ 0.0000462200000000, 0.0001333100000000, 0.0003076500000000 ] - [ 0.0099162000000000, -0.0282096300000000, -0.0115897000000000 ] - [ -0.0036559600000000, -0.0045644100000000, -0.0047746800000000 ] - [ 0.0026030700000000, -0.0039098100000000, 0.0032628600000000 ] - [ 0.0002093900000000, 0.0014946300000000, 0.0005842600000000 ] - [ -0.0024371200000000, -0.0031705500000000, 0.0036504600000000 ] - [ -0.0000992900000000, 0.0016980600000000, 0.0012814700000000 ] - [ -0.0008702700000000, -0.0032825200000000, 0.0006740400000000 ]- atom: 65 displacement: [ -0.0000185648863736, 0.0000000000000000, 0.0099999827672348 ] forces: - [ -0.0000650600000000, 0.0000556800000000, -0.0005987300000000 ] - [ -0.0000322700000000, -0.0004329300000000, -0.0009316200000000 ] - [ 0.0002253700000000, 0.0002306700000000, -0.0005581600000000 ] - [ -0.0000876400000000, 0.0001541800000000, 0.0008401500000000 ] - [ 0.0000268400000000, -0.0001776500000000, -0.0008410100000000 ] - [ -0.0021435400000000, -0.0012528700000000, -0.0006499600000000 ] - [ 0.0013626700000000, -0.0002282300000000, 0.0031883000000000 ] - [ 0.0005092800000000, 0.0000566300000000, 0.0015475700000000 ] - [ 0.0002889300000000, 0.0003506000000000, 0.0014687800000000 ] - [ 0.0006394300000000, -0.0022988600000000, 0.0077144700000000 ] - [ -0.0000171000000000, 0.0001016300000000, -0.0001590000000000 ] - [ 0.0002149800000000, 0.0001093800000000, -0.0004451200000000 ] - [ -0.0001197800000000, 0.0001403800000000, -0.0002936700000000 ] - [ 0.0001230200000000, -0.0000459200000000, -0.0003915600000000 ] - [ -0.0002201500000000, 0.0002448900000000, -0.0005409200000000 ] - [ -0.0000390000000000, 0.0001132200000000, -0.0005582400000000 ] - [ 0.0003075300000000, 0.0001784800000000, -0.0002917600000000 ] - [ 0.0003799200000000, 0.0004910700000000, 0.0005130700000000 ] - [ -0.0000914400000000, 0.0000518200000000, -0.0002168500000000 ] - [ 0.0000133800000000, 0.0002788500000000, -0.0002235300000000 ] - [ 0.0000279500000000, 0.0002486300000000, 0.0001595700000000 ] - [ -0.0000012100000000, -0.0008338900000000, 0.0042324200000000 ] - [ -0.0000784400000000, -0.0000880600000000, 0.0002249900000000 ] - [ -0.0000281100000000, 0.0001502300000000, -0.0002001400000000 ] - [ -0.0001630000000000, 0.0002485500000000, -0.0002202700000000 ] - [ -0.0013048900000000, -0.0004155800000000, 0.0036599800000000 ] - [ -0.0000133500000000, -0.0005423200000000, -0.0002055500000000 ] - [ 0.0000051400000000, -0.0002454900000000, 0.0000556900000000 ] - [ -0.0006347700000000, 0.0007296100000000, 0.0006806800000000 ] - [ -0.0001983500000000, -0.0005076700000000, -0.0002899400000000 ] - [ -0.0001380700000000, 0.0008040900000000, 0.0003421800000000 ] - [ 0.0018023400000000, 0.0008440100000000, 0.0033311400000000 ] - [ 0.0000242200000000, 0.0001650300000000, -0.0005665100000000 ] - [ 0.0000118400000000, 0.0000107800000000, -0.0005909300000000 ] - [ -0.0000116000000000, -0.0001922400000000, -0.0006430200000000 ] - [ -0.0000057500000000, -0.0000434300000000, 0.0004655300000000 ] - [ 0.0000927400000000, -0.0001017600000000, -0.0002586800000000 ] - [ -0.0000921000000000, 0.0000864000000000, -0.0005443500000000 ] - [ 0.0000280200000000, -0.0000290600000000, -0.0002812700000000 ] - [ 0.0004270400000000, -0.0002563300000000, -0.0002854600000000 ] - [ -0.0009291200000000, 0.0002706700000000, -0.0002286200000000 ] - [ -0.0000491700000000, 0.0001635100000000, -0.0004704600000000 ] - [ 0.0007290300000000, 0.0000384100000000, 0.0000312000000000 ] - [ -0.0000322600000000, -0.0001854400000000, 0.0001911800000000 ] - [ 0.0000880800000000, 0.0000200700000000, -0.0003980800000000 ] - [ -0.0000169000000000, -0.0000356200000000, -0.0005735800000000 ] - [ -0.0001020600000000, 0.0001915100000000, -0.0003395300000000 ] - [ 0.0000918300000000, -0.0003516400000000, 0.0006850500000000 ] - [ -0.0011111400000000, -0.0002323500000000, 0.0003618700000000 ] - [ 0.0002814700000000, -0.0001558900000000, -0.0006388100000000 ] - [ 0.0032646200000000, 0.0009835900000000, 0.0008888900000000 ] - [ 0.0001633500000000, 0.0024096300000000, -0.0004460700000000 ] - [ 0.0000780900000000, 0.0002376200000000, -0.0009052400000000 ] - [ -0.0001838100000000, 0.0027628400000000, -0.0005916900000000 ] - [ -0.0002040300000000, 0.0000063700000000, -0.0014993800000000 ] - [ -0.0003147100000000, -0.0002101400000000, -0.0007458700000000 ] - [ -0.0001461600000000, 0.0001618900000000, -0.0009343300000000 ] - [ -0.0415926900000000, -0.0888424400000000, 0.0980679900000000 ] - [ 0.0000821000000000, -0.0002635800000000, -0.0006657000000000 ] - [ -0.0024260100000000, -0.0018581700000000, -0.0075586300000000 ] - [ 0.0005445700000000, -0.0011855800000000, -0.0019211500000000 ] - [ 0.0009615500000000, 0.0004144400000000, -0.0011977800000000 ] - [ -0.0001533700000000, -0.0000341500000000, -0.0019712000000000 ] - [ -0.0000373200000000, -0.0001402800000000, -0.0005832400000000 ] - [ 0.0418359300000000, 0.1074960800000000, -0.1049517200000000 ] - [ -0.0003482800000000, 0.0001115500000000, 0.0011741200000000 ] - [ -0.0002409300000000, 0.0005753700000000, 0.0008672000000000 ] - [ 0.0000871900000000, 0.0002024300000000, 0.0003000500000000 ] - [ -0.0009503600000000, 0.0009961100000000, -0.0001488700000000 ] - [ 0.0002044200000000, -0.0005931800000000, -0.0003682400000000 ] - [ 0.0000793100000000, -0.0003878100000000, 0.0008572000000000 ] - [ -0.0000355100000000, 0.0001009800000000, 0.0006224800000000 ] - [ 0.0000898100000000, -0.0002639200000000, -0.0000459800000000 ] - [ 0.0000684600000000, -0.0004721500000000, 0.0003825800000000 ] - [ 0.0000618000000000, 0.0002613800000000, 0.0003074800000000 ] - [ 0.0026509100000000, -0.0002502600000000, 0.0001109000000000 ] - [ -0.0001708900000000, -0.0002143600000000, 0.0008686700000000 ] - [ -0.0141281500000000, 0.0020523200000000, -0.0041184600000000 ] - [ -0.0000419800000000, 0.0002375800000000, 0.0006843100000000 ] - [ 0.0001480200000000, -0.0001281200000000, 0.0006947200000000 ] - [ -0.0000826100000000, 0.0002211400000000, 0.0005170400000000 ] - [ 0.0001832200000000, 0.0004993300000000, 0.0000223600000000 ] - [ -0.0000371100000000, 0.0001781100000000, 0.0003712200000000 ] - [ -0.0003649200000000, -0.0001290000000000, 0.0011586500000000 ] - [ 0.0004422200000000, -0.0001507800000000, -0.0008480800000000 ] - [ 0.0002528600000000, -0.0004033200000000, -0.0006017100000000 ] - [ -0.0001726500000000, -0.0014180500000000, -0.0015904700000000 ] - [ 0.0002057100000000, -0.0002814100000000, 0.0011040200000000 ] - [ 0.0000607500000000, -0.0000068500000000, 0.0006436500000000 ] - [ -0.0001722000000000, 0.0000107600000000, 0.0006941500000000 ] - [ 0.0006983100000000, 0.0001582200000000, 0.0028459300000000 ] - [ -0.0012196000000000, -0.0012958500000000, -0.0023693700000000 ] - [ 0.0001266200000000, 0.0001606000000000, 0.0007059600000000 ] - [ -0.0007367900000000, -0.0015307100000000, 0.0024533500000000 ] - [ -0.0000112700000000, -0.0000558900000000, 0.0001434700000000 ] - [ -0.0001679200000000, -0.0004704900000000, 0.0007271300000000 ] - [ -0.0004609400000000, 0.0000584800000000, 0.0021726400000000 ] - [ -0.0011766700000000, -0.0092154400000000, 0.0131344600000000 ] - [ 0.0002025500000000, 0.0002927300000000, 0.0011899900000000 ] - [ -0.0011610700000000, 0.0013313700000000, -0.0017698300000000 ] - [ 0.0002717000000000, -0.0002268100000000, 0.0005801700000000 ] - [ 0.0002344400000000, -0.0011007300000000, -0.0015374600000000 ] - [ -0.0006126100000000, 0.0001463600000000, 0.0002248500000000 ] - [ -0.0004620500000000, 0.0015372400000000, 0.0013400600000000 ] - [ 0.0001190500000000, 0.0005664600000000, 0.0005809000000000 ] - [ 0.0139706100000000, -0.0075580000000000, -0.0213036700000000 ] - [ 0.0010533000000000, 0.0014710700000000, 0.0002207300000000 ] - [ 0.0019843300000000, -0.0032604100000000, 0.0012241100000000 ] - [ 0.0000487600000000, 0.0002924500000000, 0.0004303700000000 ] - [ -0.0019784100000000, -0.0034530000000000, 0.0014982200000000 ] - [ -0.0002196100000000, 0.0019515700000000, 0.0030958400000000 ] - [ -0.0001387000000000, -0.0003609100000000, -0.0004902300000000 ]- atom: 65 displacement: [ 0.0000185648863736, 0.0000000000000000, -0.0099999827672348 ] forces: - [ 0.0000866400000000, 0.0001963100000000, 0.0010353500000000 ] - [ -0.0004912000000000, -0.0001645200000000, 0.0007982600000000 ] - [ 0.0002946200000000, 0.0003643000000000, 0.0006552600000000 ] - [ 0.0000646500000000, 0.0000974400000000, -0.0012783400000000 ] - [ -0.0000479300000000, -0.0000783200000000, 0.0004075900000000 ] - [ 0.0016189800000000, 0.0018428300000000, 0.0005148900000000 ] - [ -0.0014033900000000, 0.0000106500000000, -0.0026872900000000 ] - [ 0.0000100700000000, -0.0006453000000000, -0.0014313300000000 ] - [ -0.0002502600000000, -0.0001258100000000, -0.0014446500000000 ] - [ -0.0004675000000000, 0.0022832800000000, -0.0069974800000000 ] - [ 0.0000163500000000, 0.0004556700000000, 0.0000800500000000 ] - [ -0.0002080300000000, -0.0001338300000000, 0.0004109500000000 ] - [ -0.0001355500000000, -0.0000613000000000, 0.0003953200000000 ] - [ 0.0000280400000000, -0.0001263000000000, 0.0005639200000000 ] - [ 0.0003402600000000, -0.0000783900000000, 0.0003716400000000 ] - [ -0.0001340800000000, 0.0000852700000000, 0.0003905800000000 ] - [ -0.0001875600000000, -0.0003402200000000, 0.0001271000000000 ] - [ -0.0004132200000000, -0.0007108000000000, -0.0005251600000000 ] - [ -0.0000275800000000, 0.0000948100000000, 0.0003665200000000 ] - [ -0.0000132600000000, 0.0002908100000000, 0.0002998900000000 ] - [ -0.0000050800000000, 0.0000764600000000, 0.0003075700000000 ] - [ -0.0001249700000000, 0.0005336500000000, -0.0043836500000000 ] - [ 0.0000746100000000, 0.0001137000000000, -0.0001988400000000 ] - [ -0.0000062900000000, 0.0002144000000000, 0.0001994200000000 ] - [ 0.0001681700000000, -0.0002174800000000, 0.0001926600000000 ] - [ 0.0011903000000000, 0.0001223500000000, -0.0038429700000000 ] - [ -0.0000209200000000, 0.0001769400000000, 0.0002172500000000 ] - [ 0.0000184700000000, -0.0000810500000000, 0.0004151300000000 ] - [ 0.0008018400000000, -0.0005283800000000, -0.0005121000000000 ] - [ 0.0001978900000000, -0.0000559100000000, 0.0002136800000000 ] - [ -0.0001155200000000, -0.0008582700000000, -0.0002240800000000 ] - [ -0.0016836500000000, -0.0009246200000000, -0.0031442000000000 ] - [ -0.0000487600000000, 0.0001662000000000, 0.0000950400000000 ] - [ 0.0001061200000000, -0.0003045800000000, 0.0007908300000000 ] - [ 0.0000473600000000, -0.0000177900000000, 0.0006752900000000 ] - [ -0.0000915800000000, 0.0001291600000000, -0.0006568300000000 ] - [ 0.0001613300000000, 0.0001523600000000, 0.0001305800000000 ] - [ -0.0000141900000000, 0.0001758900000000, 0.0003561800000000 ] - [ -0.0000324600000000, -0.0000085700000000, 0.0003071700000000 ] - [ -0.0001722800000000, 0.0001975200000000, 0.0001611000000000 ] - [ 0.0009035600000000, -0.0005970900000000, -0.0002438900000000 ] - [ 0.0000339800000000, 0.0000852400000000, 0.0004540400000000 ] - [ -0.0006972300000000, -0.0004039600000000, -0.0000448500000000 ] - [ 0.0000346700000000, -0.0003762500000000, -0.0001156500000000 ] - [ -0.0000027300000000, 0.0000428600000000, 0.0005940600000000 ] - [ -0.0000802100000000, -0.0000464100000000, 0.0003775700000000 ] - [ 0.0001356700000000, 0.0001789000000000, 0.0003280500000000 ] - [ -0.0002675700000000, 0.0001477000000000, -0.0008496400000000 ] - [ 0.0015716400000000, -0.0000200600000000, -0.0001024000000000 ] - [ 0.0002755000000000, -0.0000843700000000, 0.0009947200000000 ] - [ -0.0037594100000000, -0.0012232600000000, -0.0012563700000000 ] - [ -0.0003066200000000, -0.0022024500000000, 0.0009288500000000 ] - [ 0.0001093700000000, 0.0002172100000000, 0.0006374500000000 ] - [ 0.0007618500000000, -0.0025155500000000, 0.0009404000000000 ] - [ -0.0003701600000000, 0.0002334400000000, 0.0011409800000000 ] - [ -0.0001387300000000, -0.0000176800000000, 0.0004716600000000 ] - [ -0.0003037500000000, 0.0000906900000000, 0.0006670900000000 ] - [ 0.0426088700000000, 0.0904481300000000, -0.0985200500000000 ] - [ 0.0001197600000000, -0.0001684800000000, 0.0003964000000000 ] - [ 0.0022313100000000, 0.0014345900000000, 0.0078437500000000 ] - [ -0.0007313400000000, 0.0016061400000000, 0.0021700300000000 ] - [ -0.0005025600000000, -0.0001814200000000, 0.0014621000000000 ] - [ 0.0003122700000000, 0.0002543300000000, 0.0014647800000000 ] - [ -0.0001004200000000, -0.0000821600000000, 0.0010871500000000 ] - [ -0.0427914900000000, -0.1089480000000000, 0.1045332800000000 ] - [ 0.0002155300000000, 0.0000921800000000, -0.0013704800000000 ] - [ 0.0000383300000000, -0.0006155200000000, -0.0009234800000000 ] - [ -0.0000896700000000, 0.0000146700000000, -0.0004577800000000 ] - [ 0.0009195900000000, -0.0015237700000000, 0.0003338700000000 ] - [ -0.0001198700000000, 0.0003560600000000, 0.0001082800000000 ] - [ -0.0003109500000000, 0.0004145700000000, -0.0007073100000000 ] - [ -0.0000771400000000, 0.0000943700000000, -0.0001609000000000 ] - [ -0.0002544100000000, -0.0001779500000000, 0.0005725300000000 ] - [ -0.0000713800000000, 0.0002550800000000, -0.0005395300000000 ] - [ 0.0000396900000000, -0.0000402500000000, -0.0005609900000000 ] - [ -0.0024926800000000, -0.0001920900000000, -0.0006339100000000 ] - [ 0.0002015200000000, 0.0006979400000000, -0.0009487800000000 ] - [ 0.0138864800000000, -0.0022918500000000, 0.0046055100000000 ] - [ 0.0002416000000000, -0.0001880400000000, -0.0006260300000000 ] - [ -0.0000898100000000, 0.0003531500000000, -0.0004924300000000 ] - [ -0.0000732200000000, 0.0002195700000000, 0.0000083900000000 ] - [ -0.0001257600000000, -0.0004084000000000, 0.0001686400000000 ] - [ -0.0000358000000000, -0.0001001700000000, -0.0005487400000000 ] - [ 0.0002375700000000, -0.0000745800000000, -0.0013571000000000 ] - [ -0.0003259400000000, -0.0000509000000000, 0.0010746600000000 ] - [ -0.0001487800000000, 0.0005966900000000, 0.0001364700000000 ] - [ 0.0004048200000000, 0.0014455400000000, 0.0014399800000000 ] - [ -0.0003358500000000, -0.0001583200000000, -0.0011759800000000 ] - [ -0.0001408300000000, 0.0002329000000000, -0.0003736900000000 ] - [ 0.0000787100000000, 0.0005189400000000, -0.0004549700000000 ] - [ -0.0005643600000000, 0.0002804100000000, -0.0027562200000000 ] - [ 0.0009775300000000, 0.0012561200000000, 0.0025011900000000 ] - [ -0.0001248300000000, -0.0003216500000000, -0.0005152400000000 ] - [ 0.0007836800000000, 0.0010116600000000, -0.0026500500000000 ] - [ 0.0001219800000000, -0.0001374800000000, -0.0006461600000000 ] - [ 0.0001308000000000, -0.0000463800000000, -0.0006510200000000 ] - [ 0.0005882500000000, 0.0001446000000000, -0.0019666700000000 ] - [ 0.0013684800000000, 0.0089359500000000, -0.0130821700000000 ] - [ -0.0003288500000000, 0.0001472100000000, -0.0012563400000000 ] - [ 0.0011499800000000, -0.0014764100000000, 0.0015761500000000 ] - [ -0.0000403900000000, 0.0001988500000000, -0.0007277200000000 ] - [ -0.0002733400000000, 0.0016224700000000, 0.0016236700000000 ] - [ 0.0007656200000000, 0.0002937200000000, -0.0007497300000000 ] - [ 0.0005211200000000, -0.0016218800000000, -0.0011447300000000 ] - [ -0.0001209400000000, -0.0004082000000000, -0.0007694300000000 ] - [ -0.0140506600000000, 0.0070125800000000, 0.0212710600000000 ] - [ -0.0010683600000000, -0.0017056600000000, -0.0000744400000000 ] - [ -0.0017795900000000, 0.0032013600000000, -0.0011677000000000 ] - [ -0.0001276600000000, -0.0005062700000000, -0.0001596200000000 ] - [ 0.0019798600000000, 0.0036094800000000, -0.0013184100000000 ] - [ 0.0002600500000000, -0.0014162200000000, -0.0032623200000000 ] - [ 0.0000832400000000, 0.0002653100000000, 0.0002978800000000 ]- atom: 66 displacement: [ 0.0099999995909515, 0.0000000000000000, -0.0000028602394792 ] forces: - [ -0.0000150700000000, 0.0001389600000000, 0.0006262600000000 ] - [ -0.0002418800000000, -0.0002528100000000, 0.0002848500000000 ] - [ 0.0008124700000000, 0.0004595600000000, 0.0005535500000000 ] - [ 0.0003877400000000, 0.0000364600000000, 0.0002245300000000 ] - [ -0.0003039500000000, -0.0000643500000000, 0.0005709800000000 ] - [ -0.0004606300000000, 0.0003387800000000, -0.0004290800000000 ] - [ -0.0000433300000000, -0.0000912000000000, 0.0001293000000000 ] - [ 0.0000984600000000, -0.0003948500000000, 0.0006926000000000 ] - [ -0.0004175200000000, 0.0009631200000000, 0.0001658800000000 ] - [ -0.0004398800000000, -0.0006825200000000, 0.0003835800000000 ] - [ 0.0022227900000000, 0.0005955600000000, -0.0020830000000000 ] - [ 0.0024723200000000, 0.0002711300000000, -0.0020791900000000 ] - [ -0.0000837700000000, -0.0007358500000000, -0.0013931600000000 ] - [ -0.0000311900000000, 0.0002002000000000, 0.0009149400000000 ] - [ -0.0004018500000000, 0.0000302700000000, -0.0007571200000000 ] - [ -0.0001201400000000, 0.0001511000000000, 0.0002167300000000 ] - [ 0.0000762600000000, -0.0001209000000000, 0.0001179700000000 ] - [ -0.0000046300000000, -0.0000020700000000, 0.0001832000000000 ] - [ 0.0005549000000000, -0.0002574000000000, -0.0003983700000000 ] - [ -0.0005296600000000, 0.0010640600000000, 0.0003504700000000 ] - [ 0.0005611000000000, -0.0007069100000000, -0.0021725900000000 ] - [ -0.0000568500000000, -0.0001065500000000, 0.0002705200000000 ] - [ -0.0000117800000000, 0.0000014900000000, 0.0002293200000000 ] - [ 0.0045788100000000, -0.0004098100000000, -0.0015468100000000 ] - [ -0.0000233800000000, -0.0000176900000000, 0.0002007700000000 ] - [ -0.0000234400000000, -0.0002502800000000, 0.0001159000000000 ] - [ -0.0000107600000000, -0.0001718400000000, 0.0002139100000000 ] - [ 0.0000000000000000, -0.0001291700000000, 0.0004696300000000 ] - [ -0.0001047000000000, 0.0004575500000000, 0.0009423700000000 ] - [ -0.0000104900000000, -0.0002374000000000, 0.0001572600000000 ] - [ -0.0001239400000000, 0.0000076800000000, 0.0002577000000000 ] - [ -0.0001119700000000, -0.0003083400000000, 0.0008065200000000 ] - [ -0.0000764200000000, 0.0008153100000000, -0.0000869900000000 ] - [ 0.0000928300000000, -0.0001921900000000, 0.0003808600000000 ] - [ 0.0000441800000000, -0.0000530200000000, 0.0003148200000000 ] - [ 0.0004609000000000, -0.0002161900000000, -0.0005906700000000 ] - [ -0.0003735500000000, -0.0000113200000000, -0.0006101200000000 ] - [ -0.0000349600000000, 0.0000420400000000, 0.0001814400000000 ] - [ -0.0005658900000000, -0.0008833400000000, 0.0003029900000000 ] - [ 0.0001430000000000, -0.0000046100000000, 0.0001321500000000 ] - [ -0.0000265800000000, -0.0001701200000000, -0.0000536900000000 ] - [ 0.0000166800000000, 0.0002495300000000, 0.0002840800000000 ] - [ 0.0000296300000000, -0.0001924600000000, 0.0001488000000000 ] - [ 0.0000024800000000, -0.0002732100000000, 0.0002265300000000 ] - [ -0.0001150100000000, -0.0004284600000000, 0.0010862400000000 ] - [ -0.0000818200000000, -0.0001191200000000, 0.0002231300000000 ] - [ -0.0001097500000000, 0.0003991800000000, -0.0002896700000000 ] - [ 0.0005585600000000, 0.0003412000000000, -0.0004140400000000 ] - [ 0.0001215400000000, -0.0000568800000000, 0.0008671100000000 ] - [ 0.0002161500000000, -0.0000437200000000, 0.0012104800000000 ] - [ -0.0002164300000000, -0.0002128200000000, 0.0004947400000000 ] - [ -0.0096242200000000, 0.0001850200000000, -0.0057879700000000 ] - [ -0.0098289200000000, 0.0000384600000000, -0.0066505100000000 ] - [ 0.0353670200000000, 0.0026517200000000, -0.0261731900000000 ] - [ -0.0003089100000000, -0.0000240700000000, -0.0005774000000000 ] - [ -0.0003489000000000, -0.0001608200000000, 0.0008852400000000 ] - [ 0.0409594700000000, -0.0050687400000000, -0.0405983900000000 ] - [ 0.0000836500000000, -0.0000840700000000, 0.0004102600000000 ] - [ 0.0002212800000000, -0.0002828100000000, 0.0008316200000000 ] - [ -0.0000730400000000, -0.0001158400000000, 0.0008299500000000 ] - [ 0.0015468000000000, 0.0006663300000000, -0.0016585400000000 ] - [ 0.0008821600000000, -0.0001218600000000, -0.0003030600000000 ] - [ -0.0000369300000000, -0.0000082900000000, -0.0010932600000000 ] - [ 0.0000838700000000, -0.0000661500000000, 0.0012535000000000 ] - [ 0.0000205900000000, 0.0003460200000000, -0.0003242100000000 ] - [ -0.0679500100000000, 0.0042372800000000, 0.0827476000000000 ] - [ -0.0003481100000000, 0.0005690100000000, -0.0003404100000000 ] - [ 0.0000588500000000, 0.0001432100000000, 0.0008691600000000 ] - [ 0.0001656900000000, -0.0004830000000000, -0.0004475100000000 ] - [ -0.0000205000000000, 0.0001631500000000, -0.0005929100000000 ] - [ 0.0000668400000000, -0.0002867900000000, -0.0002293400000000 ] - [ 0.0000299000000000, 0.0000911100000000, 0.0000774300000000 ] - [ -0.0001271700000000, -0.0002265600000000, -0.0000245200000000 ] - [ -0.0001113500000000, 0.0001275900000000, -0.0005005400000000 ] - [ -0.0062269300000000, -0.0095908900000000, 0.0009416300000000 ] - [ 0.0000923900000000, -0.0002300000000000, -0.0004252900000000 ] - [ -0.0002138600000000, -0.0001967300000000, -0.0002916800000000 ] - [ -0.0001326400000000, -0.0000735000000000, 0.0002429900000000 ] - [ 0.0002261000000000, -0.0001895400000000, -0.0004838200000000 ] - [ -0.0100666100000000, 0.0107784400000000, 0.0010509600000000 ] - [ 0.0148415500000000, -0.0001298100000000, -0.0081047400000000 ] - [ 0.0002815600000000, -0.0021113400000000, 0.0014482500000000 ] - [ 0.0008217600000000, -0.0011423700000000, 0.0003573300000000 ] - [ 0.0003224300000000, -0.0000878600000000, -0.0017014500000000 ] - [ 0.0003723200000000, -0.0001242100000000, -0.0011299400000000 ] - [ 0.0123446000000000, -0.0002686000000000, -0.0099321100000000 ] - [ -0.0086474800000000, -0.0083730900000000, 0.0038409000000000 ] - [ -0.0004427900000000, -0.0001607400000000, -0.0015398700000000 ] - [ -0.0000581300000000, 0.0009425800000000, 0.0012762400000000 ] - [ 0.0009566500000000, 0.0013591400000000, 0.0006583500000000 ] - [ 0.0002314200000000, -0.0000192200000000, 0.0018865500000000 ] - [ -0.0003494200000000, -0.0004869800000000, -0.0003943000000000 ] - [ -0.0000955100000000, -0.0003508300000000, -0.0004957300000000 ] - [ 0.0001350700000000, -0.0000328800000000, -0.0004887200000000 ] - [ 0.0000570200000000, -0.0001013500000000, -0.0005730200000000 ] - [ 0.0001052500000000, -0.0000904200000000, -0.0005429000000000 ] - [ -0.0000308200000000, -0.0000526500000000, 0.0010309500000000 ] - [ -0.0002208800000000, -0.0002715000000000, -0.0011111100000000 ] - [ 0.0027602500000000, 0.0006802400000000, 0.0090167500000000 ] - [ -0.0002102800000000, 0.0004339200000000, -0.0004864700000000 ] - [ -0.0000373500000000, 0.0001958900000000, -0.0007372900000000 ] - [ 0.0006849900000000, -0.0008609100000000, 0.0003960600000000 ] - [ -0.0013407900000000, -0.0000152400000000, 0.0003417800000000 ] - [ 0.0000779500000000, -0.0003175700000000, -0.0002259700000000 ] - [ 0.0002073500000000, 0.0005132400000000, -0.0004093600000000 ] - [ 0.0002696800000000, -0.0006926200000000, -0.0004109400000000 ] - [ -0.0001793700000000, -0.0003639400000000, -0.0005508000000000 ] - [ 0.0008737400000000, 0.0010188700000000, 0.0004215400000000 ] - [ -0.0000815100000000, -0.0003764600000000, -0.0001945900000000 ] - [ -0.0063233600000000, 0.0081490800000000, 0.0022015300000000 ] - [ -0.0000326400000000, 0.0013704500000000, 0.0009715500000000 ] - [ 0.0000406500000000, 0.0002137300000000, -0.0004838900000000 ]- atom: 66 displacement: [ -0.0099999995909515, 0.0000000000000000, 0.0000028602394792 ] forces: - [ 0.0000922900000000, 0.0001089000000000, -0.0002226500000000 ] - [ -0.0003001800000000, -0.0003599100000000, -0.0004388600000000 ] - [ -0.0003315300000000, 0.0007048900000000, -0.0000134500000000 ] - [ -0.0004195900000000, 0.0002187200000000, -0.0006543200000000 ] - [ 0.0002634800000000, -0.0001498200000000, -0.0010394200000000 ] - [ -0.0000609300000000, 0.0002527700000000, 0.0003198500000000 ] - [ 0.0000653800000000, -0.0001608700000000, 0.0003236000000000 ] - [ 0.0004256800000000, -0.0001984500000000, -0.0005519700000000 ] - [ 0.0004624300000000, -0.0007349200000000, -0.0001265500000000 ] - [ 0.0005656300000000, 0.0009582300000000, -0.0001765900000000 ] - [ -0.0022257900000000, -0.0000163700000000, 0.0020618800000000 ] - [ -0.0024835700000000, -0.0003189500000000, 0.0021199300000000 ] - [ -0.0001513400000000, 0.0004610400000000, 0.0018612400000000 ] - [ 0.0006582400000000, -0.0008075700000000, -0.0007986500000000 ] - [ 0.0005267500000000, 0.0001063200000000, 0.0006554300000000 ] - [ -0.0000637100000000, -0.0000031900000000, -0.0003768800000000 ] - [ 0.0000415600000000, -0.0000199500000000, -0.0003044700000000 ] - [ -0.0000373300000000, -0.0002172500000000, -0.0001944400000000 ] - [ -0.0006577000000000, 0.0006890300000000, 0.0007720700000000 ] - [ 0.0005204300000000, -0.0005645100000000, -0.0002908000000000 ] - [ -0.0007902500000000, 0.0009741100000000, 0.0026329400000000 ] - [ -0.0000629900000000, -0.0000603500000000, -0.0000980000000000 ] - [ 0.0000159000000000, 0.0000343200000000, -0.0001998000000000 ] - [ -0.0041849300000000, 0.0006642000000000, 0.0017756700000000 ] - [ 0.0000189700000000, 0.0000708600000000, -0.0002372200000000 ] - [ -0.0000963600000000, -0.0000356200000000, -0.0002933900000000 ] - [ -0.0000223300000000, -0.0002274200000000, -0.0002406200000000 ] - [ 0.0000133100000000, -0.0002105500000000, -0.0000245900000000 ] - [ 0.0002815300000000, -0.0002658900000000, -0.0007710100000000 ] - [ 0.0000066500000000, -0.0003423200000000, -0.0002429100000000 ] - [ -0.0001336500000000, -0.0000514500000000, -0.0001369100000000 ] - [ 0.0002077800000000, 0.0002347600000000, -0.0006213700000000 ] - [ 0.0000797300000000, -0.0005442400000000, -0.0003630200000000 ] - [ 0.0000249000000000, 0.0001200800000000, -0.0004023000000000 ] - [ -0.0000048700000000, -0.0004617900000000, -0.0006601200000000 ] - [ -0.0005680000000000, 0.0002888600000000, 0.0004253000000000 ] - [ 0.0006302900000000, 0.0001031900000000, 0.0005505100000000 ] - [ -0.0003293300000000, 0.0005416700000000, -0.0003746000000000 ] - [ 0.0005764500000000, 0.0009022500000000, -0.0002811200000000 ] - [ 0.0001154300000000, -0.0000562700000000, -0.0002560800000000 ] - [ 0.0000049700000000, -0.0001683800000000, -0.0004083100000000 ] - [ -0.0004484300000000, -0.0004597500000000, -0.0003248900000000 ] - [ 0.0000033500000000, -0.0001856000000000, -0.0001509000000000 ] - [ -0.0000013000000000, -0.0002862200000000, -0.0001490300000000 ] - [ 0.0004843100000000, 0.0008094300000000, -0.0009145800000000 ] - [ -0.0000210500000000, 0.0000755200000000, -0.0003971300000000 ] - [ 0.0001336000000000, -0.0000850200000000, 0.0003144000000000 ] - [ -0.0007437300000000, -0.0005367100000000, 0.0002612500000000 ] - [ 0.0003213800000000, -0.0001754100000000, -0.0005886200000000 ] - [ 0.0006116700000000, -0.0001143100000000, -0.0011136200000000 ] - [ -0.0003565600000000, -0.0000124000000000, -0.0008370100000000 ] - [ 0.0094897500000000, 0.0000083700000000, 0.0062974100000000 ] - [ 0.0101504000000000, 0.0002886800000000, 0.0064292800000000 ] - [ -0.0350921000000000, -0.0024339900000000, 0.0269333900000000 ] - [ -0.0003050800000000, 0.0002490000000000, 0.0002364500000000 ] - [ -0.0000918400000000, -0.0000702300000000, -0.0011838700000000 ] - [ -0.0411075500000000, 0.0052107000000000, 0.0403412900000000 ] - [ 0.0000550300000000, -0.0001092600000000, -0.0008842700000000 ] - [ -0.0000523700000000, -0.0001266500000000, -0.0011477900000000 ] - [ -0.0001132400000000, -0.0002964100000000, -0.0005526000000000 ] - [ -0.0017377900000000, -0.0002577500000000, 0.0019555400000000 ] - [ -0.0004345100000000, 0.0003530000000000, 0.0005731200000000 ] - [ 0.0000410100000000, 0.0001013200000000, 0.0007515500000000 ] - [ -0.0004649400000000, -0.0000685400000000, -0.0012517000000000 ] - [ -0.0002373300000000, -0.0003030900000000, 0.0002534600000000 ] - [ 0.0676417400000000, -0.0037237000000000, -0.0833819900000000 ] - [ 0.0001409400000000, -0.0007952400000000, 0.0002516400000000 ] - [ -0.0000428800000000, 0.0000708500000000, -0.0010146200000000 ] - [ -0.0002067200000000, -0.0000342700000000, 0.0006248300000000 ] - [ 0.0001037400000000, -0.0003936300000000, 0.0003261100000000 ] - [ -0.0002837100000000, 0.0003064100000000, 0.0003726100000000 ] - [ -0.0000634900000000, 0.0001016400000000, 0.0004018800000000 ] - [ -0.0000190500000000, -0.0002212100000000, 0.0005551700000000 ] - [ 0.0001146900000000, -0.0003364200000000, 0.0003588100000000 ] - [ 0.0059021300000000, 0.0097664200000000, -0.0015070700000000 ] - [ 0.0000617400000000, -0.0002179000000000, -0.0000794100000000 ] - [ 0.0002818000000000, 0.0013267500000000, 0.0001542900000000 ] - [ 0.0000278700000000, -0.0001262600000000, 0.0002114600000000 ] - [ 0.0000436400000000, 0.0002449900000000, 0.0007425600000000 ] - [ 0.0091624600000000, -0.0106897300000000, -0.0015967300000000 ] - [ -0.0150676400000000, 0.0006060900000000, 0.0087575800000000 ] - [ -0.0002175300000000, 0.0021962900000000, -0.0012290100000000 ] - [ -0.0005207000000000, 0.0012702000000000, -0.0009353700000000 ] - [ -0.0004795100000000, -0.0001325400000000, 0.0015298500000000 ] - [ -0.0002426300000000, -0.0000901100000000, 0.0013347300000000 ] - [ -0.0122436800000000, 0.0004684200000000, 0.0093642700000000 ] - [ 0.0089193200000000, 0.0084404800000000, -0.0039260900000000 ] - [ 0.0003381000000000, -0.0002888000000000, 0.0015096500000000 ] - [ -0.0000236600000000, -0.0007391200000000, -0.0009911700000000 ] - [ -0.0002338200000000, -0.0009944800000000, -0.0012573600000000 ] - [ -0.0001292100000000, 0.0004562100000000, -0.0018434200000000 ] - [ 0.0001235600000000, 0.0004579400000000, 0.0005388100000000 ] - [ 0.0000744500000000, 0.0001740200000000, 0.0007740900000000 ] - [ -0.0000977900000000, -0.0004932300000000, 0.0003363700000000 ] - [ 0.0000007800000000, -0.0001277600000000, 0.0009343200000000 ] - [ -0.0000443900000000, -0.0004798400000000, 0.0009639000000000 ] - [ 0.0001607900000000, 0.0002677300000000, -0.0008209900000000 ] - [ 0.0003492200000000, -0.0001743300000000, 0.0011872000000000 ] - [ -0.0029230100000000, -0.0002358900000000, -0.0091355900000000 ] - [ 0.0002260800000000, -0.0006086900000000, 0.0002974900000000 ] - [ 0.0002672100000000, -0.0002517500000000, 0.0007395700000000 ] - [ -0.0007171300000000, 0.0013788100000000, -0.0002959400000000 ] - [ 0.0014911500000000, 0.0004646300000000, -0.0008518000000000 ] - [ -0.0000152600000000, 0.0002285600000000, 0.0004521000000000 ] - [ -0.0001897200000000, -0.0003400300000000, 0.0002206900000000 ] - [ -0.0002346000000000, 0.0001600700000000, 0.0003160300000000 ] - [ 0.0001758000000000, 0.0001661000000000, 0.0007182300000000 ] - [ -0.0006556500000000, -0.0010498400000000, -0.0003424700000000 ] - [ -0.0000043500000000, 0.0001584100000000, 0.0004889100000000 ] - [ 0.0063302900000000, -0.0080393000000000, -0.0019602600000000 ] - [ 0.0000657400000000, -0.0008452800000000, -0.0011256100000000 ] - [ -0.0001031800000000, -0.0003144700000000, 0.0002826600000000 ]- atom: 66 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000100300000000, 0.0001229400000000, 0.0001808400000000 ] - [ -0.0002613100000000, -0.0002805900000000, -0.0000264400000000 ] - [ 0.0000351600000000, 0.0002342000000000, -0.0000861800000000 ] - [ 0.0001339600000000, 0.0001204200000000, -0.0002127700000000 ] - [ 0.0000855500000000, -0.0000744000000000, -0.0002787800000000 ] - [ -0.0002755500000000, 0.0002954700000000, -0.0001649000000000 ] - [ 0.0000180000000000, -0.0002684500000000, 0.0001480700000000 ] - [ 0.0002126300000000, -0.0002228300000000, 0.0000213500000000 ] - [ 0.0002264400000000, -0.0000546700000000, -0.0004028700000000 ] - [ -0.0002826600000000, -0.0000510800000000, 0.0003387800000000 ] - [ -0.0000918000000000, 0.0000881300000000, 0.0000538800000000 ] - [ 0.0004288700000000, -0.0014473800000000, -0.0000738400000000 ] - [ -0.0007762100000000, -0.0005785100000000, -0.0005448600000000 ] - [ 0.0000160100000000, -0.0002397800000000, -0.0000435900000000 ] - [ 0.0000588900000000, 0.0000612400000000, -0.0000232300000000 ] - [ -0.0000295500000000, 0.0000466600000000, -0.0001073500000000 ] - [ 0.0000605800000000, -0.0000491200000000, -0.0000711000000000 ] - [ -0.0000156100000000, -0.0001106400000000, -0.0000376700000000 ] - [ -0.0001518000000000, 0.0000997800000000, 0.0003266900000000 ] - [ 0.0003768600000000, 0.0000324300000000, -0.0000960000000000 ] - [ -0.0005918700000000, 0.0018151500000000, -0.0003462800000000 ] - [ -0.0000744100000000, -0.0000880200000000, 0.0000872100000000 ] - [ 0.0000152000000000, 0.0000160900000000, 0.0000116200000000 ] - [ -0.0009843900000000, 0.0024615700000000, 0.0004272900000000 ] - [ -0.0000000500000000, 0.0000340400000000, -0.0000207000000000 ] - [ -0.0000656300000000, -0.0001188700000000, -0.0001519500000000 ] - [ -0.0000231700000000, -0.0001903300000000, -0.0000007200000000 ] - [ 0.0000199500000000, -0.0001737900000000, 0.0002254400000000 ] - [ 0.0000541400000000, 0.0000642400000000, 0.0001919800000000 ] - [ -0.0000025600000000, -0.0002942200000000, -0.0000429200000000 ] - [ -0.0001275900000000, -0.0000207200000000, 0.0000536500000000 ] - [ 0.0000875400000000, -0.0001676300000000, 0.0000880700000000 ] - [ -0.0000657000000000, 0.0000115400000000, -0.0001439900000000 ] - [ 0.0000406400000000, -0.0001086800000000, 0.0000871300000000 ] - [ -0.0000261900000000, -0.0001594000000000, -0.0000009300000000 ] - [ 0.0000618400000000, -0.0000719600000000, -0.0000395900000000 ] - [ 0.0001607000000000, 0.0000292500000000, 0.0000171300000000 ] - [ -0.0000689000000000, 0.0001775500000000, -0.0001177400000000 ] - [ -0.0001624000000000, -0.0001862000000000, 0.0005464100000000 ] - [ 0.0001298700000000, -0.0000543600000000, -0.0000312700000000 ] - [ -0.0000117500000000, -0.0001691400000000, -0.0002454700000000 ] - [ -0.0000221400000000, 0.0000859000000000, -0.0000083100000000 ] - [ 0.0000170200000000, -0.0001801400000000, -0.0000003000000000 ] - [ -0.0000018600000000, -0.0002768900000000, 0.0000279800000000 ] - [ 0.0000909000000000, 0.0000626500000000, -0.0001591800000000 ] - [ -0.0000251800000000, 0.0000061600000000, -0.0000979200000000 ] - [ 0.0000229900000000, 0.0001482200000000, 0.0000308900000000 ] - [ -0.0000330100000000, -0.0000995400000000, -0.0001452700000000 ] - [ 0.0002169700000000, -0.0001710200000000, 0.0000732300000000 ] - [ 0.0002216200000000, -0.0000419600000000, 0.0001189100000000 ] - [ -0.0002547600000000, -0.0001087500000000, -0.0002295400000000 ] - [ 0.0004631500000000, 0.0001478400000000, 0.0004883600000000 ] - [ 0.0000138300000000, 0.0003690800000000, -0.0002282300000000 ] - [ 0.0035420200000000, 0.0363010400000000, -0.0027091800000000 ] - [ -0.0001891100000000, 0.0000770800000000, 0.0002345600000000 ] - [ -0.0001828800000000, -0.0000260700000000, -0.0001645200000000 ] - [ -0.0059161600000000, 0.0381800700000000, 0.0078404600000000 ] - [ 0.0000635700000000, -0.0001504900000000, -0.0003156400000000 ] - [ 0.0001122500000000, -0.0002484000000000, -0.0001760900000000 ] - [ -0.0000844800000000, -0.0002657900000000, 0.0000841800000000 ] - [ -0.0002560000000000, -0.0015031400000000, 0.0005281700000000 ] - [ 0.0002410800000000, -0.0014569500000000, 0.0005823900000000 ] - [ 0.0000528400000000, 0.0001470100000000, 0.0001000100000000 ] - [ -0.0000836300000000, -0.0001631100000000, 0.0002293200000000 ] - [ -0.0000077000000000, 0.0001343900000000, -0.0000251500000000 ] - [ 0.0039034900000000, -0.0467499800000000, -0.0075915600000000 ] - [ -0.0000106700000000, -0.0001862300000000, -0.0000026200000000 ] - [ 0.0000109200000000, 0.0010971500000000, 0.0001693900000000 ] - [ -0.0000436600000000, -0.0002353800000000, 0.0001528000000000 ] - [ 0.0000610200000000, -0.0001708700000000, -0.0000586700000000 ] - [ -0.0003163400000000, 0.0003415700000000, 0.0000559300000000 ] - [ -0.0000730400000000, 0.0000828500000000, 0.0002574100000000 ] - [ -0.0001151400000000, -0.0002173800000000, 0.0002770600000000 ] - [ -0.0000859100000000, -0.0001301500000000, -0.0001199500000000 ] - [ -0.0038034900000000, -0.0044163100000000, 0.0109058400000000 ] - [ 0.0000770400000000, -0.0002166800000000, -0.0002456300000000 ] - [ 0.0001248100000000, 0.0004005800000000, -0.0000740100000000 ] - [ -0.0000566400000000, -0.0000957600000000, 0.0002609300000000 ] - [ 0.0000761600000000, 0.0000287800000000, 0.0000668900000000 ] - [ 0.0063693700000000, -0.0093791500000000, -0.0070830500000000 ] - [ -0.0007838800000000, -0.0020235700000000, -0.0002282200000000 ] - [ -0.0006324700000000, 0.0024279200000000, -0.0005842600000000 ] - [ 0.0001622800000000, -0.0001730100000000, -0.0000305500000000 ] - [ -0.0000821200000000, -0.0001195900000000, -0.0000189000000000 ] - [ 0.0000481100000000, -0.0001051300000000, 0.0001722800000000 ] - [ -0.0002834700000000, -0.0020396600000000, 0.0001381800000000 ] - [ -0.0044096300000000, -0.0071228400000000, 0.0098396500000000 ] - [ -0.0000532900000000, -0.0002222000000000, 0.0000356600000000 ] - [ 0.0004810500000000, 0.0018845000000000, 0.0000732500000000 ] - [ -0.0000517500000000, 0.0001632800000000, -0.0000564900000000 ] - [ -0.0000688400000000, 0.0001602900000000, -0.0005743100000000 ] - [ -0.0000958300000000, -0.0000074600000000, 0.0000522800000000 ] - [ -0.0000032700000000, -0.0000966200000000, 0.0000817000000000 ] - [ 0.0000992000000000, -0.0002852000000000, -0.0001439900000000 ] - [ 0.0000927600000000, -0.0000962100000000, -0.0002127700000000 ] - [ -0.0000177500000000, -0.0002012200000000, 0.0000254900000000 ] - [ 0.0002186300000000, 0.0000953300000000, -0.0005315800000000 ] - [ 0.0000774000000000, -0.0002191500000000, 0.0000958100000000 ] - [ -0.0001388400000000, 0.0001216200000000, -0.0003111300000000 ] - [ -0.0000606700000000, -0.0000597300000000, -0.0000319300000000 ] - [ 0.0001371600000000, -0.0000890300000000, 0.0000530800000000 ] - [ -0.0000312300000000, 0.0002543600000000, 0.0001637900000000 ] - [ 0.0002288100000000, 0.0005745700000000, -0.0002215700000000 ] - [ 0.0000523500000000, -0.0000128700000000, 0.0001025800000000 ] - [ -0.0000455900000000, 0.0000040100000000, -0.0001162100000000 ] - [ -0.0000269200000000, -0.0001967700000000, 0.0000402500000000 ] - [ 0.0000102600000000, -0.0001589000000000, -0.0000050000000000 ] - [ -0.0000904500000000, -0.0002360200000000, -0.0000171500000000 ] - [ -0.0000653400000000, -0.0000745800000000, 0.0001515000000000 ] - [ 0.0031287600000000, -0.0052442200000000, -0.0107594600000000 ] - [ -0.0000284200000000, 0.0014998400000000, 0.0003603400000000 ] - [ -0.0000300700000000, -0.0000519200000000, -0.0000866500000000 ]- atom: 66 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000067400000000, 0.0001319100000000, 0.0002413400000000 ] - [ -0.0002600700000000, -0.0002932500000000, -0.0000631800000000 ] - [ 0.0004804900000000, 0.0003465700000000, 0.0001134300000000 ] - [ -0.0001602300000000, 0.0001324200000000, -0.0002261600000000 ] - [ -0.0001057600000000, -0.0001873800000000, -0.0001430700000000 ] - [ -0.0002490300000000, 0.0002910200000000, 0.0000441900000000 ] - [ 0.0000052900000000, 0.0000185700000000, 0.0002955000000000 ] - [ 0.0003103700000000, -0.0003643400000000, 0.0001083600000000 ] - [ -0.0001879000000000, 0.0002707100000000, 0.0004351500000000 ] - [ 0.0004028700000000, 0.0003377500000000, -0.0001433000000000 ] - [ 0.0000819000000000, 0.0001661000000000, -0.0001618500000000 ] - [ -0.0004619700000000, 0.0016614200000000, 0.0000238400000000 ] - [ 0.0005180100000000, 0.0006542100000000, 0.0006106200000000 ] - [ 0.0001053100000000, 0.0000879000000000, 0.0002360000000000 ] - [ 0.0000602100000000, 0.0001157800000000, -0.0001475500000000 ] - [ -0.0001032900000000, 0.0001130900000000, -0.0000685100000000 ] - [ 0.0000608700000000, -0.0000914300000000, -0.0000722600000000 ] - [ -0.0000232500000000, -0.0001122500000000, 0.0000125300000000 ] - [ 0.0000299000000000, 0.0000333500000000, -0.0001948300000000 ] - [ -0.0003749300000000, 0.0005440400000000, 0.0001612800000000 ] - [ 0.0005889200000000, -0.0014899200000000, 0.0008124400000000 ] - [ -0.0000453200000000, -0.0000782100000000, 0.0000796900000000 ] - [ -0.0000115600000000, 0.0000210400000000, 0.0000150800000000 ] - [ 0.0009900900000000, -0.0020956400000000, -0.0004199500000000 ] - [ -0.0000021500000000, 0.0000083600000000, -0.0000022800000000 ] - [ -0.0000520400000000, -0.0001615600000000, -0.0000364400000000 ] - [ -0.0000102400000000, -0.0001805700000000, 0.0000167700000000 ] - [ 0.0000055300000000, -0.0001615300000000, 0.0002464800000000 ] - [ 0.0001215000000000, 0.0001235200000000, -0.0000314800000000 ] - [ -0.0000009400000000, -0.0002717000000000, -0.0000278000000000 ] - [ -0.0001283100000000, -0.0000294600000000, 0.0000715600000000 ] - [ 0.0000085100000000, 0.0000937800000000, 0.0000896800000000 ] - [ 0.0000364100000000, 0.0003400800000000, -0.0003266400000000 ] - [ 0.0000606100000000, -0.0001736600000000, 0.0001252100000000 ] - [ 0.0000301800000000, -0.0000682900000000, 0.0000553800000000 ] - [ -0.0001636200000000, 0.0001550600000000, -0.0001438500000000 ] - [ 0.0000967800000000, 0.0000067400000000, -0.0001438200000000 ] - [ -0.0000232900000000, 0.0000920700000000, -0.0000838400000000 ] - [ 0.0001688800000000, 0.0001309000000000, -0.0005326000000000 ] - [ 0.0001289500000000, -0.0000228500000000, -0.0000509200000000 ] - [ -0.0000107600000000, -0.0001656400000000, -0.0002227100000000 ] - [ 0.0000242000000000, 0.0001628600000000, -0.0000315400000000 ] - [ 0.0000175800000000, -0.0001892300000000, 0.0000022700000000 ] - [ 0.0000033900000000, -0.0002847800000000, 0.0000463500000000 ] - [ -0.0000311100000000, -0.0000280200000000, 0.0003534000000000 ] - [ -0.0000501700000000, -0.0000532800000000, -0.0000829700000000 ] - [ 0.0000144600000000, 0.0002369900000000, -0.0000517900000000 ] - [ -0.0001463400000000, -0.0001014900000000, -0.0000188600000000 ] - [ 0.0002139400000000, -0.0001058400000000, 0.0001653000000000 ] - [ 0.0002877300000000, -0.0002025900000000, 0.0002246500000000 ] - [ -0.0002993300000000, -0.0001198700000000, -0.0001189400000000 ] - [ -0.0005885200000000, 0.0000586800000000, -0.0000343400000000 ] - [ 0.0001533100000000, 0.0000903500000000, -0.0000405600000000 ] - [ -0.0031742300000000, -0.0360946300000000, 0.0037336500000000 ] - [ -0.0003156600000000, 0.0001644000000000, -0.0005804900000000 ] - [ -0.0002598300000000, -0.0002118300000000, -0.0000980400000000 ] - [ 0.0057489900000000, -0.0380288200000000, -0.0087835500000000 ] - [ 0.0000636800000000, -0.0000471500000000, -0.0001680100000000 ] - [ 0.0000710100000000, -0.0001836100000000, -0.0000750600000000 ] - [ -0.0000884300000000, -0.0001952700000000, 0.0001571200000000 ] - [ 0.0000725800000000, 0.0019341100000000, -0.0002875100000000 ] - [ 0.0001895400000000, 0.0016986300000000, -0.0003249400000000 ] - [ 0.0000875700000000, 0.0000783300000000, -0.0006419800000000 ] - [ -0.0000261400000000, -0.0000615100000000, 0.0003002400000000 ] - [ -0.0002008900000000, -0.0000980300000000, -0.0000459100000000 ] - [ -0.0040598600000000, 0.0472175500000000, 0.0074556100000000 ] - [ -0.0001993900000000, 0.0001967300000000, -0.0000688600000000 ] - [ -0.0000118900000000, -0.0008900400000000, -0.0003344100000000 ] - [ 0.0000012800000000, -0.0002961600000000, 0.0000269600000000 ] - [ 0.0000232400000000, -0.0000537200000000, -0.0002062300000000 ] - [ 0.0000903000000000, -0.0003192800000000, 0.0000745200000000 ] - [ -0.0000655100000000, 0.0001086900000000, 0.0002449500000000 ] - [ -0.0000385900000000, -0.0002254600000000, 0.0002497600000000 ] - [ -0.0000004700000000, -0.0000989400000000, -0.0000923800000000 ] - [ 0.0039135900000000, 0.0045184200000000, -0.0110811800000000 ] - [ 0.0000789500000000, -0.0002234300000000, -0.0002672700000000 ] - [ -0.0000928200000000, 0.0000323400000000, -0.0000057900000000 ] - [ -0.0000507300000000, -0.0001004200000000, 0.0001911800000000 ] - [ 0.0001222700000000, 0.0000160300000000, -0.0000208000000000 ] - [ -0.0062800100000000, 0.0096961200000000, 0.0073479800000000 ] - [ 0.0006719100000000, 0.0024759300000000, 0.0007350700000000 ] - [ 0.0007064800000000, -0.0023450600000000, 0.0007987500000000 ] - [ -0.0002702600000000, 0.0002342200000000, -0.0001421000000000 ] - [ -0.0000469800000000, -0.0000878500000000, -0.0001633500000000 ] - [ 0.0000823300000000, -0.0001001700000000, 0.0000382400000000 ] - [ 0.0003289200000000, 0.0022419000000000, -0.0005825200000000 ] - [ 0.0046888100000000, 0.0072477100000000, -0.0100055700000000 ] - [ -0.0000828500000000, -0.0002205300000000, -0.0001050700000000 ] - [ -0.0005739800000000, -0.0016646800000000, 0.0001914700000000 ] - [ -0.0001183200000000, 0.0003841300000000, 0.0003500300000000 ] - [ 0.0002085000000000, 0.0002762000000000, 0.0006647300000000 ] - [ -0.0001297900000000, -0.0000102300000000, 0.0000894200000000 ] - [ 0.0000054800000000, -0.0000571800000000, 0.0001020100000000 ] - [ 0.0000201700000000, -0.0002577100000000, -0.0000999700000000 ] - [ 0.0000275800000000, -0.0001002300000000, -0.0003196400000000 ] - [ -0.0000257500000000, -0.0002866400000000, 0.0000324300000000 ] - [ -0.0000926100000000, 0.0001083200000000, 0.0007289900000000 ] - [ 0.0000521700000000, -0.0002190100000000, -0.0000198000000000 ] - [ 0.0000171600000000, 0.0003221900000000, 0.0002739500000000 ] - [ 0.0000683700000000, -0.0001211700000000, -0.0001601000000000 ] - [ 0.0000958200000000, 0.0000455200000000, -0.0002038800000000 ] - [ -0.0000089200000000, 0.0002891800000000, -0.0000687400000000 ] - [ -0.0000636000000000, -0.0001355800000000, -0.0002990400000000 ] - [ 0.0000276300000000, -0.0000671000000000, 0.0000897900000000 ] - [ 0.0000523500000000, 0.0001767900000000, -0.0000881600000000 ] - [ 0.0000622500000000, -0.0003224400000000, -0.0001351000000000 ] - [ -0.0000066400000000, -0.0000534700000000, 0.0001721400000000 ] - [ 0.0002963500000000, 0.0001714400000000, 0.0000891000000000 ] - [ -0.0000397900000000, -0.0001353400000000, 0.0001204300000000 ] - [ -0.0031136700000000, 0.0052937900000000, 0.0108994700000000 ] - [ 0.0000693500000000, -0.0009757700000000, -0.0005327400000000 ] - [ -0.0000298200000000, -0.0000327200000000, -0.0001142000000000 ]- atom: 66 displacement: [ -0.0000185648863736, 0.0000000000000000, 0.0099999827672348 ] forces: - [ 0.0001257400000000, 0.0000555100000000, -0.0014439900000000 ] - [ -0.0003487400000000, -0.0004740700000000, -0.0014902600000000 ] - [ -0.0025095300000000, -0.0003491900000000, -0.0031423100000000 ] - [ -0.0025159600000000, 0.0005238600000000, -0.0028615700000000 ] - [ 0.0014744600000000, -0.0002285500000000, -0.0036614700000000 ] - [ -0.0001543900000000, 0.0000894200000000, 0.0015592500000000 ] - [ 0.0002850000000000, 0.0003531000000000, 0.0009186600000000 ] - [ 0.0013510200000000, -0.0001303400000000, -0.0027610200000000 ] - [ 0.0016509000000000, -0.0024769700000000, 0.0009788500000000 ] - [ 0.0020939700000000, 0.0026418000000000, 0.0009452500000000 ] - [ 0.0003643100000000, -0.0009891200000000, 0.0077372800000000 ] - [ -0.0000479500000000, 0.0012550200000000, 0.0094417100000000 ] - [ -0.0029971300000000, -0.0018927700000000, 0.0015186600000000 ] - [ 0.0001150200000000, -0.0013342100000000, -0.0034322800000000 ] - [ 0.0003540200000000, 0.0003469500000000, 0.0025269500000000 ] - [ 0.0000666500000000, -0.0000930700000000, -0.0013314400000000 ] - [ -0.0000206300000000, 0.0000567100000000, -0.0008908000000000 ] - [ -0.0000781900000000, -0.0004426000000000, -0.0006204800000000 ] - [ -0.0022489100000000, 0.0024112200000000, 0.0005903500000000 ] - [ 0.0019663100000000, -0.0020312600000000, 0.0003128800000000 ] - [ -0.0021943700000000, 0.0004429000000000, 0.0081446000000000 ] - [ -0.0000188800000000, -0.0000320400000000, -0.0007016900000000 ] - [ 0.0000228100000000, 0.0000718900000000, -0.0008589200000000 ] - [ -0.0004075100000000, -0.0005311500000000, 0.0079377200000000 ] - [ 0.0000758400000000, 0.0001609700000000, -0.0008761100000000 ] - [ -0.0001784300000000, 0.0001870700000000, -0.0008010000000000 ] - [ -0.0000212000000000, -0.0002551000000000, -0.0008080800000000 ] - [ 0.0000540300000000, -0.0003114700000000, -0.0006872300000000 ] - [ 0.0005461500000000, -0.0014588500000000, -0.0029943000000000 ] - [ 0.0000302800000000, -0.0004493600000000, -0.0008244600000000 ] - [ -0.0001274700000000, -0.0001025400000000, -0.0007068700000000 ] - [ 0.0002667200000000, 0.0013665700000000, -0.0030374500000000 ] - [ 0.0003233800000000, -0.0027293100000000, -0.0004876500000000 ] - [ -0.0000835900000000, 0.0000203700000000, -0.0010848700000000 ] - [ -0.0000923600000000, -0.0002837700000000, -0.0012437400000000 ] - [ -0.0027472700000000, 0.0021150800000000, 0.0006605500000000 ] - [ 0.0004533900000000, 0.0002833100000000, 0.0020920200000000 ] - [ -0.0001642500000000, 0.0004784000000000, -0.0011264600000000 ] - [ 0.0016904500000000, 0.0026267100000000, 0.0005256100000000 ] - [ 0.0000741900000000, -0.0001122300000000, -0.0008205000000000 ] - [ 0.0000327400000000, -0.0001772300000000, -0.0009751800000000 ] - [ -0.0001567600000000, -0.0003245400000000, -0.0011381300000000 ] - [ -0.0000254400000000, -0.0001573100000000, -0.0006250800000000 ] - [ -0.0000311100000000, -0.0003080500000000, -0.0007203200000000 ] - [ 0.0003299100000000, 0.0019364700000000, -0.0032886100000000 ] - [ 0.0000982100000000, 0.0002433400000000, -0.0013614600000000 ] - [ 0.0000680500000000, -0.0006079600000000, 0.0009987100000000 ] - [ -0.0025555700000000, -0.0024426400000000, 0.0006694300000000 ] - [ 0.0005966600000000, -0.0003437200000000, -0.0028204200000000 ] - [ 0.0004835700000000, -0.0004586700000000, -0.0041011900000000 ] - [ -0.0004639400000000, 0.0004544100000000, -0.0028305600000000 ] - [ 0.0222524100000000, -0.0000018300000000, 0.0127588300000000 ] - [ 0.0216502000000000, 0.0000762900000000, 0.0136892800000000 ] - [ -0.0190792900000000, -0.0028179400000000, 0.1764167000000000 ] - [ -0.0002917200000000, 0.0003500700000000, 0.0026701600000000 ] - [ 0.0001988900000000, 0.0000815800000000, -0.0043289700000000 ] - [ -0.0346561400000000, 0.0100415800000000, 0.1818939300000000 ] - [ -0.0000328300000000, 0.0001070900000000, -0.0027254500000000 ] - [ -0.0004890600000000, 0.0000838400000000, -0.0038432800000000 ] - [ -0.0001903200000000, -0.0005680200000000, -0.0027485500000000 ] - [ -0.0013324300000000, -0.0002167600000000, 0.0044205600000000 ] - [ 0.0010955000000000, -0.0003402000000000, 0.0040207100000000 ] - [ 0.0002392500000000, 0.0002611500000000, 0.0020377200000000 ] - [ -0.0006567000000000, -0.0002118300000000, -0.0036403100000000 ] - [ -0.0010824700000000, -0.0019790600000000, 0.0012462800000000 ] - [ 0.0834942000000000, -0.0080434200000000, -0.4277524400000000 ] - [ 0.0006366800000000, -0.0017554600000000, 0.0012314500000000 ] - [ 0.0000230100000000, -0.0017296600000000, -0.0039033900000000 ] - [ -0.0007265100000000, 0.0006261200000000, 0.0021228600000000 ] - [ 0.0002092700000000, -0.0012563300000000, 0.0018421400000000 ] - [ -0.0013995200000000, 0.0021136500000000, 0.0013474500000000 ] - [ -0.0000531000000000, 0.0001368700000000, 0.0007882800000000 ] - [ 0.0002784700000000, -0.0002240500000000, 0.0013342400000000 ] - [ 0.0004704500000000, -0.0010457600000000, 0.0016425100000000 ] - [ 0.0064932600000000, 0.0305923100000000, 0.0107872500000000 ] - [ 0.0000573000000000, -0.0001938200000000, 0.0004273100000000 ] - [ 0.0009084600000000, 0.0019276900000000, 0.0011299800000000 ] - [ 0.0000631200000000, -0.0002162300000000, 0.0000726300000000 ] - [ -0.0003764400000000, 0.0009041400000000, 0.0020949000000000 ] - [ 0.0114944300000000, -0.0243083100000000, 0.0199839100000000 ] - [ -0.0480050800000000, -0.0020632200000000, -0.0031168300000000 ] - [ 0.0000765800000000, 0.0018775800000000, -0.0039911600000000 ] - [ -0.0006793400000000, 0.0027213900000000, -0.0008432600000000 ] - [ -0.0016694200000000, -0.0001752400000000, 0.0064860400000000 ] - [ -0.0011628300000000, -0.0000359600000000, 0.0050175300000000 ] - [ -0.0476359000000000, 0.0031370200000000, -0.0002359100000000 ] - [ 0.0128018600000000, 0.0255251800000000, 0.0164751600000000 ] - [ 0.0014245800000000, -0.0004548300000000, 0.0058833200000000 ] - [ 0.0005122700000000, 0.0017686900000000, -0.0041406700000000 ] - [ -0.0003151700000000, -0.0017768600000000, -0.0008408400000000 ] - [ -0.0002265600000000, 0.0011476700000000, -0.0048559400000000 ] - [ 0.0008145300000000, 0.0018260800000000, 0.0016059800000000 ] - [ 0.0003085200000000, 0.0010627300000000, 0.0026027000000000 ] - [ -0.0004719900000000, -0.0012070100000000, 0.0015784900000000 ] - [ 0.0000692000000000, -0.0000774100000000, 0.0010703400000000 ] - [ -0.0005695500000000, -0.0010238500000000, 0.0023881200000000 ] - [ 0.0009964400000000, 0.0007401000000000, -0.0052446000000000 ] - [ 0.0012616200000000, -0.0000137000000000, 0.0047828100000000 ] - [ -0.0090639900000000, -0.0010168400000000, -0.0269991600000000 ] - [ 0.0010543200000000, -0.0023131700000000, 0.0014834900000000 ] - [ 0.0006461600000000, -0.0009646000000000, 0.0027112900000000 ] - [ -0.0006344000000000, 0.0031233700000000, -0.0006390900000000 ] - [ -0.0002184000000000, 0.0009345300000000, -0.0025397800000000 ] - [ -0.0001739200000000, 0.0010587400000000, 0.0014628600000000 ] - [ -0.0008929300000000, -0.0016945600000000, 0.0010491900000000 ] - [ -0.0011393900000000, 0.0015049000000000, 0.0010964500000000 ] - [ 0.0005782900000000, 0.0011087200000000, 0.0028758200000000 ] - [ -0.0007222100000000, -0.0026682300000000, -0.0009277900000000 ] - [ 0.0001246900000000, 0.0009566200000000, 0.0014851800000000 ] - [ 0.0087455600000000, -0.0293608900000000, 0.0107597400000000 ] - [ 0.0004523300000000, -0.0015524100000000, -0.0037926200000000 ] - [ -0.0002884600000000, -0.0010812900000000, 0.0013338800000000 ]- atom: 66 displacement: [ 0.0000185648863736, 0.0000000000000000, -0.0099999827672348 ] forces: - [ -0.0001027000000000, 0.0001943700000000, 0.0018848100000000 ] - [ -0.0001720900000000, -0.0001156700000000, 0.0013705100000000 ] - [ 0.0030166800000000, 0.0009347900000000, 0.0032732200000000 ] - [ 0.0025117200000000, -0.0002739900000000, 0.0024255900000000 ] - [ -0.0014840600000000, -0.0000194500000000, 0.0032180900000000 ] - [ -0.0003648400000000, 0.0005003700000000, -0.0016978500000000 ] - [ -0.0002702400000000, -0.0006064700000000, -0.0004845500000000 ] - [ -0.0008409500000000, -0.0004549300000000, 0.0028727200000000 ] - [ -0.0016172000000000, 0.0026761900000000, -0.0009719900000000 ] - [ -0.0019830500000000, -0.0023392900000000, -0.0007856600000000 ] - [ -0.0003717800000000, 0.0014484600000000, -0.0078443400000000 ] - [ 0.0000349600000000, -0.0011775600000000, -0.0094883100000000 ] - [ 0.0027477400000000, 0.0019849500000000, -0.0013559600000000 ] - [ 0.0000550700000000, 0.0011372500000000, 0.0035916000000000 ] - [ -0.0002414700000000, -0.0001649500000000, -0.0026961200000000 ] - [ -0.0002365600000000, 0.0002846200000000, 0.0011618500000000 ] - [ 0.0001224600000000, -0.0002375000000000, 0.0007106100000000 ] - [ 0.0000585200000000, 0.0002038000000000, 0.0006080500000000 ] - [ 0.0021401900000000, -0.0022410500000000, -0.0003946700000000 ] - [ -0.0019547400000000, 0.0026052600000000, -0.0002241400000000 ] - [ 0.0021296900000000, -0.0001596000000000, -0.0077252700000000 ] - [ -0.0000920600000000, -0.0001313900000000, 0.0008654200000000 ] - [ -0.0000208600000000, -0.0000338000000000, 0.0008880100000000 ] - [ 0.0004394100000000, 0.0008622700000000, -0.0079135400000000 ] - [ -0.0000785400000000, -0.0001266900000000, 0.0008469600000000 ] - [ 0.0000713200000000, -0.0004581100000000, 0.0006305300000000 ] - [ -0.0000126800000000, -0.0001103300000000, 0.0008146600000000 ] - [ -0.0000318700000000, -0.0000135600000000, 0.0011518900000000 ] - [ -0.0003939300000000, 0.0016389200000000, 0.0031752700000000 ] - [ -0.0000330400000000, -0.0001137500000000, 0.0007453000000000 ] - [ -0.0001285700000000, 0.0000278300000000, 0.0008148500000000 ] - [ -0.0001848700000000, -0.0014392900000000, 0.0032475400000000 ] - [ -0.0003414200000000, 0.0030471500000000, 0.0000207300000000 ] - [ 0.0002028000000000, -0.0003062500000000, 0.0012527300000000 ] - [ 0.0001278900000000, 0.0000658000000000, 0.0012549700000000 ] - [ 0.0026642100000000, -0.0020232000000000, -0.0008727700000000 ] - [ -0.0001964400000000, -0.0002244400000000, -0.0022202400000000 ] - [ 0.0000437400000000, -0.0001899300000000, 0.0009611000000000 ] - [ -0.0016885000000000, -0.0026691300000000, -0.0004785100000000 ] - [ 0.0001819000000000, 0.0000552800000000, 0.0006924000000000 ] - [ -0.0000572300000000, -0.0001553800000000, 0.0005073700000000 ] - [ 0.0001192100000000, 0.0005433900000000, 0.0011292500000000 ] - [ 0.0000581800000000, -0.0002142500000000, 0.0006125500000000 ] - [ 0.0000350300000000, -0.0002606900000000, 0.0007973700000000 ] - [ -0.0002311100000000, -0.0018504100000000, 0.0034674200000000 ] - [ -0.0001928600000000, -0.0003223400000000, 0.0011681300000000 ] - [ -0.0000353700000000, 0.0009731700000000, -0.0010057000000000 ] - [ 0.0023930900000000, 0.0022406800000000, -0.0008529700000000 ] - [ -0.0001548900000000, 0.0001121600000000, 0.0030872400000000 ] - [ 0.0000801000000000, 0.0002299700000000, 0.0044465800000000 ] - [ -0.0000941400000000, -0.0006791600000000, 0.0024838300000000 ] - [ -0.0223807000000000, 0.0001909800000000, -0.0122987100000000 ] - [ -0.0214853900000000, 0.0003400700000000, -0.0139391600000000 ] - [ 0.0220873000000000, 0.0034249100000000, -0.1864933500000000 ] - [ -0.0002749900000000, -0.0001224700000000, -0.0030007300000000 ] - [ -0.0006371300000000, -0.0003278600000000, 0.0040633900000000 ] - [ 0.0309400800000000, -0.0090311900000000, -0.1722549600000000 ] - [ 0.0001791500000000, -0.0003033100000000, 0.0022268400000000 ] - [ 0.0006728400000000, -0.0005059100000000, 0.0035720200000000 ] - [ 0.0000042600000000, 0.0001549700000000, 0.0030226000000000 ] - [ 0.0011165300000000, 0.0006023000000000, -0.0040990800000000 ] - [ -0.0006394100000000, 0.0005459900000000, -0.0037171600000000 ] - [ -0.0001059600000000, -0.0000665600000000, -0.0025049800000000 ] - [ 0.0005222100000000, 0.0000231600000000, 0.0041160300000000 ] - [ 0.0008847400000000, 0.0020063500000000, -0.0013114500000000 ] - [ -0.0827434800000000, 0.0070218300000000, 0.4281012000000000 ] - [ -0.0008372100000000, 0.0017108200000000, -0.0012975500000000 ] - [ -0.0000236800000000, 0.0019358500000000, 0.0037508200000000 ] - [ 0.0006326700000000, -0.0011543400000000, -0.0018912200000000 ] - [ -0.0001020000000000, 0.0010304000000000, -0.0021001300000000 ] - [ 0.0011609300000000, -0.0020747000000000, -0.0012106700000000 ] - [ -0.0000504900000000, 0.0000565500000000, -0.0003376200000000 ] - [ -0.0004385800000000, -0.0002134800000000, -0.0008141300000000 ] - [ -0.0004649400000000, 0.0008295000000000, -0.0017985000000000 ] - [ -0.0062239600000000, -0.0298200800000000, -0.0110199200000000 ] - [ 0.0001009700000000, -0.0002471300000000, -0.0009520400000000 ] - [ -0.0008635000000000, -0.0013927000000000, -0.0012304000000000 ] - [ -0.0001761300000000, 0.0000234400000000, 0.0003845600000000 ] - [ 0.0005823200000000, -0.0008689900000000, -0.0020345400000000 ] - [ -0.0112197000000000, 0.0240541800000000, -0.0196105900000000 ] - [ 0.0475501500000000, 0.0024503500000000, 0.0033676800000000 ] - [ -0.0000320300000000, -0.0017074400000000, 0.0041781300000000 ] - [ 0.0006185700000000, -0.0025923200000000, 0.0006403300000000 ] - [ 0.0015412500000000, -0.0000270200000000, -0.0066860900000000 ] - [ 0.0012925100000000, -0.0001663700000000, -0.0048266300000000 ] - [ 0.0481103300000000, -0.0029820700000000, -0.0000394400000000 ] - [ -0.0128703100000000, -0.0259966300000000, -0.0167410800000000 ] - [ -0.0015546800000000, 0.0000177400000000, -0.0059539500000000 ] - [ -0.0005816000000000, -0.0014827200000000, 0.0044102600000000 ] - [ 0.0002609600000000, 0.0022780000000000, 0.0010192300000000 ] - [ 0.0003536200000000, -0.0007029600000000, 0.0048831800000000 ] - [ -0.0010556000000000, -0.0018635300000000, -0.0014741000000000 ] - [ -0.0003116700000000, -0.0012352900000000, -0.0024083000000000 ] - [ 0.0005081700000000, 0.0006840000000000, -0.0017554100000000 ] - [ 0.0000396900000000, -0.0001153800000000, -0.0015331400000000 ] - [ 0.0005260600000000, 0.0004874700000000, -0.0022939500000000 ] - [ -0.0008600100000000, -0.0005341500000000, 0.0054047600000000 ] - [ -0.0011312600000000, -0.0004247400000000, -0.0047169600000000 ] - [ 0.0089323400000000, 0.0014510900000000, 0.0269405700000000 ] - [ -0.0010591200000000, 0.0021483100000000, -0.0016810100000000 ] - [ -0.0004156600000000, 0.0009388300000000, -0.0028503000000000 ] - [ 0.0005843100000000, -0.0026186600000000, 0.0007288400000000 ] - [ 0.0003793500000000, -0.0004866800000000, 0.0020145900000000 ] - [ 0.0002292100000000, -0.0011571500000000, -0.0012600700000000 ] - [ 0.0008894000000000, 0.0018573400000000, -0.0012450500000000 ] - [ 0.0011858100000000, -0.0020055300000000, -0.0011909600000000 ] - [ -0.0005162200000000, -0.0013207200000000, -0.0026731900000000 ] - [ 0.0009158400000000, 0.0026603200000000, 0.0009907000000000 ] - [ -0.0002019800000000, -0.0011793800000000, -0.0012132200000000 ] - [ -0.0089635900000000, 0.0301118900000000, -0.0106231900000000 ] - [ -0.0004105500000000, 0.0020575000000000, 0.0036106100000000 ] - [ 0.0002040800000000, 0.0009792200000000, -0.0015099900000000 ]- atom: 68 displacement: [ 0.0099999995909515, 0.0000000000000000, -0.0000028602394792 ] forces: - [ -0.0001631000000000, 0.0001149700000000, -0.0000664600000000 ] - [ -0.0001992600000000, -0.0003068200000000, -0.0003023200000000 ] - [ 0.0000308200000000, 0.0003217900000000, 0.0001472600000000 ] - [ 0.0003439900000000, 0.0000711900000000, -0.0002665900000000 ] - [ 0.0001009400000000, -0.0002125700000000, -0.0002358700000000 ] - [ 0.0023807800000000, -0.0010941000000000, 0.0004480800000000 ] - [ -0.0008832300000000, -0.0006125800000000, 0.0020950100000000 ] - [ 0.0001310300000000, -0.0002826100000000, -0.0000081200000000 ] - [ -0.0008181100000000, 0.0006952700000000, 0.0001795300000000 ] - [ -0.0008132100000000, -0.0000482200000000, 0.0001552600000000 ] - [ -0.0006586700000000, -0.0003810000000000, 0.0001436800000000 ] - [ -0.0005499800000000, 0.0025624100000000, -0.0003015700000000 ] - [ -0.0007148900000000, 0.0001191200000000, 0.0001233800000000 ] - [ -0.0000406200000000, 0.0000506000000000, -0.0000059800000000 ] - [ 0.0091413900000000, 0.0055041700000000, -0.0005555900000000 ] - [ -0.0000473400000000, 0.0002009200000000, -0.0003163400000000 ] - [ 0.0000635400000000, -0.0000775900000000, -0.0001619500000000 ] - [ 0.0000494100000000, 0.0001703200000000, -0.0004651000000000 ] - [ -0.0002973100000000, -0.0000965600000000, 0.0000786600000000 ] - [ 0.0013539700000000, 0.0006572700000000, 0.0011553500000000 ] - [ 0.0002059300000000, -0.0011724500000000, 0.0003822300000000 ] - [ -0.0000747500000000, -0.0001304900000000, 0.0000102000000000 ] - [ 0.0000098200000000, -0.0000132500000000, -0.0000520100000000 ] - [ -0.0003030600000000, 0.0000763900000000, 0.0000564600000000 ] - [ -0.0000005500000000, 0.0000316700000000, -0.0000967400000000 ] - [ -0.0000892700000000, -0.0002745800000000, -0.0005101700000000 ] - [ -0.0000271200000000, -0.0001995400000000, -0.0000518400000000 ] - [ 0.0000210000000000, -0.0001746100000000, 0.0001643200000000 ] - [ 0.0000239100000000, 0.0001133000000000, 0.0002476500000000 ] - [ -0.0000060900000000, -0.0002975200000000, -0.0001094000000000 ] - [ -0.0001341100000000, 0.0000163200000000, -0.0000204300000000 ] - [ 0.0000218900000000, -0.0000388700000000, 0.0002992800000000 ] - [ -0.0002478600000000, 0.0003906800000000, -0.0007529200000000 ] - [ 0.0000414300000000, -0.0001739700000000, -0.0000005500000000 ] - [ 0.0000027600000000, -0.0000695600000000, -0.0000939500000000 ] - [ 0.0028217400000000, -0.0012970200000000, -0.0022941800000000 ] - [ 0.0010763200000000, 0.0006247800000000, 0.0002548700000000 ] - [ 0.0001288700000000, -0.0000823100000000, -0.0000585700000000 ] - [ -0.0000753400000000, -0.0005972500000000, -0.0003973300000000 ] - [ 0.0001342700000000, -0.0000329700000000, -0.0001380200000000 ] - [ -0.0000539600000000, -0.0001443900000000, -0.0002920400000000 ] - [ 0.0000926800000000, 0.0003546500000000, 0.0001698600000000 ] - [ 0.0000248700000000, -0.0001518800000000, -0.0001118200000000 ] - [ 0.0000138900000000, -0.0002560400000000, -0.0000170200000000 ] - [ -0.0001658600000000, -0.0001128300000000, -0.0000334800000000 ] - [ -0.0000250000000000, -0.0001540800000000, -0.0003803300000000 ] - [ -0.0026518100000000, 0.0013733600000000, 0.0049149700000000 ] - [ 0.0004929300000000, 0.0000176100000000, 0.0009971900000000 ] - [ 0.0002621700000000, -0.0001291000000000, -0.0002787300000000 ] - [ 0.0002374400000000, -0.0001705000000000, -0.0001002800000000 ] - [ 0.0003221800000000, 0.0000604400000000, -0.0006731100000000 ] - [ -0.0015778200000000, -0.0017746600000000, 0.0012211600000000 ] - [ 0.0011245600000000, -0.0024307500000000, 0.0002576000000000 ] - [ -0.0010507800000000, 0.0007841200000000, -0.0001896500000000 ] - [ -0.0011560500000000, -0.0013837000000000, -0.0029561800000000 ] - [ -0.0001554800000000, -0.0000651200000000, -0.0003886000000000 ] - [ 0.0008172600000000, 0.0004089500000000, 0.0000745700000000 ] - [ -0.0001342000000000, -0.0004141700000000, -0.0012064800000000 ] - [ 0.0001228500000000, -0.0001697800000000, -0.0004131200000000 ] - [ -0.0001973300000000, -0.0002606100000000, -0.0003691600000000 ] - [ -0.0109427300000000, 0.0042326700000000, 0.0016564000000000 ] - [ 0.0949911900000000, 0.0831570700000000, 0.0643683100000000 ] - [ 0.0002133500000000, 0.0002152500000000, -0.0004685700000000 ] - [ -0.0001009800000000, -0.0001430800000000, -0.0000123100000000 ] - [ 0.0004646200000000, 0.0001300700000000, 0.0000537300000000 ] - [ -0.0000181100000000, 0.0001123400000000, -0.0000621500000000 ] - [ -0.0001005500000000, 0.0001392400000000, 0.0000362800000000 ] - [ -0.1032252100000000, -0.1050628100000000, -0.0714542300000000 ] - [ -0.0000577800000000, -0.0001367100000000, 0.0002579500000000 ] - [ 0.0000845400000000, -0.0002553000000000, -0.0000292000000000 ] - [ 0.0003002400000000, -0.0006789600000000, 0.0009787900000000 ] - [ -0.0005648200000000, 0.0000157700000000, 0.0005488900000000 ] - [ -0.0001239000000000, -0.0002249000000000, 0.0002998600000000 ] - [ 0.0000491000000000, -0.0002495300000000, 0.0001961400000000 ] - [ 0.0000412400000000, -0.0007377600000000, -0.0000690400000000 ] - [ 0.0001589200000000, -0.0002238800000000, -0.0001558000000000 ] - [ 0.0000871600000000, -0.0000556000000000, 0.0001213700000000 ] - [ -0.0003665500000000, 0.0000073500000000, 0.0012763300000000 ] - [ 0.0000032100000000, 0.0002117300000000, 0.0001797900000000 ] - [ 0.0001421800000000, 0.0005527900000000, 0.0000353300000000 ] - [ -0.0018351600000000, 0.0008392000000000, 0.0001605800000000 ] - [ 0.0016761200000000, 0.0005555200000000, -0.0007045500000000 ] - [ 0.0003225200000000, 0.0025374900000000, -0.0015694500000000 ] - [ -0.0001792700000000, -0.0001062100000000, 0.0003689500000000 ] - [ -0.0001085800000000, -0.0000979600000000, 0.0006642000000000 ] - [ 0.0024840600000000, 0.0000203700000000, -0.0002901100000000 ] - [ 0.0004764500000000, 0.0005134200000000, -0.0004450400000000 ] - [ 0.0000494200000000, -0.0002391900000000, 0.0004286800000000 ] - [ -0.0126666000000000, 0.0124844700000000, -0.0133991000000000 ] - [ 0.0003085600000000, 0.0015135300000000, -0.0003676800000000 ] - [ 0.0008184000000000, 0.0002319500000000, 0.0004648700000000 ] - [ -0.0004720300000000, -0.0001961500000000, -0.0001445000000000 ] - [ 0.0000868500000000, 0.0001248900000000, 0.0002869700000000 ] - [ -0.0000604200000000, -0.0003921200000000, 0.0001429800000000 ] - [ 0.0000970500000000, -0.0000880200000000, -0.0002195400000000 ] - [ -0.0001065500000000, -0.0003805700000000, 0.0001304900000000 ] - [ -0.0099728700000000, -0.0062979500000000, 0.0113867800000000 ] - [ 0.0002310700000000, -0.0001739900000000, 0.0007824100000000 ] - [ -0.0002391000000000, 0.0010334000000000, -0.0008823900000000 ] - [ -0.0003789300000000, -0.0001053100000000, 0.0000044300000000 ] - [ 0.0001779000000000, -0.0001654700000000, 0.0001085900000000 ] - [ -0.0009998300000000, 0.0003508000000000, -0.0001175900000000 ] - [ 0.0195484200000000, 0.0090214500000000, 0.0069733300000000 ] - [ 0.0000055300000000, 0.0001169300000000, 0.0002794600000000 ] - [ 0.0006257700000000, 0.0012140500000000, 0.0004165200000000 ] - [ 0.0008170200000000, -0.0001006000000000, 0.0005655000000000 ] - [ 0.0000450000000000, -0.0000272700000000, 0.0001594600000000 ] - [ 0.0014597400000000, 0.0036326500000000, 0.0010959000000000 ] - [ -0.0000283800000000, 0.0000074600000000, 0.0003051100000000 ] - [ 0.0008182800000000, -0.0015644500000000, -0.0005880200000000 ] - [ 0.0077346000000000, -0.0045093100000000, -0.0026918400000000 ] - [ -0.0000526300000000, -0.0001950000000000, 0.0000321400000000 ]- atom: 68 displacement: [ -0.0099999995909515, 0.0000000000000000, 0.0000028602394792 ] forces: - [ 0.0001875300000000, 0.0001354300000000, 0.0005053400000000 ] - [ -0.0003237900000000, -0.0002870200000000, 0.0001700900000000 ] - [ 0.0004914100000000, 0.0002724900000000, -0.0000125400000000 ] - [ -0.0003658200000000, 0.0001797800000000, -0.0001668500000000 ] - [ -0.0001236800000000, -0.0000368200000000, -0.0001996700000000 ] - [ -0.0030235800000000, 0.0017739600000000, -0.0006802900000000 ] - [ 0.0009101400000000, 0.0003614400000000, -0.0016600600000000 ] - [ 0.0003907900000000, -0.0003113000000000, 0.0001436300000000 ] - [ 0.0008607900000000, -0.0004803900000000, -0.0001706000000000 ] - [ 0.0009328600000000, 0.0003314000000000, 0.0000386800000000 ] - [ 0.0006630500000000, 0.0009462200000000, -0.0002200600000000 ] - [ 0.0006497900000000, -0.0026463800000000, 0.0002803200000000 ] - [ 0.0004600700000000, -0.0000679500000000, -0.0000090000000000 ] - [ 0.0002178500000000, -0.0002481900000000, 0.0001756000000000 ] - [ -0.0094849400000000, -0.0057640300000000, 0.0004338900000000 ] - [ -0.0001285200000000, -0.0000061600000000, 0.0001493200000000 ] - [ 0.0000579700000000, -0.0000878100000000, -0.0000011600000000 ] - [ -0.0000879200000000, -0.0003937700000000, 0.0004568200000000 ] - [ 0.0001756900000000, 0.0002642400000000, 0.0000847600000000 ] - [ -0.0013518500000000, -0.0001040900000000, -0.0010755900000000 ] - [ -0.0001837600000000, 0.0015157100000000, 0.0000824600000000 ] - [ -0.0000456600000000, -0.0000366900000000, 0.0001541400000000 ] - [ -0.0000088100000000, 0.0000482200000000, 0.0000794100000000 ] - [ 0.0002697900000000, 0.0002971500000000, -0.0000472900000000 ] - [ -0.0000009000000000, 0.0000039300000000, 0.0000718500000000 ] - [ -0.0000289500000000, -0.0000052200000000, 0.0003194200000000 ] - [ -0.0000060500000000, -0.0001730100000000, 0.0000632600000000 ] - [ 0.0000015000000000, -0.0001568800000000, 0.0003051900000000 ] - [ 0.0001527700000000, 0.0000829300000000, -0.0000788800000000 ] - [ 0.0000035800000000, -0.0002657200000000, 0.0000359800000000 ] - [ -0.0001227200000000, -0.0000686600000000, 0.0001407800000000 ] - [ 0.0000753900000000, -0.0000446900000000, -0.0001023200000000 ] - [ 0.0002291900000000, -0.0000615500000000, 0.0002825500000000 ] - [ 0.0000784300000000, -0.0001083900000000, 0.0001981500000000 ] - [ 0.0000348200000000, -0.0001496800000000, 0.0001079500000000 ] - [ -0.0029123900000000, 0.0013875100000000, 0.0021121800000000 ] - [ -0.0008258100000000, -0.0005788600000000, -0.0003750400000000 ] - [ -0.0002509400000000, 0.0003677600000000, -0.0001374800000000 ] - [ 0.0000768600000000, 0.0005678600000000, 0.0004246400000000 ] - [ 0.0001234800000000, -0.0000199100000000, 0.0000186100000000 ] - [ 0.0000318700000000, -0.0001883600000000, -0.0001756000000000 ] - [ -0.0001301300000000, -0.0001391300000000, -0.0001829200000000 ] - [ 0.0000084700000000, -0.0002213500000000, 0.0001028400000000 ] - [ -0.0000110000000000, -0.0003081400000000, 0.0000920500000000 ] - [ 0.0002661900000000, 0.0001930100000000, 0.0002213000000000 ] - [ -0.0000722600000000, 0.0000787800000000, 0.0001979900000000 ] - [ 0.0026649700000000, -0.0010024700000000, -0.0049371300000000 ] - [ -0.0006698600000000, -0.0002132200000000, -0.0011755300000000 ] - [ 0.0001838300000000, -0.0001076700000000, 0.0005544700000000 ] - [ 0.0003352100000000, -0.0000531400000000, 0.0004438400000000 ] - [ -0.0009002400000000, -0.0002821500000000, 0.0003385500000000 ] - [ 0.0014368400000000, 0.0019622000000000, -0.0007464700000000 ] - [ -0.0009388100000000, 0.0028555900000000, -0.0005260700000000 ] - [ 0.0016224300000000, -0.0005482100000000, 0.0005173500000000 ] - [ 0.0005538100000000, 0.0016012000000000, 0.0026746200000000 ] - [ -0.0002905600000000, -0.0001690600000000, 0.0001228700000000 ] - [ -0.0012647000000000, -0.0001687300000000, -0.0003504600000000 ] - [ 0.0002761200000000, 0.0002258500000000, 0.0007509900000000 ] - [ 0.0000647300000000, -0.0002484400000000, 0.0001507000000000 ] - [ 0.0000125000000000, -0.0001576200000000, 0.0006410200000000 ] - [ 0.0107574900000000, -0.0037812500000000, -0.0013831300000000 ] - [ -0.0946106000000000, -0.0811760800000000, -0.0628162000000000 ] - [ -0.0000871700000000, -0.0000216000000000, -0.0000095500000000 ] - [ -0.0000401300000000, -0.0000509600000000, 0.0004867600000000 ] - [ -0.0006679500000000, -0.0000793700000000, -0.0001235600000000 ] - [ -0.0001174900000000, 0.0000871200000000, -0.0001183200000000 ] - [ -0.0000995700000000, -0.0001947900000000, -0.0001030700000000 ] - [ 0.1037581700000000, 0.1038560100000000, 0.0700603200000000 ] - [ 0.0000177800000000, -0.0003929600000000, -0.0000802000000000 ] - [ -0.0000047700000000, 0.0000286800000000, -0.0002386000000000 ] - [ -0.0005395700000000, 0.0007182200000000, -0.0008402600000000 ] - [ 0.0004907900000000, 0.0001802500000000, -0.0000947900000000 ] - [ -0.0000306600000000, -0.0002172100000000, 0.0002226000000000 ] - [ -0.0000513300000000, 0.0000360800000000, -0.0003622900000000 ] - [ 0.0000388100000000, 0.0009676200000000, -0.0001913300000000 ] - [ -0.0000048900000000, -0.0002186600000000, -0.0003688700000000 ] - [ -0.0000448600000000, 0.0005941700000000, -0.0002165600000000 ] - [ 0.0002658000000000, -0.0002031700000000, -0.0008250700000000 ] - [ 0.0001985200000000, -0.0001620600000000, -0.0001141400000000 ] - [ -0.0001414000000000, -0.0003435200000000, 0.0001303800000000 ] - [ 0.0016845200000000, -0.0004014900000000, 0.0003642500000000 ] - [ -0.0016217000000000, -0.0004647000000000, 0.0009030700000000 ] - [ -0.0003793600000000, -0.0024545300000000, 0.0013811800000000 ] - [ 0.0000490800000000, -0.0000975300000000, -0.0005679700000000 ] - [ 0.0002424700000000, -0.0001054900000000, -0.0004784500000000 ] - [ -0.0023729200000000, 0.0001736200000000, -0.0001697900000000 ] - [ -0.0002462600000000, -0.0004861300000000, 0.0003031300000000 ] - [ -0.0001793500000000, -0.0001996400000000, -0.0005028400000000 ] - [ 0.0125844000000000, -0.0122910400000000, 0.0135700300000000 ] - [ -0.0003488300000000, -0.0009890400000000, 0.0005501600000000 ] - [ -0.0006879300000000, 0.0002038500000000, -0.0003829600000000 ] - [ 0.0002383900000000, 0.0001637600000000, 0.0002851900000000 ] - [ -0.0000871100000000, -0.0002906800000000, -0.0000983800000000 ] - [ 0.0001016300000000, -0.0001352400000000, -0.0003250200000000 ] - [ 0.0000098800000000, -0.0001067500000000, -0.0002399300000000 ] - [ 0.0000659500000000, -0.0001520800000000, -0.0000371700000000 ] - [ 0.0101203000000000, 0.0064486600000000, -0.0112779800000000 ] - [ -0.0001039200000000, -0.0002656400000000, -0.0007242600000000 ] - [ 0.0001096300000000, -0.0005985200000000, 0.0008165900000000 ] - [ 0.0003787000000000, -0.0000593700000000, -0.0001942600000000 ] - [ 0.0000556300000000, 0.0001350600000000, -0.0002518000000000 ] - [ 0.0009609100000000, 0.0001898400000000, 0.0002148800000000 ] - [ -0.0193751200000000, -0.0084114600000000, -0.0073648600000000 ] - [ 0.0000511300000000, -0.0002113700000000, -0.0000836600000000 ] - [ -0.0006215200000000, -0.0010626700000000, -0.0006191800000000 ] - [ -0.0007781400000000, -0.0004352200000000, -0.0006702100000000 ] - [ -0.0000447100000000, -0.0001899300000000, 0.0000003800000000 ] - [ -0.0012491300000000, -0.0036783300000000, -0.0010292000000000 ] - [ -0.0000517200000000, -0.0002365600000000, -0.0000404500000000 ] - [ -0.0008062300000000, 0.0017070000000000, 0.0007710300000000 ] - [ -0.0077300800000000, 0.0050293600000000, 0.0025036500000000 ] - [ -0.0000026600000000, 0.0001039700000000, -0.0002318700000000 ]- atom: 68 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001567300000000, 0.0000922500000000, -0.0003026100000000 ] - [ -0.0002039400000000, -0.0003188700000000, -0.0006688100000000 ] - [ 0.0001908400000000, 0.0003857400000000, 0.0004967800000000 ] - [ 0.0000933000000000, -0.0002918500000000, -0.0009230200000000 ] - [ 0.0000424900000000, -0.0002871100000000, 0.0000244800000000 ] - [ -0.0011531800000000, 0.0050107600000000, -0.0003847600000000 ] - [ 0.0005155300000000, 0.0008389000000000, 0.0007301600000000 ] - [ 0.0002109600000000, -0.0003471600000000, -0.0003614000000000 ] - [ 0.0000117900000000, -0.0004554500000000, 0.0004341200000000 ] - [ -0.0000665700000000, 0.0008776700000000, 0.0004263200000000 ] - [ -0.0013079200000000, -0.0011892700000000, 0.0005322400000000 ] - [ 0.0061228200000000, 0.0012550200000000, 0.0008647500000000 ] - [ -0.0003580200000000, 0.0008680500000000, 0.0000988300000000 ] - [ -0.0000477800000000, 0.0004373200000000, 0.0002920000000000 ] - [ 0.0030559600000000, 0.0061814300000000, -0.0002675100000000 ] - [ -0.0000475800000000, 0.0003498400000000, -0.0004775300000000 ] - [ 0.0000471500000000, -0.0001296900000000, -0.0002358200000000 ] - [ -0.0000329100000000, -0.0002941300000000, -0.0001036300000000 ] - [ -0.0001756900000000, -0.0006822000000000, 0.0000487400000000 ] - [ 0.0004235300000000, 0.0006577100000000, 0.0056914000000000 ] - [ 0.0001406500000000, -0.0036629100000000, 0.0007759800000000 ] - [ -0.0000674600000000, -0.0000328600000000, -0.0000657800000000 ] - [ 0.0000093400000000, 0.0000123600000000, -0.0001957300000000 ] - [ -0.0001417000000000, -0.0004488400000000, 0.0001234200000000 ] - [ 0.0000162500000000, -0.0000268900000000, -0.0001780200000000 ] - [ -0.0002399300000000, 0.0000681800000000, -0.0005880000000000 ] - [ -0.0000248600000000, -0.0001648400000000, -0.0001227200000000 ] - [ 0.0000200000000000, -0.0001528000000000, 0.0001045600000000 ] - [ 0.0001127400000000, -0.0000462500000000, -0.0000713900000000 ] - [ 0.0000104800000000, -0.0002434300000000, -0.0001842400000000 ] - [ -0.0001392400000000, -0.0000802300000000, -0.0000749400000000 ] - [ 0.0001989300000000, 0.0001425000000000, -0.0003499700000000 ] - [ -0.0000110100000000, 0.0012810100000000, -0.0001787100000000 ] - [ 0.0000437000000000, -0.0003143300000000, -0.0001475900000000 ] - [ 0.0000029300000000, 0.0000781200000000, -0.0002178700000000 ] - [ -0.0004023200000000, 0.0038195500000000, 0.0004192900000000 ] - [ 0.0018059200000000, -0.0013265300000000, -0.0004172900000000 ] - [ 0.0002071200000000, -0.0005328000000000, 0.0000374100000000 ] - [ -0.0000335400000000, -0.0015749100000000, -0.0010380300000000 ] - [ 0.0001150300000000, 0.0000260700000000, -0.0002130000000000 ] - [ 0.0000179400000000, -0.0001495400000000, -0.0003526700000000 ] - [ 0.0000929100000000, 0.0008235000000000, 0.0002959900000000 ] - [ -0.0000068200000000, -0.0002027800000000, -0.0001403400000000 ] - [ 0.0000129200000000, -0.0003073200000000, -0.0000970300000000 ] - [ -0.0002707600000000, -0.0005246700000000, 0.0000895300000000 ] - [ -0.0000267200000000, -0.0003306500000000, -0.0006164400000000 ] - [ -0.0009430500000000, 0.0030592800000000, 0.0019875900000000 ] - [ -0.0003747300000000, -0.0008618600000000, 0.0018934100000000 ] - [ 0.0003295900000000, -0.0000762800000000, -0.0006047200000000 ] - [ 0.0002321800000000, -0.0002766000000000, -0.0003429000000000 ] - [ -0.0006045800000000, 0.0011671000000000, -0.0009248000000000 ] - [ -0.0003414900000000, -0.0036408300000000, 0.0009861200000000 ] - [ -0.0003493100000000, -0.0036327500000000, 0.0013980900000000 ] - [ 0.0001186000000000, -0.0031169000000000, 0.0014409000000000 ] - [ 0.0016282900000000, -0.0016853400000000, -0.0076306900000000 ] - [ -0.0001365000000000, -0.0001522500000000, -0.0007273800000000 ] - [ 0.0008511300000000, -0.0027039200000000, 0.0014665800000000 ] - [ -0.0000637900000000, -0.0001139700000000, -0.0006530500000000 ] - [ 0.0000620400000000, -0.0002061400000000, -0.0007152000000000 ] - [ -0.0001320400000000, -0.0002292600000000, -0.0004078100000000 ] - [ -0.0099080600000000, -0.0004033000000000, -0.0009396100000000 ] - [ 0.0865911100000000, 0.1940490400000000, 0.1035736200000000 ] - [ 0.0010670500000000, 0.0001330600000000, -0.0015617700000000 ] - [ -0.0000700100000000, -0.0001709200000000, -0.0002410500000000 ] - [ -0.0000673800000000, -0.0003851000000000, 0.0000692200000000 ] - [ -0.0000184600000000, 0.0010936500000000, -0.0019399300000000 ] - [ -0.0003179500000000, 0.0011759200000000, 0.0003351400000000 ] - [ -0.1065480900000000, -0.2201517200000000, -0.1231282700000000 ] - [ -0.0001065100000000, -0.0000994400000000, 0.0005177500000000 ] - [ 0.0000591500000000, -0.0002005800000000, 0.0001141000000000 ] - [ 0.0005933400000000, -0.0019015300000000, 0.0012055000000000 ] - [ -0.0028621700000000, -0.0001310900000000, 0.0008704300000000 ] - [ -0.0000825600000000, -0.0002225200000000, 0.0004598000000000 ] - [ 0.0001378400000000, -0.0003008900000000, 0.0004488400000000 ] - [ -0.0008686400000000, 0.0005564000000000, -0.0014272700000000 ] - [ 0.0000438100000000, -0.0002196400000000, -0.0000632800000000 ] - [ -0.0002473700000000, -0.0011105300000000, 0.0005119100000000 ] - [ 0.0003047300000000, -0.0001165300000000, 0.0000633700000000 ] - [ -0.0000124600000000, 0.0004943300000000, 0.0002665100000000 ] - [ -0.0004430700000000, 0.0026354000000000, -0.0008142200000000 ] - [ -0.0008785400000000, 0.0022539500000000, -0.0004365000000000 ] - [ 0.0003523600000000, 0.0022925600000000, -0.0007486000000000 ] - [ 0.0011597100000000, 0.0019936900000000, -0.0022375400000000 ] - [ -0.0002990800000000, -0.0001118000000000, 0.0008398500000000 ] - [ -0.0001953500000000, -0.0001555800000000, 0.0013170100000000 ] - [ 0.0003807900000000, 0.0004650700000000, -0.0004359300000000 ] - [ 0.0014182700000000, 0.0023718100000000, 0.0001033800000000 ] - [ 0.0001630500000000, -0.0002617000000000, 0.0008721300000000 ] - [ -0.0030957700000000, 0.0263356200000000, -0.0044161500000000 ] - [ 0.0007027400000000, 0.0028825200000000, -0.0008673700000000 ] - [ 0.0010664000000000, 0.0000171600000000, 0.0021246900000000 ] - [ -0.0003118300000000, -0.0002214900000000, -0.0002645400000000 ] - [ 0.0001339200000000, 0.0004228400000000, 0.0003947100000000 ] - [ -0.0000951200000000, -0.0003751000000000, 0.0002998200000000 ] - [ 0.0000684600000000, -0.0000894800000000, -0.0002856600000000 ] - [ -0.0001264700000000, -0.0006081900000000, 0.0001743400000000 ] - [ -0.0106827100000000, -0.0095062300000000, 0.0243303800000000 ] - [ 0.0002695400000000, -0.0001642800000000, 0.0008785700000000 ] - [ 0.0002844100000000, 0.0016269300000000, -0.0014741100000000 ] - [ 0.0000899300000000, -0.0013763600000000, 0.0015939300000000 ] - [ 0.0001869300000000, -0.0003354100000000, 0.0001246200000000 ] - [ -0.0014624500000000, 0.0030836800000000, 0.0004577800000000 ] - [ 0.0294214800000000, -0.0085822300000000, -0.0044072500000000 ] - [ -0.0000153100000000, 0.0000565700000000, 0.0003803300000000 ] - [ 0.0002916200000000, 0.0028672300000000, 0.0010046400000000 ] - [ -0.0001652000000000, -0.0001406500000000, 0.0000100200000000 ] - [ 0.0000863000000000, 0.0000654000000000, 0.0005203900000000 ] - [ 0.0036978100000000, 0.0044499200000000, 0.0016204500000000 ] - [ 0.0000012600000000, -0.0000027500000000, 0.0004415800000000 ] - [ -0.0036839000000000, 0.0036854800000000, 0.0013521100000000 ] - [ 0.0051626000000000, -0.0041260600000000, -0.0014307400000000 ] - [ -0.0000530400000000, -0.0001551000000000, 0.0001656000000000 ]- atom: 68 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001798500000000, 0.0001587900000000, 0.0007363400000000 ] - [ -0.0003187100000000, -0.0002769300000000, 0.0005334700000000 ] - [ 0.0003302200000000, 0.0002087700000000, -0.0003665700000000 ] - [ -0.0001145000000000, 0.0005424900000000, 0.0004894800000000 ] - [ -0.0000639500000000, 0.0000350300000000, -0.0004624400000000 ] - [ 0.0005483100000000, -0.0043630300000000, 0.0001864600000000 ] - [ -0.0004772600000000, -0.0010832600000000, -0.0003025800000000 ] - [ 0.0003110500000000, -0.0002490300000000, 0.0004946600000000 ] - [ 0.0000231700000000, 0.0006827300000000, -0.0004177700000000 ] - [ 0.0001847500000000, -0.0005991300000000, -0.0002408700000000 ] - [ 0.0012914500000000, 0.0017536700000000, -0.0006004600000000 ] - [ -0.0060439400000000, -0.0013526600000000, -0.0008807800000000 ] - [ 0.0000987300000000, -0.0008149400000000, 0.0000241200000000 ] - [ 0.0002235600000000, -0.0006345800000000, -0.0001222300000000 ] - [ -0.0032829400000000, -0.0061975400000000, 0.0001231500000000 ] - [ -0.0001283700000000, -0.0001528600000000, 0.0003038100000000 ] - [ 0.0000687600000000, -0.0000367900000000, 0.0000703100000000 ] - [ -0.0000040600000000, 0.0000746300000000, 0.0000894400000000 ] - [ 0.0000579500000000, 0.0008500200000000, 0.0001175700000000 ] - [ -0.0004192500000000, -0.0001144600000000, -0.0056005100000000 ] - [ -0.0001152400000000, 0.0039952600000000, -0.0003002700000000 ] - [ -0.0000531800000000, -0.0001345000000000, 0.0002271000000000 ] - [ -0.0000122500000000, 0.0000188700000000, 0.0002219100000000 ] - [ 0.0001069000000000, 0.0008219100000000, -0.0001119000000000 ] - [ -0.0000137300000000, 0.0000597000000000, 0.0001496900000000 ] - [ 0.0001201900000000, -0.0003544200000000, 0.0004007000000000 ] - [ -0.0000088400000000, -0.0002066800000000, 0.0001322600000000 ] - [ 0.0000021600000000, -0.0001763300000000, 0.0003615300000000 ] - [ 0.0000643600000000, 0.0002474200000000, 0.0002424700000000 ] - [ -0.0000116600000000, -0.0003216200000000, 0.0001056900000000 ] - [ -0.0001181200000000, 0.0000248900000000, 0.0001968300000000 ] - [ -0.0001000200000000, -0.0002260800000000, 0.0005369600000000 ] - [ -0.0000113300000000, -0.0009514200000000, -0.0002889700000000 ] - [ 0.0000771900000000, 0.0000288000000000, 0.0003363300000000 ] - [ 0.0000333200000000, -0.0002982000000000, 0.0002269800000000 ] - [ 0.0003361300000000, -0.0038182100000000, -0.0008203100000000 ] - [ -0.0015407300000000, 0.0013886600000000, 0.0002990400000000 ] - [ -0.0003296700000000, 0.0008178400000000, -0.0002292100000000 ] - [ 0.0000357700000000, 0.0015379600000000, 0.0010481900000000 ] - [ 0.0001428200000000, -0.0000821100000000, 0.0000891800000000 ] - [ -0.0000397900000000, -0.0001799900000000, -0.0001169600000000 ] - [ -0.0001278000000000, -0.0006035100000000, -0.0003062100000000 ] - [ 0.0000404300000000, -0.0001686100000000, 0.0001290600000000 ] - [ -0.0000119000000000, -0.0002563500000000, 0.0001733400000000 ] - [ 0.0003688800000000, 0.0006049400000000, 0.0000977800000000 ] - [ -0.0000709800000000, 0.0002501200000000, 0.0004269100000000 ] - [ 0.0009516300000000, -0.0026832800000000, -0.0019594200000000 ] - [ 0.0002003800000000, 0.0006715900000000, -0.0020596900000000 ] - [ 0.0001192700000000, -0.0001596200000000, 0.0008717300000000 ] - [ 0.0003447900000000, 0.0000515600000000, 0.0006769300000000 ] - [ 0.0000296200000000, -0.0013826600000000, 0.0005763300000000 ] - [ 0.0001976600000000, 0.0038230000000000, -0.0004965100000000 ] - [ 0.0005606900000000, 0.0040505000000000, -0.0016790500000000 ] - [ 0.0004540700000000, 0.0033302800000000, -0.0010829900000000 ] - [ -0.0021991200000000, 0.0018828200000000, 0.0072804400000000 ] - [ -0.0003106800000000, -0.0000799800000000, 0.0004498500000000 ] - [ -0.0013125800000000, 0.0029341800000000, -0.0017463600000000 ] - [ 0.0002026600000000, -0.0000774200000000, 0.0001788500000000 ] - [ 0.0001289200000000, -0.0002097500000000, 0.0004399900000000 ] - [ -0.0000574100000000, -0.0001904900000000, 0.0006721600000000 ] - [ 0.0096854900000000, 0.0008264600000000, 0.0012107000000000 ] - [ -0.0818767400000000, -0.1878935600000000, -0.0982611600000000 ] - [ -0.0009165400000000, 0.0000615700000000, 0.0010942200000000 ] - [ -0.0000741000000000, -0.0000230700000000, 0.0007059800000000 ] - [ -0.0001320200000000, 0.0004385400000000, -0.0001337300000000 ] - [ -0.0000980700000000, -0.0008938300000000, 0.0017304500000000 ] - [ 0.0001180600000000, -0.0012276400000000, -0.0004012400000000 ] - [ 0.1024973900000000, 0.2147676000000000, 0.1180671200000000 ] - [ 0.0000602300000000, -0.0004195900000000, -0.0003331500000000 ] - [ 0.0000219700000000, -0.0000406600000000, -0.0003743100000000 ] - [ -0.0008312900000000, 0.0019298900000000, -0.0010614100000000 ] - [ 0.0027392800000000, 0.0003258800000000, -0.0004070100000000 ] - [ -0.0000716800000000, -0.0002174400000000, 0.0000631000000000 ] - [ -0.0001424700000000, 0.0000889800000000, -0.0006120700000000 ] - [ 0.0009560300000000, -0.0003163400000000, 0.0011709000000000 ] - [ 0.0001096400000000, -0.0002211500000000, -0.0004590500000000 ] - [ 0.0002901800000000, 0.0016440400000000, -0.0006045300000000 ] - [ -0.0004103400000000, -0.0000765800000000, 0.0004016800000000 ] - [ 0.0002114200000000, -0.0004413700000000, -0.0001961500000000 ] - [ 0.0004513200000000, -0.0024212800000000, 0.0009831400000000 ] - [ 0.0007194300000000, -0.0018158300000000, 0.0009718300000000 ] - [ -0.0002979700000000, -0.0021918700000000, 0.0009363400000000 ] - [ -0.0012255300000000, -0.0018815900000000, 0.0020455900000000 ] - [ 0.0001652500000000, -0.0000889100000000, -0.0010246800000000 ] - [ 0.0003247500000000, -0.0000453000000000, -0.0011143000000000 ] - [ -0.0002688000000000, -0.0002710200000000, -0.0000255100000000 ] - [ -0.0011820000000000, -0.0023427700000000, -0.0002504000000000 ] - [ -0.0002894900000000, -0.0001761900000000, -0.0009343500000000 ] - [ 0.0030649000000000, -0.0258249300000000, 0.0047233100000000 ] - [ -0.0007488600000000, -0.0023586000000000, 0.0010507200000000 ] - [ -0.0009353000000000, 0.0004189800000000, -0.0020517800000000 ] - [ 0.0000749600000000, 0.0001849900000000, 0.0004084800000000 ] - [ -0.0001318100000000, -0.0005851100000000, -0.0002029100000000 ] - [ 0.0001393500000000, -0.0001493700000000, -0.0004791600000000 ] - [ 0.0000393900000000, -0.0001046800000000, -0.0001715000000000 ] - [ 0.0000829400000000, 0.0000701300000000, -0.0000751200000000 ] - [ 0.0106486100000000, 0.0095520100000000, -0.0239932100000000 ] - [ -0.0001384300000000, -0.0002726200000000, -0.0008014400000000 ] - [ -0.0004280100000000, -0.0011959600000000, 0.0013910300000000 ] - [ -0.0000912000000000, 0.0012127700000000, -0.0017721200000000 ] - [ 0.0000476700000000, 0.0003041600000000, -0.0002639400000000 ] - [ 0.0014179400000000, -0.0025542000000000, -0.0003671200000000 ] - [ -0.0290466700000000, 0.0088555000000000, 0.0037516300000000 ] - [ 0.0000707900000000, -0.0001527300000000, -0.0001826600000000 ] - [ -0.0002896500000000, -0.0026897400000000, -0.0011971500000000 ] - [ 0.0002084400000000, -0.0004000500000000, -0.0001026800000000 ] - [ -0.0000800000000000, -0.0002714300000000, -0.0003524100000000 ] - [ -0.0034927700000000, -0.0044759100000000, -0.0015585800000000 ] - [ -0.0000807000000000, -0.0002292600000000, -0.0001758200000000 ] - [ 0.0036796400000000, -0.0034997800000000, -0.0011677900000000 ] - [ -0.0050788500000000, 0.0046286500000000, 0.0012354900000000 ] - [ -0.0000034100000000, 0.0000502700000000, -0.0003582900000000 ]- atom: 68 displacement: [ -0.0000185648863736, 0.0000000000000000, 0.0099999827672348 ] forces: - [ -0.0002139200000000, 0.0000682900000000, -0.0006049100000000 ] - [ -0.0001813100000000, -0.0003469300000000, -0.0009316100000000 ] - [ 0.0002597600000000, 0.0003186700000000, -0.0001261500000000 ] - [ 0.0000757900000000, -0.0003529100000000, -0.0006040900000000 ] - [ 0.0000306800000000, -0.0002495400000000, -0.0004715000000000 ] - [ 0.0002262700000000, -0.0008397300000000, 0.0037168200000000 ] - [ 0.0020870500000000, 0.0010831700000000, -0.0006531700000000 ] - [ 0.0002366200000000, -0.0003081300000000, -0.0001011200000000 ] - [ -0.0004715700000000, 0.0006952000000000, 0.0006421700000000 ] - [ -0.0001007600000000, 0.0000826400000000, 0.0006534800000000 ] - [ -0.0005317000000000, -0.0003914900000000, 0.0004597300000000 ] - [ 0.0017940100000000, 0.0002071100000000, 0.0032964900000000 ] - [ -0.0001217100000000, 0.0003532900000000, 0.0001915700000000 ] - [ -0.0001023800000000, 0.0002968500000000, -0.0001182200000000 ] - [ -0.0025660600000000, -0.0012109000000000, 0.0023930500000000 ] - [ -0.0000301500000000, 0.0002875600000000, -0.0007304600000000 ] - [ 0.0000367000000000, -0.0000355200000000, -0.0003614800000000 ] - [ -0.0000073100000000, 0.0002838100000000, -0.0002891000000000 ] - [ -0.0000580000000000, -0.0002121500000000, 0.0001628700000000 ] - [ -0.0002848200000000, 0.0024845600000000, -0.0015232400000000 ] - [ -0.0001183200000000, -0.0016552700000000, 0.0008194400000000 ] - [ -0.0000808600000000, -0.0002025300000000, -0.0001792100000000 ] - [ 0.0000286600000000, -0.0002002000000000, -0.0003356300000000 ] - [ -0.0000105400000000, -0.0000887200000000, 0.0003484900000000 ] - [ 0.0000312200000000, 0.0000717400000000, -0.0002977100000000 ] - [ -0.0003445600000000, -0.0004917200000000, -0.0006112000000000 ] - [ -0.0000276500000000, -0.0002192500000000, -0.0002094400000000 ] - [ 0.0000224300000000, -0.0002216800000000, -0.0000266200000000 ] - [ 0.0001180100000000, 0.0004095200000000, 0.0000072600000000 ] - [ 0.0000175400000000, -0.0003421100000000, -0.0002931200000000 ] - [ -0.0001417900000000, 0.0000698600000000, -0.0001837900000000 ] - [ 0.0002849000000000, -0.0003710500000000, -0.0002614400000000 ] - [ -0.0007441700000000, 0.0005450000000000, -0.0004858300000000 ] - [ 0.0000307000000000, -0.0002398700000000, -0.0003269400000000 ] - [ -0.0000036500000000, -0.0000002900000000, -0.0004081100000000 ] - [ -0.0008095500000000, 0.0028083700000000, 0.0072555100000000 ] - [ 0.0011177000000000, -0.0003633800000000, 0.0002659500000000 ] - [ 0.0002203000000000, -0.0003513700000000, -0.0002651500000000 ] - [ -0.0001318800000000, -0.0010967700000000, 0.0000593400000000 ] - [ 0.0000954000000000, -0.0000735200000000, -0.0003389900000000 ] - [ 0.0000448500000000, -0.0000460600000000, -0.0005699600000000 ] - [ 0.0001473200000000, 0.0005537300000000, -0.0002464600000000 ] - [ -0.0000303400000000, -0.0001097900000000, -0.0003036300000000 ] - [ 0.0000100800000000, -0.0001085600000000, -0.0002181800000000 ] - [ -0.0002870200000000, -0.0003695300000000, -0.0001391000000000 ] - [ -0.0000175900000000, -0.0002703700000000, -0.0008768700000000 ] - [ 0.0026503000000000, 0.0004132600000000, -0.0005847200000000 ] - [ -0.0001096200000000, 0.0010311600000000, 0.0012893400000000 ] - [ 0.0004906200000000, -0.0001714200000000, -0.0015838100000000 ] - [ 0.0002931600000000, -0.0002853500000000, -0.0008465200000000 ] - [ -0.0004746300000000, 0.0016511600000000, -0.0023445800000000 ] - [ -0.0003200700000000, -0.0022167600000000, 0.0033114200000000 ] - [ -0.0000254500000000, 0.0007917300000000, 0.0024505600000000 ] - [ 0.0000363200000000, -0.0023110700000000, 0.0028026500000000 ] - [ 0.0033605900000000, 0.0007784500000000, -0.0092028900000000 ] - [ -0.0001154200000000, -0.0000038800000000, -0.0011444700000000 ] - [ -0.0003810100000000, 0.0002752100000000, 0.0021735500000000 ] - [ -0.0005622600000000, -0.0005384300000000, -0.0016906200000000 ] - [ 0.0000705100000000, -0.0000627500000000, -0.0011380600000000 ] - [ -0.0001767300000000, -0.0003732000000000, -0.0012302600000000 ] - [ -0.0055175100000000, -0.0012799400000000, 0.0009653300000000 ] - [ 0.0649533400000000, 0.0983820300000000, 0.1184672800000000 ] - [ 0.0019456600000000, -0.0000006900000000, -0.0003694600000000 ] - [ -0.0000953400000000, -0.0001829900000000, -0.0007899000000000 ] - [ -0.0001508000000000, 0.0001270900000000, 0.0003503100000000 ] - [ 0.0008729300000000, 0.0003486500000000, -0.0039104100000000 ] - [ -0.0003083200000000, 0.0008208600000000, 0.0004254700000000 ] - [ -0.0715024000000000, -0.1216018600000000, -0.1235782800000000 ] - [ -0.0001289700000000, 0.0001664000000000, 0.0005863200000000 ] - [ 0.0000673000000000, -0.0005978200000000, 0.0002768500000000 ] - [ 0.0009905800000000, -0.0015699200000000, 0.0014512800000000 ] - [ -0.0039380100000000, -0.0000529500000000, 0.0006330800000000 ] - [ -0.0000678700000000, -0.0002158200000000, 0.0004249300000000 ] - [ 0.0002754400000000, -0.0006416300000000, 0.0008716700000000 ] - [ 0.0001674000000000, -0.0013225700000000, -0.0007190800000000 ] - [ 0.0000037300000000, -0.0002300800000000, 0.0000673900000000 ] - [ -0.0001615200000000, -0.0005515700000000, 0.0005503500000000 ] - [ 0.0004639000000000, -0.0001110100000000, 0.0009019700000000 ] - [ -0.0000797900000000, 0.0005730500000000, 0.0006370300000000 ] - [ 0.0000039100000000, 0.0010127100000000, -0.0003435600000000 ] - [ -0.0000633100000000, 0.0005021200000000, 0.0001781400000000 ] - [ 0.0011471100000000, 0.0018468900000000, -0.0019483800000000 ] - [ -0.0002525400000000, -0.0017049700000000, -0.0003805700000000 ] - [ -0.0004872000000000, -0.0001158300000000, 0.0016137300000000 ] - [ -0.0005613600000000, -0.0001901500000000, 0.0028860800000000 ] - [ 0.0003890200000000, 0.0003462300000000, -0.0005081000000000 ] - [ 0.0008920900000000, 0.0009444100000000, -0.0005262700000000 ] - [ 0.0003642700000000, -0.0002829600000000, 0.0016771500000000 ] - [ -0.0130222900000000, 0.0142453100000000, -0.0198668800000000 ] - [ 0.0000781200000000, 0.0012190700000000, -0.0003451900000000 ] - [ -0.0002157200000000, 0.0003414500000000, -0.0005603500000000 ] - [ -0.0003546600000000, -0.0006564200000000, 0.0004638200000000 ] - [ 0.0001865800000000, 0.0004931400000000, 0.0007125100000000 ] - [ -0.0002280200000000, -0.0006796800000000, 0.0006491200000000 ] - [ 0.0000055100000000, -0.0000749900000000, -0.0000681100000000 ] - [ -0.0002078800000000, -0.0007058400000000, 0.0006357400000000 ] - [ 0.0011338900000000, 0.0073699300000000, 0.0199201900000000 ] - [ 0.0005923900000000, -0.0000984600000000, 0.0021517700000000 ] - [ -0.0011835600000000, 0.0003408100000000, -0.0042871200000000 ] - [ 0.0000611200000000, -0.0011807100000000, 0.0029373300000000 ] - [ 0.0002742200000000, -0.0004147500000000, 0.0005313800000000 ] - [ -0.0008542300000000, 0.0005614100000000, -0.0004229500000000 ] - [ 0.0177658100000000, -0.0044550600000000, -0.0051370500000000 ] - [ -0.0000748000000000, 0.0004525400000000, 0.0006571500000000 ] - [ 0.0000345600000000, 0.0024739900000000, 0.0023675500000000 ] - [ -0.0001526100000000, -0.0003750100000000, 0.0010125400000000 ] - [ 0.0000807000000000, 0.0003213300000000, 0.0005822100000000 ] - [ 0.0031502800000000, 0.0048232800000000, 0.0001879300000000 ] - [ 0.0000529100000000, 0.0003975200000000, 0.0007520800000000 ] - [ -0.0030256300000000, 0.0040497100000000, 0.0001965300000000 ] - [ 0.0025227100000000, -0.0011515400000000, -0.0026994600000000 ] - [ -0.0000758000000000, -0.0005428700000000, 0.0002975300000000 ]- atom: 68 displacement: [ 0.0000185648863736, 0.0000000000000000, -0.0099999827672348 ] forces: - [ 0.0002377700000000, 0.0001743000000000, 0.0010491300000000 ] - [ -0.0003380900000000, -0.0002434400000000, 0.0008019800000000 ] - [ 0.0002608300000000, 0.0002713500000000, 0.0002144900000000 ] - [ -0.0000962200000000, 0.0006026100000000, 0.0001614300000000 ] - [ -0.0000557900000000, 0.0000071000000000, 0.0000399000000000 ] - [ -0.0008341500000000, 0.0014859100000000, -0.0039006900000000 ] - [ -0.0020687400000000, -0.0013346300000000, 0.0010808200000000 ] - [ 0.0002828200000000, -0.0002806900000000, 0.0002265000000000 ] - [ 0.0005024600000000, -0.0004647700000000, -0.0006303100000000 ] - [ 0.0002090200000000, 0.0001904900000000, -0.0004777600000000 ] - [ 0.0005354700000000, 0.0009583500000000, -0.0005402800000000 ] - [ -0.0017794000000000, -0.0002669800000000, -0.0033257000000000 ] - [ -0.0001335700000000, -0.0002785600000000, -0.0000818400000000 ] - [ 0.0002539200000000, -0.0004690400000000, 0.0002920900000000 ] - [ 0.0027100200000000, 0.0013767700000000, -0.0025464700000000 ] - [ -0.0001429100000000, -0.0000945300000000, 0.0005675900000000 ] - [ 0.0000783700000000, -0.0001283600000000, 0.0001980400000000 ] - [ -0.0000311300000000, -0.0005038400000000, 0.0002657500000000 ] - [ -0.0000536500000000, 0.0003609200000000, 0.0000011800000000 ] - [ 0.0002847900000000, -0.0019166600000000, 0.0015930700000000 ] - [ 0.0001416600000000, 0.0019897300000000, -0.0003569100000000 ] - [ -0.0000434800000000, 0.0000420500000000, 0.0003380900000000 ] - [ -0.0000282600000000, 0.0002374400000000, 0.0003596000000000 ] - [ -0.0000220800000000, 0.0004517600000000, -0.0003474600000000 ] - [ -0.0000347200000000, -0.0000354400000000, 0.0002774400000000 ] - [ 0.0002293100000000, 0.0002088400000000, 0.0004191700000000 ] - [ -0.0000052600000000, -0.0001426700000000, 0.0002209700000000 ] - [ 0.0000020300000000, -0.0001008800000000, 0.0004993700000000 ] - [ 0.0000580100000000, -0.0002172800000000, 0.0001590600000000 ] - [ -0.0000205200000000, -0.0002203200000000, 0.0002225900000000 ] - [ -0.0001114500000000, -0.0001316900000000, 0.0003077900000000 ] - [ -0.0001891300000000, 0.0002908300000000, 0.0004531900000000 ] - [ 0.0007174000000000, -0.0002224600000000, 0.0000193900000000 ] - [ 0.0000890500000000, -0.0000527000000000, 0.0005214500000000 ] - [ 0.0000410900000000, -0.0002097500000000, 0.0004328400000000 ] - [ 0.0008069200000000, -0.0030719100000000, -0.0079551600000000 ] - [ -0.0008723700000000, 0.0004311900000000, -0.0003872300000000 ] - [ -0.0003259800000000, 0.0006155700000000, 0.0000922000000000 ] - [ 0.0001351800000000, 0.0010557100000000, -0.0000243200000000 ] - [ 0.0001599800000000, 0.0000140800000000, 0.0002173600000000 ] - [ -0.0000709300000000, -0.0002809000000000, 0.0000999500000000 ] - [ -0.0001668900000000, -0.0003119800000000, 0.0002395700000000 ] - [ 0.0000628600000000, -0.0002553000000000, 0.0002940500000000 ] - [ -0.0000075200000000, -0.0004542900000000, 0.0002881600000000 ] - [ 0.0003710700000000, 0.0004407400000000, 0.0003467900000000 ] - [ -0.0000787300000000, 0.0001843800000000, 0.0006756300000000 ] - [ -0.0026220300000000, -0.0000523600000000, 0.0005921500000000 ] - [ -0.0000537600000000, -0.0012262600000000, -0.0014678400000000 ] - [ -0.0000542600000000, -0.0000612700000000, 0.0018501900000000 ] - [ 0.0002574500000000, 0.0000491900000000, 0.0012089900000000 ] - [ -0.0000895600000000, -0.0018907900000000, 0.0020008500000000 ] - [ 0.0001723500000000, 0.0024102500000000, -0.0028281100000000 ] - [ 0.0002027200000000, -0.0003536700000000, -0.0027174200000000 ] - [ 0.0005382600000000, 0.0025404000000000, -0.0024601800000000 ] - [ -0.0039068700000000, -0.0005314100000000, 0.0088374600000000 ] - [ -0.0003255700000000, -0.0002319100000000, 0.0008841000000000 ] - [ -0.0000627800000000, -0.0000250800000000, -0.0024413300000000 ] - [ 0.0007025500000000, 0.0003404000000000, 0.0012062400000000 ] - [ 0.0001139800000000, -0.0003559200000000, 0.0008778500000000 ] - [ -0.0000039300000000, -0.0000408600000000, 0.0014944300000000 ] - [ 0.0053913400000000, 0.0016990900000000, -0.0006854700000000 ] - [ -0.0627106800000000, -0.0953411900000000, -0.1174696100000000 ] - [ -0.0018014900000000, 0.0002076200000000, -0.0000998800000000 ] - [ -0.0000269900000000, -0.0000208400000000, 0.0012943300000000 ] - [ -0.0000495500000000, -0.0000797300000000, -0.0004139700000000 ] - [ -0.0010052400000000, -0.0001381600000000, 0.0037304500000000 ] - [ 0.0001038800000000, -0.0008701900000000, -0.0004940700000000 ] - [ 0.0697327500000000, 0.1191490600000000, 0.1232812100000000 ] - [ 0.0000913400000000, -0.0006898800000000, -0.0004014700000000 ] - [ 0.0000130900000000, 0.0003761300000000, -0.0005475500000000 ] - [ -0.0012128100000000, 0.0015958900000000, -0.0013090000000000 ] - [ 0.0038211800000000, 0.0002530900000000, -0.0001801900000000 ] - [ -0.0000879800000000, -0.0002249900000000, 0.0001005200000000 ] - [ -0.0002781100000000, 0.0004350700000000, -0.0010378700000000 ] - [ -0.0000684800000000, 0.0015522500000000, 0.0004570200000000 ] - [ 0.0001546300000000, -0.0002100100000000, -0.0005976700000000 ] - [ 0.0001961100000000, 0.0010541800000000, -0.0006404100000000 ] - [ -0.0005681600000000, -0.0000902800000000, -0.0004250400000000 ] - [ 0.0002878800000000, -0.0005298600000000, -0.0005823800000000 ] - [ 0.0000452000000000, -0.0008047300000000, 0.0005394700000000 ] - [ -0.0000891000000000, -0.0000683700000000, 0.0003501300000000 ] - [ -0.0010838800000000, -0.0017562600000000, 0.0021427600000000 ] - [ 0.0001777900000000, 0.0017888200000000, 0.0002014600000000 ] - [ 0.0003617800000000, -0.0000935300000000, -0.0018119200000000 ] - [ 0.0006906900000000, -0.0000199400000000, -0.0027044100000000 ] - [ -0.0002913200000000, -0.0001442600000000, 0.0000491400000000 ] - [ -0.0006613500000000, -0.0009185300000000, 0.0003858400000000 ] - [ -0.0004938500000000, -0.0001590400000000, -0.0017464000000000 ] - [ 0.0127897200000000, -0.0139871800000000, 0.0200330900000000 ] - [ -0.0001609300000000, -0.0006987200000000, 0.0005724200000000 ] - [ 0.0003324900000000, 0.0001035900000000, 0.0006021900000000 ] - [ 0.0001257400000000, 0.0006365300000000, -0.0003196500000000 ] - [ -0.0001920900000000, -0.0006579700000000, -0.0005239900000000 ] - [ 0.0002682800000000, 0.0001621200000000, -0.0008383900000000 ] - [ 0.0000924200000000, -0.0001235900000000, -0.0004250100000000 ] - [ 0.0001749600000000, 0.0001883300000000, -0.0005652900000000 ] - [ -0.0009116500000000, -0.0069969000000000, -0.0196412200000000 ] - [ -0.0004657000000000, -0.0003435700000000, -0.0020926900000000 ] - [ 0.0010581000000000, 0.0000987600000000, 0.0042339600000000 ] - [ -0.0000582000000000, 0.0010175600000000, -0.0031459500000000 ] - [ -0.0000490300000000, 0.0003903800000000, -0.0006858500000000 ] - [ 0.0008141500000000, -0.0000370000000000, 0.0005207400000000 ] - [ -0.0176939000000000, 0.0048304800000000, 0.0045840600000000 ] - [ 0.0001315700000000, -0.0005505600000000, -0.0004623900000000 ] - [ -0.0000332100000000, -0.0023057200000000, -0.0025509600000000 ] - [ 0.0001950800000000, -0.0001521700000000, -0.0011043300000000 ] - [ -0.0000797100000000, -0.0005333000000000, -0.0004212900000000 ] - [ -0.0029475600000000, -0.0048694500000000, -0.0001148800000000 ] - [ -0.0001347300000000, -0.0006298800000000, -0.0004866100000000 ] - [ 0.0030320300000000, -0.0039035500000000, 0.0000067500000000 ] - [ -0.0024735700000000, 0.0016860800000000, 0.0024966300000000 ] - [ 0.0000194700000000, 0.0004525300000000, -0.0004962600000000 ]- atom: 69 displacement: [ 0.0099999995909515, 0.0000000000000000, -0.0000028602394792 ] forces: - [ -0.0001566500000000, 0.0001569000000000, 0.0002168200000000 ] - [ 0.0000494400000000, -0.0002061800000000, -0.0001498300000000 ] - [ 0.0004546500000000, 0.0005088500000000, 0.0006270500000000 ] - [ -0.0005776200000000, 0.0004941200000000, -0.0019144000000000 ] - [ -0.0002597100000000, -0.0001271600000000, 0.0001140100000000 ] - [ -0.0001306700000000, 0.0003043200000000, -0.0000273500000000 ] - [ -0.0003161900000000, -0.0001605000000000, 0.0002880500000000 ] - [ 0.0031882000000000, 0.0008547300000000, -0.0004878600000000 ] - [ 0.0001076500000000, -0.0001830400000000, 0.0004761500000000 ] - [ 0.0000561700000000, 0.0002540800000000, 0.0004426900000000 ] - [ -0.0000127000000000, 0.0001925000000000, -0.0000232700000000 ] - [ -0.0000125700000000, 0.0000804200000000, -0.0000234600000000 ] - [ -0.0001104800000000, -0.0000037900000000, 0.0001904700000000 ] - [ 0.0001201100000000, -0.0001827200000000, 0.0001611200000000 ] - [ 0.0000674100000000, 0.0001832400000000, -0.0000904200000000 ] - [ -0.0002274600000000, -0.0000040700000000, 0.0000187600000000 ] - [ 0.0001252100000000, 0.0005343000000000, 0.0004109800000000 ] - [ 0.0003603300000000, -0.0000087800000000, -0.0011675300000000 ] - [ -0.0000359200000000, 0.0002273700000000, 0.0001724500000000 ] - [ -0.0000214800000000, 0.0004074800000000, 0.0001513800000000 ] - [ -0.0000058900000000, 0.0000954200000000, 0.0001811000000000 ] - [ 0.0044983300000000, -0.0017063300000000, 0.0002313000000000 ] - [ -0.0025146100000000, -0.0022428100000000, -0.0000117400000000 ] - [ -0.0000178800000000, 0.0001288500000000, 0.0001062400000000 ] - [ -0.0002568500000000, 0.0002198100000000, 0.0000585400000000 ] - [ 0.0026201600000000, 0.0006784900000000, 0.0012149800000000 ] - [ -0.0021177600000000, -0.0016770800000000, -0.0049869600000000 ] - [ -0.0004236100000000, -0.0004069500000000, 0.0008593200000000 ] - [ -0.0008038400000000, -0.0003926000000000, -0.0001037500000000 ] - [ -0.0005457100000000, -0.0003949500000000, -0.0001350300000000 ] - [ 0.0007846900000000, -0.0006281600000000, -0.0001177900000000 ] - [ -0.0007926500000000, 0.0001234900000000, 0.0000531900000000 ] - [ -0.0000516000000000, 0.0001871500000000, -0.0001809600000000 ] - [ 0.0002495700000000, 0.0001477500000000, 0.0000661800000000 ] - [ 0.0001680000000000, -0.0004560900000000, -0.0002399500000000 ] - [ -0.0000527300000000, 0.0000436300000000, -0.0002625900000000 ] - [ 0.0001312400000000, -0.0000698600000000, -0.0000470400000000 ] - [ -0.0000578700000000, 0.0003593100000000, 0.0001687100000000 ] - [ -0.0000108400000000, -0.0001375500000000, 0.0001118100000000 ] - [ 0.0032653600000000, -0.0003352100000000, -0.0015155700000000 ] - [ -0.0003178600000000, -0.0000295200000000, -0.0003081600000000 ] - [ -0.0000418600000000, -0.0000654300000000, 0.0001891100000000 ] - [ 0.0002366300000000, 0.0012727900000000, 0.0001361000000000 ] - [ -0.0006439900000000, 0.0004513900000000, -0.0002158600000000 ] - [ 0.0000406400000000, 0.0001153300000000, 0.0001731400000000 ] - [ -0.0002907400000000, 0.0000898000000000, 0.0000544600000000 ] - [ 0.0000522900000000, 0.0001968200000000, 0.0000134800000000 ] - [ -0.0001265300000000, -0.0001134700000000, -0.0002214700000000 ] - [ -0.0006543400000000, -0.0005024300000000, -0.0002302500000000 ] - [ 0.0005547700000000, -0.0002425000000000, 0.0006268700000000 ] - [ 0.0009042800000000, -0.0006358600000000, -0.0002248800000000 ] - [ 0.0004398200000000, -0.0001073100000000, 0.0006680600000000 ] - [ 0.0005760600000000, 0.0002952700000000, -0.0002741700000000 ] - [ -0.0000010000000000, 0.0002925700000000, 0.0006594600000000 ] - [ -0.0001912600000000, 0.0001507900000000, 0.0000435700000000 ] - [ -0.0114762300000000, -0.0039356400000000, -0.0024994300000000 ] - [ -0.0008672600000000, 0.0001973400000000, -0.0003316900000000 ] - [ 0.0018333400000000, 0.0026855300000000, -0.0010043100000000 ] - [ 0.1056391200000000, -0.0890327700000000, -0.0643428700000000 ] - [ -0.0010278000000000, 0.0024521700000000, 0.0004321300000000 ] - [ -0.0001873500000000, 0.0001339100000000, 0.0003734100000000 ] - [ 0.0001181400000000, 0.0000831900000000, 0.0003498400000000 ] - [ 0.0003217400000000, 0.0002412800000000, -0.0002489800000000 ] - [ -0.0000293600000000, 0.0011671100000000, 0.0043021500000000 ] - [ 0.0001568400000000, -0.0032106700000000, -0.0009474400000000 ] - [ 0.0001727900000000, 0.0001014400000000, -0.0004953500000000 ] - [ -0.0002617900000000, 0.0006257800000000, -0.0001536600000000 ] - [ -0.0000395600000000, 0.0000169600000000, -0.0001831900000000 ] - [ -0.1092057100000000, 0.1085787600000000, 0.0719573100000000 ] - [ 0.0017215300000000, -0.0007197900000000, 0.0006905200000000 ] - [ -0.0000156900000000, 0.0000800700000000, -0.0001147200000000 ] - [ -0.0000697900000000, 0.0000499600000000, 0.0001953500000000 ] - [ 0.0207243900000000, -0.0082009900000000, -0.0044999400000000 ] - [ 0.0002462000000000, -0.0007277200000000, -0.0000466700000000 ] - [ 0.0006416200000000, 0.0001505100000000, 0.0002168500000000 ] - [ 0.0020782900000000, -0.0002617600000000, -0.0002459800000000 ] - [ -0.0001962300000000, -0.0006095700000000, 0.0000443700000000 ] - [ -0.0022853800000000, -0.0006950300000000, 0.0003495300000000 ] - [ 0.0005202200000000, -0.0011869600000000, -0.0011998100000000 ] - [ 0.0008054600000000, -0.0000549700000000, 0.0005478700000000 ] - [ -0.0000359600000000, 0.0002109400000000, 0.0002922600000000 ] - [ 0.0000474600000000, 0.0002993100000000, 0.0000093000000000 ] - [ -0.0005730800000000, 0.0001267300000000, 0.0001942300000000 ] - [ 0.0009311300000000, -0.0000917600000000, -0.0005814900000000 ] - [ -0.0000020300000000, -0.0001545100000000, 0.0006074400000000 ] - [ -0.0001263600000000, -0.0000697200000000, -0.0012812100000000 ] - [ 0.0006156200000000, -0.0000459900000000, -0.0002845900000000 ] - [ -0.0093563800000000, 0.0055234800000000, -0.0134139400000000 ] - [ -0.0000551100000000, 0.0002386300000000, 0.0000160400000000 ] - [ -0.0008303900000000, 0.0000846500000000, 0.0005250300000000 ] - [ -0.0000703100000000, 0.0001953000000000, -0.0004351300000000 ] - [ 0.0000713400000000, -0.0002067400000000, 0.0003172300000000 ] - [ 0.0001535600000000, -0.0002967300000000, -0.0003030800000000 ] - [ -0.0011344600000000, -0.0019668800000000, 0.0003180200000000 ] - [ -0.0009306000000000, 0.0000796100000000, -0.0008630900000000 ] - [ 0.0000690100000000, 0.0005887200000000, -0.0014917200000000 ] - [ 0.0001395700000000, 0.0001015300000000, -0.0002789100000000 ] - [ 0.0002843400000000, -0.0011524400000000, 0.0005156200000000 ] - [ -0.0002527900000000, 0.0002280800000000, -0.0004620400000000 ] - [ 0.0001458100000000, 0.0009557400000000, 0.0002639200000000 ] - [ 0.0003361300000000, 0.0003999000000000, -0.0006193000000000 ] - [ -0.0004496900000000, 0.0005142100000000, 0.0002553000000000 ] - [ 0.0001864600000000, 0.0002140900000000, -0.0003129700000000 ] - [ 0.0016654600000000, -0.0037038700000000, 0.0020410000000000 ] - [ 0.0000958300000000, -0.0000238300000000, -0.0003015900000000 ] - [ -0.0000590100000000, -0.0001782600000000, 0.0000537000000000 ] - [ 0.0077081400000000, 0.0049937700000000, 0.0025797600000000 ] - [ -0.0003431400000000, 0.0000099600000000, -0.0001668600000000 ] - [ 0.0001945700000000, 0.0007987700000000, 0.0000069500000000 ] - [ 0.0003351600000000, -0.0000647000000000, 0.0000640700000000 ] - [ 0.0000523800000000, 0.0000769900000000, -0.0002367100000000 ] - [ -0.0154003600000000, -0.0136397800000000, 0.0139022200000000 ]- atom: 69 displacement: [ -0.0099999995909515, 0.0000000000000000, 0.0000028602394792 ] forces: - [ 0.0001167700000000, 0.0000891100000000, 0.0002998300000000 ] - [ -0.0005527800000000, -0.0003728800000000, 0.0000992700000000 ] - [ 0.0001259300000000, 0.0002880000000000, -0.0002367300000000 ] - [ 0.0005570600000000, -0.0002364400000000, 0.0014496900000000 ] - [ 0.0002450700000000, -0.0001371200000000, -0.0005331200000000 ] - [ -0.0003842600000000, 0.0002871300000000, -0.0001456700000000 ] - [ 0.0003366900000000, -0.0000927300000000, 0.0001095400000000 ] - [ -0.0027583400000000, -0.0015175400000000, 0.0006761400000000 ] - [ -0.0000717900000000, 0.0003946800000000, -0.0004942100000000 ] - [ 0.0000609600000000, 0.0000388700000000, -0.0002892200000000 ] - [ 0.0000056300000000, 0.0003196000000000, -0.0001164200000000 ] - [ 0.0000117700000000, -0.0000521300000000, -0.0000881900000000 ] - [ -0.0001400200000000, 0.0000267800000000, -0.0000253400000000 ] - [ 0.0001122800000000, -0.0000378400000000, -0.0000255400000000 ] - [ 0.0000435700000000, 0.0000520600000000, -0.0001631900000000 ] - [ 0.0000661400000000, 0.0002771800000000, -0.0001532400000000 ] - [ -0.0000004400000000, -0.0007528000000000, -0.0005159800000000 ] - [ -0.0004043700000000, -0.0002318600000000, 0.0011306200000000 ] - [ -0.0000723700000000, 0.0000799300000000, -0.0000023300000000 ] - [ 0.0000135600000000, 0.0002746200000000, -0.0000434700000000 ] - [ 0.0000308100000000, 0.0001897300000000, 0.0001698200000000 ] - [ -0.0049913900000000, 0.0018313900000000, -0.0000616900000000 ] - [ 0.0025127100000000, 0.0022762800000000, 0.0000321000000000 ] - [ -0.0000261300000000, 0.0002197400000000, -0.0001111600000000 ] - [ 0.0002458000000000, -0.0002177800000000, -0.0000342500000000 ] - [ -0.0027317400000000, -0.0009445300000000, -0.0014151100000000 ] - [ 0.0020277200000000, 0.0013164300000000, 0.0050118800000000 ] - [ 0.0004421200000000, 0.0000945700000000, -0.0003131800000000 ] - [ 0.0009907800000000, 0.0005798400000000, 0.0002518400000000 ] - [ 0.0005380600000000, -0.0001380300000000, 0.0001111600000000 ] - [ -0.0010423400000000, 0.0005788100000000, 0.0002367300000000 ] - [ 0.0008901100000000, -0.0001954800000000, 0.0001094200000000 ] - [ 0.0000003900000000, 0.0001519000000000, -0.0003015600000000 ] - [ -0.0001333400000000, -0.0004103100000000, 0.0001546400000000 ] - [ -0.0001328100000000, 0.0001923300000000, 0.0002617900000000 ] - [ -0.0000470000000000, 0.0000440700000000, 0.0000447300000000 ] - [ 0.0001169000000000, 0.0000410200000000, -0.0001270200000000 ] - [ -0.0000817200000000, -0.0000230000000000, -0.0003977700000000 ] - [ 0.0000146000000000, -0.0000118600000000, -0.0000758900000000 ] - [ -0.0029985600000000, 0.0003218400000000, 0.0014130500000000 ] - [ 0.0002995800000000, -0.0003069900000000, -0.0001655200000000 ] - [ -0.0000485000000000, 0.0002475600000000, -0.0002411100000000 ] - [ -0.0002088200000000, -0.0016555900000000, -0.0001492000000000 ] - [ 0.0006487900000000, -0.0010192600000000, 0.0002804700000000 ] - [ 0.0000687800000000, -0.0000036500000000, -0.0000129200000000 ] - [ 0.0002024500000000, -0.0002396900000000, -0.0002085700000000 ] - [ 0.0000057700000000, 0.0001843300000000, -0.0000708300000000 ] - [ -0.0000521400000000, -0.0000940700000000, 0.0000324200000000 ] - [ 0.0012520000000000, 0.0002527700000000, 0.0006758900000000 ] - [ -0.0000867600000000, -0.0000118000000000, 0.0002787000000000 ] - [ -0.0015082300000000, 0.0003954500000000, -0.0001141200000000 ] - [ -0.0006146600000000, 0.0003340500000000, -0.0003961400000000 ] - [ 0.0000671200000000, 0.0001730400000000, -0.0006064800000000 ] - [ 0.0006307900000000, -0.0000255300000000, -0.0005500800000000 ] - [ -0.0003532100000000, 0.0000390100000000, -0.0004753100000000 ] - [ 0.0109991100000000, 0.0036532700000000, 0.0022892100000000 ] - [ -0.0001002200000000, 0.0000993000000000, -0.0006041800000000 ] - [ -0.0016663900000000, -0.0028811000000000, 0.0004826600000000 ] - [ -0.1049546400000000, 0.0862312300000000, 0.0625362200000000 ] - [ 0.0008555200000000, -0.0028661000000000, -0.0001588700000000 ] - [ -0.0000598000000000, 0.0002473000000000, -0.0001696900000000 ] - [ 0.0002853900000000, 0.0001608200000000, -0.0001564300000000 ] - [ 0.0000452400000000, 0.0000271300000000, -0.0005149800000000 ] - [ 0.0000061500000000, -0.0013526700000000, -0.0032378900000000 ] - [ -0.0003681600000000, 0.0032370700000000, 0.0008958400000000 ] - [ -0.0002506800000000, 0.0001234000000000, 0.0006166500000000 ] - [ -0.0000649600000000, 0.0001912800000000, 0.0001152200000000 ] - [ 0.0000404600000000, 0.0001932500000000, 0.0000349800000000 ] - [ 0.1092739700000000, -0.1069163200000000, -0.0703316600000000 ] - [ -0.0016487600000000, 0.0005278300000000, -0.0009593700000000 ] - [ -0.0001444900000000, -0.0001402600000000, 0.0002231500000000 ] - [ -0.0000024200000000, 0.0001004000000000, 0.0002563000000000 ] - [ -0.0208507700000000, 0.0075960200000000, 0.0049041500000000 ] - [ -0.0003286800000000, 0.0006202500000000, -0.0002204600000000 ] - [ 0.0000640800000000, 0.0002405500000000, 0.0000340800000000 ] - [ -0.0018718400000000, -0.0001742400000000, -0.0003157200000000 ] - [ 0.0000440700000000, 0.0001437200000000, -0.0000022300000000 ] - [ 0.0021631000000000, 0.0005056100000000, 0.0001221700000000 ] - [ -0.0004995500000000, 0.0012250500000000, 0.0008037200000000 ] - [ 0.0000786900000000, -0.0000091500000000, 0.0003254500000000 ] - [ -0.0001162700000000, 0.0002172200000000, 0.0003741900000000 ] - [ 0.0000243400000000, -0.0001007600000000, 0.0002552100000000 ] - [ -0.0000506800000000, 0.0001838900000000, 0.0001014900000000 ] - [ -0.0010432700000000, -0.0001128200000000, 0.0001863100000000 ] - [ 0.0001133400000000, -0.0000512400000000, -0.0003420700000000 ] - [ 0.0002066300000000, 0.0002606800000000, 0.0008379400000000 ] - [ -0.0003537100000000, 0.0001208600000000, 0.0001827600000000 ] - [ 0.0091590400000000, -0.0058979500000000, 0.0132061400000000 ] - [ -0.0000337400000000, -0.0000212800000000, 0.0002571100000000 ] - [ -0.0000865700000000, 0.0001212000000000, 0.0003846200000000 ] - [ 0.0001807200000000, 0.0002002200000000, 0.0005114200000000 ] - [ -0.0002867400000000, 0.0002090200000000, -0.0001503600000000 ] - [ -0.0000222500000000, 0.0001000100000000, 0.0001202600000000 ] - [ 0.0011723900000000, 0.0014495400000000, -0.0005499700000000 ] - [ 0.0011030400000000, -0.0002274100000000, -0.0001628500000000 ] - [ -0.0003683100000000, -0.0011225500000000, 0.0010952000000000 ] - [ -0.0000520900000000, 0.0001003700000000, 0.0005870700000000 ] - [ -0.0001459200000000, 0.0007116400000000, -0.0004261900000000 ] - [ 0.0001183600000000, 0.0002397100000000, 0.0006570900000000 ] - [ -0.0001216300000000, -0.0011511900000000, -0.0004371000000000 ] - [ 0.0000597900000000, -0.0003721000000000, 0.0000443800000000 ] - [ 0.0003763400000000, 0.0000817800000000, -0.0001032600000000 ] - [ 0.0000284000000000, 0.0002196200000000, -0.0002078200000000 ] - [ -0.0016016000000000, 0.0036065800000000, -0.0019014800000000 ] - [ -0.0000499100000000, 0.0003218700000000, 0.0000894500000000 ] - [ 0.0000849100000000, -0.0003321900000000, -0.0001237800000000 ] - [ -0.0077551000000000, -0.0052252700000000, -0.0024193100000000 ] - [ 0.0005314000000000, -0.0001449300000000, 0.0002803500000000 ] - [ -0.0003102200000000, -0.0011360100000000, 0.0002117600000000 ] - [ -0.0003249500000000, 0.0001402900000000, 0.0001767800000000 ] - [ -0.0000127400000000, 0.0003958300000000, 0.0001021400000000 ] - [ 0.0152935700000000, 0.0135685200000000, -0.0139749800000000 ]- atom: 69 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000584000000000, 0.0000247000000000, 0.0005358000000000 ] - [ -0.0004200900000000, -0.0005280300000000, 0.0005174100000000 ] - [ 0.0001122700000000, 0.0002865200000000, -0.0005653400000000 ] - [ -0.0005393500000000, 0.0009837100000000, 0.0003252400000000 ] - [ 0.0002530000000000, -0.0001420600000000, -0.0007609600000000 ] - [ -0.0003162900000000, 0.0002274300000000, -0.0005570600000000 ] - [ 0.0000917400000000, -0.0000535000000000, -0.0002408900000000 ] - [ 0.0010096600000000, 0.0045970800000000, -0.0001407800000000 ] - [ -0.0000120000000000, -0.0001043400000000, -0.0001327600000000 ] - [ 0.0001711500000000, 0.0003748600000000, -0.0003678700000000 ] - [ 0.0000124000000000, 0.0002306700000000, -0.0001708500000000 ] - [ 0.0000066800000000, 0.0000338100000000, -0.0001673700000000 ] - [ -0.0001355300000000, 0.0000862800000000, -0.0000934900000000 ] - [ 0.0001126700000000, 0.0001003800000000, -0.0001652800000000 ] - [ 0.0000548300000000, 0.0000960500000000, -0.0002772900000000 ] - [ 0.0000597300000000, 0.0006149800000000, 0.0001247800000000 ] - [ -0.0001348400000000, -0.0014798300000000, -0.0010612900000000 ] - [ 0.0002355400000000, -0.0013149100000000, 0.0018727900000000 ] - [ -0.0000727800000000, 0.0000286900000000, -0.0000739900000000 ] - [ 0.0000120800000000, 0.0003259600000000, -0.0001110200000000 ] - [ 0.0000024100000000, 0.0001789300000000, 0.0001203300000000 ] - [ 0.0003340800000000, 0.0036168200000000, 0.0000383600000000 ] - [ -0.0058525500000000, 0.0008680200000000, 0.0003890700000000 ] - [ -0.0000106800000000, 0.0001655700000000, -0.0001299500000000 ] - [ 0.0001294900000000, -0.0007755900000000, -0.0000314100000000 ] - [ -0.0003353200000000, 0.0010595100000000, -0.0033345000000000 ] - [ 0.0007361500000000, 0.0033277100000000, 0.0019514500000000 ] - [ 0.0000517900000000, 0.0009834800000000, 0.0003187200000000 ] - [ 0.0000564500000000, -0.0004484200000000, 0.0005720900000000 ] - [ 0.0002868900000000, 0.0005838100000000, 0.0000782100000000 ] - [ -0.0016645900000000, -0.0014159200000000, -0.0002514900000000 ] - [ 0.0002047900000000, 0.0006668000000000, 0.0003594500000000 ] - [ -0.0000012400000000, 0.0001780700000000, -0.0003556200000000 ] - [ -0.0001840500000000, -0.0007985100000000, 0.0002251800000000 ] - [ -0.0001302600000000, 0.0005956700000000, 0.0003682600000000 ] - [ -0.0001503100000000, 0.0002264500000000, -0.0005097500000000 ] - [ 0.0001147300000000, -0.0000223300000000, -0.0001992800000000 ] - [ -0.0000834100000000, -0.0001817100000000, -0.0006114200000000 ] - [ 0.0000153700000000, -0.0000655700000000, -0.0001529400000000 ] - [ -0.0007700600000000, 0.0014946900000000, 0.0053123000000000 ] - [ 0.0000856400000000, -0.0008631300000000, -0.0000266000000000 ] - [ -0.0000501200000000, 0.0003625600000000, -0.0003519900000000 ] - [ -0.0002778900000000, -0.0038137100000000, 0.0001552800000000 ] - [ 0.0012480400000000, -0.0017655000000000, 0.0007056500000000 ] - [ 0.0000677800000000, -0.0001370300000000, -0.0001716100000000 ] - [ 0.0002844700000000, -0.0006070200000000, -0.0001352000000000 ] - [ 0.0000078600000000, 0.0002088900000000, -0.0001404600000000 ] - [ -0.0000464100000000, -0.0002756200000000, -0.0002913000000000 ] - [ 0.0006616200000000, -0.0017817600000000, 0.0016348100000000 ] - [ -0.0006356500000000, -0.0002836100000000, -0.0009202700000000 ] - [ -0.0017613700000000, -0.0039202300000000, 0.0004002000000000 ] - [ 0.0001806000000000, 0.0012790400000000, -0.0003992900000000 ] - [ 0.0000586200000000, 0.0002119300000000, -0.0008543200000000 ] - [ 0.0003255400000000, 0.0001583500000000, -0.0002980600000000 ] - [ -0.0003676800000000, -0.0000727900000000, -0.0007190300000000 ] - [ 0.0093753800000000, -0.0010109200000000, -0.0004680000000000 ] - [ -0.0001326900000000, 0.0001280900000000, -0.0006898900000000 ] - [ 0.0007031600000000, -0.0052405900000000, -0.0001498300000000 ] - [ -0.0848742400000000, 0.1813576600000000, 0.0868045200000000 ] - [ 0.0003574000000000, -0.0035949000000000, 0.0005887100000000 ] - [ -0.0001313500000000, 0.0002102100000000, -0.0004528000000000 ] - [ 0.0003243800000000, 0.0000872600000000, -0.0004642100000000 ] - [ 0.0000755600000000, -0.0000143100000000, -0.0007485700000000 ] - [ -0.0022882300000000, -0.0014840000000000, -0.0067858800000000 ] - [ -0.0014868000000000, 0.0034555100000000, 0.0012177500000000 ] - [ -0.0002852100000000, 0.0001349400000000, 0.0007895200000000 ] - [ -0.0000496800000000, 0.0004566800000000, 0.0002085900000000 ] - [ 0.0001359400000000, 0.0002661400000000, 0.0003647400000000 ] - [ 0.1055119200000000, -0.2040996500000000, -0.0984501000000000 ] - [ -0.0002465900000000, 0.0021280000000000, -0.0011105800000000 ] - [ -0.0001285600000000, -0.0002906800000000, 0.0002323800000000 ] - [ -0.0000280800000000, 0.0001038600000000, 0.0002213900000000 ] - [ -0.0289994600000000, -0.0086401400000000, -0.0057575300000000 ] - [ -0.0012688300000000, 0.0025063600000000, -0.0010438600000000 ] - [ 0.0000822100000000, 0.0001906400000000, 0.0001275100000000 ] - [ -0.0009361900000000, 0.0000766000000000, -0.0002587800000000 ] - [ 0.0000243800000000, -0.0000553100000000, 0.0000335600000000 ] - [ 0.0004783800000000, 0.0022880900000000, 0.0009420700000000 ] - [ -0.0001616100000000, 0.0025947000000000, 0.0013158700000000 ] - [ 0.0001210300000000, -0.0000034400000000, 0.0004822900000000 ] - [ -0.0000624200000000, 0.0002274100000000, 0.0004615100000000 ] - [ -0.0000048300000000, -0.0000578700000000, 0.0003852500000000 ] - [ -0.0000750400000000, 0.0001627400000000, 0.0002239000000000 ] - [ -0.0011670300000000, -0.0002047500000000, 0.0019215000000000 ] - [ 0.0011798200000000, 0.0011391500000000, -0.0017039400000000 ] - [ -0.0002187300000000, 0.0000960900000000, -0.0004173000000000 ] - [ 0.0002259100000000, 0.0002370800000000, 0.0000838500000000 ] - [ 0.0083677300000000, -0.0095004100000000, 0.0237095400000000 ] - [ -0.0000099500000000, 0.0000337100000000, 0.0003948500000000 ] - [ -0.0001594500000000, 0.0000833100000000, 0.0005963800000000 ] - [ 0.0002858700000000, 0.0001790200000000, 0.0009372600000000 ] - [ 0.0004902200000000, 0.0021546300000000, 0.0001732400000000 ] - [ 0.0001476900000000, 0.0010631800000000, 0.0003838800000000 ] - [ 0.0017495400000000, 0.0027347000000000, -0.0010680500000000 ] - [ 0.0026296200000000, -0.0002453200000000, 0.0000421900000000 ] - [ -0.0005805300000000, -0.0022431200000000, 0.0012906000000000 ] - [ -0.0001644600000000, 0.0000943600000000, 0.0010387900000000 ] - [ -0.0008368400000000, 0.0012211600000000, -0.0011023800000000 ] - [ 0.0001917500000000, 0.0002218600000000, 0.0011418200000000 ] - [ 0.0014524400000000, 0.0022072400000000, 0.0006112900000000 ] - [ 0.0004198000000000, -0.0013320500000000, 0.0003643300000000 ] - [ 0.0001257500000000, 0.0000866900000000, -0.0004894000000000 ] - [ 0.0000663600000000, 0.0002129900000000, -0.0000544600000000 ] - [ -0.0030506200000000, 0.0031980000000000, -0.0025633600000000 ] - [ -0.0000390200000000, 0.0006080900000000, 0.0002030800000000 ] - [ -0.0004549500000000, 0.0025310100000000, 0.0003583700000000 ] - [ -0.0047561200000000, -0.0044730400000000, -0.0013568100000000 ] - [ 0.0000789900000000, -0.0014613800000000, 0.0017244100000000 ] - [ 0.0016737400000000, 0.0004795600000000, -0.0011309700000000 ] - [ -0.0000182200000000, -0.0003491000000000, 0.0002550000000000 ] - [ -0.0001126800000000, 0.0004238900000000, 0.0003569400000000 ] - [ 0.0033634400000000, 0.0255940700000000, -0.0049548400000000 ]- atom: 69 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000370400000000, 0.0002314600000000, -0.0001034200000000 ] - [ -0.0000994600000000, -0.0000610000000000, -0.0006412200000000 ] - [ 0.0004081700000000, 0.0003031700000000, 0.0006986500000000 ] - [ 0.0005293700000000, -0.0007352500000000, -0.0007545000000000 ] - [ -0.0002732300000000, -0.0001115600000000, 0.0003279700000000 ] - [ -0.0002050300000000, 0.0003639100000000, 0.0004256900000000 ] - [ -0.0000713500000000, -0.0001998700000000, 0.0006777100000000 ] - [ -0.0005626400000000, -0.0052466600000000, 0.0003459800000000 ] - [ 0.0000512600000000, 0.0003261800000000, 0.0001531800000000 ] - [ -0.0000523400000000, -0.0000918000000000, 0.0005607100000000 ] - [ -0.0000151300000000, 0.0003324200000000, 0.0000994200000000 ] - [ -0.0000077900000000, -0.0000680500000000, 0.0001448000000000 ] - [ -0.0001230600000000, -0.0000345500000000, 0.0002105700000000 ] - [ 0.0000623200000000, -0.0002932000000000, 0.0003350900000000 ] - [ 0.0000691300000000, 0.0000693800000000, 0.0001152600000000 ] - [ -0.0002235400000000, -0.0004349600000000, -0.0002936000000000 ] - [ 0.0002633500000000, 0.0013260200000000, 0.0009209300000000 ] - [ -0.0002716500000000, 0.0010846700000000, -0.0018952900000000 ] - [ -0.0000495400000000, 0.0001363100000000, 0.0002382800000000 ] - [ -0.0000098900000000, 0.0002385500000000, 0.0001841800000000 ] - [ 0.0000197800000000, 0.0001549500000000, 0.0003512500000000 ] - [ -0.0006898800000000, -0.0036513400000000, 0.0001334100000000 ] - [ 0.0058786600000000, -0.0008041100000000, -0.0003651500000000 ] - [ -0.0000234700000000, 0.0002101500000000, 0.0001413500000000 ] - [ -0.0001327000000000, 0.0008134600000000, 0.0000078300000000 ] - [ 0.0002404900000000, -0.0012633700000000, 0.0032699300000000 ] - [ -0.0008020500000000, -0.0037124300000000, -0.0019820800000000 ] - [ -0.0000271600000000, -0.0013197400000000, 0.0001527800000000 ] - [ 0.0001154300000000, 0.0006388200000000, -0.0004052300000000 ] - [ -0.0002915700000000, -0.0011475000000000, -0.0001488000000000 ] - [ 0.0014121900000000, 0.0013577000000000, 0.0003671100000000 ] - [ -0.0001107000000000, -0.0007444100000000, -0.0001688800000000 ] - [ -0.0000214300000000, 0.0001565500000000, -0.0001141200000000 ] - [ 0.0002966700000000, 0.0005249400000000, -0.0000291300000000 ] - [ 0.0001564500000000, -0.0008303200000000, -0.0003552800000000 ] - [ 0.0000537500000000, -0.0001424800000000, 0.0003200800000000 ] - [ 0.0001431500000000, 0.0000737500000000, 0.0000821000000000 ] - [ -0.0000369000000000, 0.0004691800000000, 0.0004093200000000 ] - [ -0.0000135000000000, 0.0000290300000000, 0.0001774200000000 ] - [ 0.0010509800000000, -0.0014710600000000, -0.0055271200000000 ] - [ -0.0001090800000000, 0.0005275700000000, -0.0004438900000000 ] - [ 0.0000123400000000, -0.0001482500000000, 0.0003287600000000 ] - [ 0.0003163900000000, 0.0034343600000000, -0.0001618800000000 ] - [ -0.0012577100000000, 0.0012030800000000, -0.0006404600000000 ] - [ 0.0000292100000000, 0.0002151400000000, 0.0003597000000000 ] - [ -0.0003737800000000, 0.0005405300000000, -0.0000481200000000 ] - [ 0.0000260700000000, 0.0001673500000000, 0.0001306000000000 ] - [ -0.0001290900000000, 0.0000797900000000, 0.0001243700000000 ] - [ -0.0002208000000000, 0.0015489300000000, -0.0013612200000000 ] - [ 0.0012157700000000, 0.0000564200000000, 0.0012654800000000 ] - [ 0.0011664500000000, 0.0036947800000000, -0.0007699700000000 ] - [ -0.0003278700000000, -0.0010898500000000, 0.0008866700000000 ] - [ 0.0001283000000000, 0.0002046300000000, 0.0005971400000000 ] - [ 0.0002502200000000, 0.0000688500000000, 0.0006515900000000 ] - [ -0.0002059400000000, 0.0003007000000000, 0.0003777600000000 ] - [ -0.0098633700000000, 0.0007739700000000, 0.0001967300000000 ] - [ -0.0003134300000000, 0.0001021100000000, 0.0004252200000000 ] - [ -0.0005349700000000, 0.0050455100000000, -0.0003458700000000 ] - [ 0.0896338000000000, -0.1875447200000000, -0.0915017200000000 ] - [ -0.0005415800000000, 0.0031874000000000, -0.0003202700000000 ] - [ -0.0000561800000000, 0.0002042000000000, 0.0007202900000000 ] - [ 0.0001210300000000, 0.0001434500000000, 0.0007405400000000 ] - [ 0.0000672200000000, 0.0002131700000000, 0.0002776500000000 ] - [ 0.0021371300000000, 0.0013119700000000, 0.0072630700000000 ] - [ 0.0012784100000000, -0.0034234400000000, -0.0012839300000000 ] - [ 0.0001549500000000, 0.0000712100000000, -0.0009886700000000 ] - [ -0.0001516400000000, -0.0005138100000000, -0.0002837900000000 ] - [ -0.0001364200000000, -0.0000557700000000, -0.0005243000000000 ] - [ -0.1100038300000000, 0.2090406900000000, 0.1030079400000000 ] - [ 0.0003269600000000, -0.0023571500000000, 0.0008459400000000 ] - [ -0.0001027800000000, 0.0003231500000000, -0.0000953000000000 ] - [ -0.0000834200000000, 0.0000914900000000, 0.0002490100000000 ] - [ 0.0290799200000000, 0.0083524900000000, 0.0064222200000000 ] - [ 0.0012463900000000, -0.0027265400000000, 0.0008604500000000 ] - [ -0.0000015300000000, 0.0000338600000000, -0.0003995100000000 ] - [ 0.0010987000000000, -0.0005209100000000, -0.0002600600000000 ] - [ 0.0000198100000000, 0.0005928000000000, -0.0001294800000000 ] - [ -0.0005946700000000, -0.0024738100000000, -0.0004742200000000 ] - [ 0.0003687100000000, -0.0025499700000000, -0.0012355000000000 ] - [ -0.0001222200000000, 0.0002187200000000, -0.0003261700000000 ] - [ -0.0000942600000000, 0.0002181000000000, 0.0000581600000000 ] - [ 0.0000618400000000, 0.0001509600000000, -0.0001812100000000 ] - [ 0.0000190000000000, -0.0000752200000000, -0.0004308600000000 ] - [ 0.0010406000000000, -0.0000001300000000, -0.0021236700000000 ] - [ -0.0010360000000000, -0.0013414300000000, 0.0019005500000000 ] - [ 0.0003310900000000, 0.0000995500000000, -0.0000442200000000 ] - [ 0.0000045000000000, -0.0002046800000000, -0.0002251700000000 ] - [ -0.0086444800000000, 0.0092293500000000, -0.0238998700000000 ] - [ -0.0000713600000000, 0.0001959200000000, -0.0001251500000000 ] - [ 0.0001210800000000, 0.0004479800000000, -0.0004262900000000 ] - [ -0.0001579800000000, 0.0002618900000000, -0.0008742800000000 ] - [ -0.0007197100000000, -0.0021838300000000, -0.0000314300000000 ] - [ -0.0001512900000000, -0.0012275500000000, -0.0001892800000000 ] - [ -0.0016922000000000, -0.0032709400000000, 0.0008692200000000 ] - [ -0.0025262100000000, 0.0000482800000000, -0.0004996300000000 ] - [ 0.0005341800000000, 0.0017211000000000, -0.0011908800000000 ] - [ 0.0002967700000000, 0.0001115400000000, -0.0008507200000000 ] - [ 0.0009546600000000, -0.0016544800000000, 0.0011746400000000 ] - [ -0.0003229100000000, 0.0002194400000000, -0.0012190700000000 ] - [ -0.0014443500000000, -0.0023889800000000, -0.0007965800000000 ] - [ -0.0001885400000000, 0.0013016100000000, -0.0005043500000000 ] - [ -0.0001706200000000, 0.0004534200000000, 0.0005875600000000 ] - [ 0.0000908500000000, 0.0002317300000000, -0.0004636200000000 ] - [ 0.0031167900000000, -0.0033039200000000, 0.0027599000000000 ] - [ 0.0000414800000000, -0.0004451200000000, -0.0004002900000000 ] - [ 0.0004969300000000, -0.0030626000000000, -0.0004566300000000 ] - [ 0.0047962700000000, 0.0042840100000000, 0.0015272900000000 ] - [ 0.0001233800000000, 0.0014094200000000, -0.0016602400000000 ] - [ -0.0017638400000000, -0.0007102200000000, 0.0013934400000000 ] - [ 0.0000157900000000, 0.0005112400000000, -0.0000607100000000 ] - [ 0.0001523900000000, 0.0001033300000000, -0.0005297000000000 ] - [ -0.0033614200000000, -0.0259507900000000, 0.0047091200000000 ]- atom: 69 displacement: [ -0.0000185648863736, 0.0000000000000000, 0.0099999827672348 ] forces: - [ 0.0000101200000000, 0.0000849900000000, 0.0000383900000000 ] - [ -0.0002638100000000, -0.0002850800000000, -0.0002723400000000 ] - [ 0.0000805600000000, 0.0002527200000000, -0.0008073400000000 ] - [ -0.0019982300000000, 0.0013273600000000, -0.0010995100000000 ] - [ 0.0003113600000000, -0.0001680300000000, -0.0010348900000000 ] - [ -0.0002875300000000, 0.0002314800000000, -0.0003081200000000 ] - [ 0.0000966900000000, -0.0001097300000000, -0.0000030300000000 ] - [ -0.0003672200000000, -0.0018150600000000, 0.0042316500000000 ] - [ -0.0000127700000000, 0.0005385900000000, -0.0003949300000000 ] - [ 0.0002783400000000, -0.0001902900000000, -0.0004038300000000 ] - [ 0.0000124400000000, 0.0004038800000000, -0.0002711000000000 ] - [ 0.0000223600000000, -0.0001260300000000, -0.0002531900000000 ] - [ -0.0001364400000000, -0.0000085600000000, -0.0002102400000000 ] - [ 0.0001133700000000, 0.0000136700000000, -0.0003569800000000 ] - [ 0.0000500500000000, -0.0001168400000000, -0.0004299800000000 ] - [ 0.0001247700000000, 0.0004600700000000, -0.0002891600000000 ] - [ 0.0000424000000000, -0.0010331700000000, 0.0000636600000000 ] - [ -0.0001073100000000, 0.0004318000000000, 0.0013289000000000 ] - [ -0.0000765300000000, 0.0001239300000000, -0.0001922600000000 ] - [ 0.0000109800000000, 0.0002277200000000, -0.0002121500000000 ] - [ -0.0000323800000000, 0.0002784300000000, -0.0000765000000000 ] - [ 0.0013178300000000, -0.0005116700000000, 0.0031023200000000 ] - [ -0.0018658900000000, 0.0001983700000000, 0.0019949500000000 ] - [ 0.0000086200000000, 0.0002561500000000, -0.0002947200000000 ] - [ 0.0000046000000000, -0.0002426800000000, 0.0000694000000000 ] - [ -0.0003069200000000, -0.0015641600000000, 0.0007305100000000 ] - [ -0.0027729300000000, -0.0001729200000000, -0.0001117200000000 ] - [ 0.0007830500000000, 0.0002237200000000, 0.0000853000000000 ] - [ 0.0007320800000000, 0.0007294800000000, 0.0006712700000000 ] - [ -0.0000541600000000, -0.0000353200000000, 0.0000648700000000 ] - [ -0.0008755400000000, -0.0002662600000000, 0.0005578900000000 ] - [ 0.0002801700000000, -0.0001357100000000, 0.0005891100000000 ] - [ -0.0000024700000000, 0.0001101200000000, -0.0004775100000000 ] - [ -0.0002261600000000, -0.0005984300000000, -0.0000606500000000 ] - [ -0.0001774100000000, 0.0002872000000000, -0.0002691300000000 ] - [ -0.0002473700000000, -0.0002475400000000, -0.0004326400000000 ] - [ 0.0001047800000000, 0.0001531200000000, -0.0003176000000000 ] - [ -0.0000894300000000, -0.0001127100000000, -0.0008101100000000 ] - [ 0.0000195300000000, 0.0000330900000000, -0.0002618000000000 ] - [ 0.0006479400000000, 0.0019251300000000, 0.0016065300000000 ] - [ 0.0000076800000000, -0.0005136600000000, 0.0002750100000000 ] - [ -0.0000550700000000, 0.0002972500000000, -0.0005758500000000 ] - [ 0.0000934100000000, -0.0014501400000000, 0.0002090100000000 ] - [ 0.0003814100000000, -0.0008568500000000, 0.0005361800000000 ] - [ 0.0000756100000000, -0.0000356400000000, -0.0003512600000000 ] - [ 0.0003145700000000, -0.0004627100000000, -0.0003415000000000 ] - [ 0.0000046200000000, 0.0001423300000000, -0.0002263100000000 ] - [ -0.0001042500000000, 0.0001655200000000, -0.0001877300000000 ] - [ -0.0000528200000000, 0.0003740500000000, 0.0023808700000000 ] - [ -0.0014684300000000, -0.0003970500000000, 0.0003385300000000 ] - [ -0.0008033100000000, -0.0028987700000000, 0.0021926000000000 ] - [ -0.0000050000000000, 0.0018330400000000, -0.0019621400000000 ] - [ -0.0000402000000000, 0.0000659700000000, -0.0018326400000000 ] - [ 0.0010320500000000, -0.0003125900000000, -0.0011400500000000 ] - [ -0.0002890000000000, -0.0000613100000000, -0.0011946200000000 ] - [ 0.0043824000000000, -0.0015916000000000, 0.0011658200000000 ] - [ -0.0000554000000000, 0.0000322800000000, -0.0014388900000000 ] - [ -0.0002434500000000, -0.0030812600000000, 0.0029553300000000 ] - [ -0.0590737400000000, 0.0826270200000000, 0.1026958600000000 ] - [ -0.0002089200000000, 0.0008037400000000, 0.0029186400000000 ] - [ -0.0001193800000000, 0.0003670500000000, -0.0008595600000000 ] - [ 0.0003505100000000, 0.0002270500000000, -0.0008547300000000 ] - [ 0.0000536400000000, 0.0000115500000000, -0.0012981300000000 ] - [ -0.0042552200000000, 0.0006337500000000, -0.0083927400000000 ] - [ -0.0011892200000000, 0.0042226300000000, -0.0002760700000000 ] - [ -0.0005941100000000, 0.0001589400000000, 0.0019363400000000 ] - [ -0.0000912400000000, 0.0005046900000000, 0.0005683500000000 ] - [ 0.0001711200000000, 0.0005316900000000, 0.0004188700000000 ] - [ 0.0705964200000000, -0.1001446900000000, -0.1068700800000000 ] - [ -0.0010515700000000, 0.0014593300000000, -0.0020676900000000 ] - [ -0.0000702800000000, -0.0003533900000000, 0.0006216600000000 ] - [ -0.0001008100000000, 0.0001088100000000, 0.0004612000000000 ] - [ -0.0162947600000000, -0.0053212200000000, -0.0057701200000000 ] - [ -0.0004595900000000, 0.0008593500000000, -0.0005590600000000 ] - [ 0.0001297900000000, 0.0005612500000000, 0.0003986600000000 ] - [ 0.0003000400000000, -0.0002676500000000, -0.0003495300000000 ] - [ -0.0000295500000000, -0.0001641400000000, 0.0005295500000000 ] - [ 0.0004492300000000, 0.0012419900000000, 0.0001810500000000 ] - [ 0.0002784400000000, 0.0022742400000000, 0.0025806500000000 ] - [ 0.0002317300000000, -0.0002861900000000, 0.0008210500000000 ] - [ 0.0000328700000000, 0.0002121100000000, 0.0005908900000000 ] - [ -0.0000502900000000, -0.0004408900000000, 0.0005014900000000 ] - [ -0.0001425300000000, 0.0005951500000000, 0.0005344700000000 ] - [ 0.0004987400000000, 0.0000604000000000, -0.0010123000000000 ] - [ 0.0011153900000000, 0.0003487600000000, -0.0036020600000000 ] - [ -0.0006816400000000, 0.0001859900000000, 0.0006479100000000 ] - [ 0.0003310300000000, 0.0000074700000000, 0.0007841400000000 ] - [ -0.0032838100000000, 0.0078208300000000, 0.0190912500000000 ] - [ 0.0000275200000000, -0.0003413700000000, 0.0005291500000000 ] - [ -0.0003187900000000, -0.0002580700000000, 0.0009977300000000 ] - [ 0.0004781000000000, 0.0001502200000000, 0.0017135300000000 ] - [ 0.0000910200000000, 0.0007428600000000, -0.0004104300000000 ] - [ 0.0001441400000000, 0.0007197500000000, 0.0004684200000000 ] - [ 0.0004885700000000, 0.0007096200000000, -0.0005047100000000 ] - [ 0.0036132500000000, 0.0000304600000000, -0.0000354100000000 ] - [ -0.0009328900000000, -0.0018094100000000, 0.0014752100000000 ] - [ -0.0003438900000000, 0.0000820300000000, 0.0017703300000000 ] - [ -0.0010910600000000, 0.0001456000000000, -0.0042140900000000 ] - [ 0.0005760200000000, 0.0002363500000000, 0.0027508200000000 ] - [ 0.0010720100000000, 0.0029528100000000, -0.0003426600000000 ] - [ 0.0002721000000000, -0.0006852400000000, 0.0003838500000000 ] - [ 0.0003167800000000, -0.0004165200000000, 0.0003140600000000 ] - [ 0.0000727400000000, 0.0002072100000000, -0.0001076000000000 ] - [ 0.0011691700000000, -0.0024709000000000, 0.0001245500000000 ] - [ -0.0000073600000000, 0.0006411300000000, 0.0004932300000000 ] - [ 0.0001169400000000, -0.0004847800000000, -0.0005244800000000 ] - [ -0.0026242100000000, -0.0014561300000000, -0.0025258700000000 ] - [ 0.0001522900000000, -0.0014125600000000, 0.0032218600000000 ] - [ -0.0006331500000000, -0.0015383800000000, -0.0002812200000000 ] - [ -0.0000457600000000, 0.0002059500000000, 0.0003656900000000 ] - [ -0.0001658200000000, 0.0006989600000000, 0.0004137800000000 ] - [ 0.0124036400000000, 0.0127050600000000, -0.0167313500000000 ]- atom: 69 displacement: [ 0.0000185648863736, 0.0000000000000000, -0.0099999827672348 ] forces: - [ 0.0000126300000000, 0.0001658200000000, 0.0003959200000000 ] - [ -0.0002583300000000, -0.0003039800000000, 0.0001462700000000 ] - [ 0.0004404000000000, 0.0003332300000000, 0.0009260600000000 ] - [ 0.0019709500000000, -0.0010716700000000, 0.0006689400000000 ] - [ -0.0003338400000000, -0.0000851400000000, 0.0005994100000000 ] - [ -0.0002333400000000, 0.0003559800000000, 0.0001864800000000 ] - [ -0.0000755100000000, -0.0001439800000000, 0.0004376700000000 ] - [ 0.0007885000000000, 0.0011484300000000, -0.0040065200000000 ] - [ 0.0000447500000000, -0.0003061200000000, 0.0004114500000000 ] - [ -0.0001619300000000, 0.0004640200000000, 0.0005948700000000 ] - [ -0.0000151400000000, 0.0001610900000000, 0.0001960200000000 ] - [ -0.0000230800000000, 0.0000885300000000, 0.0002273400000000 ] - [ -0.0001220300000000, 0.0000639700000000, 0.0003200800000000 ] - [ 0.0000533500000000, -0.0001975500000000, 0.0005250400000000 ] - [ 0.0000723700000000, 0.0002760100000000, 0.0002678300000000 ] - [ -0.0002969200000000, -0.0002710200000000, 0.0001207500000000 ] - [ 0.0000788200000000, 0.0008658700000000, -0.0002351900000000 ] - [ 0.0000694600000000, -0.0006451300000000, -0.0013432500000000 ] - [ -0.0000462600000000, 0.0000368200000000, 0.0003512500000000 ] - [ -0.0000085500000000, 0.0003365900000000, 0.0002859100000000 ] - [ 0.0000542100000000, 0.0000574400000000, 0.0005437900000000 ] - [ -0.0014215500000000, 0.0003416900000000, -0.0029587500000000 ] - [ 0.0018753600000000, -0.0001462900000000, -0.0019662800000000 ] - [ -0.0000424100000000, 0.0001207400000000, 0.0003022500000000 ] - [ -0.0000047900000000, 0.0002772500000000, -0.0000938500000000 ] - [ 0.0002414500000000, 0.0014358300000000, -0.0006706900000000 ] - [ 0.0027103300000000, -0.0001997900000000, 0.0000789200000000 ] - [ -0.0007635800000000, -0.0005562700000000, 0.0003811800000000 ] - [ -0.0005531400000000, -0.0005271300000000, -0.0005005500000000 ] - [ 0.0000531300000000, -0.0005266200000000, -0.0001383100000000 ] - [ 0.0006078000000000, 0.0002104600000000, -0.0004386900000000 ] - [ -0.0001845300000000, 0.0000512000000000, -0.0003929800000000 ] - [ -0.0000198400000000, 0.0002249600000000, 0.0000078600000000 ] - [ 0.0003439100000000, 0.0003130900000000, 0.0002611900000000 ] - [ 0.0002118100000000, -0.0005043200000000, 0.0002889500000000 ] - [ 0.0001536100000000, 0.0003208300000000, 0.0002426500000000 ] - [ 0.0001529000000000, -0.0000972400000000, 0.0002043400000000 ] - [ -0.0000260300000000, 0.0003917600000000, 0.0006099100000000 ] - [ -0.0000180800000000, -0.0000710600000000, 0.0002859800000000 ] - [ -0.0003715600000000, -0.0018902000000000, -0.0018492500000000 ] - [ -0.0000291300000000, 0.0001779800000000, -0.0007431700000000 ] - [ 0.0000249800000000, -0.0000713000000000, 0.0005599900000000 ] - [ -0.0000619700000000, 0.0010624900000000, -0.0002176000000000 ] - [ -0.0003729800000000, 0.0002877700000000, -0.0004563500000000 ] - [ 0.0000156700000000, 0.0001078100000000, 0.0005359700000000 ] - [ -0.0004091300000000, 0.0003875900000000, 0.0001573400000000 ] - [ 0.0000291300000000, 0.0002342100000000, 0.0002162400000000 ] - [ -0.0000638500000000, -0.0003510900000000, 0.0000194000000000 ] - [ 0.0005007700000000, -0.0006109800000000, -0.0021047800000000 ] - [ 0.0020459400000000, 0.0001715700000000, -0.0000041800000000 ] - [ 0.0002307700000000, 0.0026671900000000, -0.0025389500000000 ] - [ -0.0001401500000000, -0.0016288800000000, 0.0024313700000000 ] - [ 0.0002234500000000, 0.0003528200000000, 0.0015595600000000 ] - [ -0.0004538700000000, 0.0005311400000000, 0.0014794100000000 ] - [ -0.0002828000000000, 0.0002856000000000, 0.0008462500000000 ] - [ -0.0047567300000000, 0.0013590000000000, -0.0014490100000000 ] - [ -0.0003895900000000, 0.0002040900000000, 0.0011651600000000 ] - [ 0.0003876400000000, 0.0028890900000000, -0.0034421800000000 ] - [ 0.0607697300000000, -0.0851123000000000, -0.1031290400000000 ] - [ 0.0000231500000000, -0.0012305200000000, -0.0026581900000000 ] - [ -0.0000660300000000, 0.0000535400000000, 0.0011261700000000 ] - [ 0.0000942600000000, 0.0000103900000000, 0.0011235100000000 ] - [ 0.0000902200000000, 0.0001859200000000, 0.0008139400000000 ] - [ 0.0041412300000000, -0.0008388400000000, 0.0089043000000000 ] - [ 0.0009792100000000, -0.0041756100000000, 0.0002061200000000 ] - [ 0.0004603300000000, 0.0000480400000000, -0.0021189200000000 ] - [ -0.0001168800000000, -0.0005519200000000, -0.0006340300000000 ] - [ -0.0001891700000000, -0.0003161200000000, -0.0005902400000000 ] - [ -0.0720358100000000, 0.1016434100000000, 0.1071019600000000 ] - [ 0.0011272300000000, -0.0016787200000000, 0.0017877400000000 ] - [ -0.0001576400000000, 0.0003865000000000, -0.0004761000000000 ] - [ -0.0000082700000000, 0.0000869300000000, 0.0000030800000000 ] - [ 0.0160280700000000, 0.0049301100000000, 0.0062917300000000 ] - [ 0.0004458100000000, -0.0010653500000000, 0.0003935400000000 ] - [ -0.0000391800000000, -0.0003344700000000, -0.0006641000000000 ] - [ -0.0001519600000000, -0.0001758300000000, -0.0001723700000000 ] - [ 0.0000664100000000, 0.0006859400000000, -0.0006189900000000 ] - [ -0.0005568900000000, -0.0014312000000000, 0.0002905700000000 ] - [ -0.0000765300000000, -0.0022349200000000, -0.0025262600000000 ] - [ -0.0002105300000000, 0.0004978300000000, -0.0006449700000000 ] - [ -0.0001856800000000, 0.0002311700000000, -0.0000672400000000 ] - [ 0.0001149800000000, 0.0005299000000000, -0.0003029300000000 ] - [ 0.0000752600000000, -0.0005014700000000, -0.0007293800000000 ] - [ -0.0006450700000000, -0.0002687000000000, 0.0008512400000000 ] - [ -0.0009809700000000, -0.0005526100000000, 0.0037848200000000 ] - [ 0.0007869000000000, 0.0000106100000000, -0.0011014200000000 ] - [ -0.0000987600000000, 0.0000222300000000, -0.0009168600000000 ] - [ 0.0032582100000000, -0.0084289200000000, -0.0192811900000000 ] - [ -0.0001157900000000, 0.0005635000000000, -0.0002604500000000 ] - [ 0.0002589000000000, 0.0007848000000000, -0.0008028900000000 ] - [ -0.0003483900000000, 0.0002906600000000, -0.0016434200000000 ] - [ -0.0003221800000000, -0.0007728700000000, 0.0005483500000000 ] - [ -0.0001494300000000, -0.0008869000000000, -0.0002752100000000 ] - [ -0.0004330400000000, -0.0012287400000000, 0.0003219600000000 ] - [ -0.0035210100000000, -0.0002286000000000, -0.0004304000000000 ] - [ 0.0008988700000000, 0.0012815700000000, -0.0013827600000000 ] - [ 0.0004747600000000, 0.0001243700000000, -0.0015758500000000 ] - [ 0.0012195200000000, -0.0005890200000000, 0.0042778000000000 ] - [ -0.0007026400000000, 0.0002048900000000, -0.0028053100000000 ] - [ -0.0010605700000000, -0.0031116300000000, 0.0001487400000000 ] - [ -0.0000421100000000, 0.0006493000000000, -0.0005239000000000 ] - [ -0.0003562800000000, 0.0009338800000000, -0.0002158300000000 ] - [ 0.0000814700000000, 0.0002363100000000, -0.0004121700000000 ] - [ -0.0011195800000000, 0.0023974500000000, 0.0000666200000000 ] - [ 0.0000134500000000, -0.0004735700000000, -0.0006830700000000 ] - [ -0.0000734800000000, -0.0000540500000000, 0.0004296700000000 ] - [ 0.0026065400000000, 0.0012271400000000, 0.0026743700000000 ] - [ 0.0000521900000000, 0.0013605200000000, -0.0031295200000000 ] - [ 0.0005497100000000, 0.0013105500000000, 0.0005518100000000 ] - [ 0.0000418900000000, -0.0000358500000000, -0.0001704800000000 ] - [ 0.0002219600000000, -0.0001680200000000, -0.0006035600000000 ] - [ -0.0125698700000000, -0.0127949900000000, 0.0165605600000000 ]- atom: 70 displacement: [ 0.0099999995909515, 0.0000000000000000, -0.0000028602394792 ] forces: - [ 0.0000609900000000, 0.0001193600000000, 0.0003101600000000 ] - [ -0.0004432700000000, -0.0002816100000000, 0.0000491700000000 ] - [ 0.0003165200000000, 0.0004368600000000, 0.0000948800000000 ] - [ -0.0005605100000000, 0.0005391500000000, 0.0010143900000000 ] - [ -0.0000413800000000, -0.0001487200000000, -0.0003480300000000 ] - [ -0.0004023600000000, 0.0003137400000000, -0.0001255400000000 ] - [ 0.0004089300000000, -0.0000652900000000, 0.0001543000000000 ] - [ -0.0013532500000000, -0.0015976500000000, -0.0020771400000000 ] - [ -0.0000158200000000, 0.0001028000000000, -0.0003627800000000 ] - [ 0.0000856200000000, 0.0000901800000000, -0.0001363100000000 ] - [ 0.0000086100000000, 0.0002612100000000, -0.0000990700000000 ] - [ 0.0000001300000000, 0.0000148500000000, -0.0000724500000000 ] - [ -0.0001286600000000, -0.0000143900000000, 0.0000924800000000 ] - [ 0.0001456600000000, -0.0000996800000000, -0.0000080600000000 ] - [ 0.0000514800000000, 0.0000988500000000, -0.0001580700000000 ] - [ -0.0001067000000000, 0.0002009500000000, -0.0001596000000000 ] - [ -0.0003582400000000, -0.0002503900000000, -0.0000134300000000 ] - [ -0.0008462700000000, -0.0000038400000000, 0.0000475800000000 ] - [ -0.0000601500000000, 0.0001728300000000, 0.0000805300000000 ] - [ -0.0000003500000000, 0.0003495300000000, 0.0000458500000000 ] - [ 0.0000021200000000, 0.0001603500000000, 0.0001783600000000 ] - [ 0.0005343900000000, 0.0003217500000000, 0.0001942600000000 ] - [ -0.0000003200000000, 0.0003869000000000, 0.0000735700000000 ] - [ -0.0000224200000000, 0.0001897400000000, -0.0000391400000000 ] - [ 0.0024403600000000, -0.0002579500000000, 0.0004945600000000 ] - [ -0.0004953000000000, -0.0002633000000000, 0.0000167200000000 ] - [ -0.0001413600000000, -0.0012464000000000, 0.0006497400000000 ] - [ 0.0001095200000000, -0.0000338000000000, -0.0002274400000000 ] - [ 0.0031963500000000, 0.0004063900000000, -0.0006179100000000 ] - [ -0.0000107300000000, -0.0000355100000000, -0.0001813700000000 ] - [ 0.0092018800000000, -0.0024279800000000, -0.0018672500000000 ] - [ 0.0002381100000000, 0.0002916300000000, 0.0005559000000000 ] - [ -0.0000297000000000, 0.0001584200000000, -0.0002578200000000 ] - [ 0.0001046300000000, -0.0002962300000000, 0.0002753900000000 ] - [ 0.0000367200000000, 0.0000017200000000, 0.0000738700000000 ] - [ -0.0000800100000000, 0.0000598100000000, 0.0000698000000000 ] - [ 0.0001153700000000, -0.0000147300000000, -0.0001229400000000 ] - [ -0.0000812600000000, 0.0001614900000000, -0.0001424400000000 ] - [ -0.0000061100000000, -0.0000802800000000, 0.0000024400000000 ] - [ -0.0002107000000000, 0.0002006400000000, -0.0001353200000000 ] - [ 0.0033267200000000, 0.0008289800000000, -0.0007470900000000 ] - [ -0.0000672900000000, 0.0000919900000000, -0.0000645000000000 ] - [ -0.0008001900000000, -0.0001867300000000, -0.0000641600000000 ] - [ 0.0048101100000000, -0.0003855700000000, 0.0000271700000000 ] - [ 0.0000743300000000, 0.0000194200000000, -0.0000063900000000 ] - [ -0.0000831300000000, -0.0001145300000000, -0.0001792600000000 ] - [ 0.0000299900000000, 0.0001832400000000, -0.0000531400000000 ] - [ -0.0001174800000000, -0.0000714800000000, 0.0001248800000000 ] - [ 0.0019553000000000, -0.0005895900000000, -0.0002663000000000 ] - [ -0.0005439600000000, 0.0007968300000000, 0.0007397100000000 ] - [ -0.0020355900000000, -0.0011067100000000, -0.0009396300000000 ] - [ -0.0002127700000000, 0.0001905800000000, -0.0001520400000000 ] - [ 0.0003973500000000, 0.0002535100000000, -0.0007450100000000 ] - [ 0.0006038300000000, -0.0000652900000000, -0.0000676400000000 ] - [ -0.0003642600000000, 0.0000382800000000, -0.0002947800000000 ] - [ 0.0643210000000000, -0.0550150500000000, 0.0303048700000000 ] - [ -0.0005826700000000, 0.0001707200000000, -0.0007028100000000 ] - [ -0.0017294500000000, 0.0017566700000000, 0.0001761400000000 ] - [ -0.0078716800000000, -0.0039613900000000, 0.0003224000000000 ] - [ 0.0012724300000000, 0.0021472500000000, 0.0013464500000000 ] - [ -0.0001071600000000, 0.0002427700000000, 0.0001089200000000 ] - [ 0.0002650300000000, 0.0000845400000000, 0.0001509700000000 ] - [ 0.0002064600000000, 0.0002090300000000, -0.0004562100000000 ] - [ -0.0000912600000000, -0.0001107500000000, 0.0001079700000000 ] - [ -0.0007867300000000, -0.0010582200000000, 0.0001483100000000 ] - [ -0.0000864500000000, 0.0001244300000000, 0.0001188100000000 ] - [ -0.0002144000000000, 0.0006569200000000, -0.0000111100000000 ] - [ 0.0000541700000000, 0.0001475300000000, -0.0000641000000000 ] - [ 0.0017625100000000, -0.0006105100000000, -0.0010589500000000 ] - [ -0.0745590400000000, 0.0695977000000000, -0.0261604800000000 ] - [ -0.0000538900000000, -0.0001101200000000, 0.0001107600000000 ] - [ 0.0000638900000000, 0.0000700000000000, 0.0002341200000000 ] - [ 0.0091846300000000, -0.0113688400000000, 0.0063346900000000 ] - [ 0.0000010600000000, 0.0007728600000000, 0.0000318600000000 ] - [ 0.0005801700000000, 0.0003175200000000, 0.0002956700000000 ] - [ -0.0022902500000000, -0.0008664400000000, -0.0005314800000000 ] - [ -0.0001304300000000, -0.0005213800000000, 0.0000273000000000 ] - [ 0.0027510700000000, -0.0001649200000000, 0.0001502900000000 ] - [ -0.0000236700000000, 0.0002220700000000, -0.0001930500000000 ] - [ 0.0007081700000000, -0.0001992200000000, 0.0007134400000000 ] - [ -0.0000608300000000, 0.0002094300000000, 0.0003266300000000 ] - [ 0.0000320100000000, 0.0000279000000000, 0.0002399900000000 ] - [ -0.0005244900000000, 0.0002455600000000, 0.0003354800000000 ] - [ -0.0064049900000000, 0.0037203800000000, 0.0063469300000000 ] - [ 0.0000449900000000, 0.0004156400000000, 0.0006694200000000 ] - [ -0.0000831800000000, 0.0001199300000000, 0.0003609000000000 ] - [ -0.0001863200000000, 0.0001206400000000, -0.0000194000000000 ] - [ 0.0007052900000000, -0.0000886700000000, 0.0007932900000000 ] - [ -0.0000388000000000, 0.0000707300000000, 0.0001175400000000 ] - [ -0.0006999800000000, -0.0000094300000000, 0.0007006200000000 ] - [ 0.0000479400000000, 0.0001780400000000, 0.0000374800000000 ] - [ 0.0013370200000000, 0.0028007700000000, -0.0010537100000000 ] - [ -0.0000176400000000, 0.0004096000000000, 0.0002299700000000 ] - [ 0.0002700700000000, -0.0020326800000000, -0.0006923600000000 ] - [ 0.0001382600000000, -0.0000885300000000, -0.0006969700000000 ] - [ -0.0001955900000000, -0.0004621100000000, -0.0001585100000000 ] - [ 0.0000567100000000, 0.0001083800000000, 0.0001686900000000 ] - [ 0.0005792100000000, -0.0018371200000000, -0.0003637500000000 ] - [ -0.0000298200000000, 0.0002315000000000, 0.0002867700000000 ] - [ -0.0000568300000000, -0.0000008600000000, -0.0003013300000000 ] - [ 0.0006563900000000, -0.0001199700000000, -0.0006476600000000 ] - [ 0.0003578900000000, 0.0002780400000000, 0.0001057700000000 ] - [ 0.0000311500000000, 0.0002197100000000, -0.0002721900000000 ] - [ 0.0000381500000000, -0.0013400700000000, -0.0001914800000000 ] - [ 0.0000548900000000, 0.0002715900000000, -0.0000204100000000 ] - [ 0.0016830700000000, -0.0035289900000000, 0.0009842000000000 ] - [ -0.0127282500000000, -0.0032742100000000, -0.0128915600000000 ] - [ 0.0005441200000000, -0.0000827300000000, 0.0001619300000000 ] - [ -0.0001500600000000, -0.0004039500000000, 0.0003850400000000 ] - [ -0.0002071600000000, 0.0001676800000000, -0.0001113000000000 ] - [ 0.0000065800000000, 0.0002447900000000, -0.0000133300000000 ] - [ 0.0035211900000000, 0.0030914900000000, -0.0009551600000000 ]- atom: 70 displacement: [ -0.0099999995909515, 0.0000000000000000, 0.0000028602394792 ] forces: - [ -0.0000880200000000, 0.0001304100000000, 0.0001802900000000 ] - [ -0.0000655500000000, -0.0003149600000000, -0.0001513200000000 ] - [ 0.0002527400000000, 0.0002975700000000, 0.0001581500000000 ] - [ 0.0005350800000000, -0.0002829600000000, -0.0014624700000000 ] - [ 0.0000228600000000, -0.0001147400000000, -0.0000984500000000 ] - [ -0.0001095600000000, 0.0002734300000000, -0.0000157200000000 ] - [ -0.0003868300000000, -0.0001926400000000, 0.0002540900000000 ] - [ 0.0019065100000000, 0.0010188700000000, 0.0021964800000000 ] - [ 0.0000533400000000, 0.0001206500000000, 0.0003549000000000 ] - [ 0.0000311200000000, 0.0001867100000000, 0.0002954500000000 ] - [ -0.0000158400000000, 0.0002785000000000, -0.0000101900000000 ] - [ -0.0000051500000000, -0.0000215400000000, -0.0000001700000000 ] - [ -0.0001298500000000, 0.0000185100000000, 0.0000870100000000 ] - [ 0.0000690400000000, -0.0001256900000000, 0.0001520500000000 ] - [ 0.0000647900000000, 0.0000937500000000, -0.0000563800000000 ] - [ -0.0000705600000000, 0.0000361100000000, 0.0000036000000000 ] - [ 0.0004734600000000, 0.0000440900000000, -0.0001229800000000 ] - [ 0.0007936500000000, -0.0002042400000000, -0.0000918100000000 ] - [ -0.0000609700000000, 0.0000900100000000, 0.0001139700000000 ] - [ 0.0000007200000000, 0.0002826900000000, 0.0000617400000000 ] - [ 0.0000184900000000, 0.0001598000000000, 0.0002360900000000 ] - [ -0.0006463900000000, -0.0005004300000000, -0.0000310700000000 ] - [ -0.0000068200000000, -0.0003533800000000, -0.0000658900000000 ] - [ -0.0000206800000000, 0.0001801300000000, 0.0000500500000000 ] - [ -0.0024545500000000, 0.0002647200000000, -0.0004974000000000 ] - [ 0.0003665900000000, -0.0000293300000000, -0.0002186900000000 ] - [ 0.0001207900000000, 0.0008738300000000, -0.0005892400000000 ] - [ -0.0000978200000000, -0.0002920600000000, 0.0007422400000000 ] - [ -0.0030111600000000, -0.0001966600000000, 0.0007432900000000 ] - [ 0.0000038600000000, -0.0004988800000000, 0.0001292300000000 ] - [ -0.0088020000000000, 0.0021759800000000, 0.0017859200000000 ] - [ -0.0001305300000000, -0.0003746300000000, -0.0003766200000000 ] - [ -0.0000168000000000, 0.0001698400000000, -0.0002136200000000 ] - [ 0.0000356100000000, 0.0000062100000000, -0.0000789700000000 ] - [ 0.0000193600000000, -0.0002213400000000, -0.0000604700000000 ] - [ -0.0000179100000000, 0.0000150700000000, -0.0002681100000000 ] - [ 0.0001398700000000, 0.0000195700000000, -0.0000330000000000 ] - [ -0.0000481200000000, 0.0001586500000000, -0.0000384500000000 ] - [ 0.0000016100000000, -0.0000206500000000, 0.0000405800000000 ] - [ 0.0004705400000000, -0.0002344300000000, 0.0000194600000000 ] - [ -0.0033621600000000, -0.0011437500000000, 0.0002674200000000 ] - [ -0.0000124300000000, 0.0000855700000000, 0.0000451300000000 ] - [ 0.0008342500000000, -0.0001797900000000, 0.0000381900000000 ] - [ -0.0052426100000000, -0.0003064400000000, 0.0000311600000000 ] - [ 0.0000383800000000, 0.0000847300000000, 0.0001885000000000 ] - [ -0.0000186400000000, 0.0000021100000000, 0.0000014300000000 ] - [ 0.0000244600000000, 0.0001898200000000, 0.0000194400000000 ] - [ -0.0000599000000000, -0.0001230000000000, -0.0003035200000000 ] - [ -0.0014984400000000, 0.0003527100000000, 0.0005525000000000 ] - [ 0.0009805100000000, -0.0010032200000000, -0.0001860200000000 ] - [ 0.0014542100000000, 0.0008926900000000, 0.0005382600000000 ] - [ 0.0000808300000000, 0.0000274100000000, 0.0005868200000000 ] - [ 0.0001268400000000, 0.0002211000000000, 0.0000405200000000 ] - [ 0.0000219600000000, 0.0003186900000000, 0.0003403700000000 ] - [ -0.0002582400000000, 0.0001476300000000, -0.0000771200000000 ] - [ -0.0640743800000000, 0.0548634400000000, -0.0306747400000000 ] - [ -0.0002448700000000, 0.0001043000000000, -0.0000050900000000 ] - [ 0.0018756500000000, -0.0019431900000000, -0.0007276500000000 ] - [ 0.0080062400000000, 0.0035799300000000, -0.0005769900000000 ] - [ -0.0014601800000000, -0.0025509700000000, -0.0010581900000000 ] - [ -0.0001248500000000, 0.0001619100000000, 0.0002501400000000 ] - [ 0.0001768000000000, 0.0001263300000000, 0.0002117000000000 ] - [ 0.0000961500000000, 0.0000945000000000, -0.0001440300000000 ] - [ 0.0000689000000000, -0.0000580500000000, 0.0007274400000000 ] - [ 0.0005661600000000, 0.0010919500000000, -0.0002047000000000 ] - [ -0.0000025300000000, 0.0000901500000000, -0.0002685800000000 ] - [ -0.0000765000000000, -0.0000894600000000, -0.0000611100000000 ] - [ -0.0000408700000000, 0.0000869900000000, -0.0001035400000000 ] - [ -0.0017071400000000, 0.0000269600000000, 0.0011660800000000 ] - [ 0.0737905600000000, -0.0695468800000000, 0.0261253900000000 ] - [ -0.0001274100000000, 0.0000806000000000, 0.0000083200000000 ] - [ -0.0000880300000000, 0.0000950100000000, 0.0002106200000000 ] - [ -0.0092884900000000, 0.0110574900000000, -0.0058925400000000 ] - [ 0.0000282000000000, -0.0010012300000000, -0.0001698900000000 ] - [ 0.0000434300000000, 0.0000827400000000, -0.0001914800000000 ] - [ 0.0024424800000000, 0.0004095900000000, 0.0000004800000000 ] - [ 0.0000458700000000, 0.0003224600000000, -0.0000795700000000 ] - [ -0.0028646000000000, -0.0000428300000000, 0.0003263000000000 ] - [ 0.0000908800000000, -0.0002174400000000, -0.0000467000000000 ] - [ -0.0000257700000000, 0.0001430100000000, -0.0000238300000000 ] - [ -0.0001022400000000, 0.0002271600000000, 0.0002198100000000 ] - [ 0.0000398600000000, 0.0001137400000000, 0.0000037300000000 ] - [ -0.0000240700000000, 0.0000037700000000, -0.0001666400000000 ] - [ 0.0061697200000000, -0.0039697500000000, -0.0063871800000000 ] - [ 0.0000848300000000, -0.0006377400000000, -0.0004595200000000 ] - [ 0.0001465200000000, 0.0000682200000000, -0.0007799100000000 ] - [ 0.0004278500000000, -0.0000755400000000, -0.0000851500000000 ] - [ -0.0008316300000000, -0.0003670900000000, -0.0008461000000000 ] - [ -0.0000554200000000, 0.0001354500000000, 0.0001360700000000 ] - [ 0.0000145700000000, 0.0002998400000000, -0.0000158900000000 ] - [ 0.0000253800000000, 0.0002350700000000, -0.0001341900000000 ] - [ -0.0015787100000000, -0.0028716200000000, 0.0012296500000000 ] - [ 0.0000995600000000, -0.0006011500000000, -0.0002757100000000 ] - [ -0.0002700200000000, 0.0014748100000000, 0.0005306300000000 ] - [ 0.0001309000000000, -0.0001061400000000, -0.0001361900000000 ] - [ -0.0000354200000000, -0.0000683300000000, -0.0000890800000000 ] - [ 0.0001032700000000, 0.0001067900000000, -0.0000559300000000 ] - [ -0.0004482900000000, 0.0013709100000000, 0.0004567500000000 ] - [ -0.0001208300000000, 0.0002237000000000, -0.0002835000000000 ] - [ 0.0000603800000000, -0.0001921800000000, 0.0001309800000000 ] - [ -0.0003371800000000, 0.0001177000000000, 0.0002925100000000 ] - [ -0.0004017600000000, 0.0002561600000000, 0.0000321000000000 ] - [ 0.0001245000000000, 0.0002254700000000, -0.0002714900000000 ] - [ 0.0000037500000000, 0.0013023000000000, 0.0004054800000000 ] - [ -0.0000184900000000, -0.0000076900000000, -0.0001778800000000 ] - [ -0.0016741500000000, 0.0030009500000000, -0.0010336500000000 ] - [ 0.0125822500000000, 0.0029442100000000, 0.0130024300000000 ] - [ -0.0003366500000000, 0.0000189900000000, -0.0000580300000000 ] - [ 0.0000934300000000, 0.0002317400000000, -0.0000749300000000 ] - [ 0.0001995700000000, -0.0000201800000000, 0.0003324500000000 ] - [ 0.0000262000000000, 0.0002322300000000, -0.0001473900000000 ] - [ -0.0035073500000000, -0.0031218800000000, 0.0007012800000000 ]- atom: 70 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000067000000000, 0.0000345700000000, -0.0003571100000000 ] - [ -0.0002627300000000, -0.0003957800000000, -0.0006444800000000 ] - [ 0.0001448900000000, 0.0003844900000000, 0.0007782500000000 ] - [ -0.0000386100000000, 0.0008584900000000, -0.0011597600000000 ] - [ 0.0002924000000000, 0.0000383500000000, 0.0004320300000000 ] - [ -0.0002428300000000, 0.0001554200000000, 0.0005710500000000 ] - [ 0.0000379200000000, -0.0006044500000000, 0.0010993300000000 ] - [ -0.0021383600000000, 0.0022733600000000, -0.0024270200000000 ] - [ 0.0001501000000000, 0.0004941700000000, 0.0004405700000000 ] - [ 0.0000591600000000, -0.0001449500000000, 0.0002885100000000 ] - [ -0.0000045200000000, 0.0003422400000000, 0.0001561700000000 ] - [ -0.0000135500000000, -0.0001087500000000, 0.0001614300000000 ] - [ -0.0001224900000000, -0.0000592400000000, 0.0002273400000000 ] - [ 0.0000116900000000, -0.0005557700000000, 0.0007408800000000 ] - [ 0.0000756300000000, -0.0000062200000000, 0.0000723700000000 ] - [ 0.0002921400000000, -0.0007298200000000, -0.0002571900000000 ] - [ 0.0000840200000000, 0.0009996000000000, -0.0002517400000000 ] - [ -0.0001647500000000, 0.0008758100000000, -0.0003798200000000 ] - [ -0.0000577300000000, 0.0001629800000000, 0.0002495600000000 ] - [ -0.0000022400000000, 0.0002110900000000, 0.0002068300000000 ] - [ -0.0000267200000000, 0.0002112900000000, 0.0003740800000000 ] - [ -0.0019251100000000, -0.0024843800000000, 0.0000390000000000 ] - [ 0.0014209500000000, -0.0022756500000000, -0.0003212900000000 ] - [ -0.0000059100000000, 0.0002243100000000, 0.0001506400000000 ] - [ -0.0003437700000000, 0.0023590500000000, -0.0065309400000000 ] - [ -0.0001428600000000, -0.0009750300000000, -0.0005195100000000 ] - [ -0.0011592500000000, -0.0005398400000000, 0.0003063300000000 ] - [ 0.0007080500000000, -0.0008832700000000, 0.0005832100000000 ] - [ 0.0003660300000000, 0.0026772800000000, 0.0030334000000000 ] - [ -0.0000079000000000, -0.0025919300000000, 0.0005545200000000 ] - [ 0.0009061300000000, 0.0032082600000000, 0.0001726000000000 ] - [ 0.0004971600000000, -0.0017028000000000, -0.0020527200000000 ] - [ -0.0000215600000000, 0.0001250500000000, -0.0000894200000000 ] - [ -0.0001225800000000, 0.0007110400000000, -0.0002448500000000 ] - [ -0.0002583700000000, -0.0009591200000000, -0.0002580100000000 ] - [ -0.0000703600000000, -0.0002613600000000, 0.0002087200000000 ] - [ 0.0001365900000000, 0.0001206200000000, 0.0001027300000000 ] - [ -0.0000311000000000, 0.0003644200000000, 0.0001439300000000 ] - [ -0.0000123400000000, 0.0000634700000000, 0.0002021900000000 ] - [ 0.0002025900000000, -0.0011744200000000, -0.0000311300000000 ] - [ 0.0000706200000000, 0.0011776300000000, 0.0000408900000000 ] - [ 0.0000049100000000, -0.0001429200000000, 0.0002445400000000 ] - [ 0.0000966400000000, 0.0003891100000000, -0.0000957200000000 ] - [ -0.0031249000000000, 0.0037172500000000, -0.0002645800000000 ] - [ 0.0000151700000000, 0.0003830300000000, 0.0005667800000000 ] - [ 0.0001368300000000, 0.0007043700000000, -0.0004578400000000 ] - [ 0.0000250700000000, 0.0001492200000000, 0.0001412200000000 ] - [ -0.0002568000000000, 0.0002589400000000, 0.0005624600000000 ] - [ -0.0018714900000000, -0.0044314200000000, -0.0026116200000000 ] - [ -0.0010981300000000, -0.0008472500000000, 0.0092582700000000 ] - [ -0.0012026500000000, -0.0037375400000000, -0.0009476100000000 ] - [ -0.0000215100000000, 0.0000077600000000, 0.0007262500000000 ] - [ 0.0001608700000000, 0.0002223100000000, 0.0004509700000000 ] - [ 0.0006377100000000, 0.0007851300000000, 0.0007657100000000 ] - [ -0.0001942400000000, 0.0001981300000000, 0.0003991000000000 ] - [ -0.0608565700000000, 0.2331029200000000, -0.0834196100000000 ] - [ -0.0003417500000000, 0.0001510900000000, 0.0005765300000000 ] - [ 0.0004013800000000, -0.0029962100000000, 0.0000269800000000 ] - [ 0.0111287900000000, 0.0011746800000000, 0.0012872900000000 ] - [ 0.0019871300000000, -0.0047012300000000, -0.0026566000000000 ] - [ -0.0000324100000000, 0.0001587100000000, 0.0007915200000000 ] - [ 0.0001173800000000, 0.0001077600000000, 0.0008108500000000 ] - [ 0.0000643600000000, 0.0000936800000000, 0.0002795500000000 ] - [ -0.0010479600000000, 0.0001511600000000, 0.0020355900000000 ] - [ 0.0011492500000000, 0.0034013900000000, -0.0004972900000000 ] - [ 0.0002097800000000, 0.0000394600000000, -0.0012479700000000 ] - [ -0.0000344400000000, -0.0004864200000000, -0.0001772400000000 ] - [ -0.0001473300000000, 0.0000229700000000, -0.0005749100000000 ] - [ -0.0006620500000000, 0.0019808400000000, 0.0016728600000000 ] - [ 0.0715116100000000, -0.2732706500000000, 0.0996530400000000 ] - [ -0.0002532800000000, 0.0005694300000000, -0.0002054900000000 ] - [ -0.0000918700000000, 0.0000788400000000, 0.0003383300000000 ] - [ -0.0338839100000000, -0.0024749100000000, 0.0018157900000000 ] - [ 0.0008464000000000, 0.0003385700000000, 0.0013536000000000 ] - [ 0.0000052800000000, -0.0000100500000000, -0.0005323700000000 ] - [ 0.0001908800000000, 0.0038334900000000, 0.0019079900000000 ] - [ 0.0001959800000000, 0.0008245100000000, -0.0002249300000000 ] - [ 0.0004529900000000, -0.0001838200000000, 0.0003303200000000 ] - [ 0.0004017000000000, -0.0015863500000000, -0.0003756200000000 ] - [ -0.0001193700000000, 0.0002189700000000, -0.0004341600000000 ] - [ -0.0000777800000000, 0.0002115300000000, 0.0000225500000000 ] - [ 0.0000630800000000, 0.0001627200000000, -0.0002890400000000 ] - [ 0.0000165000000000, -0.0000293200000000, -0.0004081100000000 ] - [ 0.0096995800000000, -0.0046705100000000, -0.0304401700000000 ] - [ 0.0008967800000000, 0.0016712500000000, 0.0017362300000000 ] - [ -0.0001334200000000, 0.0001249900000000, -0.0000748400000000 ] - [ -0.0000018900000000, -0.0012197400000000, -0.0012100300000000 ] - [ -0.0011929700000000, -0.0002014700000000, -0.0028052300000000 ] - [ -0.0000681300000000, 0.0002242800000000, -0.0002418100000000 ] - [ 0.0001067400000000, 0.0003460400000000, -0.0003513300000000 ] - [ -0.0001892300000000, 0.0002694900000000, -0.0009787700000000 ] - [ 0.0045965300000000, 0.0043541400000000, -0.0021953500000000 ] - [ -0.0009166000000000, -0.0035373100000000, -0.0012635600000000 ] - [ -0.0009987200000000, 0.0003329600000000, 0.0013246600000000 ] - [ 0.0030810100000000, 0.0001788400000000, -0.0006484400000000 ] - [ 0.0001659700000000, 0.0012744300000000, -0.0006476800000000 ] - [ 0.0003323500000000, 0.0001214000000000, -0.0009700100000000 ] - [ -0.0017165900000000, 0.0024919700000000, 0.0011613700000000 ] - [ -0.0002872100000000, 0.0001801300000000, -0.0009338300000000 ] - [ -0.0013622600000000, 0.0033816100000000, -0.0004870200000000 ] - [ -0.0011779700000000, 0.0031682000000000, -0.0021984600000000 ] - [ 0.0000389800000000, -0.0002797000000000, 0.0000091200000000 ] - [ 0.0000752700000000, 0.0002262000000000, -0.0005103400000000 ] - [ -0.0002725200000000, 0.0044240400000000, 0.0008925600000000 ] - [ -0.0000980600000000, -0.0004609000000000, -0.0003032200000000 ] - [ -0.0032688100000000, 0.0021013800000000, -0.0015700100000000 ] - [ 0.0124682700000000, 0.0261438900000000, 0.0143056200000000 ] - [ 0.0001318500000000, 0.0003264800000000, -0.0000961100000000 ] - [ 0.0003064000000000, 0.0043568900000000, 0.0011646800000000 ] - [ 0.0000388900000000, 0.0002609100000000, 0.0004566500000000 ] - [ 0.0001543500000000, 0.0001841800000000, -0.0005519400000000 ] - [ -0.0031835800000000, -0.0059341500000000, 0.0010183100000000 ]- atom: 70 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000294300000000, 0.0002141500000000, 0.0007947500000000 ] - [ -0.0002597000000000, -0.0001983000000000, 0.0005091700000000 ] - [ 0.0003765400000000, 0.0002095200000000, -0.0006378700000000 ] - [ 0.0000028500000000, -0.0005961700000000, 0.0007317400000000 ] - [ -0.0003143100000000, -0.0002873400000000, -0.0008649700000000 ] - [ -0.0002791800000000, 0.0004372500000000, -0.0007050800000000 ] - [ -0.0000149400000000, 0.0003526400000000, -0.0006620500000000 ] - [ 0.0026823200000000, -0.0028327600000000, 0.0025742700000000 ] - [ -0.0001111800000000, -0.0002753100000000, -0.0004258000000000 ] - [ 0.0000593800000000, 0.0004277300000000, -0.0000988700000000 ] - [ 0.0000033300000000, 0.0002191700000000, -0.0002324400000000 ] - [ 0.0000177300000000, 0.0000763500000000, -0.0001860900000000 ] - [ -0.0001355800000000, 0.0001110500000000, -0.0001071500000000 ] - [ 0.0001638300000000, 0.0003599400000000, -0.0005678000000000 ] - [ 0.0000466300000000, 0.0001731300000000, -0.0002355800000000 ] - [ -0.0004667100000000, 0.0009206200000000, 0.0000889400000000 ] - [ 0.0000361800000000, -0.0011666300000000, 0.0000829900000000 ] - [ 0.0001277500000000, -0.0010976800000000, 0.0003655900000000 ] - [ -0.0000625300000000, 0.0000043400000000, -0.0000821600000000 ] - [ 0.0000031400000000, 0.0003521500000000, -0.0001268400000000 ] - [ 0.0000489600000000, 0.0001200400000000, 0.0000956900000000 ] - [ 0.0017872900000000, 0.0023111300000000, 0.0001221100000000 ] - [ -0.0014015100000000, 0.0023027400000000, 0.0003415700000000 ] - [ -0.0000278800000000, 0.0001482800000000, -0.0001389300000000 ] - [ 0.0003354300000000, -0.0023562500000000, 0.0064278700000000 ] - [ 0.0000250400000000, 0.0006959400000000, 0.0003275900000000 ] - [ 0.0011232800000000, 0.0001729100000000, -0.0003036700000000 ] - [ -0.0006820900000000, 0.0005486900000000, -0.0001128500000000 ] - [ -0.0001876200000000, -0.0024934900000000, -0.0027883700000000 ] - [ 0.0000039400000000, 0.0020214700000000, -0.0006163300000000 ] - [ -0.0010640100000000, -0.0032662300000000, -0.0000807900000000 ] - [ -0.0003980500000000, 0.0016135000000000, 0.0022314200000000 ] - [ -0.0000013500000000, 0.0002065100000000, -0.0003771400000000 ] - [ 0.0002406400000000, -0.0009901600000000, 0.0004398500000000 ] - [ 0.0002932600000000, 0.0007382500000000, 0.0002665000000000 ] - [ -0.0000280300000000, 0.0003507400000000, -0.0004027700000000 ] - [ 0.0001211400000000, -0.0000679700000000, -0.0002224500000000 ] - [ -0.0000885200000000, -0.0000820800000000, -0.0003352600000000 ] - [ 0.0000093400000000, -0.0000978200000000, -0.0001745600000000 ] - [ 0.0000555300000000, 0.0011217000000000, -0.0000882400000000 ] - [ -0.0001141600000000, -0.0021555200000000, -0.0004112100000000 ] - [ -0.0000408400000000, 0.0003601700000000, -0.0002526800000000 ] - [ -0.0000627500000000, -0.0007658100000000, 0.0000841800000000 ] - [ 0.0030194600000000, -0.0043079600000000, 0.0003345100000000 ] - [ 0.0000828000000000, -0.0003007900000000, -0.0003740300000000 ] - [ -0.0002341800000000, -0.0007844100000000, 0.0002686900000000 ] - [ 0.0000088400000000, 0.0002232500000000, -0.0001506200000000 ] - [ 0.0000791400000000, -0.0004582700000000, -0.0007272400000000 ] - [ 0.0023278100000000, 0.0041869600000000, 0.0028895400000000 ] - [ 0.0016742700000000, 0.0005916500000000, -0.0088781900000000 ] - [ 0.0006193400000000, 0.0034843800000000, 0.0005853100000000 ] - [ -0.0001138200000000, 0.0001807800000000, -0.0002505800000000 ] - [ 0.0000272500000000, 0.0001951600000000, -0.0007094300000000 ] - [ -0.0000637000000000, -0.0005496400000000, -0.0004171600000000 ] - [ -0.0003796600000000, 0.0000275400000000, -0.0007327600000000 ] - [ 0.0567259700000000, -0.2230621200000000, 0.0781079100000000 ] - [ -0.0001062800000000, 0.0000823900000000, -0.0008372000000000 ] - [ -0.0002604100000000, 0.0027840200000000, -0.0005173400000000 ] - [ -0.0108927300000000, -0.0015733600000000, -0.0015454000000000 ] - [ -0.0021847800000000, 0.0042790400000000, 0.0029308200000000 ] - [ -0.0001551800000000, 0.0002569500000000, -0.0005202500000000 ] - [ 0.0003277400000000, 0.0001240600000000, -0.0005352700000000 ] - [ 0.0000761400000000, 0.0000998300000000, -0.0007420800000000 ] - [ 0.0009009600000000, -0.0003438200000000, -0.0015598700000000 ] - [ -0.0013446400000000, -0.0033442000000000, 0.0004341100000000 ] - [ -0.0003379500000000, 0.0001626400000000, 0.0010419500000000 ] - [ -0.0001675100000000, 0.0004338600000000, 0.0001086900000000 ] - [ 0.0001450100000000, 0.0001895800000000, 0.0004107100000000 ] - [ 0.0006191000000000, -0.0025009200000000, -0.0014807700000000 ] - [ -0.0677294000000000, 0.2634602000000000, -0.0949379300000000 ] - [ 0.0000200100000000, -0.0005375800000000, 0.0003456200000000 ] - [ -0.0000157200000000, 0.0001158200000000, 0.0001198200000000 ] - [ 0.0333885400000000, 0.0018661400000000, -0.0011844400000000 ] - [ -0.0008505300000000, -0.0005423400000000, -0.0015175600000000 ] - [ 0.0000756500000000, 0.0002378600000000, 0.0002640400000000 ] - [ -0.0000382900000000, -0.0042752800000000, -0.0024391300000000 ] - [ -0.0001543000000000, -0.0002885200000000, 0.0001279100000000 ] - [ -0.0005596900000000, -0.0000107300000000, 0.0001303400000000 ] - [ -0.0001977900000000, 0.0016288700000000, 0.0004395300000000 ] - [ 0.0001193800000000, -0.0000029900000000, 0.0005917800000000 ] - [ -0.0000755500000000, 0.0002303800000000, 0.0004991100000000 ] - [ -0.0000054800000000, -0.0000636600000000, 0.0004836400000000 ] - [ -0.0000734200000000, 0.0001234500000000, 0.0002080200000000 ] - [ -0.0096458700000000, 0.0042675300000000, 0.0299387200000000 ] - [ -0.0007790300000000, -0.0018783200000000, -0.0015229900000000 ] - [ 0.0002386300000000, 0.0000700200000000, -0.0003894600000000 ] - [ 0.0002321900000000, 0.0012403200000000, 0.0010492700000000 ] - [ 0.0010590900000000, -0.0002388100000000, 0.0027207100000000 ] - [ -0.0000128700000000, 0.0000087700000000, 0.0005047300000000 ] - [ -0.0001463200000000, 0.0001822000000000, 0.0005263700000000 ] - [ 0.0003148900000000, 0.0001689200000000, 0.0010377200000000 ] - [ -0.0048033700000000, -0.0043362400000000, 0.0023352300000000 ] - [ 0.0009107900000000, 0.0033615700000000, 0.0014479900000000 ] - [ 0.0010431300000000, -0.0008506500000000, -0.0015034000000000 ] - [ -0.0029543400000000, -0.0003704500000000, 0.0001845400000000 ] - [ -0.0002058300000000, -0.0018002200000000, 0.0007379300000000 ] - [ -0.0001984800000000, 0.0000818000000000, 0.0011527200000000 ] - [ 0.0018607600000000, -0.0029364800000000, -0.0010766700000000 ] - [ 0.0001556100000000, 0.0002580100000000, 0.0008546400000000 ] - [ 0.0013550200000000, -0.0035375500000000, 0.0003004200000000 ] - [ 0.0013983800000000, -0.0031649800000000, 0.0020429000000000 ] - [ -0.0000795200000000, 0.0008134600000000, 0.0000833200000000 ] - [ 0.0000791900000000, 0.0002153300000000, -0.0000131100000000 ] - [ 0.0003319000000000, -0.0045045600000000, -0.0006951500000000 ] - [ 0.0000982200000000, 0.0006222500000000, 0.0001107700000000 ] - [ 0.0032931000000000, -0.0026027700000000, 0.0014786600000000 ] - [ -0.0123242200000000, -0.0260212000000000, -0.0139773600000000 ] - [ 0.0000728000000000, -0.0003762000000000, 0.0001574800000000 ] - [ -0.0003895000000000, -0.0045714400000000, -0.0008976500000000 ] - [ -0.0000386300000000, -0.0001002600000000, -0.0002646200000000 ] - [ -0.0001125400000000, 0.0003403900000000, 0.0003702400000000 ] - [ 0.0030984000000000, 0.0058006700000000, -0.0012050100000000 ]- atom: 70 displacement: [ -0.0000185648863736, 0.0000000000000000, 0.0099999827672348 ] forces: - [ 0.0000458300000000, 0.0000453200000000, -0.0000137700000000 ] - [ -0.0002650900000000, -0.0002726000000000, -0.0001975700000000 ] - [ 0.0003368600000000, 0.0002306300000000, -0.0005286700000000 ] - [ 0.0014577100000000, -0.0012069200000000, -0.0008125300000000 ] - [ -0.0002313300000000, -0.0002083800000000, -0.0008273600000000 ] - [ -0.0002653700000000, 0.0003940800000000, -0.0003372300000000 ] - [ -0.0000064200000000, 0.0002711600000000, -0.0002883700000000 ] - [ -0.0023653000000000, -0.0015791600000000, 0.0011757000000000 ] - [ -0.0001969900000000, 0.0001849300000000, -0.0004270000000000 ] - [ 0.0000410200000000, 0.0000256200000000, -0.0000264100000000 ] - [ -0.0000092700000000, 0.0003965700000000, -0.0002888700000000 ] - [ 0.0000297400000000, -0.0000873500000000, -0.0002158400000000 ] - [ -0.0001541800000000, 0.0000071600000000, -0.0001431700000000 ] - [ 0.0001399000000000, 0.0001125400000000, -0.0004810700000000 ] - [ 0.0000404500000000, 0.0000320700000000, -0.0002762100000000 ] - [ -0.0003061500000000, 0.0004010500000000, -0.0002380200000000 ] - [ 0.0000456600000000, -0.0002240800000000, 0.0000319000000000 ] - [ -0.0000165300000000, -0.0002826600000000, 0.0003231400000000 ] - [ -0.0000721200000000, 0.0001046900000000, -0.0001243600000000 ] - [ 0.0000145800000000, 0.0002501000000000, -0.0001547900000000 ] - [ 0.0001106400000000, 0.0002011500000000, -0.0000177400000000 ] - [ 0.0005590600000000, 0.0006664000000000, 0.0003725900000000 ] - [ -0.0004037500000000, 0.0006352800000000, 0.0003346600000000 ] - [ -0.0000497100000000, 0.0002224600000000, -0.0002034300000000 ] - [ -0.0005625900000000, -0.0023368200000000, -0.0026211200000000 ] - [ -0.0000666700000000, -0.0000984200000000, 0.0003317400000000 ] - [ 0.0007672600000000, 0.0001972600000000, -0.0000189900000000 ] - [ -0.0007111600000000, 0.0001050700000000, 0.0002372900000000 ] - [ -0.0001005600000000, -0.0007691300000000, 0.0047865200000000 ] - [ -0.0000046400000000, 0.0005211500000000, 0.0001682300000000 ] - [ -0.0032489400000000, 0.0008864000000000, 0.0033252600000000 ] - [ -0.0002209700000000, 0.0002606100000000, 0.0012743800000000 ] - [ -0.0000021500000000, 0.0001334600000000, -0.0004405800000000 ] - [ 0.0002680300000000, -0.0004256900000000, -0.0001095800000000 ] - [ 0.0002011300000000, 0.0001965000000000, -0.0001329000000000 ] - [ -0.0000079100000000, -0.0000725900000000, -0.0002913400000000 ] - [ 0.0001176900000000, 0.0000554400000000, -0.0002379700000000 ] - [ -0.0000872700000000, 0.0000828200000000, -0.0003850600000000 ] - [ 0.0000212700000000, 0.0000070600000000, -0.0002070900000000 ] - [ 0.0001702500000000, 0.0001576200000000, 0.0000463900000000 ] - [ -0.0003686300000000, 0.0007195900000000, 0.0028182400000000 ] - [ -0.0000377100000000, 0.0001728800000000, -0.0003028300000000 ] - [ 0.0001127500000000, -0.0003284900000000, 0.0004221800000000 ] - [ 0.0012362000000000, -0.0005211000000000, 0.0034475500000000 ] - [ 0.0000841400000000, -0.0001003300000000, -0.0004183700000000 ] - [ -0.0003001500000000, -0.0003028400000000, -0.0003295000000000 ] - [ 0.0000086200000000, 0.0001696600000000, -0.0001761900000000 ] - [ 0.0001761000000000, 0.0000062600000000, -0.0005907200000000 ] - [ -0.0006182200000000, 0.0001196900000000, 0.0029848200000000 ] - [ 0.0023293300000000, -0.0013442300000000, -0.0072798500000000 ] - [ 0.0002207500000000, 0.0022076100000000, 0.0031244800000000 ] - [ -0.0005081400000000, 0.0004634800000000, -0.0005715100000000 ] - [ 0.0000633500000000, 0.0001078100000000, -0.0010250600000000 ] - [ -0.0002111100000000, -0.0011137400000000, -0.0012030000000000 ] - [ -0.0002589100000000, 0.0000243600000000, -0.0009704300000000 ] - [ 0.0311628900000000, -0.0764266600000000, 0.0851188100000000 ] - [ 0.0000198100000000, -0.0000049500000000, -0.0013179700000000 ] - [ 0.0000505800000000, 0.0023334300000000, 0.0032412700000000 ] - [ -0.0026408800000000, 0.0006577800000000, 0.0006990500000000 ] - [ 0.0003756700000000, -0.0001210300000000, 0.0026382600000000 ] - [ -0.0001338300000000, 0.0003508400000000, -0.0006752200000000 ] - [ 0.0003187500000000, 0.0002330500000000, -0.0006808400000000 ] - [ 0.0000144000000000, 0.0000696600000000, -0.0010414800000000 ] - [ 0.0011274900000000, -0.0001335100000000, 0.0002978100000000 ] - [ -0.0007654400000000, -0.0011706200000000, -0.0002800000000000 ] - [ -0.0005200300000000, 0.0001761000000000, 0.0018873500000000 ] - [ -0.0002318000000000, 0.0003417500000000, 0.0004010200000000 ] - [ 0.0001093200000000, 0.0003519200000000, 0.0003332500000000 ] - [ 0.0008040800000000, -0.0012417600000000, -0.0018503600000000 ] - [ -0.0258066000000000, 0.0964553400000000, -0.0841166500000000 ] - [ 0.0000448800000000, -0.0003369200000000, 0.0005628800000000 ] - [ -0.0000767300000000, 0.0001098100000000, 0.0003766300000000 ] - [ 0.0114673300000000, 0.0008439400000000, -0.0038158000000000 ] - [ 0.0000641700000000, 0.0011878000000000, -0.0006734000000000 ] - [ 0.0000962200000000, 0.0005173200000000, 0.0003598100000000 ] - [ 0.0002858500000000, 0.0006689700000000, -0.0001617500000000 ] - [ -0.0001607700000000, -0.0001006100000000, 0.0004199500000000 ] - [ -0.0003494700000000, -0.0001126000000000, 0.0000104000000000 ] - [ -0.0000012800000000, 0.0004815900000000, 0.0003354300000000 ] - [ 0.0001692200000000, -0.0002029400000000, 0.0007015900000000 ] - [ -0.0001664300000000, 0.0002217600000000, 0.0005016500000000 ] - [ 0.0000044200000000, -0.0003135000000000, 0.0004779400000000 ] - [ -0.0000998500000000, 0.0003658700000000, 0.0002833400000000 ] - [ 0.0010228400000000, -0.0110272900000000, 0.0108051400000000 ] - [ 0.0012018600000000, -0.0001626700000000, -0.0041801400000000 ] - [ 0.0005644000000000, 0.0000380300000000, 0.0000533800000000 ] - [ 0.0003087500000000, 0.0013633200000000, 0.0023788800000000 ] - [ -0.0003669000000000, -0.0002739800000000, -0.0006383800000000 ] - [ -0.0000363000000000, -0.0002571500000000, 0.0005265900000000 ] - [ -0.0001888700000000, -0.0000043500000000, 0.0006135900000000 ] - [ 0.0003995500000000, 0.0001675500000000, 0.0013645500000000 ] - [ -0.0042117100000000, -0.0051102600000000, 0.0008629500000000 ] - [ 0.0005444200000000, 0.0013967400000000, 0.0012731800000000 ] - [ -0.0000555800000000, 0.0009980200000000, -0.0004968900000000 ] - [ -0.0022932400000000, -0.0002284500000000, 0.0000694400000000 ] - [ -0.0000902000000000, -0.0007316300000000, 0.0004332900000000 ] - [ -0.0002699300000000, 0.0000874800000000, 0.0014438100000000 ] - [ -0.0010430800000000, -0.0001767300000000, -0.0041164100000000 ] - [ 0.0002859500000000, 0.0002633600000000, 0.0013637300000000 ] - [ 0.0006270700000000, -0.0012053500000000, -0.0002603800000000 ] - [ 0.0008397800000000, -0.0013641700000000, 0.0021968100000000 ] - [ -0.0001180000000000, 0.0003178300000000, 0.0002281800000000 ] - [ 0.0000877400000000, 0.0002215400000000, -0.0000947900000000 ] - [ -0.0001080300000000, -0.0011973400000000, -0.0002547600000000 ] - [ 0.0001332200000000, 0.0004944900000000, 0.0003461200000000 ] - [ 0.0035796100000000, -0.0045504400000000, 0.0003492800000000 ] - [ -0.0134272000000000, -0.0046866700000000, -0.0198574800000000 ] - [ -0.0001746300000000, -0.0001048300000000, 0.0005490200000000 ] - [ 0.0001749200000000, -0.0011549700000000, -0.0002997500000000 ] - [ -0.0001145600000000, 0.0004321500000000, 0.0000292500000000 ] - [ -0.0001000800000000, 0.0005204200000000, 0.0003131600000000 ] - [ 0.0007257900000000, 0.0012321000000000, -0.0013248900000000 ]- atom: 70 displacement: [ 0.0000185648863736, 0.0000000000000000, -0.0099999827672348 ] forces: - [ -0.0000231600000000, 0.0002050800000000, 0.0004513700000000 ] - [ -0.0002574100000000, -0.0003218100000000, 0.0000625200000000 ] - [ 0.0001848200000000, 0.0003627200000000, 0.0006601100000000 ] - [ -0.0014721100000000, 0.0014506800000000, 0.0003792100000000 ] - [ 0.0002090900000000, -0.0000420800000000, 0.0003881000000000 ] - [ -0.0002566200000000, 0.0001995100000000, 0.0002031300000000 ] - [ 0.0000288600000000, -0.0005189500000000, 0.0007238400000000 ] - [ 0.0029137000000000, 0.0009932100000000, -0.0009991900000000 ] - [ 0.0002324500000000, 0.0000378800000000, 0.0004381400000000 ] - [ 0.0000775000000000, 0.0002536900000000, 0.0002149100000000 ] - [ 0.0000087900000000, 0.0001673000000000, 0.0002100500000000 ] - [ -0.0000257300000000, 0.0000541400000000, 0.0001882900000000 ] - [ -0.0001041700000000, 0.0000445700000000, 0.0002613000000000 ] - [ 0.0000360300000000, -0.0003060100000000, 0.0006480800000000 ] - [ 0.0000807500000000, 0.0001356700000000, 0.0001128500000000 ] - [ 0.0001299700000000, -0.0002041600000000, 0.0000679900000000 ] - [ 0.0000769900000000, 0.0000555200000000, -0.0001967500000000 ] - [ -0.0000200400000000, 0.0000635800000000, -0.0003309100000000 ] - [ -0.0000508700000000, 0.0000613000000000, 0.0002873400000000 ] - [ -0.0000140300000000, 0.0003129800000000, 0.0002330400000000 ] - [ -0.0000869800000000, 0.0001311800000000, 0.0004845600000000 ] - [ -0.0006717000000000, -0.0008253200000000, -0.0002086200000000 ] - [ 0.0003939300000000, -0.0005966900000000, -0.0003038300000000 ] - [ 0.0000155100000000, 0.0001513300000000, 0.0002127500000000 ] - [ 0.0005612900000000, 0.0023563300000000, 0.0025394400000000 ] - [ -0.0000516000000000, -0.0001854500000000, -0.0005210800000000 ] - [ -0.0007989400000000, -0.0005700500000000, 0.0000280100000000 ] - [ 0.0007351500000000, -0.0004349300000000, 0.0002276300000000 ] - [ 0.0002607200000000, 0.0008351700000000, -0.0040690000000000 ] - [ 0.0000039000000000, -0.0010795400000000, -0.0002521000000000 ] - [ 0.0030112000000000, -0.0009534500000000, -0.0031928800000000 ] - [ 0.0003155400000000, -0.0003434700000000, -0.0010743700000000 ] - [ -0.0000206500000000, 0.0001979300000000, -0.0000278500000000 ] - [ -0.0001493800000000, 0.0001402900000000, 0.0003054900000000 ] - [ -0.0001647100000000, -0.0004128900000000, 0.0001455100000000 ] - [ -0.0000898800000000, 0.0001558400000000, 0.0001009700000000 ] - [ 0.0001400200000000, -0.0000020200000000, 0.0001172600000000 ] - [ -0.0000309000000000, 0.0001998500000000, 0.0001861300000000 ] - [ -0.0000233600000000, -0.0000402500000000, 0.0002338900000000 ] - [ 0.0000866100000000, -0.0002067000000000, -0.0001667300000000 ] - [ 0.0003451200000000, -0.0010599300000000, -0.0033058300000000 ] - [ 0.0000014100000000, 0.0000462700000000, 0.0002888000000000 ] - [ -0.0000797200000000, -0.0000486600000000, -0.0004330200000000 ] - [ -0.0012249400000000, -0.0000507800000000, -0.0033724200000000 ] - [ 0.0000134400000000, 0.0001825200000000, 0.0006069700000000 ] - [ 0.0002037000000000, 0.0002211900000000, 0.0001447200000000 ] - [ 0.0000252600000000, 0.0002036000000000, 0.0001653600000000 ] - [ -0.0003497000000000, -0.0002015500000000, 0.0004222500000000 ] - [ 0.0010718500000000, -0.0003414300000000, -0.0027145100000000 ] - [ -0.0017547500000000, 0.0011341800000000, 0.0076343700000000 ] - [ -0.0007950600000000, -0.0024339300000000, -0.0034626100000000 ] - [ 0.0003676800000000, -0.0002705000000000, 0.0010338900000000 ] - [ 0.0001233700000000, 0.0003080400000000, 0.0007568000000000 ] - [ 0.0007771900000000, 0.0013289300000000, 0.0015314200000000 ] - [ -0.0003140500000000, 0.0002003900000000, 0.0006301100000000 ] - [ -0.0321214000000000, 0.0773684300000000, -0.0851304000000000 ] - [ -0.0004632900000000, 0.0002365900000000, 0.0010435400000000 ] - [ 0.0000885900000000, -0.0025259700000000, -0.0037127800000000 ] - [ 0.0027591600000000, -0.0010806300000000, -0.0009790200000000 ] - [ -0.0005662800000000, -0.0002795700000000, -0.0023744500000000 ] - [ -0.0000524900000000, 0.0000662600000000, 0.0009375800000000 ] - [ 0.0001259400000000, 0.0000005300000000, 0.0009480400000000 ] - [ 0.0001246500000000, 0.0001229000000000, 0.0005721300000000 ] - [ -0.0012680400000000, -0.0000591200000000, 0.0001582100000000 ] - [ 0.0005600000000000, 0.0012176500000000, 0.0002127200000000 ] - [ 0.0003859700000000, 0.0000274800000000, -0.0020672500000000 ] - [ 0.0000285000000000, -0.0003902100000000, -0.0004651700000000 ] - [ -0.0001105300000000, -0.0001355400000000, -0.0004933300000000 ] - [ -0.0008380200000000, 0.0007076100000000, 0.0020181300000000 ] - [ 0.0262465200000000, -0.0977882300000000, 0.0830038000000000 ] - [ -0.0002768200000000, 0.0003648300000000, -0.0004173100000000 ] - [ -0.0000303900000000, 0.0000848000000000, 0.0000832900000000 ] - [ -0.0114889700000000, -0.0013208200000000, 0.0043492100000000 ] - [ -0.0000692600000000, -0.0014063300000000, 0.0005107600000000 ] - [ -0.0000139100000000, -0.0002842000000000, -0.0006223600000000 ] - [ -0.0001351100000000, -0.0011289600000000, -0.0003657500000000 ] - [ 0.0002008000000000, 0.0006319000000000, -0.0005120500000000 ] - [ 0.0002411900000000, -0.0000803700000000, 0.0004484900000000 ] - [ 0.0002028800000000, -0.0004263100000000, -0.0002662000000000 ] - [ -0.0001673400000000, 0.0004160000000000, -0.0005372300000000 ] - [ 0.0000116400000000, 0.0002199300000000, 0.0000232400000000 ] - [ 0.0000535500000000, 0.0004071500000000, -0.0002796100000000 ] - [ 0.0000414400000000, -0.0002678900000000, -0.0004784100000000 ] - [ -0.0012100400000000, 0.0109952200000000, -0.0109846000000000 ] - [ -0.0010682700000000, -0.0000392100000000, 0.0043700000000000 ] - [ -0.0004529900000000, 0.0001559800000000, -0.0005118800000000 ] - [ -0.0000759900000000, -0.0013253800000000, -0.0025015800000000 ] - [ 0.0002495700000000, -0.0001637000000000, 0.0005928200000000 ] - [ -0.0000452500000000, 0.0004849000000000, -0.0002591500000000 ] - [ 0.0001479300000000, 0.0005305500000000, -0.0004325300000000 ] - [ -0.0002707100000000, 0.0002705500000000, -0.0012933500000000 ] - [ 0.0039729200000000, 0.0050704000000000, -0.0007210200000000 ] - [ -0.0005483200000000, -0.0015593000000000, -0.0010817200000000 ] - [ 0.0001009400000000, -0.0015344500000000, 0.0003173300000000 ] - [ 0.0023972700000000, 0.0000334600000000, -0.0005258600000000 ] - [ 0.0000489600000000, 0.0001930900000000, -0.0003341100000000 ] - [ 0.0004005200000000, 0.0001159800000000, -0.0012485800000000 ] - [ 0.0011720500000000, -0.0002649300000000, 0.0041826700000000 ] - [ -0.0004129700000000, 0.0001754300000000, -0.0014246300000000 ] - [ -0.0006221500000000, 0.0010384400000000, 0.0000683800000000 ] - [ -0.0006120200000000, 0.0013326100000000, -0.0023457500000000 ] - [ 0.0000771100000000, 0.0002133400000000, -0.0001329300000000 ] - [ 0.0000666600000000, 0.0002198900000000, -0.0004276200000000 ] - [ 0.0001665100000000, 0.0010904700000000, 0.0004529900000000 ] - [ -0.0001317000000000, -0.0003282900000000, -0.0005345500000000 ] - [ -0.0035329100000000, 0.0040107700000000, -0.0004463300000000 ] - [ 0.0135167800000000, 0.0044403100000000, 0.0200390700000000 ] - [ 0.0003763500000000, 0.0000569300000000, -0.0004792300000000 ] - [ -0.0002585000000000, 0.0009117000000000, 0.0005657400000000 ] - [ 0.0001119500000000, -0.0002619900000000, 0.0001596300000000 ] - [ 0.0001400800000000, 0.0000092400000000, -0.0004904800000000 ] - [ -0.0007741600000000, -0.0013101600000000, 0.0011245400000000 ]- atom: 71 displacement: [ 0.0099999995909515, 0.0000000000000000, -0.0000028602394792 ] forces: - [ 0.0017874200000000, 0.0001620100000000, 0.0001769600000000 ] - [ -0.0008804600000000, 0.0000656200000000, 0.0014749500000000 ] - [ -0.0002823000000000, 0.0005409500000000, 0.0001418500000000 ] - [ 0.0000430400000000, 0.0001291400000000, -0.0003392900000000 ] - [ 0.0008136800000000, 0.0008207000000000, -0.0001274500000000 ] - [ -0.0004700500000000, 0.0003290500000000, -0.0003665400000000 ] - [ 0.0001131800000000, -0.0001291200000000, -0.0000500500000000 ] - [ 0.0002119200000000, -0.0002873900000000, -0.0000353400000000 ] - [ -0.0000201100000000, 0.0001623700000000, -0.0001108000000000 ] - [ 0.0000179900000000, 0.0000905300000000, -0.0000153500000000 ] - [ 0.0001814000000000, 0.0005455800000000, -0.0000479500000000 ] - [ 0.0001724600000000, -0.0003254400000000, 0.0001869600000000 ] - [ -0.0006360300000000, -0.0001146800000000, 0.0002209400000000 ] - [ 0.0085403800000000, -0.0048223300000000, 0.0001768700000000 ] - [ -0.0000717900000000, -0.0000828200000000, -0.0001580900000000 ] - [ 0.0027778900000000, 0.0018112400000000, -0.0034986600000000 ] - [ 0.0000269000000000, -0.0001012400000000, 0.0000434100000000 ] - [ -0.0000293200000000, -0.0001157800000000, -0.0001020500000000 ] - [ -0.0003019400000000, 0.0002845100000000, 0.0000365800000000 ] - [ 0.0028786000000000, -0.0000023900000000, 0.0013196800000000 ] - [ 0.0001320500000000, 0.0004359200000000, 0.0001960500000000 ] - [ -0.0000892800000000, -0.0000744000000000, 0.0000169100000000 ] - [ 0.0000244800000000, 0.0000200500000000, -0.0000562600000000 ] - [ -0.0001575400000000, 0.0003168000000000, 0.0000476400000000 ] - [ 0.0001402800000000, -0.0002138300000000, -0.0003440900000000 ] - [ -0.0000687200000000, -0.0001345500000000, -0.0001864200000000 ] - [ -0.0001026000000000, -0.0001797300000000, -0.0000231900000000 ] - [ 0.0002237300000000, -0.0001334500000000, 0.0001945700000000 ] - [ 0.0000961800000000, 0.0001224200000000, -0.0000122100000000 ] - [ -0.0000435400000000, -0.0001842900000000, -0.0003724500000000 ] - [ -0.0001709000000000, -0.0000444100000000, -0.0000040000000000 ] - [ 0.0000599200000000, -0.0000711800000000, 0.0000044100000000 ] - [ -0.0018149500000000, -0.0014954600000000, 0.0041733200000000 ] - [ -0.0004908500000000, -0.0004567900000000, 0.0003268700000000 ] - [ -0.0006313900000000, 0.0000090600000000, 0.0000403200000000 ] - [ 0.0000056300000000, -0.0000886600000000, -0.0003400300000000 ] - [ -0.0001142700000000, 0.0001862800000000, -0.0001571200000000 ] - [ -0.0005797700000000, 0.0009162300000000, 0.0000867700000000 ] - [ 0.0001356300000000, 0.0006631900000000, -0.0004759600000000 ] - [ 0.0001304800000000, -0.0000155000000000, 0.0000444700000000 ] - [ -0.0000023900000000, -0.0001639200000000, -0.0003396600000000 ] - [ -0.0026661500000000, -0.0026406400000000, -0.0001316300000000 ] - [ -0.0000050800000000, -0.0002031800000000, -0.0000554600000000 ] - [ 0.0000358600000000, -0.0002793500000000, -0.0000107600000000 ] - [ 0.0010627000000000, -0.0001161100000000, 0.0002889400000000 ] - [ 0.0000969600000000, 0.0001882700000000, 0.0010393800000000 ] - [ -0.0003770800000000, -0.0000450000000000, -0.0006098900000000 ] - [ -0.0000538400000000, 0.0000232400000000, -0.0003968200000000 ] - [ 0.0007343000000000, -0.0003698200000000, -0.0003037300000000 ] - [ -0.0012605400000000, 0.0013049700000000, -0.0005522800000000 ] - [ -0.0002560100000000, -0.0000938000000000, -0.0005497800000000 ] - [ -0.0002144400000000, 0.0001003700000000, 0.0001667400000000 ] - [ 0.0013437200000000, -0.0001282900000000, -0.0002421000000000 ] - [ 0.0001588900000000, 0.0001635800000000, 0.0008155000000000 ] - [ 0.1073873100000000, -0.0906807200000000, 0.0582613100000000 ] - [ 0.0000198300000000, -0.0000468100000000, -0.0006141600000000 ] - [ 0.0012094600000000, 0.0030269500000000, 0.0005143800000000 ] - [ -0.0000130000000000, -0.0000831600000000, -0.0006411000000000 ] - [ 0.0002683900000000, -0.0002409000000000, 0.0000828700000000 ] - [ -0.0003319300000000, -0.0001223900000000, -0.0004776400000000 ] - [ 0.0002130500000000, 0.0001437900000000, 0.0001857200000000 ] - [ 0.0001870700000000, 0.0016445400000000, -0.0033107500000000 ] - [ -0.0110676200000000, -0.0038835700000000, 0.0016713200000000 ] - [ -0.0011403500000000, -0.0003980800000000, 0.0006283400000000 ] - [ -0.0001270100000000, -0.0000788100000000, 0.0001662700000000 ] - [ 0.0001150100000000, -0.0001068400000000, -0.0013807600000000 ] - [ 0.0019034900000000, -0.0006513500000000, -0.0011230500000000 ] - [ 0.0004199800000000, 0.0008225700000000, 0.0010259100000000 ] - [ 0.0000075000000000, -0.0002769600000000, 0.0001406500000000 ] - [ 0.0000477500000000, -0.0002528700000000, 0.0000309000000000 ] - [ -0.1137498700000000, 0.1158157500000000, -0.0601567400000000 ] - [ 0.0203684600000000, -0.0076238700000000, 0.0048235600000000 ] - [ -0.0004141400000000, -0.0002240800000000, 0.0003022300000000 ] - [ -0.0003583200000000, 0.0000856000000000, -0.0003195800000000 ] - [ 0.0014950100000000, -0.0045898000000000, -0.0042257800000000 ] - [ -0.0000927700000000, -0.0003477000000000, 0.0005689700000000 ] - [ 0.0067843500000000, 0.0048504900000000, -0.0021461400000000 ] - [ -0.0000415400000000, -0.0000917500000000, 0.0003413400000000 ] - [ 0.0002873300000000, -0.0004719900000000, -0.0002601600000000 ] - [ 0.0003627500000000, -0.0011937300000000, 0.0008550400000000 ] - [ -0.0023825400000000, -0.0000353400000000, 0.0001724700000000 ] - [ 0.0000508200000000, -0.0001732200000000, 0.0001427200000000 ] - [ 0.0000570200000000, 0.0012330500000000, 0.0004656600000000 ] - [ -0.0003006600000000, -0.0001163900000000, 0.0008375900000000 ] - [ -0.0000882600000000, -0.0000846500000000, 0.0006319900000000 ] - [ 0.0003483500000000, 0.0000740900000000, -0.0001907200000000 ] - [ -0.0000724200000000, -0.0002929200000000, -0.0000753800000000 ] - [ -0.0002067500000000, -0.0002380100000000, -0.0005140900000000 ] - [ 0.0004151200000000, -0.0011783200000000, 0.0008621100000000 ] - [ 0.0001515200000000, -0.0003412100000000, 0.0003023500000000 ] - [ 0.0011784800000000, 0.0003152400000000, 0.0004961400000000 ] - [ -0.0000902100000000, 0.0000779500000000, 0.0003147700000000 ] - [ -0.0010890200000000, -0.0003484200000000, -0.0009345900000000 ] - [ 0.0004906800000000, -0.0003756700000000, 0.0001243400000000 ] - [ 0.0021677100000000, 0.0000194300000000, -0.0003924000000000 ] - [ 0.0006476200000000, 0.0012390000000000, -0.0010812600000000 ] - [ -0.0087110400000000, 0.0046165000000000, 0.0129527000000000 ] - [ 0.0002163200000000, -0.0002027200000000, 0.0006235400000000 ] - [ -0.0000049800000000, 0.0002123900000000, 0.0001023000000000 ] - [ 0.0000091700000000, -0.0001779700000000, 0.0000992800000000 ] - [ 0.0009301400000000, -0.0037891500000000, 0.0027433700000000 ] - [ 0.0000265600000000, 0.0001454600000000, 0.0001836100000000 ] - [ -0.0008566900000000, 0.0003723300000000, -0.0001870700000000 ] - [ 0.0002921100000000, -0.0000829500000000, 0.0001523000000000 ] - [ -0.0168884200000000, -0.0128545700000000, -0.0150228400000000 ] - [ -0.0000110900000000, -0.0001826500000000, 0.0001682100000000 ] - [ 0.0000627400000000, -0.0000379900000000, 0.0002411900000000 ] - [ 0.0001318700000000, 0.0000533000000000, 0.0001862700000000 ] - [ -0.0003518700000000, 0.0000008300000000, 0.0003216500000000 ] - [ -0.0000834000000000, 0.0002692000000000, 0.0001255200000000 ] - [ 0.0000771000000000, 0.0005699800000000, 0.0000613000000000 ] - [ -0.0000105300000000, 0.0000105700000000, -0.0000606600000000 ]- atom: 71 displacement: [ -0.0099999995909515, 0.0000000000000000, 0.0000028602394792 ] forces: - [ -0.0016844900000000, 0.0001405900000000, 0.0003300100000000 ] - [ 0.0003603400000000, -0.0006960200000000, -0.0016418800000000 ] - [ 0.0008061100000000, 0.0000546000000000, -0.0000058500000000 ] - [ -0.0000647500000000, 0.0001243800000000, -0.0000979000000000 ] - [ -0.0008477400000000, -0.0010748600000000, -0.0002936100000000 ] - [ -0.0000530500000000, 0.0002614400000000, 0.0002334200000000 ] - [ -0.0000903300000000, -0.0001240400000000, 0.0004814800000000 ] - [ 0.0003112000000000, -0.0003040300000000, 0.0001627200000000 ] - [ 0.0000616300000000, 0.0000551400000000, 0.0001258300000000 ] - [ 0.0001014900000000, 0.0001961000000000, 0.0002005000000000 ] - [ -0.0001812500000000, 0.0000189200000000, -0.0000266600000000 ] - [ -0.0001727600000000, 0.0002892100000000, -0.0002128300000000 ] - [ 0.0003768100000000, 0.0001677600000000, -0.0000985300000000 ] - [ -0.0079023800000000, 0.0042455700000000, 0.0000140600000000 ] - [ 0.0001896400000000, 0.0002529300000000, -0.0000088400000000 ] - [ -0.0029471800000000, -0.0016184800000000, 0.0033338000000000 ] - [ 0.0000943100000000, -0.0000604100000000, -0.0002185000000000 ] - [ -0.0000090200000000, -0.0001056700000000, 0.0000843100000000 ] - [ 0.0001806300000000, -0.0001235800000000, 0.0001362100000000 ] - [ -0.0028755600000000, 0.0005521800000000, -0.0012517900000000 ] - [ -0.0001094500000000, -0.0001007600000000, 0.0002711900000000 ] - [ -0.0000327700000000, -0.0000842200000000, 0.0001348300000000 ] - [ -0.0000220100000000, 0.0000247400000000, 0.0000710400000000 ] - [ 0.0001247900000000, 0.0000579400000000, -0.0000365600000000 ] - [ -0.0001394100000000, 0.0002315400000000, 0.0003156300000000 ] - [ -0.0000487300000000, -0.0001476000000000, -0.0000039000000000 ] - [ 0.0000713600000000, -0.0001844700000000, 0.0000296700000000 ] - [ -0.0002048300000000, -0.0001892500000000, 0.0002716600000000 ] - [ 0.0000793800000000, 0.0000712900000000, 0.0001779000000000 ] - [ 0.0000412900000000, -0.0003571300000000, 0.0003012700000000 ] - [ -0.0000875200000000, -0.0000145900000000, 0.0001149600000000 ] - [ 0.0000363700000000, -0.0000099600000000, 0.0001847500000000 ] - [ 0.0018693300000000, 0.0018407800000000, -0.0046843400000000 ] - [ 0.0006135700000000, 0.0001626500000000, -0.0001403100000000 ] - [ 0.0006719600000000, -0.0002142700000000, -0.0000292700000000 ] - [ -0.0001030300000000, 0.0001742600000000, 0.0001465600000000 ] - [ 0.0003679600000000, -0.0001362900000000, 0.0000366000000000 ] - [ 0.0004539700000000, -0.0006355000000000, -0.0002714000000000 ] - [ -0.0001301900000000, -0.0006991600000000, 0.0005063200000000 ] - [ 0.0001274000000000, -0.0000185000000000, -0.0001748800000000 ] - [ -0.0000180600000000, -0.0001739300000000, -0.0001439200000000 ] - [ 0.0026074900000000, 0.0028595900000000, 0.0001274200000000 ] - [ 0.0000378200000000, -0.0001726800000000, 0.0000388400000000 ] - [ -0.0000332300000000, -0.0002895900000000, 0.0000772400000000 ] - [ -0.0009580400000000, 0.0001808800000000, -0.0001008700000000 ] - [ -0.0001993200000000, -0.0002666700000000, -0.0012293300000000 ] - [ 0.0004071900000000, 0.0004214100000000, 0.0006085300000000 ] - [ -0.0001237400000000, -0.0002190700000000, 0.0002255400000000 ] - [ -0.0003498500000000, 0.0001194900000000, 0.0004866800000000 ] - [ 0.0018263200000000, -0.0015372000000000, 0.0008763900000000 ] - [ -0.0003043700000000, -0.0001258700000000, 0.0001914500000000 ] - [ 0.0000800900000000, 0.0000953700000000, 0.0003035200000000 ] - [ -0.0011621300000000, 0.0005510400000000, -0.0000143400000000 ] - [ 0.0004078500000000, 0.0000651100000000, -0.0004750300000000 ] - [ -0.1084565800000000, 0.0933659300000000, -0.0599850400000000 ] - [ -0.0004610200000000, -0.0001821800000000, 0.0003469700000000 ] - [ -0.0016469300000000, -0.0027943100000000, -0.0007736500000000 ] - [ 0.0001450200000000, -0.0001053500000000, 0.0001568400000000 ] - [ -0.0000928900000000, -0.0001794800000000, -0.0003460500000000 ] - [ 0.0002119600000000, -0.0003177800000000, 0.0006502700000000 ] - [ -0.0003758300000000, 0.0002707800000000, 0.0000954300000000 ] - [ 0.0002844600000000, -0.0014152300000000, 0.0035246000000000 ] - [ 0.0112300300000000, 0.0041073400000000, -0.0020526500000000 ] - [ 0.0010450600000000, 0.0002291600000000, -0.0002129400000000 ] - [ -0.0000743800000000, 0.0001312700000000, -0.0002405900000000 ] - [ -0.0002443200000000, 0.0003138400000000, 0.0011790700000000 ] - [ -0.0021186200000000, 0.0005862700000000, 0.0009969300000000 ] - [ -0.0004067800000000, -0.0005982700000000, -0.0011751800000000 ] - [ -0.0000408200000000, -0.0002599600000000, 0.0000289300000000 ] - [ 0.0000338900000000, 0.0000284400000000, -0.0003070000000000 ] - [ 0.1133030500000000, -0.1179763100000000, 0.0615765300000000 ] - [ -0.0204976600000000, 0.0079915500000000, -0.0045520100000000 ] - [ 0.0002633100000000, -0.0002215000000000, 0.0002177300000000 ] - [ 0.0004982300000000, -0.0003463900000000, 0.0002933400000000 ] - [ -0.0014155300000000, 0.0047977200000000, 0.0039394900000000 ] - [ 0.0002437700000000, -0.0000954200000000, -0.0010606000000000 ] - [ -0.0067322000000000, -0.0043116500000000, 0.0019966000000000 ] - [ -0.0000670800000000, -0.0001053300000000, 0.0001108300000000 ] - [ -0.0001024600000000, 0.0006279000000000, 0.0003497800000000 ] - [ -0.0003689700000000, 0.0014129600000000, -0.0007034500000000 ] - [ 0.0022275000000000, 0.0004794300000000, 0.0003460000000000 ] - [ 0.0000033500000000, 0.0002605100000000, 0.0000612400000000 ] - [ -0.0001124000000000, -0.0011510800000000, -0.0006813500000000 ] - [ 0.0001668700000000, -0.0000917600000000, -0.0010217200000000 ] - [ 0.0002257700000000, -0.0001165200000000, -0.0004179100000000 ] - [ -0.0002419400000000, 0.0001232400000000, -0.0002652900000000 ] - [ 0.0003079600000000, 0.0003290200000000, -0.0000606600000000 ] - [ 0.0000785100000000, -0.0002063300000000, 0.0004428800000000 ] - [ -0.0004979800000000, 0.0013878900000000, -0.0005785400000000 ] - [ -0.0001837700000000, 0.0008738100000000, -0.0001343800000000 ] - [ -0.0010502900000000, 0.0001263200000000, -0.0004644500000000 ] - [ -0.0001454700000000, -0.0001137800000000, -0.0001788700000000 ] - [ 0.0010908600000000, 0.0002115100000000, 0.0011342300000000 ] - [ -0.0005893400000000, -0.0001944700000000, -0.0001642700000000 ] - [ -0.0020517800000000, -0.0002188900000000, -0.0000640000000000 ] - [ -0.0007283200000000, -0.0019318900000000, 0.0012259900000000 ] - [ 0.0088553900000000, -0.0044773400000000, -0.0126833300000000 ] - [ -0.0000899800000000, -0.0002313900000000, -0.0005367300000000 ] - [ -0.0001248900000000, 0.0002281400000000, -0.0001776600000000 ] - [ -0.0000081900000000, 0.0000157200000000, -0.0002956700000000 ] - [ -0.0007007600000000, 0.0037513400000000, -0.0028822200000000 ] - [ -0.0000700400000000, 0.0003954700000000, -0.0000832600000000 ] - [ 0.0009779400000000, 0.0000740100000000, -0.0003310100000000 ] - [ -0.0003132000000000, 0.0000419900000000, 0.0001322600000000 ] - [ 0.0169653000000000, 0.0130155500000000, 0.0149326800000000 ] - [ 0.0000560600000000, -0.0003564600000000, -0.0002705400000000 ] - [ -0.0000679000000000, -0.0001807100000000, -0.0000880700000000 ] - [ 0.0000695800000000, -0.0001110700000000, -0.0001106400000000 ] - [ 0.0003477700000000, -0.0001820800000000, 0.0000234800000000 ] - [ 0.0000836400000000, -0.0001120900000000, 0.0000727300000000 ] - [ -0.0000447000000000, -0.0000360200000000, -0.0002304400000000 ] - [ -0.0000434000000000, -0.0000872100000000, -0.0001444700000000 ]- atom: 71 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0002440400000000, 0.0039772700000000, -0.0006066000000000 ] - [ -0.0006996100000000, 0.0003440700000000, -0.0007801900000000 ] - [ 0.0004479800000000, -0.0001543300000000, -0.0001820900000000 ] - [ -0.0000492400000000, 0.0001252300000000, 0.0000949500000000 ] - [ -0.0006054300000000, -0.0054054300000000, -0.0005572400000000 ] - [ -0.0000297200000000, 0.0002235500000000, 0.0006021600000000 ] - [ -0.0001170000000000, -0.0001128000000000, 0.0009218700000000 ] - [ 0.0002865300000000, -0.0003252500000000, 0.0003421200000000 ] - [ 0.0000467700000000, -0.0001065300000000, 0.0003625800000000 ] - [ 0.0000968800000000, 0.0003634000000000, 0.0004055500000000 ] - [ -0.0002548900000000, -0.0004282200000000, 0.0000165100000000 ] - [ -0.0001682300000000, 0.0007671100000000, -0.0002289800000000 ] - [ 0.0001270000000000, 0.0008591900000000, -0.0000464500000000 ] - [ -0.0019798200000000, 0.0054060300000000, -0.0000921800000000 ] - [ 0.0001992900000000, 0.0006787100000000, -0.0001964100000000 ] - [ 0.0005268000000000, 0.0037714300000000, -0.0016232600000000 ] - [ 0.0001204000000000, -0.0003194900000000, -0.0000331800000000 ] - [ -0.0000084600000000, -0.0002032500000000, 0.0002391000000000 ] - [ 0.0000657500000000, -0.0006625200000000, 0.0002068600000000 ] - [ -0.0006872500000000, 0.0016917100000000, -0.0054250000000000 ] - [ -0.0000827400000000, -0.0004286000000000, 0.0002333100000000 ] - [ -0.0000464100000000, 0.0000337000000000, 0.0001997200000000 ] - [ -0.0000094100000000, 0.0001168100000000, 0.0001904000000000 ] - [ 0.0000561100000000, -0.0002773700000000, -0.0001693700000000 ] - [ -0.0000665200000000, -0.0002457300000000, -0.0000453400000000 ] - [ -0.0000460700000000, -0.0000581600000000, 0.0001326200000000 ] - [ 0.0000052700000000, -0.0000712900000000, 0.0001649800000000 ] - [ -0.0000511600000000, -0.0003600200000000, 0.0007815000000000 ] - [ 0.0000772500000000, -0.0000040500000000, 0.0003239900000000 ] - [ 0.0001691900000000, 0.0000124700000000, 0.0002274700000000 ] - [ -0.0001029300000000, -0.0001539500000000, 0.0001770700000000 ] - [ 0.0000352600000000, 0.0000753300000000, 0.0003286900000000 ] - [ 0.0007603800000000, 0.0037543800000000, -0.0019646200000000 ] - [ 0.0000469000000000, -0.0007457100000000, -0.0005509800000000 ] - [ 0.0000928500000000, 0.0005684600000000, -0.0003653800000000 ] - [ -0.0000971300000000, 0.0003399200000000, 0.0003548900000000 ] - [ 0.0005349500000000, -0.0006549000000000, 0.0001082100000000 ] - [ 0.0010575200000000, -0.0015486700000000, -0.0006593800000000 ] - [ -0.0004236800000000, -0.0017347300000000, 0.0009869500000000 ] - [ 0.0000456600000000, 0.0001834900000000, 0.0001054300000000 ] - [ -0.0000040500000000, -0.0002634000000000, -0.0000948900000000 ] - [ -0.0066450500000000, 0.0011804200000000, -0.0004961000000000 ] - [ 0.0000113900000000, -0.0002551900000000, 0.0000639200000000 ] - [ -0.0000148900000000, -0.0004031100000000, 0.0001443800000000 ] - [ -0.0012155600000000, -0.0015983200000000, -0.0000918000000000 ] - [ 0.0003297300000000, -0.0013701600000000, -0.0019003400000000 ] - [ -0.0000384900000000, 0.0014301800000000, -0.0001008500000000 ] - [ -0.0001039700000000, -0.0003939100000000, 0.0005494200000000 ] - [ 0.0003241600000000, 0.0011076700000000, 0.0005837400000000 ] - [ 0.0007176700000000, -0.0034900400000000, 0.0009793500000000 ] - [ -0.0003428500000000, -0.0000962400000000, 0.0004518300000000 ] - [ -0.0000981500000000, 0.0000213300000000, -0.0003517700000000 ] - [ -0.0004212500000000, -0.0023435700000000, -0.0010351800000000 ] - [ 0.0003873900000000, 0.0000801100000000, -0.0009329900000000 ] - [ -0.0961222200000000, 0.1998716700000000, -0.0859817800000000 ] - [ -0.0004284300000000, -0.0003764300000000, 0.0009237800000000 ] - [ -0.0010450700000000, -0.0039236800000000, -0.0014681800000000 ] - [ 0.0001037700000000, -0.0001271500000000, 0.0002959300000000 ] - [ 0.0001326100000000, -0.0004877200000000, 0.0008063100000000 ] - [ -0.0000509400000000, -0.0001364500000000, 0.0004736200000000 ] - [ -0.0012517600000000, -0.0000979700000000, 0.0014278900000000 ] - [ -0.0025105900000000, -0.0021464200000000, 0.0081211400000000 ] - [ 0.0102220000000000, 0.0001293200000000, 0.0001715300000000 ] - [ 0.0002181500000000, -0.0023915600000000, 0.0009023000000000 ] - [ -0.0000218900000000, 0.0000835700000000, -0.0004378100000000 ] - [ -0.0003669300000000, 0.0004387700000000, 0.0020016700000000 ] - [ -0.0005430100000000, 0.0019285800000000, 0.0012462200000000 ] - [ -0.0006977800000000, -0.0018097200000000, -0.0016705700000000 ] - [ 0.0001376900000000, -0.0005740500000000, -0.0002823800000000 ] - [ -0.0000218900000000, 0.0004383000000000, -0.0004874800000000 ] - [ 0.1192889700000000, -0.2274858500000000, 0.1034337700000000 ] - [ -0.0302802700000000, -0.0094967300000000, 0.0063603400000000 ] - [ -0.0000239800000000, -0.0001957300000000, 0.0001136800000000 ] - [ 0.0001815600000000, -0.0003133700000000, 0.0005626100000000 ] - [ -0.0027943800000000, 0.0044759700000000, 0.0049583300000000 ] - [ -0.0001221100000000, -0.0002233100000000, -0.0000408700000000 ] - [ -0.0044819700000000, -0.0043974600000000, 0.0015025200000000 ] - [ 0.0000163000000000, -0.0000899100000000, -0.0000342300000000 ] - [ -0.0004478000000000, 0.0026549200000000, 0.0014724700000000 ] - [ -0.0004979000000000, 0.0024669000000000, -0.0008478100000000 ] - [ 0.0011775200000000, 0.0009169900000000, 0.0010126000000000 ] - [ 0.0002039600000000, 0.0014138800000000, -0.0002852500000000 ] - [ 0.0015225800000000, 0.0015682300000000, 0.0024731100000000 ] - [ 0.0004039600000000, -0.0001050000000000, -0.0019367000000000 ] - [ 0.0002813000000000, -0.0001664900000000, -0.0008663100000000 ] - [ -0.0000938000000000, 0.0001659000000000, -0.0003674600000000 ] - [ 0.0004203000000000, 0.0006805500000000, -0.0001491100000000 ] - [ -0.0005103100000000, -0.0002519800000000, -0.0016202400000000 ] - [ -0.0001855100000000, 0.0032879200000000, -0.0012105200000000 ] - [ 0.0002031300000000, 0.0024393200000000, -0.0006750600000000 ] - [ -0.0010701800000000, 0.0001677100000000, -0.0022748800000000 ] - [ -0.0002065100000000, -0.0000914100000000, -0.0004375400000000 ] - [ 0.0013053300000000, 0.0032785200000000, 0.0020119000000000 ] - [ 0.0001233100000000, -0.0000474600000000, -0.0000809200000000 ] - [ -0.0003750900000000, -0.0002715900000000, -0.0000868600000000 ] - [ 0.0035983000000000, 0.0028131600000000, -0.0028807300000000 ] - [ 0.0085420500000000, -0.0071601100000000, -0.0257283800000000 ] - [ -0.0001229100000000, -0.0002165000000000, -0.0006968300000000 ] - [ 0.0000224300000000, 0.0005335300000000, 0.0011763000000000 ] - [ -0.0000461200000000, -0.0000250500000000, -0.0004874700000000 ] - [ -0.0036658000000000, 0.0051354600000000, -0.0049146600000000 ] - [ -0.0001819900000000, 0.0007649000000000, -0.0001094100000000 ] - [ 0.0029884900000000, 0.0000152100000000, -0.0006652900000000 ] - [ 0.0000208000000000, -0.0004560800000000, 0.0000976100000000 ] - [ 0.0047495900000000, 0.0279129900000000, 0.0068388300000000 ] - [ 0.0000883400000000, -0.0002944200000000, -0.0004888900000000 ] - [ -0.0001497700000000, -0.0004267200000000, -0.0003161000000000 ] - [ 0.0000351800000000, -0.0003925100000000, -0.0001786900000000 ] - [ -0.0001328500000000, -0.0013464400000000, -0.0012140900000000 ] - [ 0.0001250000000000, -0.0003902000000000, -0.0000354800000000 ] - [ 0.0003733600000000, -0.0010510500000000, -0.0007550300000000 ] - [ 0.0000487300000000, 0.0004872600000000, -0.0004204700000000 ]- atom: 71 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0003238500000000, -0.0036722900000000, 0.0011096000000000 ] - [ 0.0001668500000000, -0.0009254200000000, 0.0006722100000000 ] - [ 0.0000752800000000, 0.0007401900000000, 0.0003106600000000 ] - [ 0.0000174900000000, 0.0000924500000000, -0.0005604000000000 ] - [ 0.0005831000000000, 0.0051515900000000, 0.0001077300000000 ] - [ -0.0005069300000000, 0.0003838000000000, -0.0007498900000000 ] - [ 0.0001757100000000, -0.0001328800000000, -0.0005008300000000 ] - [ 0.0001650900000000, -0.0007265900000000, 0.0001504900000000 ] - [ -0.0000077000000000, 0.0005591000000000, -0.0006293200000000 ] - [ 0.0000198400000000, -0.0002472100000000, -0.0003839100000000 ] - [ 0.0002538400000000, 0.0010042200000000, -0.0001028300000000 ] - [ 0.0001673900000000, -0.0008117300000000, 0.0001928500000000 ] - [ -0.0003832400000000, -0.0008094100000000, 0.0001643200000000 ] - [ 0.0024685800000000, -0.0057638700000000, 0.0002859900000000 ] - [ -0.0000818700000000, -0.0005306000000000, 0.0000150800000000 ] - [ -0.0007374400000000, -0.0036155500000000, 0.0016336300000000 ] - [ 0.0000012200000000, 0.0001719100000000, -0.0000843800000000 ] - [ -0.0003348400000000, 0.0003216500000000, -0.0002691200000000 ] - [ -0.0001818400000000, 0.0008303200000000, -0.0000370200000000 ] - [ 0.0006708400000000, -0.0011967900000000, 0.0054073200000000 ] - [ 0.0000987500000000, 0.0007673900000000, 0.0002153700000000 ] - [ -0.0000618700000000, -0.0004072200000000, 0.0001342700000000 ] - [ 0.0000191100000000, -0.0001257200000000, -0.0001594100000000 ] - [ -0.0000887400000000, 0.0006704500000000, 0.0001508900000000 ] - [ 0.0000612900000000, 0.0003009600000000, 0.0000659600000000 ] - [ -0.0002626500000000, -0.0004586000000000, -0.0003155300000000 ] - [ -0.0000301300000000, -0.0003330800000000, -0.0000455600000000 ] - [ 0.0000702500000000, 0.0000156200000000, -0.0002798500000000 ] - [ 0.0004514100000000, 0.0005295200000000, -0.0001975900000000 ] - [ -0.0001720300000000, -0.0005896600000000, -0.0002687600000000 ] - [ -0.0001417200000000, 0.0003440700000000, 0.0002271200000000 ] - [ 0.0002745900000000, -0.0004004100000000, -0.0001504300000000 ] - [ -0.0007499400000000, -0.0034062500000000, 0.0014592800000000 ] - [ 0.0000748200000000, 0.0004659400000000, 0.0007511800000000 ] - [ -0.0000547500000000, -0.0007915600000000, 0.0003938800000000 ] - [ -0.0000035300000000, -0.0002848700000000, -0.0005339000000000 ] - [ -0.0002768100000000, 0.0007160000000000, -0.0002313600000000 ] - [ -0.0011580400000000, 0.0018326300000000, 0.0004672000000000 ] - [ 0.0004159400000000, 0.0016974400000000, -0.0009413500000000 ] - [ 0.0002123100000000, -0.0002649500000000, -0.0001786300000000 ] - [ 0.0000033600000000, -0.0000137400000000, -0.0003566100000000 ] - [ 0.0065665600000000, -0.0010010900000000, 0.0004802900000000 ] - [ 0.0000149500000000, -0.0000725100000000, -0.0000452100000000 ] - [ 0.0000140900000000, -0.0001104200000000, -0.0000723300000000 ] - [ 0.0013023700000000, 0.0016826300000000, 0.0002829600000000 ] - [ -0.0004279800000000, 0.0013026800000000, 0.0017130000000000 ] - [ 0.0000700600000000, -0.0010512300000000, 0.0000949500000000 ] - [ -0.0000773900000000, 0.0002364900000000, -0.0007111100000000 ] - [ 0.0001191500000000, -0.0013311300000000, -0.0003048300000000 ] - [ -0.0001498100000000, 0.0032657400000000, -0.0006070400000000 ] - [ -0.0002622600000000, -0.0001263700000000, -0.0007790100000000 ] - [ -0.0002268700000000, 0.0001171600000000, 0.0004425200000000 ] - [ 0.0005915000000000, 0.0027410600000000, 0.0007363900000000 ] - [ 0.0003833200000000, 0.0000849700000000, 0.0010774300000000 ] - [ 0.0905150300000000, -0.1929429600000000, 0.0813163900000000 ] - [ -0.0000385400000000, 0.0002284400000000, -0.0011900500000000 ] - [ 0.0005953800000000, 0.0041370500000000, 0.0011781200000000 ] - [ -0.0000744300000000, 0.0000154600000000, -0.0006522300000000 ] - [ 0.0001266200000000, 0.0001422800000000, -0.0010640500000000 ] - [ -0.0001324300000000, -0.0002711200000000, -0.0001737700000000 ] - [ 0.0010656700000000, 0.0005123700000000, -0.0011519700000000 ] - [ 0.0029461800000000, 0.0023556500000000, -0.0078355200000000 ] - [ -0.0100348800000000, 0.0000633900000000, -0.0006450300000000 ] - [ -0.0003392300000000, 0.0021982900000000, -0.0003945800000000 ] - [ -0.0001791500000000, 0.0001195800000000, 0.0003508200000000 ] - [ 0.0002146200000000, -0.0002207600000000, -0.0021791500000000 ] - [ 0.0003318200000000, -0.0019669400000000, -0.0013016000000000 ] - [ 0.0007024400000000, 0.0020179500000000, 0.0015203100000000 ] - [ 0.0004169800000000, 0.0001467400000000, -0.0001452800000000 ] - [ -0.0002201800000000, -0.0006564800000000, 0.0000050200000000 ] - [ -0.1146476700000000, 0.2210676800000000, -0.0990811600000000 ] - [ 0.0299106100000000, 0.0095070700000000, -0.0057487700000000 ] - [ -0.0001388200000000, -0.0002622100000000, 0.0003958600000000 ] - [ -0.0001776000000000, 0.0000920100000000, -0.0007152200000000 ] - [ 0.0028790100000000, -0.0042171600000000, -0.0052113600000000 ] - [ 0.0002698900000000, -0.0002243600000000, -0.0004781800000000 ] - [ 0.0044837500000000, 0.0049071900000000, -0.0015843100000000 ] - [ -0.0000643100000000, -0.0001025100000000, 0.0005091700000000 ] - [ 0.0006478900000000, -0.0026105200000000, -0.0013817600000000 ] - [ 0.0005034700000000, -0.0022548000000000, 0.0010089100000000 ] - [ -0.0013160800000000, -0.0004687400000000, -0.0004899300000000 ] - [ -0.0001400900000000, -0.0013190500000000, 0.0005010000000000 ] - [ -0.0015871800000000, -0.0014568200000000, -0.0026680100000000 ] - [ -0.0005144500000000, -0.0001061600000000, 0.0017330500000000 ] - [ -0.0001443400000000, -0.0000457000000000, 0.0010492500000000 ] - [ 0.0001607700000000, 0.0000582000000000, 0.0005468000000000 ] - [ -0.0001944600000000, -0.0006280400000000, 0.0001281800000000 ] - [ 0.0003613800000000, -0.0001894700000000, 0.0015298600000000 ] - [ 0.0000972300000000, -0.0030526500000000, 0.0015017200000000 ] - [ -0.0002515300000000, -0.0019060300000000, 0.0008490700000000 ] - [ 0.0011915800000000, 0.0002757400000000, 0.0023348900000000 ] - [ -0.0000187500000000, 0.0000640800000000, 0.0005785100000000 ] - [ -0.0013089600000000, -0.0034562400000000, -0.0018017700000000 ] - [ -0.0000792000000000, -0.0004813800000000, -0.0000883500000000 ] - [ 0.0004771100000000, 0.0000745700000000, -0.0003571200000000 ] - [ -0.0036380700000000, -0.0033272200000000, 0.0029909500000000 ] - [ -0.0082661400000000, 0.0072164900000000, 0.0257638200000000 ] - [ 0.0002279000000000, -0.0002211100000000, 0.0007247800000000 ] - [ -0.0001332100000000, -0.0000860700000000, -0.0012231600000000 ] - [ 0.0000567500000000, -0.0001418400000000, 0.0002964800000000 ] - [ 0.0038951900000000, -0.0051432700000000, 0.0047889400000000 ] - [ 0.0002235300000000, -0.0002005400000000, 0.0004741300000000 ] - [ -0.0028259200000000, 0.0004293000000000, 0.0001517800000000 ] - [ 0.0000441500000000, 0.0003580400000000, 0.0001127000000000 ] - [ -0.0047635700000000, -0.0274444000000000, -0.0070203400000000 ] - [ -0.0000185200000000, -0.0007249600000000, 0.0003534800000000 ] - [ -0.0005314000000000, 0.0002992400000000, -0.0000420400000000 ] - [ 0.0002222000000000, 0.0003440200000000, 0.0003995200000000 ] - [ 0.0000468100000000, 0.0011239000000000, 0.0014835400000000 ] - [ -0.0001449100000000, 0.0005701500000000, 0.0002987000000000 ] - [ -0.0003312700000000, 0.0015762800000000, 0.0005904900000000 ] - [ 0.0001868000000000, -0.0005964800000000, -0.0000879000000000 ]- atom: 71 displacement: [ -0.0000185648863736, 0.0000000000000000, 0.0099999827672348 ] forces: - [ -0.0005073700000000, 0.0005774900000000, 0.0037497100000000 ] - [ 0.0013624400000000, -0.0013651900000000, -0.0007285300000000 ] - [ 0.0003679300000000, 0.0004857200000000, 0.0010645200000000 ] - [ 0.0000267000000000, 0.0001833700000000, -0.0008810300000000 ] - [ -0.0001275000000000, 0.0016228900000000, 0.0014850700000000 ] - [ -0.0005310900000000, 0.0003642000000000, -0.0009193600000000 ] - [ 0.0001690500000000, -0.0001030000000000, -0.0006718400000000 ] - [ 0.0002185000000000, -0.0002318200000000, -0.0005732400000000 ] - [ -0.0000112300000000, 0.0001100400000000, -0.0004778200000000 ] - [ 0.0000338200000000, 0.0001467800000000, -0.0003770700000000 ] - [ 0.0002804900000000, 0.0005923000000000, -0.0002213700000000 ] - [ 0.0001683200000000, -0.0002981500000000, -0.0003305700000000 ] - [ -0.0000248100000000, -0.0000863400000000, 0.0002244700000000 ] - [ -0.0010787000000000, 0.0002972300000000, 0.0033469100000000 ] - [ -0.0001190600000000, -0.0001906900000000, -0.0002949100000000 ] - [ -0.0018347400000000, -0.0040362900000000, 0.0108851400000000 ] - [ 0.0000510500000000, -0.0002080700000000, -0.0001489400000000 ] - [ -0.0000421100000000, -0.0001618600000000, -0.0004959400000000 ] - [ 0.0000289700000000, 0.0001767700000000, 0.0002509400000000 ] - [ -0.0005023700000000, -0.0016424100000000, 0.0009592800000000 ] - [ 0.0000251000000000, 0.0005298200000000, -0.0000449700000000 ] - [ -0.0000930300000000, -0.0000791200000000, -0.0002028200000000 ] - [ 0.0000170500000000, 0.0000915500000000, -0.0003877900000000 ] - [ 0.0000152300000000, 0.0002553100000000, -0.0000693500000000 ] - [ 0.0000767600000000, -0.0002357700000000, -0.0003124700000000 ] - [ -0.0000814000000000, -0.0000857400000000, -0.0005455400000000 ] - [ -0.0000534900000000, -0.0001639200000000, -0.0001520700000000 ] - [ 0.0000721400000000, 0.0002678400000000, -0.0001881300000000 ] - [ 0.0001176600000000, 0.0000445200000000, -0.0004300800000000 ] - [ -0.0002491300000000, -0.0000866400000000, -0.0004980700000000 ] - [ -0.0001571400000000, -0.0000614700000000, -0.0002193400000000 ] - [ 0.0000714600000000, -0.0000202100000000, -0.0004173200000000 ] - [ 0.0023886600000000, 0.0003472600000000, 0.0002404000000000 ] - [ -0.0003387400000000, -0.0003725800000000, 0.0007724300000000 ] - [ -0.0001562200000000, -0.0001028600000000, 0.0004712300000000 ] - [ -0.0000096900000000, -0.0000723200000000, -0.0007505600000000 ] - [ -0.0003259300000000, 0.0004009600000000, -0.0002581000000000 ] - [ -0.0003582100000000, 0.0006714800000000, 0.0004297300000000 ] - [ 0.0000324300000000, 0.0007451400000000, 0.0001292600000000 ] - [ 0.0002754000000000, 0.0000930200000000, -0.0003106300000000 ] - [ -0.0000336700000000, -0.0001544200000000, -0.0005823300000000 ] - [ 0.0016068900000000, 0.0000595500000000, 0.0027280700000000 ] - [ 0.0000492700000000, -0.0002120700000000, -0.0003016900000000 ] - [ 0.0000244200000000, -0.0003142300000000, -0.0002527900000000 ] - [ 0.0006537200000000, 0.0002929700000000, 0.0010540500000000 ] - [ -0.0000294400000000, -0.0004433000000000, 0.0011714300000000 ] - [ -0.0007820500000000, -0.0000266200000000, -0.0000985300000000 ] - [ -0.0000736700000000, 0.0000002200000000, -0.0008821400000000 ] - [ 0.0003160700000000, -0.0015380500000000, -0.0017976200000000 ] - [ -0.0004218300000000, 0.0016349600000000, -0.0004628100000000 ] - [ -0.0001020400000000, -0.0000225200000000, -0.0018832100000000 ] - [ -0.0000650100000000, 0.0001562800000000, -0.0004733600000000 ] - [ -0.0001204500000000, -0.0002380600000000, -0.0005024700000000 ] - [ 0.0003816400000000, 0.0001962900000000, -0.0006053500000000 ] - [ 0.0557926000000000, -0.0771224500000000, 0.0906939200000000 ] - [ -0.0000623300000000, 0.0000017500000000, -0.0010490400000000 ] - [ -0.0006783100000000, -0.0009188700000000, -0.0007268700000000 ] - [ -0.0000372400000000, -0.0000259000000000, -0.0016886500000000 ] - [ 0.0001066000000000, -0.0000651000000000, -0.0008494900000000 ] - [ -0.0006413700000000, 0.0001025400000000, -0.0012559200000000 ] - [ 0.0017918900000000, 0.0003738500000000, 0.0006309900000000 ] - [ 0.0045217700000000, -0.0002555000000000, -0.0079615200000000 ] - [ -0.0032156900000000, 0.0014786100000000, 0.0015039500000000 ] - [ -0.0004938200000000, 0.0015073100000000, -0.0001372100000000 ] - [ -0.0002688000000000, -0.0004743300000000, 0.0007431500000000 ] - [ -0.0003613600000000, 0.0000981500000000, 0.0011827400000000 ] - [ 0.0012115600000000, -0.0013831200000000, -0.0024781400000000 ] - [ 0.0008924900000000, 0.0012406000000000, 0.0013004300000000 ] - [ -0.0001729400000000, -0.0000956900000000, 0.0006300000000000 ] - [ 0.0001029700000000, -0.0003865000000000, 0.0003515400000000 ] - [ -0.0602909900000000, 0.1004499100000000, -0.1031199300000000 ] - [ 0.0128402000000000, 0.0050518900000000, -0.0056362200000000 ] - [ -0.0001677500000000, -0.0002885600000000, 0.0005473100000000 ] - [ -0.0002108000000000, 0.0002371100000000, 0.0003210700000000 ] - [ -0.0011080100000000, 0.0023740000000000, 0.0006496000000000 ] - [ 0.0005931300000000, -0.0002565200000000, 0.0004070300000000 ] - [ 0.0018657300000000, 0.0013816900000000, -0.0023477200000000 ] - [ -0.0002347800000000, -0.0000929600000000, 0.0006444400000000 ] - [ 0.0007648000000000, -0.0014881400000000, -0.0014746100000000 ] - [ -0.0003780900000000, -0.0000776200000000, -0.0003867700000000 ] - [ 0.0005269000000000, 0.0001774500000000, -0.0001630100000000 ] - [ -0.0000720600000000, -0.0005093500000000, 0.0004154800000000 ] - [ 0.0003399300000000, 0.0008759700000000, -0.0003855100000000 ] - [ -0.0005249700000000, -0.0000901100000000, 0.0014359300000000 ] - [ -0.0006065300000000, 0.0000229100000000, 0.0028821200000000 ] - [ -0.0000905000000000, 0.0000941300000000, 0.0000920800000000 ] - [ 0.0001126100000000, 0.0000961200000000, 0.0006706900000000 ] - [ 0.0002570700000000, -0.0002155500000000, 0.0010807800000000 ] - [ -0.0004024600000000, -0.0020051500000000, 0.0024003700000000 ] - [ 0.0001985400000000, 0.0001534900000000, -0.0003950200000000 ] - [ -0.0008311600000000, 0.0000928800000000, -0.0016030400000000 ] - [ 0.0001268400000000, 0.0004893700000000, 0.0010166000000000 ] - [ -0.0010117000000000, -0.0008956700000000, -0.0016320500000000 ] - [ -0.0002302000000000, -0.0004119000000000, 0.0007738500000000 ] - [ 0.0008908400000000, 0.0000160700000000, -0.0006811200000000 ] - [ -0.0025565900000000, -0.0031678800000000, 0.0009038500000000 ] - [ 0.0039236200000000, -0.0097392600000000, 0.0166361600000000 ] - [ 0.0006307500000000, -0.0001667800000000, 0.0022344700000000 ] - [ 0.0002709200000000, 0.0001535500000000, 0.0009549600000000 ] - [ 0.0001459000000000, -0.0006466900000000, 0.0006877100000000 ] - [ 0.0029339600000000, -0.0048576400000000, 0.0017227200000000 ] - [ -0.0000355100000000, 0.0003952600000000, 0.0007589400000000 ] - [ -0.0035761200000000, 0.0002267800000000, -0.0000552700000000 ] - [ 0.0000749400000000, 0.0000290700000000, 0.0003505800000000 ] - [ -0.0131547900000000, -0.0105618000000000, -0.0170370500000000 ] - [ -0.0001644200000000, 0.0001750200000000, 0.0007998200000000 ] - [ 0.0001759000000000, 0.0000908600000000, 0.0006792700000000 ] - [ 0.0000481200000000, -0.0002397300000000, 0.0006933800000000 ] - [ -0.0000229100000000, 0.0010193100000000, 0.0025868300000000 ] - [ 0.0000322300000000, -0.0001600700000000, 0.0007437800000000 ] - [ -0.0000774900000000, 0.0006993800000000, 0.0003580400000000 ] - [ -0.0000942100000000, -0.0002964600000000, 0.0003671000000000 ]- atom: 71 displacement: [ 0.0000185648863736, 0.0000000000000000, -0.0099999827672348 ] forces: - [ 0.0006051900000000, -0.0002723000000000, -0.0032279100000000 ] - [ -0.0018754000000000, 0.0007725700000000, 0.0006023000000000 ] - [ 0.0001531500000000, 0.0001019600000000, -0.0009371100000000 ] - [ -0.0000473700000000, 0.0000690600000000, 0.0004446400000000 ] - [ 0.0001049700000000, -0.0018775600000000, -0.0019207600000000 ] - [ 0.0000112700000000, 0.0002246800000000, 0.0007983500000000 ] - [ -0.0001473200000000, -0.0001502600000000, 0.0011038700000000 ] - [ 0.0003022000000000, -0.0003544800000000, 0.0007022000000000 ] - [ 0.0000413200000000, 0.0001212000000000, 0.0004937100000000 ] - [ 0.0000802200000000, 0.0001295400000000, 0.0005646200000000 ] - [ -0.0002829400000000, -0.0000284000000000, 0.0001488000000000 ] - [ -0.0001733100000000, 0.0002580900000000, 0.0003073800000000 ] - [ -0.0002336400000000, 0.0001308000000000, -0.0001073600000000 ] - [ 0.0012194500000000, -0.0004696600000000, -0.0032084100000000 ] - [ 0.0002390800000000, 0.0003507600000000, 0.0001335600000000 ] - [ 0.0014943300000000, 0.0038819900000000, -0.0104016000000000 ] - [ 0.0000677700000000, 0.0000388700000000, -0.0000154700000000 ] - [ 0.0000026000000000, -0.0000539800000000, 0.0004714200000000 ] - [ -0.0001497400000000, -0.0000068600000000, -0.0000856500000000 ] - [ 0.0004883600000000, 0.0021274900000000, -0.0010228500000000 ] - [ -0.0000021100000000, -0.0001946000000000, 0.0005143400000000 ] - [ -0.0000267700000000, -0.0000878700000000, 0.0003674200000000 ] - [ -0.0000128500000000, -0.0000531100000000, 0.0004109300000000 ] - [ -0.0000492800000000, 0.0001186300000000, 0.0000795600000000 ] - [ -0.0000817600000000, 0.0002710700000000, 0.0002880900000000 ] - [ -0.0000370100000000, -0.0002012800000000, 0.0003532100000000 ] - [ 0.0000203200000000, -0.0002069700000000, 0.0001630800000000 ] - [ -0.0000505800000000, -0.0005979800000000, 0.0006571200000000 ] - [ 0.0000578900000000, 0.0001519300000000, 0.0005973700000000 ] - [ 0.0002452600000000, -0.0004727700000000, 0.0004250300000000 ] - [ -0.0000990200000000, 0.0000118400000000, 0.0003367200000000 ] - [ 0.0000251500000000, -0.0000609100000000, 0.0006063200000000 ] - [ -0.0023671200000000, -0.0000115100000000, -0.0007630500000000 ] - [ 0.0004555800000000, 0.0000821900000000, -0.0005755100000000 ] - [ 0.0001948400000000, -0.0001139200000000, -0.0004500400000000 ] - [ -0.0000811800000000, 0.0001447900000000, 0.0005599800000000 ] - [ 0.0005837100000000, -0.0003467600000000, 0.0001467800000000 ] - [ 0.0002330600000000, -0.0003789500000000, -0.0006173600000000 ] - [ -0.0000276900000000, -0.0007791600000000, -0.0001127300000000 ] - [ -0.0000176100000000, -0.0001400700000000, 0.0001924300000000 ] - [ 0.0000107300000000, -0.0001802800000000, 0.0001123100000000 ] - [ -0.0016559300000000, 0.0001426400000000, -0.0027394700000000 ] - [ -0.0000157000000000, -0.0001618800000000, 0.0002906100000000 ] - [ -0.0000223000000000, -0.0002493500000000, 0.0003238600000000 ] - [ -0.0005473400000000, -0.0002111700000000, -0.0008630500000000 ] - [ -0.0000701900000000, 0.0003603600000000, -0.0013506300000000 ] - [ 0.0008186400000000, 0.0003949800000000, 0.0000872800000000 ] - [ -0.0000938900000000, -0.0001873000000000, 0.0007111500000000 ] - [ 0.0001222900000000, 0.0012935400000000, 0.0020470800000000 ] - [ 0.0009819300000000, -0.0018680900000000, 0.0008027800000000 ] - [ -0.0004472800000000, -0.0002084600000000, 0.0015428200000000 ] - [ -0.0000646500000000, 0.0000428200000000, 0.0009440000000000 ] - [ 0.0003087400000000, 0.0006620800000000, 0.0002413100000000 ] - [ 0.0001746600000000, 0.0000407100000000, 0.0009383000000000 ] - [ -0.0573854000000000, 0.0787759500000000, -0.0907173900000000 ] - [ -0.0003780100000000, -0.0002346600000000, 0.0007918300000000 ] - [ 0.0002485400000000, 0.0011620900000000, 0.0004673500000000 ] - [ 0.0001607000000000, -0.0001709200000000, 0.0012101600000000 ] - [ 0.0000758600000000, -0.0003565000000000, 0.0005920100000000 ] - [ 0.0004569500000000, -0.0005200700000000, 0.0015081900000000 ] - [ -0.0019756100000000, 0.0000513700000000, -0.0003915000000000 ] - [ -0.0041129400000000, 0.0005014200000000, 0.0082360400000000 ] - [ 0.0032712900000000, -0.0012838000000000, -0.0019844900000000 ] - [ 0.0003651200000000, -0.0017045600000000, 0.0006136800000000 ] - [ 0.0000621600000000, 0.0005229900000000, -0.0008157500000000 ] - [ 0.0002297200000000, 0.0001086100000000, -0.0013751100000000 ] - [ -0.0014079800000000, 0.0013214100000000, 0.0023898500000000 ] - [ -0.0009127200000000, -0.0010170100000000, -0.0014628100000000 ] - [ 0.0001327900000000, -0.0004337900000000, -0.0004580500000000 ] - [ -0.0000213900000000, 0.0001695700000000, -0.0006283100000000 ] - [ 0.0611207100000000, -0.1015757100000000, 0.1025181100000000 ] - [ -0.0128136800000000, -0.0048938000000000, 0.0060850200000000 ] - [ 0.0000146700000000, -0.0001555800000000, -0.0000267400000000 ] - [ 0.0002120200000000, -0.0004478100000000, -0.0004738200000000 ] - [ 0.0012069000000000, -0.0021785400000000, -0.0009453200000000 ] - [ -0.0004374900000000, -0.0001867800000000, -0.0009243200000000 ] - [ -0.0018107200000000, -0.0008299000000000, 0.0022403500000000 ] - [ 0.0001262500000000, -0.0001022500000000, -0.0001743000000000 ] - [ -0.0005585500000000, 0.0015368100000000, 0.0015460700000000 ] - [ 0.0003758600000000, 0.0002841800000000, 0.0005459500000000 ] - [ -0.0006915200000000, 0.0002646500000000, 0.0006846500000000 ] - [ 0.0001353400000000, 0.0005924900000000, -0.0002079100000000 ] - [ -0.0004021300000000, -0.0007840000000000, 0.0001774600000000 ] - [ 0.0003946200000000, -0.0001181200000000, -0.0016324900000000 ] - [ 0.0007346300000000, -0.0002298500000000, -0.0026801700000000 ] - [ 0.0001980400000000, 0.0001021200000000, -0.0005469100000000 ] - [ 0.0001200600000000, -0.0000600500000000, -0.0008057200000000 ] - [ -0.0003868500000000, -0.0002254400000000, -0.0011515900000000 ] - [ 0.0003205900000000, 0.0022305900000000, -0.0021358000000000 ] - [ -0.0002374200000000, 0.0003647400000000, 0.0005711000000000 ] - [ 0.0009749100000000, 0.0003482600000000, 0.0017016900000000 ] - [ -0.0003569900000000, -0.0005241900000000, -0.0008792800000000 ] - [ 0.0010043700000000, 0.0007322900000000, 0.0018268400000000 ] - [ 0.0002700000000000, -0.0001139200000000, -0.0009384000000000 ] - [ -0.0007869600000000, -0.0002123000000000, 0.0002254300000000 ] - [ 0.0025073900000000, 0.0026268600000000, -0.0008065400000000 ] - [ -0.0038921000000000, 0.0101212800000000, -0.0165412300000000 ] - [ -0.0004989500000000, -0.0002740900000000, -0.0021601800000000 ] - [ -0.0004000700000000, 0.0002878600000000, -0.0010186500000000 ] - [ -0.0001397500000000, 0.0004800500000000, -0.0008856500000000 ] - [ -0.0027006300000000, 0.0048238000000000, -0.0018720500000000 ] - [ -0.0000076100000000, 0.0001336000000000, -0.0006577900000000 ] - [ 0.0037454600000000, 0.0002164500000000, -0.0004567600000000 ] - [ -0.0000165500000000, -0.0001205500000000, -0.0001407500000000 ] - [ 0.0132465700000000, 0.0106964400000000, 0.0168365900000000 ] - [ 0.0002053000000000, -0.0007076000000000, -0.0008934000000000 ] - [ -0.0001785200000000, -0.0003087900000000, -0.0005243300000000 ] - [ 0.0001557000000000, 0.0001841000000000, -0.0006161400000000 ] - [ -0.0000573600000000, -0.0012343700000000, -0.0022930600000000 ] - [ -0.0000353100000000, 0.0003193200000000, -0.0005419200000000 ] - [ 0.0001325700000000, -0.0001638900000000, -0.0005399600000000 ] - [ 0.0000354300000000, 0.0002108100000000, -0.0005755500000000 ]- atom: 72 displacement: [ 0.0099999995909515, 0.0000000000000000, -0.0000028602394792 ] forces: - [ -0.0062708400000000, 0.0001453500000000, 0.0002537100000000 ] - [ 0.0027364000000000, -0.0000960500000000, 0.0001991600000000 ] - [ 0.0002774800000000, 0.0001877400000000, -0.0008877200000000 ] - [ -0.0000076600000000, 0.0001251500000000, -0.0001312100000000 ] - [ 0.0000814100000000, -0.0005880100000000, -0.0008936600000000 ] - [ 0.0009281500000000, 0.0002731400000000, 0.0000325400000000 ] - [ -0.0006405500000000, -0.0001401900000000, 0.0003542300000000 ] - [ 0.0002601700000000, -0.0003003700000000, 0.0001098100000000 ] - [ 0.0000331800000000, 0.0003398000000000, -0.0003702300000000 ] - [ 0.0000130800000000, -0.0001966700000000, -0.0003130800000000 ] - [ -0.0009060100000000, 0.0002443700000000, -0.0000135700000000 ] - [ -0.0008892800000000, 0.0000985800000000, 0.0000406700000000 ] - [ -0.0004898000000000, -0.0020592100000000, -0.0014847400000000 ] - [ -0.0063793300000000, -0.0000038400000000, -0.0003323500000000 ] - [ 0.0011851800000000, 0.0001990800000000, -0.0000676900000000 ] - [ 0.0000553200000000, 0.0010004500000000, -0.0036816400000000 ] - [ 0.0002618900000000, -0.0000128200000000, -0.0000739200000000 ] - [ 0.0000165400000000, -0.0000988400000000, 0.0000308900000000 ] - [ -0.0004963400000000, 0.0024315300000000, -0.0023216700000000 ] - [ -0.0001406700000000, 0.0029056600000000, 0.0022869100000000 ] - [ -0.0000430300000000, -0.0002507700000000, 0.0004498900000000 ] - [ -0.0000594400000000, -0.0001405700000000, 0.0001543000000000 ] - [ -0.0000109500000000, 0.0000441600000000, 0.0000227100000000 ] - [ -0.0000738100000000, 0.0007027700000000, -0.0000854100000000 ] - [ -0.0000972500000000, 0.0000738900000000, -0.0000291600000000 ] - [ -0.0000100500000000, -0.0001486000000000, -0.0000558800000000 ] - [ -0.0000203100000000, -0.0002510800000000, 0.0000935200000000 ] - [ 0.0000271700000000, -0.0000332600000000, 0.0000762200000000 ] - [ 0.0000355700000000, 0.0001062300000000, 0.0001310300000000 ] - [ -0.0001980300000000, -0.0003627600000000, 0.0000123300000000 ] - [ -0.0001402400000000, 0.0000360300000000, 0.0001165500000000 ] - [ -0.0000035500000000, -0.0000443900000000, 0.0001447300000000 ] - [ -0.0062314400000000, 0.0002070300000000, 0.0001103200000000 ] - [ -0.0001058900000000, 0.0011526900000000, 0.0033752100000000 ] - [ 0.0000432400000000, -0.0014043100000000, 0.0030614400000000 ] - [ -0.0000848800000000, 0.0004225200000000, 0.0005104400000000 ] - [ 0.0016770500000000, -0.0001740400000000, 0.0000402400000000 ] - [ 0.0092136300000000, 0.0003775500000000, -0.0004009400000000 ] - [ -0.0004670200000000, -0.0025200200000000, 0.0022792000000000 ] - [ 0.0002530900000000, -0.0001027400000000, -0.0000141000000000 ] - [ -0.0000735400000000, -0.0001575700000000, -0.0001925900000000 ] - [ 0.0083246500000000, -0.0001742200000000, -0.0003297300000000 ] - [ 0.0001194600000000, -0.0001707600000000, 0.0000461700000000 ] - [ -0.0000006900000000, -0.0003057400000000, 0.0000551400000000 ] - [ -0.0064435700000000, 0.0002260900000000, -0.0002925400000000 ] - [ -0.0002415900000000, -0.0009068400000000, -0.0036588200000000 ] - [ 0.0070519600000000, 0.0003616600000000, -0.0002477700000000 ] - [ -0.0000503500000000, -0.0003188100000000, 0.0004428800000000 ] - [ -0.0003501800000000, -0.0002811200000000, -0.0000068700000000 ] - [ 0.0004798100000000, 0.0000828800000000, 0.0005409200000000 ] - [ -0.0000797800000000, -0.0001659300000000, -0.0000824700000000 ] - [ 0.0000894400000000, 0.0001415900000000, 0.0000692500000000 ] - [ -0.0002346200000000, 0.0005220600000000, 0.0001347600000000 ] - [ 0.0000224200000000, 0.0001116700000000, 0.0001277200000000 ] - [ 0.1842425400000000, 0.0165657500000000, -0.0164909500000000 ] - [ -0.0002435100000000, -0.0000848000000000, -0.0001560800000000 ] - [ 0.0001582900000000, 0.0005621600000000, 0.0003392900000000 ] - [ 0.0003028100000000, -0.0000749900000000, 0.0000531700000000 ] - [ 0.0001349800000000, -0.0001936200000000, -0.0001498800000000 ] - [ -0.0007033400000000, 0.0000608600000000, 0.0007651400000000 ] - [ -0.0157012400000000, 0.0023911500000000, -0.0202165500000000 ] - [ -0.0173246100000000, -0.0009931000000000, 0.0206732100000000 ] - [ 0.1770312600000000, -0.0056032500000000, 0.0066369800000000 ] - [ -0.0005625400000000, -0.0001150200000000, 0.0007239400000000 ] - [ -0.0000394000000000, 0.0000712100000000, -0.0000163500000000 ] - [ 0.0000174700000000, 0.0001024100000000, -0.0000969500000000 ] - [ 0.0127373300000000, -0.0321562000000000, -0.0138762000000000 ] - [ -0.0005330600000000, -0.0027105100000000, -0.0039595400000000 ] - [ -0.0000698100000000, -0.0002346000000000, 0.0000393300000000 ] - [ 0.0000777400000000, -0.0001560300000000, -0.0001572600000000 ] - [ 0.0204112700000000, -0.0303411100000000, 0.0130558100000000 ] - [ -0.4356670700000000, -0.0125574400000000, 0.0164662500000000 ] - [ -0.0000895600000000, -0.0002393700000000, 0.0002503000000000 ] - [ -0.0003274900000000, -0.0004690600000000, 0.0004419400000000 ] - [ 0.0028470200000000, -0.0004019900000000, -0.0004367400000000 ] - [ 0.0008217100000000, -0.0002281400000000, -0.0003032200000000 ] - [ 0.0159662700000000, 0.0315584500000000, -0.0169960000000000 ] - [ -0.0003776700000000, -0.0000901000000000, 0.0002081100000000 ] - [ -0.0027362600000000, -0.0000569200000000, 0.0002273300000000 ] - [ 0.0024268900000000, -0.0002071400000000, 0.0004075200000000 ] - [ -0.0003954500000000, 0.0005774600000000, -0.0001759300000000 ] - [ -0.0003684700000000, -0.0030148400000000, 0.0021727200000000 ] - [ -0.0026556100000000, 0.0000993700000000, -0.0000984900000000 ] - [ -0.0001491600000000, -0.0000993300000000, 0.0000382500000000 ] - [ 0.0000712800000000, -0.0000720800000000, 0.0001067500000000 ] - [ 0.0001647800000000, -0.0000031200000000, -0.0001056100000000 ] - [ 0.0004098800000000, 0.0001624900000000, -0.0002136600000000 ] - [ 0.0000368200000000, -0.0002161700000000, 0.0000510800000000 ] - [ -0.0001337700000000, 0.0031426200000000, -0.0022088700000000 ] - [ -0.0022278200000000, -0.0002907600000000, 0.0005866500000000 ] - [ 0.0143137700000000, -0.0015021000000000, 0.0461166200000000 ] - [ -0.0001035500000000, -0.0000839400000000, -0.0001099200000000 ] - [ 0.0021931100000000, -0.0002890300000000, 0.0003856600000000 ] - [ -0.0001217000000000, 0.0000069500000000, -0.0008227200000000 ] - [ 0.0002361800000000, 0.0002011100000000, -0.0008189100000000 ] - [ -0.0026637800000000, -0.0001009600000000, 0.0002579300000000 ] - [ 0.0122741200000000, 0.0004007000000000, -0.0479626200000000 ] - [ -0.0000473100000000, -0.0002952700000000, -0.0006037100000000 ] - [ -0.0002149300000000, 0.0002402600000000, 0.0001919100000000 ] - [ 0.0000030000000000, -0.0000155200000000, -0.0003002300000000 ] - [ 0.0022330200000000, -0.0004497900000000, 0.0007824600000000 ] - [ -0.0002838400000000, 0.0003438400000000, -0.0000188100000000 ] - [ 0.0229242300000000, -0.0000091600000000, 0.0001870700000000 ] - [ 0.0000030700000000, -0.0003072700000000, -0.0007224800000000 ] - [ 0.0107294000000000, 0.0337586700000000, 0.0125688600000000 ] - [ 0.0001002200000000, -0.0003047400000000, -0.0000521400000000 ] - [ 0.0000446200000000, -0.0000900000000000, 0.0000330300000000 ] - [ -0.0001879500000000, -0.0001131400000000, -0.0000294200000000 ] - [ -0.0001433700000000, 0.0000735300000000, 0.0006458200000000 ] - [ 0.0002943600000000, 0.0000028500000000, 0.0000090000000000 ] - [ -0.0010061800000000, 0.0028229100000000, 0.0034748600000000 ] - [ -0.0000745900000000, -0.0000842200000000, -0.0001329200000000 ]- atom: 72 displacement: [ -0.0099999995909515, 0.0000000000000000, 0.0000028602394792 ] forces: - [ 0.0062993000000000, 0.0000951300000000, 0.0001438900000000 ] - [ -0.0032672900000000, -0.0004798400000000, -0.0003347400000000 ] - [ 0.0002297400000000, 0.0004024600000000, 0.0010401000000000 ] - [ -0.0000143400000000, 0.0001240500000000, -0.0003075600000000 ] - [ -0.0000924500000000, 0.0003368000000000, 0.0004609900000000 ] - [ -0.0014508400000000, 0.0003198500000000, -0.0001709000000000 ] - [ 0.0006637900000000, -0.0001078300000000, 0.0000815600000000 ] - [ 0.0002604200000000, -0.0002920500000000, 0.0000246800000000 ] - [ 0.0000037200000000, -0.0001199300000000, 0.0003833000000000 ] - [ 0.0001054200000000, 0.0004792300000000, 0.0005023500000000 ] - [ 0.0009059400000000, 0.0003211000000000, -0.0000621500000000 ] - [ 0.0008884700000000, -0.0001345500000000, -0.0000650000000000 ] - [ 0.0002105900000000, 0.0021090600000000, 0.0016076100000000 ] - [ 0.0065532200000000, -0.0001736300000000, 0.0005064100000000 ] - [ -0.0010652500000000, -0.0000324100000000, -0.0001056700000000 ] - [ -0.0002052800000000, -0.0008168000000000, 0.0035080400000000 ] - [ -0.0001408700000000, -0.0001454200000000, -0.0000883000000000 ] - [ -0.0000538300000000, -0.0001215600000000, -0.0000441000000000 ] - [ 0.0003405600000000, -0.0022578900000000, 0.0024919400000000 ] - [ 0.0001757100000000, -0.0023546900000000, -0.0022090100000000 ] - [ 0.0000685100000000, 0.0005816700000000, 0.0000166700000000 ] - [ -0.0000614100000000, -0.0000280200000000, 0.0000103500000000 ] - [ 0.0000080900000000, -0.0000124300000000, 0.0000046700000000 ] - [ 0.0000339500000000, -0.0003310000000000, 0.0000943300000000 ] - [ 0.0000997900000000, -0.0000392600000000, -0.0000047600000000 ] - [ -0.0001098700000000, -0.0001332000000000, -0.0001356400000000 ] - [ -0.0000152700000000, -0.0001226900000000, -0.0000851400000000 ] - [ -0.0000015900000000, -0.0003003700000000, 0.0003882400000000 ] - [ 0.0001399500000000, 0.0000921800000000, 0.0000358700000000 ] - [ 0.0001983400000000, -0.0002014200000000, -0.0000970700000000 ] - [ -0.0001180300000000, -0.0000882700000000, 0.0000041100000000 ] - [ 0.0001013300000000, -0.0000419600000000, 0.0000475400000000 ] - [ 0.0062090400000000, 0.0001312000000000, -0.0005451000000000 ] - [ 0.0002129100000000, -0.0014321700000000, -0.0031954200000000 ] - [ -0.0000241500000000, 0.0011812100000000, -0.0030612100000000 ] - [ -0.0000126900000000, -0.0003346100000000, -0.0007053100000000 ] - [ -0.0014191100000000, 0.0002291000000000, -0.0001761700000000 ] - [ -0.0093397000000000, 0.0000231400000000, 0.0002465000000000 ] - [ 0.0004850700000000, 0.0024904100000000, -0.0022436100000000 ] - [ 0.0000045900000000, 0.0000403400000000, -0.0001005300000000 ] - [ 0.0000506300000000, -0.0001744400000000, -0.0002762800000000 ] - [ -0.0083666800000000, 0.0003440500000000, 0.0003497400000000 ] - [ -0.0000858600000000, -0.0002008600000000, -0.0000541000000000 ] - [ 0.0000007800000000, -0.0002566600000000, 0.0000219100000000 ] - [ 0.0065433500000000, -0.0001571400000000, 0.0004836800000000 ] - [ 0.0001609000000000, 0.0008341100000000, 0.0034658400000000 ] - [ -0.0070239500000000, -0.0000218200000000, 0.0001211400000000 ] - [ -0.0001252200000000, 0.0001198900000000, -0.0006113200000000 ] - [ 0.0008000000000000, 0.0000399400000000, 0.0002757300000000 ] - [ 0.0000723900000000, -0.0003114300000000, -0.0002199300000000 ] - [ -0.0004917000000000, -0.0000569800000000, -0.0002561000000000 ] - [ -0.0002341400000000, 0.0000490000000000, 0.0003820600000000 ] - [ 0.0004744200000000, -0.0001346300000000, -0.0004249300000000 ] - [ 0.0005446900000000, 0.0001131400000000, 0.0002141600000000 ] - [ -0.1738004300000000, -0.0152696200000000, 0.0146300500000000 ] - [ -0.0001981400000000, -0.0001470800000000, -0.0001303500000000 ] - [ -0.0005707000000000, -0.0003243900000000, -0.0006024600000000 ] - [ -0.0001644500000000, -0.0001162200000000, -0.0005221300000000 ] - [ 0.0000555900000000, -0.0002215200000000, -0.0001206800000000 ] - [ 0.0005136200000000, -0.0004865800000000, -0.0005018200000000 ] - [ 0.0155636200000000, -0.0019689900000000, 0.0204948100000000 ] - [ 0.0177083700000000, 0.0012348300000000, -0.0203928200000000 ] - [ -0.1882770700000000, 0.0060458400000000, -0.0077935200000000 ] - [ 0.0003997800000000, -0.0000854400000000, -0.0002489700000000 ] - [ -0.0001632300000000, -0.0000216400000000, -0.0000488800000000 ] - [ -0.0001484000000000, 0.0000994800000000, -0.0001012300000000 ] - [ -0.0129544800000000, 0.0327169400000000, 0.0140924600000000 ] - [ 0.0005233000000000, 0.0028888300000000, 0.0037818500000000 ] - [ 0.0000272500000000, -0.0002885200000000, 0.0001422700000000 ] - [ 0.0000040900000000, -0.0000821800000000, -0.0001044200000000 ] - [ -0.0204707300000000, 0.0298537800000000, -0.0126734000000000 ] - [ 0.4359280500000000, 0.0112342500000000, -0.0140756600000000 ] - [ -0.0000704200000000, -0.0002018800000000, 0.0002730300000000 ] - [ 0.0003024800000000, 0.0002502800000000, -0.0006075200000000 ] - [ -0.0027680100000000, 0.0006127700000000, 0.0001500200000000 ] - [ -0.0006668000000000, -0.0002139300000000, -0.0002110100000000 ] - [ -0.0160185000000000, -0.0315862000000000, 0.0172180500000000 ] - [ 0.0002693100000000, -0.0001036800000000, 0.0002511000000000 ] - [ 0.0029316400000000, 0.0000874000000000, -0.0001648300000000 ] - [ -0.0024281500000000, 0.0004416100000000, -0.0002658700000000 ] - [ 0.0001647700000000, -0.0001350000000000, 0.0006890400000000 ] - [ 0.0004347100000000, 0.0031396800000000, -0.0019753900000000 ] - [ 0.0026017900000000, 0.0001147400000000, -0.0000463100000000 ] - [ 0.0000106400000000, -0.0001031600000000, -0.0002023400000000 ] - [ 0.0000610300000000, -0.0001307400000000, 0.0000844400000000 ] - [ -0.0000487000000000, 0.0001977400000000, -0.0003535900000000 ] - [ -0.0001776100000000, -0.0001308000000000, 0.0000711900000000 ] - [ -0.0001652500000000, -0.0002227200000000, -0.0001162200000000 ] - [ 0.0000468500000000, -0.0028894500000000, 0.0024746400000000 ] - [ 0.0022003800000000, 0.0007792300000000, -0.0004033300000000 ] - [ -0.0140741300000000, 0.0019491900000000, -0.0464679300000000 ] - [ -0.0001297300000000, 0.0000530900000000, 0.0002535700000000 ] - [ -0.0021927500000000, 0.0001419300000000, -0.0001805800000000 ] - [ 0.0001866300000000, -0.0005395200000000, 0.0006374300000000 ] - [ -0.0000904300000000, -0.0003955600000000, 0.0003639900000000 ] - [ 0.0026175200000000, -0.0003923700000000, -0.0001823600000000 ] - [ -0.0122897200000000, -0.0002149700000000, 0.0477374000000000 ] - [ 0.0001752100000000, -0.0001431300000000, 0.0006705300000000 ] - [ 0.0000950300000000, 0.0002014300000000, -0.0002222500000000 ] - [ -0.0000029700000000, -0.0001493400000000, 0.0001112200000000 ] - [ -0.0019977400000000, 0.0004009100000000, -0.0009071000000000 ] - [ 0.0002399700000000, 0.0001962900000000, 0.0001181300000000 ] - [ -0.0227754700000000, 0.0004387300000000, -0.0006464300000000 ] - [ 0.0000662600000000, 0.0002174500000000, 0.0009225300000000 ] - [ -0.0107324600000000, -0.0329954000000000, -0.0124991500000000 ] - [ -0.0000592700000000, -0.0002300500000000, -0.0000423900000000 ] - [ -0.0000405700000000, -0.0001183800000000, 0.0001337400000000 ] - [ 0.0003888300000000, 0.0000587800000000, 0.0000995400000000 ] - [ 0.0000491900000000, -0.0002992800000000, -0.0003768600000000 ] - [ -0.0002951000000000, 0.0001623300000000, 0.0001810300000000 ] - [ 0.0010632000000000, -0.0023336600000000, -0.0036652800000000 ] - [ 0.0000162000000000, -0.0000172500000000, -0.0000623100000000 ]- atom: 72 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001882200000000, 0.0002001700000000, 0.0000583000000000 ] - [ -0.0001947400000000, 0.0001319400000000, 0.0000224900000000 ] - [ 0.0001050000000000, -0.0000450400000000, 0.0000879600000000 ] - [ 0.0000033800000000, 0.0001306100000000, -0.0002312900000000 ] - [ 0.0000742600000000, -0.0003995800000000, -0.0002384900000000 ] - [ -0.0002262300000000, 0.0003196500000000, -0.0000693800000000 ] - [ -0.0000107200000000, -0.0001154700000000, 0.0002522500000000 ] - [ 0.0002513500000000, -0.0002950300000000, 0.0000518000000000 ] - [ 0.0000060500000000, 0.0000920300000000, 0.0000183200000000 ] - [ 0.0000463800000000, 0.0001468800000000, 0.0000779400000000 ] - [ -0.0000214500000000, 0.0002291100000000, -0.0000279300000000 ] - [ -0.0000252800000000, 0.0000300000000000, -0.0000073800000000 ] - [ -0.0006187900000000, -0.0001168100000000, -0.0002195000000000 ] - [ -0.0001203200000000, -0.0003194700000000, 0.0001826100000000 ] - [ 0.0001189400000000, 0.0001275700000000, -0.0002613900000000 ] - [ 0.0002491800000000, -0.0000106000000000, 0.0000161200000000 ] - [ 0.0000813600000000, -0.0000552100000000, -0.0000936600000000 ] - [ -0.0000186100000000, -0.0001237800000000, -0.0000162700000000 ] - [ 0.0005729200000000, -0.0004170200000000, 0.0005220400000000 ] - [ 0.0008722000000000, -0.0000110400000000, -0.0003260000000000 ] - [ 0.0000422100000000, 0.0001067200000000, 0.0002153300000000 ] - [ -0.0000645300000000, -0.0000843900000000, 0.0000784300000000 ] - [ 0.0000004200000000, 0.0000185300000000, 0.0000093600000000 ] - [ -0.0000484500000000, 0.0001068900000000, 0.0000121600000000 ] - [ -0.0000063000000000, 0.0000361800000000, -0.0000294600000000 ] - [ -0.0000586200000000, -0.0001309000000000, -0.0001085000000000 ] - [ -0.0000262100000000, -0.0001834300000000, -0.0000006000000000 ] - [ 0.0000444300000000, -0.0001663200000000, 0.0002272600000000 ] - [ 0.0000870800000000, 0.0000924100000000, 0.0000799100000000 ] - [ -0.0000043200000000, -0.0002749100000000, -0.0000732900000000 ] - [ -0.0001335700000000, -0.0000243300000000, 0.0000624500000000 ] - [ 0.0000481000000000, -0.0000386300000000, 0.0000966700000000 ] - [ -0.0002009700000000, 0.0003537700000000, -0.0005578000000000 ] - [ 0.0000533000000000, -0.0002039700000000, 0.0000124100000000 ] - [ -0.0000848000000000, -0.0001971100000000, 0.0001843600000000 ] - [ -0.0000379600000000, 0.0000731700000000, -0.0000871800000000 ] - [ 0.0001601400000000, -0.0001232400000000, 0.0001483900000000 ] - [ 0.0002593300000000, -0.0007360200000000, -0.0007006900000000 ] - [ -0.0002851800000000, -0.0004965700000000, 0.0004854500000000 ] - [ 0.0001284300000000, -0.0000167900000000, -0.0000474600000000 ] - [ -0.0000131800000000, -0.0001619800000000, -0.0002335400000000 ] - [ 0.0004606600000000, 0.0086107100000000, -0.0006747400000000 ] - [ 0.0000221400000000, -0.0001882700000000, 0.0000028100000000 ] - [ 0.0000053500000000, -0.0002840900000000, 0.0000364400000000 ] - [ -0.0001902300000000, -0.0003737500000000, 0.0000068500000000 ] - [ -0.0001170700000000, -0.0001952200000000, -0.0004627400000000 ] - [ 0.0001666100000000, 0.0021662600000000, -0.0011623000000000 ] - [ -0.0000714600000000, -0.0001285200000000, -0.0000454100000000 ] - [ 0.0002147300000000, -0.0002022000000000, 0.0001035400000000 ] - [ 0.0001562200000000, -0.0001284700000000, 0.0001227300000000 ] - [ -0.0002867200000000, -0.0001087200000000, -0.0001799900000000 ] - [ -0.0001197600000000, 0.0000080800000000, 0.0000004900000000 ] - [ -0.0000136200000000, -0.0020678200000000, -0.0000878100000000 ] - [ 0.0002360100000000, 0.0000972000000000, 0.0001384200000000 ] - [ 0.0136707200000000, 0.0372712500000000, -0.0021431400000000 ] - [ -0.0001991800000000, -0.0001090600000000, -0.0001983100000000 ] - [ 0.0001787800000000, 0.0000164800000000, -0.0000640900000000 ] - [ 0.0000806900000000, -0.0000964200000000, -0.0002335000000000 ] - [ 0.0001302800000000, -0.0002292200000000, -0.0001171000000000 ] - [ -0.0001359700000000, -0.0003454600000000, 0.0001367900000000 ] - [ -0.0005691200000000, 0.0001912100000000, -0.0001955900000000 ] - [ -0.0005525200000000, -0.0001626000000000, 0.0012019700000000 ] - [ -0.0046987400000000, 0.0355615700000000, -0.0013096800000000 ] - [ -0.0003434600000000, -0.0007340100000000, 0.0003481800000000 ] - [ -0.0000908500000000, 0.0000173300000000, -0.0000279100000000 ] - [ -0.0000741300000000, 0.0000905500000000, -0.0000583900000000 ] - [ -0.0114729700000000, -0.0049890800000000, -0.0022318400000000 ] - [ -0.0000852800000000, -0.0001206700000000, -0.0002329800000000 ] - [ -0.0000252800000000, -0.0002536200000000, 0.0001069000000000 ] - [ 0.0000453400000000, -0.0001346900000000, -0.0001179000000000 ] - [ -0.0079093700000000, -0.0094477700000000, 0.0050175100000000 ] - [ -0.0119820500000000, -0.0573884500000000, 0.0030273400000000 ] - [ -0.0001218800000000, -0.0002203000000000, 0.0002666700000000 ] - [ -0.0001092300000000, -0.0001249200000000, -0.0000710300000000 ] - [ 0.0000972200000000, 0.0000328800000000, -0.0001113800000000 ] - [ 0.0001269800000000, -0.0001897400000000, -0.0002341700000000 ] - [ 0.0095053600000000, -0.0060403400000000, 0.0034119600000000 ] - [ -0.0000628400000000, -0.0000943900000000, 0.0002265900000000 ] - [ -0.0000263400000000, 0.0006366900000000, 0.0005327800000000 ] - [ 0.0000801300000000, 0.0004729300000000, -0.0001636100000000 ] - [ -0.0008588000000000, 0.0002183600000000, 0.0002148700000000 ] - [ 0.0000078300000000, 0.0000630400000000, 0.0001069000000000 ] - [ -0.0001911300000000, 0.0042803800000000, 0.0023479300000000 ] - [ -0.0000915100000000, -0.0000990900000000, 0.0000210800000000 ] - [ 0.0000642400000000, -0.0000970100000000, 0.0001161600000000 ] - [ 0.0001543700000000, 0.0001117200000000, -0.0002250300000000 ] - [ 0.0001397800000000, 0.0000807000000000, -0.0000688000000000 ] - [ -0.0000768400000000, -0.0002163000000000, -0.0000835300000000 ] - [ -0.0000335900000000, 0.0003886700000000, -0.0000003800000000 ] - [ 0.0005768300000000, 0.0026505500000000, -0.0012424300000000 ] - [ 0.0004493900000000, -0.0017968400000000, 0.0002122200000000 ] - [ -0.0001226700000000, -0.0000070200000000, 0.0000675700000000 ] - [ 0.0000666300000000, 0.0000500600000000, 0.0002628200000000 ] - [ 0.0001836300000000, -0.0002624600000000, -0.0001838600000000 ] - [ 0.0003485600000000, -0.0000832300000000, -0.0002556200000000 ] - [ -0.0000830600000000, 0.0006349100000000, -0.0008078400000000 ] - [ 0.0004327000000000, -0.0020404000000000, -0.0029261600000000 ] - [ 0.0000640200000000, -0.0002172100000000, 0.0000293300000000 ] - [ 0.0000083600000000, 0.0002742000000000, 0.0004668800000000 ] - [ -0.0000061400000000, -0.0000908300000000, -0.0000945900000000 ] - [ 0.0002334200000000, -0.0001847100000000, 0.0000408200000000 ] - [ -0.0000710700000000, 0.0003885800000000, 0.0001131900000000 ] - [ 0.0008857100000000, 0.0003094300000000, -0.0003048700000000 ] - [ 0.0000131000000000, -0.0000011700000000, 0.0001354700000000 ] - [ 0.0109918900000000, -0.0022540600000000, -0.0024256000000000 ] - [ 0.0000289800000000, -0.0002566400000000, -0.0000486900000000 ] - [ 0.0000127300000000, -0.0000982200000000, 0.0001037000000000 ] - [ 0.0000727400000000, -0.0000580300000000, 0.0000720100000000 ] - [ -0.0000706300000000, -0.0000874800000000, 0.0001896100000000 ] - [ 0.0000161300000000, 0.0000533600000000, 0.0000932500000000 ] - [ 0.0001504300000000, 0.0001170200000000, 0.0000346400000000 ] - [ -0.0000311500000000, -0.0000336200000000, -0.0000976300000000 ]- atom: 72 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0002087800000000, 0.0000531700000000, 0.0003809400000000 ] - [ -0.0003258200000000, -0.0007254900000000, -0.0001740200000000 ] - [ 0.0004227600000000, 0.0006425300000000, 0.0000461400000000 ] - [ -0.0000258800000000, 0.0001201400000000, -0.0002031100000000 ] - [ -0.0001007400000000, 0.0001477500000000, -0.0001984900000000 ] - [ -0.0002966000000000, 0.0002763100000000, -0.0000700300000000 ] - [ 0.0000332800000000, -0.0001343700000000, 0.0001818900000000 ] - [ 0.0002715400000000, -0.0003014000000000, 0.0000875700000000 ] - [ 0.0000314200000000, 0.0001305100000000, -0.0000101000000000 ] - [ 0.0000707800000000, 0.0001326500000000, 0.0001172200000000 ] - [ 0.0000203800000000, 0.0003365300000000, -0.0000501500000000 ] - [ 0.0000302500000000, -0.0000631000000000, -0.0000195800000000 ] - [ 0.0003677900000000, 0.0001701700000000, 0.0003403500000000 ] - [ 0.0002974100000000, 0.0001174300000000, -0.0000132700000000 ] - [ 0.0000064400000000, 0.0000361600000000, 0.0001010200000000 ] - [ -0.0004318100000000, 0.0002078600000000, -0.0001841800000000 ] - [ 0.0000447600000000, -0.0001100800000000, -0.0000687200000000 ] - [ -0.0000176500000000, -0.0000962600000000, 0.0000083500000000 ] - [ -0.0006893000000000, 0.0005784200000000, -0.0003576700000000 ] - [ -0.0008842200000000, 0.0005783300000000, 0.0004085400000000 ] - [ -0.0000210900000000, 0.0002180600000000, 0.0002494200000000 ] - [ -0.0000610100000000, -0.0000812600000000, 0.0000839300000000 ] - [ -0.0000039800000000, 0.0000137400000000, 0.0000188700000000 ] - [ 0.0000160600000000, 0.0002670900000000, -0.0000011500000000 ] - [ 0.0000087300000000, -0.0000029600000000, 0.0000025900000000 ] - [ -0.0000593900000000, -0.0001496700000000, -0.0000862000000000 ] - [ -0.0000070100000000, -0.0001882800000000, 0.0000113900000000 ] - [ -0.0000220500000000, -0.0001639900000000, 0.0002411800000000 ] - [ 0.0000890300000000, 0.0001060100000000, 0.0000894000000000 ] - [ 0.0000030100000000, -0.0002877700000000, -0.0000038000000000 ] - [ -0.0001238700000000, -0.0000290200000000, 0.0000564100000000 ] - [ 0.0000496400000000, -0.0000491900000000, 0.0001034800000000 ] - [ 0.0001778900000000, -0.0000187600000000, 0.0000947300000000 ] - [ 0.0000673500000000, -0.0000770400000000, 0.0001931000000000 ] - [ 0.0001242800000000, -0.0000227500000000, -0.0001713600000000 ] - [ -0.0000605400000000, 0.0000155400000000, -0.0001133500000000 ] - [ 0.0000977700000000, 0.0001792900000000, -0.0002640800000000 ] - [ -0.0003797800000000, 0.0012663000000000, 0.0005328200000000 ] - [ 0.0002750100000000, 0.0004625200000000, -0.0004564400000000 ] - [ 0.0001295200000000, -0.0000385000000000, -0.0000736300000000 ] - [ -0.0000088500000000, -0.0001630800000000, -0.0002324900000000 ] - [ -0.0005058000000000, -0.0090780400000000, 0.0007828200000000 ] - [ 0.0000118600000000, -0.0001844400000000, -0.0000133800000000 ] - [ -0.0000032600000000, -0.0002798300000000, 0.0000410200000000 ] - [ 0.0002864400000000, 0.0004600700000000, 0.0001874400000000 ] - [ 0.0000176400000000, 0.0001148900000000, 0.0002747800000000 ] - [ -0.0001326100000000, -0.0018029500000000, 0.0011400100000000 ] - [ -0.0001051900000000, -0.0000678800000000, -0.0001231700000000 ] - [ 0.0002381500000000, -0.0000358400000000, 0.0001755000000000 ] - [ 0.0004282000000000, -0.0000952000000000, 0.0002231700000000 ] - [ -0.0002908400000000, -0.0001112200000000, -0.0001642200000000 ] - [ -0.0000216900000000, 0.0001862900000000, 0.0004799100000000 ] - [ 0.0001922300000000, 0.0024963600000000, -0.0001726100000000 ] - [ 0.0003426100000000, 0.0001276400000000, 0.0002058200000000 ] - [ -0.0149868000000000, -0.0372171900000000, 0.0019128800000000 ] - [ -0.0002537400000000, -0.0001240500000000, -0.0000754700000000 ] - [ -0.0006423200000000, 0.0002147500000000, -0.0002112900000000 ] - [ 0.0000651000000000, -0.0000957200000000, -0.0002385700000000 ] - [ 0.0000626300000000, -0.0001897000000000, -0.0001558000000000 ] - [ -0.0000567700000000, -0.0000751700000000, 0.0001334300000000 ] - [ 0.0003719100000000, 0.0002328500000000, 0.0004531400000000 ] - [ 0.0010115900000000, 0.0004000400000000, -0.0009380700000000 ] - [ 0.0056780100000000, -0.0354409000000000, 0.0009089100000000 ] - [ 0.0002030400000000, 0.0005397300000000, 0.0001216100000000 ] - [ -0.0001087800000000, 0.0000332900000000, -0.0000343100000000 ] - [ -0.0000559500000000, 0.0001088000000000, -0.0001407000000000 ] - [ 0.0111968800000000, 0.0048656100000000, 0.0021537000000000 ] - [ 0.0000810900000000, 0.0003378400000000, 0.0000676300000000 ] - [ -0.0000193000000000, -0.0002685900000000, 0.0000798500000000 ] - [ 0.0000335000000000, -0.0000988200000000, -0.0001415900000000 ] - [ 0.0076942700000000, 0.0095527200000000, -0.0048974100000000 ] - [ 0.0117875300000000, 0.0582309900000000, -0.0028893200000000 ] - [ -0.0000328400000000, -0.0002202300000000, 0.0002584700000000 ] - [ 0.0001048300000000, -0.0000866500000000, -0.0000987900000000 ] - [ -0.0000170900000000, 0.0002077500000000, -0.0001419900000000 ] - [ 0.0000300200000000, -0.0002516700000000, -0.0002918800000000 ] - [ -0.0095037300000000, 0.0066657600000000, -0.0035457900000000 ] - [ -0.0000456200000000, -0.0000977000000000, 0.0002351400000000 ] - [ 0.0002254700000000, -0.0005800000000000, -0.0004659300000000 ] - [ -0.0000748000000000, -0.0002621900000000, 0.0003349600000000 ] - [ 0.0007253800000000, 0.0002228200000000, 0.0003136100000000 ] - [ 0.0000435800000000, 0.0000279100000000, 0.0000835700000000 ] - [ 0.0001335000000000, -0.0042235400000000, -0.0025681400000000 ] - [ -0.0000389800000000, -0.0000996400000000, -0.0002215200000000 ] - [ 0.0000670300000000, -0.0001014300000000, 0.0000801700000000 ] - [ -0.0000494600000000, 0.0000814200000000, -0.0002377300000000 ] - [ 0.0000932000000000, -0.0000543900000000, -0.0000791700000000 ] - [ -0.0000513500000000, -0.0002200300000000, 0.0000141400000000 ] - [ -0.0000432400000000, -0.0001594000000000, 0.0002598600000000 ] - [ -0.0006260200000000, -0.0021102500000000, 0.0014232400000000 ] - [ -0.0003089700000000, 0.0022312200000000, -0.0000672500000000 ] - [ -0.0001118400000000, -0.0000227800000000, 0.0000784200000000 ] - [ -0.0000626700000000, -0.0002147200000000, -0.0000784400000000 ] - [ -0.0001419700000000, -0.0002607400000000, -0.0000033200000000 ] - [ -0.0002511500000000, -0.0001091300000000, -0.0002064200000000 ] - [ 0.0000440300000000, -0.0011754000000000, 0.0009093600000000 ] - [ -0.0003052700000000, 0.0022392600000000, 0.0031932400000000 ] - [ 0.0000654500000000, -0.0002190500000000, 0.0000417900000000 ] - [ -0.0001414400000000, 0.0001608200000000, -0.0005553300000000 ] - [ 0.0000031500000000, -0.0000707800000000, -0.0000916400000000 ] - [ -0.0000002200000000, 0.0001618300000000, -0.0001904700000000 ] - [ 0.0000315400000000, 0.0001395100000000, -0.0000255300000000 ] - [ -0.0007292500000000, 0.0001318500000000, -0.0002186800000000 ] - [ 0.0000396500000000, -0.0000947500000000, 0.0000536000000000 ] - [ -0.0108943000000000, 0.0023420700000000, 0.0022058500000000 ] - [ 0.0000119000000000, -0.0002751900000000, -0.0000420000000000 ] - [ -0.0000088200000000, -0.0001151400000000, 0.0000627700000000 ] - [ 0.0001268100000000, 0.0000096900000000, -0.0000108700000000 ] - [ -0.0000065600000000, -0.0001450000000000, 0.0000694500000000 ] - [ -0.0000123600000000, 0.0001089300000000, 0.0000933700000000 ] - [ -0.0001095600000000, 0.0004112400000000, -0.0002199800000000 ] - [ -0.0000219900000000, -0.0000621700000000, -0.0000933900000000 ]- atom: 72 displacement: [ -0.0000185648863736, 0.0000000000000000, 0.0099999827672348 ] forces: - [ 0.0002798000000000, 0.0001001900000000, 0.0001088000000000 ] - [ -0.0002695800000000, -0.0013772300000000, 0.0020900800000000 ] - [ 0.0001850100000000, 0.0004028000000000, 0.0005184400000000 ] - [ 0.0000208100000000, 0.0001570000000000, -0.0005073800000000 ] - [ -0.0000534300000000, -0.0001480600000000, 0.0002391600000000 ] - [ -0.0003216200000000, 0.0003811500000000, -0.0004752600000000 ] - [ 0.0000498800000000, -0.0001005800000000, -0.0001039300000000 ] - [ 0.0002393900000000, -0.0002661400000000, -0.0002306900000000 ] - [ -0.0000061900000000, 0.0000738500000000, -0.0002194700000000 ] - [ 0.0000297800000000, 0.0001801600000000, -0.0001312800000000 ] - [ 0.0000392000000000, 0.0003611100000000, -0.0001347000000000 ] - [ 0.0000426000000000, -0.0000887100000000, -0.0001220900000000 ] - [ -0.0005297400000000, -0.0001099300000000, 0.0000322000000000 ] - [ 0.0002848200000000, 0.0000700500000000, 0.0002344500000000 ] - [ 0.0000271900000000, 0.0000023000000000, -0.0003800600000000 ] - [ -0.0008779400000000, 0.0007606600000000, 0.0002093800000000 ] - [ 0.0000238000000000, -0.0005527400000000, -0.0003103100000000 ] - [ -0.0000344600000000, -0.0001775500000000, -0.0002354500000000 ] - [ -0.0007140500000000, 0.0002520200000000, 0.0001567600000000 ] - [ 0.0006028800000000, -0.0001010500000000, -0.0000803200000000 ] - [ 0.0000606600000000, 0.0002170700000000, 0.0000887300000000 ] - [ -0.0000743100000000, -0.0000118600000000, -0.0001042400000000 ] - [ 0.0000137100000000, 0.0000906100000000, -0.0001679500000000 ] - [ -0.0001021500000000, 0.0001868700000000, -0.0000932200000000 ] - [ -0.0000026600000000, -0.0001500700000000, 0.0000403100000000 ] - [ -0.0000732000000000, -0.0000736600000000, -0.0003096700000000 ] - [ 0.0000009500000000, -0.0000734200000000, -0.0000324100000000 ] - [ -0.0000405600000000, -0.0000564500000000, 0.0002851400000000 ] - [ 0.0001053800000000, 0.0000412600000000, -0.0001301900000000 ] - [ 0.0000114700000000, -0.0001329200000000, 0.0000492100000000 ] - [ -0.0001266000000000, -0.0001297200000000, -0.0001135900000000 ] - [ 0.0000635000000000, 0.0000045100000000, -0.0001294700000000 ] - [ 0.0002498000000000, 0.0002216300000000, 0.0004137000000000 ] - [ 0.0003887000000000, -0.0005418100000000, 0.0003336000000000 ] - [ 0.0005041700000000, 0.0004191000000000, 0.0002616100000000 ] - [ -0.0000112100000000, 0.0000418100000000, -0.0003671000000000 ] - [ 0.0000831700000000, 0.0001709700000000, -0.0004480500000000 ] - [ -0.0002236700000000, -0.0007949300000000, 0.0024429600000000 ] - [ 0.0004089000000000, 0.0001590100000000, 0.0000085600000000 ] - [ 0.0000959800000000, 0.0004999400000000, -0.0005227500000000 ] - [ -0.0000021400000000, -0.0001946400000000, -0.0004109500000000 ] - [ -0.0002651800000000, -0.0007446500000000, 0.0026998200000000 ] - [ -0.0000041000000000, -0.0002656400000000, -0.0003057800000000 ] - [ 0.0000035400000000, -0.0003452300000000, -0.0001244400000000 ] - [ 0.0002263700000000, -0.0001120600000000, 0.0002078800000000 ] - [ -0.0005011600000000, -0.0005004300000000, 0.0002875900000000 ] - [ -0.0002586300000000, -0.0007118300000000, -0.0007834100000000 ] - [ -0.0000567700000000, -0.0001218500000000, -0.0003555000000000 ] - [ 0.0003262100000000, 0.0000830400000000, -0.0005925300000000 ] - [ 0.0005761600000000, -0.0001318100000000, 0.0003276000000000 ] - [ -0.0002328400000000, -0.0000314400000000, -0.0009756600000000 ] - [ -0.0001872300000000, 0.0000988900000000, -0.0004862200000000 ] - [ 0.0009251000000000, -0.0002699300000000, -0.0008830300000000 ] - [ 0.0002310900000000, 0.0001622300000000, -0.0002149200000000 ] - [ -0.0311799000000000, -0.0028953400000000, 0.0367529100000000 ] - [ -0.0002739600000000, -0.0001684900000000, -0.0000867500000000 ] - [ 0.0003667000000000, 0.0000732100000000, -0.0004063500000000 ] - [ -0.0000201100000000, -0.0000547600000000, -0.0010964900000000 ] - [ 0.0000596500000000, -0.0002266800000000, -0.0002919800000000 ] - [ -0.0001386200000000, -0.0000081900000000, -0.0006488600000000 ] - [ 0.0006727700000000, -0.0001863500000000, -0.0015513800000000 ] - [ 0.0001753600000000, -0.0003484500000000, -0.0028205600000000 ] - [ 0.0201469900000000, -0.0010155900000000, 0.0339571400000000 ] - [ 0.0003368100000000, 0.0001649600000000, 0.0000203600000000 ] - [ -0.0001842000000000, -0.0002951900000000, 0.0003549200000000 ] - [ -0.0002142200000000, 0.0000835400000000, 0.0004654300000000 ] - [ -0.0074049400000000, -0.0019690800000000, -0.0044080100000000 ] - [ 0.0003233100000000, 0.0007464400000000, 0.0003441100000000 ] - [ -0.0000499500000000, -0.0002830900000000, 0.0003152600000000 ] - [ 0.0000357400000000, 0.0000001000000000, 0.0000124400000000 ] - [ 0.0044762800000000, 0.0061562900000000, -0.0058304100000000 ] - [ 0.0159250100000000, 0.0031450100000000, -0.0513586800000000 ] - [ -0.0000047900000000, -0.0002431300000000, 0.0003785400000000 ] - [ 0.0011011300000000, 0.0000974800000000, 0.0006075800000000 ] - [ -0.0000599800000000, 0.0000185900000000, -0.0003525800000000 ] - [ 0.0000036500000000, -0.0002280100000000, -0.0002802800000000 ] - [ -0.0068251100000000, 0.0038401100000000, -0.0045938400000000 ] - [ -0.0000741100000000, -0.0000944600000000, 0.0004031000000000 ] - [ 0.0003452500000000, 0.0004439800000000, -0.0003334800000000 ] - [ -0.0000644100000000, 0.0003031100000000, -0.0001980800000000 ] - [ -0.0012882600000000, 0.0002037400000000, 0.0001050300000000 ] - [ 0.0002109400000000, -0.0000814600000000, 0.0003137500000000 ] - [ -0.0000049000000000, 0.0023667300000000, 0.0004046200000000 ] - [ -0.0000418700000000, -0.0001425200000000, -0.0002670700000000 ] - [ -0.0002929700000000, -0.0000822500000000, 0.0014117200000000 ] - [ 0.0001751700000000, 0.0000929500000000, -0.0000732800000000 ] - [ 0.0001542200000000, 0.0001569300000000, 0.0002514800000000 ] - [ 0.0000284700000000, -0.0002544200000000, 0.0001829800000000 ] - [ -0.0001327300000000, -0.0003096600000000, 0.0004405700000000 ] - [ 0.0000862100000000, -0.0004454900000000, 0.0000349600000000 ] - [ 0.0079544100000000, 0.0004814800000000, -0.0035917500000000 ] - [ -0.0000034700000000, 0.0002469500000000, 0.0004742600000000 ] - [ -0.0001207800000000, -0.0001424600000000, -0.0002423600000000 ] - [ -0.0010842100000000, -0.0000468300000000, 0.0008331500000000 ] - [ -0.0005510000000000, -0.0001227500000000, -0.0004451500000000 ] - [ 0.0001195500000000, -0.0014502800000000, -0.0000827000000000 ] - [ -0.0095276400000000, -0.0002537900000000, 0.0000775500000000 ] - [ 0.0004282100000000, -0.0001535500000000, 0.0014319400000000 ] - [ 0.0002819100000000, 0.0002600300000000, 0.0012049100000000 ] - [ 0.0000749400000000, -0.0004117500000000, 0.0002638200000000 ] - [ -0.0000513700000000, 0.0001253900000000, -0.0005253300000000 ] - [ -0.0001028500000000, 0.0004927600000000, 0.0004478300000000 ] - [ -0.0004704700000000, 0.0002337400000000, 0.0006640100000000 ] - [ -0.0005189600000000, -0.0002090500000000, 0.0005344200000000 ] - [ 0.0056079200000000, -0.0041925400000000, -0.0058303200000000 ] - [ -0.0000841900000000, 0.0000200900000000, 0.0003741200000000 ] - [ 0.0000108500000000, -0.0001623800000000, 0.0002750500000000 ] - [ 0.0000551300000000, -0.0002464300000000, 0.0004140500000000 ] - [ 0.0005284800000000, -0.0002874100000000, 0.0004192200000000 ] - [ 0.0000262900000000, -0.0000909700000000, 0.0003837900000000 ] - [ -0.0000434200000000, 0.0005287900000000, 0.0001074300000000 ] - [ -0.0000285200000000, -0.0000014600000000, 0.0000992700000000 ]- atom: 72 displacement: [ 0.0000185648863736, 0.0000000000000000, -0.0099999827672348 ] forces: - [ -0.0002622900000000, 0.0001525400000000, 0.0003540700000000 ] - [ -0.0002566700000000, 0.0007679400000000, -0.0020424900000000 ] - [ 0.0003361800000000, 0.0001831800000000, -0.0003895400000000 ] - [ -0.0000417200000000, 0.0000985400000000, 0.0000701800000000 ] - [ 0.0000360400000000, -0.0001082600000000, -0.0006822900000000 ] - [ -0.0001994400000000, 0.0002080500000000, 0.0003436900000000 ] - [ -0.0000286300000000, -0.0001519300000000, 0.0005344900000000 ] - [ 0.0002797300000000, -0.0003188300000000, 0.0003518100000000 ] - [ 0.0000453300000000, 0.0001476400000000, 0.0002409000000000 ] - [ 0.0000880600000000, 0.0001016600000000, 0.0003182500000000 ] - [ -0.0000415000000000, 0.0002045700000000, 0.0000628500000000 ] - [ -0.0000464000000000, 0.0000480600000000, 0.0000984000000000 ] - [ 0.0002781000000000, 0.0001566100000000, 0.0000877100000000 ] - [ -0.0001131400000000, -0.0002666400000000, -0.0000615200000000 ] - [ 0.0000919300000000, 0.0001610800000000, 0.0002175800000000 ] - [ 0.0006996000000000, -0.0005579600000000, -0.0003766300000000 ] - [ 0.0000940700000000, 0.0003804600000000, 0.0001422800000000 ] - [ -0.0000029500000000, -0.0000457200000000, 0.0002105300000000 ] - [ 0.0006024000000000, -0.0000884900000000, 0.0000091100000000 ] - [ -0.0006090100000000, 0.0006640300000000, 0.0001542800000000 ] - [ -0.0000398000000000, 0.0001222600000000, 0.0003803100000000 ] - [ -0.0000460400000000, -0.0001517500000000, 0.0002678300000000 ] - [ -0.0000096300000000, -0.0000528100000000, 0.0001906600000000 ] - [ 0.0000699500000000, 0.0001922000000000, 0.0001048600000000 ] - [ 0.0000002500000000, 0.0001865700000000, -0.0000669100000000 ] - [ -0.0000430200000000, -0.0002050600000000, 0.0001191500000000 ] - [ -0.0000345300000000, -0.0003041600000000, 0.0000421800000000 ] - [ 0.0000617600000000, -0.0002808200000000, 0.0001834400000000 ] - [ 0.0000683000000000, 0.0001512000000000, 0.0002956200000000 ] - [ -0.0000136600000000, -0.0004280500000000, -0.0001244900000000 ] - [ -0.0001305200000000, 0.0000823300000000, 0.0002291900000000 ] - [ 0.0000316100000000, -0.0000821100000000, 0.0003135000000000 ] - [ -0.0002718000000000, 0.0001195400000000, -0.0008724700000000 ] - [ -0.0002682300000000, 0.0002486600000000, -0.0001384000000000 ] - [ -0.0004622200000000, -0.0006325200000000, -0.0002371700000000 ] - [ -0.0000846500000000, 0.0000364300000000, 0.0001785300000000 ] - [ 0.0001733400000000, -0.0001226600000000, 0.0003373700000000 ] - [ 0.0001079700000000, 0.0010833100000000, -0.0026330300000000 ] - [ -0.0004096000000000, -0.0001952800000000, 0.0000173800000000 ] - [ 0.0001612700000000, -0.0005416300000000, 0.0003999800000000 ] - [ -0.0000199100000000, -0.0001418300000000, -0.0000587300000000 ] - [ 0.0002311800000000, 0.0009800100000000, -0.0027359200000000 ] - [ 0.0000374600000000, -0.0001133800000000, 0.0002905500000000 ] - [ -0.0000014600000000, -0.0002168700000000, 0.0001958400000000 ] - [ -0.0001331900000000, 0.0001862000000000, -0.0000180100000000 ] - [ 0.0004018700000000, 0.0004135600000000, -0.0004725600000000 ] - [ 0.0002898500000000, 0.0010217700000000, 0.0005599800000000 ] - [ -0.0001188100000000, -0.0000728500000000, 0.0001846600000000 ] - [ 0.0001381800000000, -0.0003347300000000, 0.0008688400000000 ] - [ -0.0000103400000000, -0.0000944500000000, 0.0000153600000000 ] - [ -0.0003231300000000, -0.0001973400000000, 0.0006320400000000 ] - [ 0.0000597500000000, 0.0001001300000000, 0.0009630200000000 ] - [ -0.0007493200000000, 0.0006965800000000, 0.0006257100000000 ] - [ 0.0003258500000000, 0.0000744500000000, 0.0005468200000000 ] - [ 0.0299179600000000, 0.0030675500000000, -0.0368854900000000 ] - [ -0.0001634600000000, -0.0000660600000000, -0.0001736700000000 ] - [ -0.0008149800000000, 0.0001564800000000, 0.0001435200000000 ] - [ 0.0001491700000000, -0.0001412600000000, 0.0006112200000000 ] - [ 0.0001204600000000, -0.0001939800000000, 0.0000283200000000 ] - [ -0.0000697200000000, -0.0004242000000000, 0.0009274400000000 ] - [ -0.0008703200000000, 0.0006118100000000, 0.0018008500000000 ] - [ 0.0002802500000000, 0.0005873700000000, 0.0030767200000000 ] - [ -0.0191539900000000, 0.0011963700000000, -0.0343760400000000 ] - [ -0.0004752700000000, -0.0003660100000000, 0.0004665700000000 ] - [ -0.0000242200000000, 0.0003438900000000, -0.0004289600000000 ] - [ 0.0000841000000000, 0.0001270400000000, -0.0006580000000000 ] - [ 0.0071931800000000, 0.0018630800000000, 0.0042863000000000 ] - [ -0.0003245100000000, -0.0005324800000000, -0.0004899100000000 ] - [ 0.0000050400000000, -0.0002415300000000, -0.0001428300000000 ] - [ 0.0000503600000000, -0.0002230700000000, -0.0002857100000000 ] - [ -0.0047237000000000, -0.0060687400000000, 0.0059170900000000 ] - [ -0.0161876500000000, -0.0028205900000000, 0.0516611400000000 ] - [ -0.0001497200000000, -0.0002026200000000, 0.0001389100000000 ] - [ -0.0011185000000000, -0.0002851800000000, -0.0007866000000000 ] - [ 0.0001469900000000, 0.0002176100000000, 0.0000804300000000 ] - [ 0.0001499300000000, -0.0002163000000000, -0.0002391100000000 ] - [ 0.0068685400000000, -0.0032377400000000, 0.0044314200000000 ] - [ -0.0000337000000000, -0.0001022900000000, 0.0000506400000000 ] - [ -0.0001329400000000, -0.0004126000000000, 0.0004082800000000 ] - [ 0.0000618400000000, -0.0001011400000000, 0.0003560400000000 ] - [ 0.0011489700000000, 0.0002420700000000, 0.0004124600000000 ] - [ -0.0001516000000000, 0.0001664100000000, -0.0000986300000000 ] - [ -0.0000617900000000, -0.0022961700000000, -0.0006228000000000 ] - [ -0.0000883100000000, -0.0000689600000000, 0.0000673000000000 ] - [ 0.0004169100000000, -0.0001271200000000, -0.0012053600000000 ] - [ -0.0000698600000000, 0.0001049000000000, -0.0003813600000000 ] - [ 0.0000756200000000, -0.0001237400000000, -0.0003832400000000 ] - [ -0.0001555200000000, -0.0001870500000000, -0.0002455600000000 ] - [ 0.0000507000000000, 0.0005283600000000, -0.0001598400000000 ] - [ -0.0001302500000000, 0.0009742600000000, 0.0001319200000000 ] - [ -0.0079205300000000, -0.0000442000000000, 0.0037190900000000 ] - [ -0.0002267300000000, -0.0002797700000000, -0.0003367700000000 ] - [ 0.0001137100000000, -0.0000272700000000, 0.0004380500000000 ] - [ 0.0011426900000000, -0.0004608500000000, -0.0010234500000000 ] - [ 0.0006449400000000, -0.0000739100000000, -0.0000085200000000 ] - [ -0.0001546300000000, 0.0009160200000000, 0.0001836700000000 ] - [ 0.0097953800000000, 0.0004698300000000, 0.0001640200000000 ] - [ -0.0002921800000000, -0.0002883100000000, -0.0013514500000000 ] - [ -0.0004143600000000, 0.0001828100000000, -0.0012813100000000 ] - [ -0.0000666100000000, 0.0002436900000000, -0.0004615300000000 ] - [ 0.0002830700000000, -0.0001560000000000, 0.0003874100000000 ] - [ 0.0000604500000000, 0.0000414300000000, -0.0003458100000000 ] - [ 0.0006239600000000, 0.0002136900000000, -0.0011822100000000 ] - [ 0.0005874800000000, 0.0001127600000000, -0.0003316500000000 ] - [ -0.0056003000000000, 0.0043105300000000, 0.0055905300000000 ] - [ 0.0001251700000000, -0.0005489700000000, -0.0004713800000000 ] - [ -0.0000082900000000, -0.0000471400000000, -0.0001134800000000 ] - [ 0.0001526100000000, 0.0001972700000000, -0.0003343400000000 ] - [ -0.0006173100000000, 0.0000581100000000, -0.0001500400000000 ] - [ -0.0000345500000000, 0.0002576500000000, -0.0001795700000000 ] - [ 0.0000840000000000, 0.0000040400000000, -0.0002650200000000 ] - [ -0.0000363700000000, -0.0000932400000000, -0.0003085000000000 ]- atom: 73 displacement: [ 0.0099999995909515, 0.0000000000000000, -0.0000028602394792 ] forces: - [ -0.0000665700000000, 0.0001992200000000, 0.0004099100000000 ] - [ -0.0002908400000000, -0.0002415800000000, -0.0001384100000000 ] - [ -0.0004114200000000, 0.0002765800000000, -0.0000468600000000 ] - [ 0.0029950700000000, 0.0001058200000000, -0.0002959700000000 ] - [ 0.0012242200000000, -0.0001308500000000, -0.0002765300000000 ] - [ -0.0002513300000000, 0.0002854600000000, 0.0000131800000000 ] - [ -0.0000176400000000, -0.0001684000000000, -0.0000377800000000 ] - [ -0.0058096500000000, -0.0004435100000000, 0.0003236100000000 ] - [ -0.0000810800000000, 0.0001018400000000, 0.0000073300000000 ] - [ -0.0001084000000000, 0.0001321900000000, 0.0001026000000000 ] - [ -0.0000083900000000, 0.0003230700000000, -0.0000624500000000 ] - [ 0.0000053600000000, -0.0000653900000000, -0.0000410700000000 ] - [ -0.0001770200000000, 0.0000359700000000, 0.0000513000000000 ] - [ 0.0000055400000000, -0.0003883600000000, 0.0006355700000000 ] - [ 0.0000593100000000, 0.0001298600000000, -0.0000647600000000 ] - [ 0.0011071000000000, 0.0001264200000000, -0.0000642300000000 ] - [ 0.0000838600000000, -0.0023681100000000, -0.0021624500000000 ] - [ -0.0003610000000000, -0.0010753800000000, 0.0032370200000000 ] - [ -0.0001077900000000, 0.0000724900000000, 0.0000823200000000 ] - [ 0.0000554400000000, 0.0002917700000000, 0.0000309300000000 ] - [ 0.0001093500000000, 0.0001658700000000, 0.0002257100000000 ] - [ -0.0062984900000000, -0.0002921800000000, 0.0003080400000000 ] - [ 0.0078591900000000, -0.0005401300000000, 0.0003770900000000 ] - [ -0.0000816000000000, 0.0001860400000000, 0.0000010400000000 ] - [ 0.0002925900000000, 0.0024359100000000, 0.0020454200000000 ] - [ 0.0000278100000000, 0.0013242200000000, 0.0030365000000000 ] - [ -0.0061980700000000, -0.0002448800000000, -0.0002441100000000 ] - [ 0.0071040700000000, -0.0000797500000000, 0.0002207000000000 ] - [ -0.0002537000000000, 0.0008125200000000, -0.0032789200000000 ] - [ -0.0003122900000000, -0.0026873300000000, 0.0014699700000000 ] - [ -0.0063454300000000, 0.0000074100000000, 0.0002274300000000 ] - [ 0.0000027800000000, -0.0013331300000000, -0.0031077600000000 ] - [ -0.0000106800000000, 0.0001357100000000, -0.0002104300000000 ] - [ -0.0009157800000000, -0.0001580000000000, 0.0001056600000000 ] - [ -0.0009346600000000, -0.0001070200000000, 0.0000162800000000 ] - [ 0.0001126900000000, 0.0000516900000000, -0.0001009200000000 ] - [ 0.0001331600000000, -0.0000111300000000, -0.0000431400000000 ] - [ -0.0000702500000000, -0.0001450400000000, -0.0005334500000000 ] - [ 0.0000318400000000, -0.0000220200000000, 0.0000190900000000 ] - [ -0.0000213400000000, 0.0028969000000000, -0.0021484400000000 ] - [ -0.0001553100000000, 0.0026989000000000, -0.0006909400000000 ] - [ -0.0000709100000000, 0.0004734200000000, -0.0005338400000000 ] - [ -0.0002091300000000, -0.0030058900000000, -0.0008812000000000 ] - [ 0.0095471300000000, -0.0002861200000000, 0.0002047600000000 ] - [ 0.0000266300000000, 0.0002656300000000, 0.0005649300000000 ] - [ 0.0011451200000000, -0.0001084600000000, -0.0001023500000000 ] - [ 0.0000187200000000, 0.0002067200000000, -0.0000151800000000 ] - [ 0.0000969500000000, -0.0001137500000000, -0.0000981400000000 ] - [ 0.0008642400000000, -0.0001171000000000, 0.0007669200000000 ] - [ -0.0152140700000000, 0.0006271100000000, 0.0212118000000000 ] - [ 0.0012866700000000, -0.0001447300000000, 0.0009607500000000 ] - [ -0.0005626000000000, -0.0000101300000000, 0.0005976700000000 ] - [ 0.0003085600000000, 0.0001799400000000, -0.0000514500000000 ] - [ -0.0003522100000000, 0.0003884900000000, -0.0002901400000000 ] - [ -0.0003517300000000, 0.0001022800000000, -0.0002211200000000 ] - [ 0.1809696300000000, -0.0170840200000000, -0.0056602600000000 ] - [ 0.0000096000000000, 0.0001436300000000, -0.0002632100000000 ] - [ -0.0013573100000000, -0.0001228400000000, 0.0005440500000000 ] - [ 0.1687929000000000, 0.0163505400000000, 0.0138337100000000 ] - [ -0.0012478000000000, -0.0002544800000000, 0.0009522300000000 ] - [ -0.0001025400000000, 0.0002055400000000, 0.0001437500000000 ] - [ 0.0002108200000000, 0.0001142400000000, 0.0001358100000000 ] - [ 0.0001108000000000, 0.0000873500000000, -0.0003049600000000 ] - [ -0.0173453800000000, -0.0007847200000000, -0.0200305900000000 ] - [ 0.0017514800000000, 0.0003487500000000, 0.0001450500000000 ] - [ -0.0001174200000000, 0.0000644200000000, 0.0002653300000000 ] - [ 0.0002444300000000, -0.0000193000000000, -0.0000394500000000 ] - [ -0.0000464700000000, 0.0001030000000000, -0.0000689500000000 ] - [ 0.0206659000000000, -0.0290494600000000, -0.0158879100000000 ] - [ 0.0092336900000000, -0.0340442900000000, 0.0114784100000000 ] - [ -0.0004517900000000, 0.0000665600000000, -0.0000218700000000 ] - [ -0.0000637500000000, 0.0000534200000000, 0.0003042500000000 ] - [ -0.4259649300000000, 0.0016387100000000, -0.0119301800000000 ] - [ -0.0017582100000000, 0.0006986900000000, -0.0000690500000000 ] - [ 0.0000667200000000, 0.0001149900000000, -0.0002256000000000 ] - [ 0.0004694800000000, -0.0010348300000000, -0.0010786800000000 ] - [ 0.0004074100000000, 0.0002712000000000, -0.0000843200000000 ] - [ -0.0003158300000000, 0.0006911000000000, -0.0009868400000000 ] - [ -0.0001151800000000, 0.0027173600000000, 0.0026051500000000 ] - [ 0.0000818700000000, 0.0001422000000000, 0.0000027100000000 ] - [ -0.0004145800000000, 0.0002175600000000, 0.0002490700000000 ] - [ 0.0000722900000000, 0.0000578300000000, 0.0001003500000000 ] - [ -0.0000182500000000, 0.0000569000000000, 0.0000340300000000 ] - [ 0.0148196000000000, 0.0006381900000000, -0.0480620100000000 ] - [ -0.0013409000000000, 0.0000325300000000, -0.0002327300000000 ] - [ 0.0007980100000000, 0.0000503900000000, -0.0002989300000000 ] - [ -0.0000638000000000, 0.0002142500000000, 0.0004426200000000 ] - [ 0.0127990900000000, -0.0029178700000000, 0.0474465700000000 ] - [ -0.0000893200000000, 0.0001117800000000, 0.0001470300000000 ] - [ 0.0000205500000000, 0.0002494100000000, 0.0001957100000000 ] - [ 0.0000516200000000, 0.0002194100000000, 0.0000018800000000 ] - [ -0.0024202300000000, -0.0012606000000000, 0.0006755100000000 ] - [ -0.0006581100000000, -0.0029216900000000, -0.0021695800000000 ] - [ 0.0019653000000000, 0.0007480100000000, 0.0001384900000000 ] - [ 0.0229046500000000, 0.0007121900000000, -0.0007020100000000 ] - [ -0.0003107600000000, -0.0030134100000000, 0.0033987100000000 ] - [ 0.0000822300000000, 0.0001051500000000, 0.0000691300000000 ] - [ 0.0014938400000000, -0.0003250500000000, -0.0002385300000000 ] - [ -0.0001346300000000, 0.0002455000000000, -0.0003207800000000 ] - [ -0.0021195600000000, 0.0003616400000000, 0.0002434100000000 ] - [ -0.0008128500000000, 0.0029130200000000, -0.0037354900000000 ] - [ -0.0001415400000000, 0.0000089200000000, -0.0005566900000000 ] - [ 0.0000904100000000, 0.0002327700000000, -0.0002604900000000 ] - [ 0.0023545400000000, -0.0005426400000000, 0.0003347300000000 ] - [ -0.0003509400000000, 0.0000942000000000, -0.0001367100000000 ] - [ 0.0016167800000000, -0.0008902700000000, 0.0000507600000000 ] - [ 0.0195411200000000, 0.0293887300000000, 0.0180086400000000 ] - [ -0.0001348000000000, 0.0002756800000000, -0.0006544800000000 ] - [ -0.0024131800000000, -0.0002852500000000, 0.0003518400000000 ] - [ -0.0000807000000000, -0.0001596700000000, 0.0008723000000000 ] - [ 0.0000670100000000, 0.0002519500000000, -0.0000908900000000 ] - [ 0.0102450400000000, 0.0329616200000000, -0.0105715100000000 ]- atom: 73 displacement: [ -0.0099999995909515, 0.0000000000000000, 0.0000028602394792 ] forces: - [ 0.0000915000000000, 0.0000528000000000, 0.0000280400000000 ] - [ -0.0002406900000000, -0.0003488800000000, 0.0000024600000000 ] - [ 0.0009329100000000, 0.0003151800000000, 0.0001784000000000 ] - [ -0.0030233400000000, 0.0001371400000000, -0.0001357200000000 ] - [ -0.0012466500000000, -0.0001219900000000, -0.0001626200000000 ] - [ -0.0002732300000000, 0.0003066300000000, -0.0001502300000000 ] - [ 0.0000454600000000, -0.0000836900000000, 0.0004708300000000 ] - [ 0.0063276700000000, -0.0001338800000000, -0.0002273700000000 ] - [ 0.0001190800000000, 0.0001176700000000, 0.0000048300000000 ] - [ 0.0002278200000000, 0.0001528900000000, 0.0000698200000000 ] - [ 0.0000047400000000, 0.0002400800000000, -0.0000120900000000 ] - [ -0.0000063500000000, 0.0000327400000000, 0.0000153800000000 ] - [ -0.0000802500000000, 0.0000203900000000, 0.0000734400000000 ] - [ 0.0001688200000000, 0.0001955500000000, -0.0004651900000000 ] - [ 0.0000532000000000, 0.0000456900000000, -0.0001039800000000 ] - [ -0.0012823300000000, 0.0000663500000000, -0.0001150300000000 ] - [ 0.0000015400000000, 0.0021851300000000, 0.0019901200000000 ] - [ 0.0003089500000000, 0.0008493900000000, -0.0032681500000000 ] - [ -0.0000063900000000, 0.0000994300000000, 0.0000864800000000 ] - [ -0.0000529900000000, 0.0002728100000000, 0.0000451100000000 ] - [ -0.0000876500000000, 0.0001632100000000, 0.0002449500000000 ] - [ 0.0061838000000000, 0.0001027400000000, -0.0001370200000000 ] - [ -0.0078404800000000, 0.0006519400000000, -0.0003181400000000 ] - [ 0.0000483300000000, 0.0001854500000000, 0.0000102600000000 ] - [ -0.0002615900000000, -0.0024166200000000, -0.0020759500000000 ] - [ -0.0001677100000000, -0.0016031900000000, -0.0032280000000000 ] - [ 0.0061671700000000, -0.0001295600000000, 0.0002838000000000 ] - [ -0.0070788900000000, -0.0002133300000000, 0.0001213900000000 ] - [ 0.0004444700000000, -0.0006231100000000, 0.0034362000000000 ] - [ 0.0003348800000000, 0.0021307000000000, -0.0015465600000000 ] - [ 0.0060896100000000, -0.0000622300000000, -0.0000954900000000 ] - [ 0.0001139900000000, 0.0012564600000000, 0.0032843900000000 ] - [ -0.0000123600000000, 0.0001934900000000, -0.0002567500000000 ] - [ 0.0010354500000000, -0.0001292700000000, 0.0000811100000000 ] - [ 0.0009709500000000, -0.0001089900000000, 0.0000008900000000 ] - [ -0.0002110000000000, 0.0000410100000000, -0.0000808300000000 ] - [ 0.0001226900000000, 0.0000659400000000, -0.0000808800000000 ] - [ -0.0000514100000000, 0.0004302900000000, 0.0003500900000000 ] - [ -0.0000311700000000, -0.0000125900000000, 0.0000072900000000 ] - [ 0.0002394300000000, -0.0029374600000000, 0.0020265700000000 ] - [ 0.0001412700000000, -0.0030258400000000, 0.0002258600000000 ] - [ 0.0000340200000000, -0.0002556200000000, 0.0005200300000000 ] - [ 0.0002317500000000, 0.0026412300000000, 0.0008800300000000 ] - [ -0.0095477100000000, -0.0003847400000000, -0.0000906900000000 ] - [ 0.0000704300000000, -0.0001839900000000, -0.0003751700000000 ] - [ -0.0012426300000000, 0.0000279000000000, -0.0000949800000000 ] - [ 0.0000137200000000, 0.0001643000000000, 0.0000044500000000 ] - [ -0.0002739100000000, -0.0000875600000000, -0.0000688400000000 ] - [ -0.0003638500000000, -0.0000688900000000, -0.0004242000000000 ] - [ 0.0157423900000000, -0.0008599500000000, -0.0208456500000000 ] - [ -0.0019146900000000, -0.0000635200000000, -0.0013008100000000 ] - [ 0.0004136900000000, 0.0002042100000000, -0.0001283700000000 ] - [ -0.0001216400000000, 0.0002360300000000, -0.0002115400000000 ] - [ 0.0009303600000000, -0.0001571100000000, 0.0006320300000000 ] - [ -0.0002261800000000, 0.0001229500000000, -0.0001239400000000 ] - [ -0.1704053300000000, 0.0157354000000000, 0.0047085200000000 ] - [ -0.0004556400000000, 0.0000887000000000, -0.0000013300000000 ] - [ 0.0014954400000000, -0.0000759500000000, -0.0010124500000000 ] - [ -0.1794875200000000, -0.0177313600000000, -0.0155225500000000 ] - [ 0.0010837000000000, -0.0001644100000000, -0.0006709000000000 ] - [ -0.0000855700000000, 0.0002097900000000, 0.0001204000000000 ] - [ 0.0002341000000000, 0.0001172300000000, 0.0001313100000000 ] - [ 0.0000342000000000, 0.0001089800000000, -0.0001668600000000 ] - [ 0.0172700300000000, 0.0005830800000000, 0.0205266600000000 ] - [ -0.0019490500000000, -0.0002796100000000, -0.0002012500000000 ] - [ -0.0000127000000000, 0.0001382200000000, -0.0004629800000000 ] - [ -0.0004437000000000, -0.0000324700000000, -0.0000296800000000 ] - [ 0.0000452400000000, 0.0001126200000000, -0.0000919900000000 ] - [ -0.0208947000000000, 0.0290315300000000, 0.0163630900000000 ] - [ -0.0092195600000000, 0.0332273400000000, -0.0115093100000000 ] - [ 0.0002186300000000, -0.0000380300000000, 0.0001645500000000 ] - [ -0.0000450300000000, 0.0001421200000000, 0.0001522800000000 ] - [ 0.4257480200000000, 0.0000938400000000, 0.0143356400000000 ] - [ 0.0017582100000000, -0.0008952100000000, -0.0000908400000000 ] - [ 0.0000130800000000, 0.0001152400000000, -0.0000412200000000 ] - [ -0.0003746700000000, 0.0005886100000000, 0.0005491200000000 ] - [ -0.0003648700000000, 0.0002641100000000, -0.0000117300000000 ] - [ 0.0002441000000000, -0.0008915700000000, 0.0014525100000000 ] - [ 0.0003189000000000, -0.0026904400000000, -0.0025369800000000 ] - [ -0.0000818700000000, 0.0000743600000000, 0.0001573700000000 ] - [ 0.0002590500000000, 0.0002240100000000, 0.0002724300000000 ] - [ -0.0000161000000000, 0.0000411000000000, 0.0000978900000000 ] - [ -0.0000388000000000, 0.0000410400000000, -0.0002323700000000 ] - [ -0.0150496500000000, -0.0008093400000000, 0.0474235300000000 ] - [ 0.0014900700000000, -0.0002418500000000, 0.0003819400000000 ] - [ -0.0006911200000000, 0.0001465900000000, -0.0001482200000000 ] - [ 0.0002758600000000, -0.0001814400000000, -0.0005912600000000 ] - [ -0.0127973300000000, 0.0025248400000000, -0.0479552600000000 ] - [ 0.0000088700000000, 0.0001192200000000, 0.0001194300000000 ] - [ -0.0000615100000000, 0.0002792100000000, -0.0000185800000000 ] - [ 0.0000771700000000, 0.0002175100000000, 0.0000673000000000 ] - [ 0.0021820500000000, 0.0012374800000000, -0.0005313500000000 ] - [ 0.0006483000000000, 0.0027290600000000, 0.0023616400000000 ] - [ -0.0019239400000000, -0.0012835100000000, -0.0003252200000000 ] - [ -0.0227957000000000, -0.0009022000000000, 0.0003089000000000 ] - [ 0.0002735200000000, 0.0025177900000000, -0.0033169900000000 ] - [ 0.0000483000000000, 0.0000975600000000, 0.0001249300000000 ] - [ -0.0013694700000000, -0.0001149700000000, 0.0002894600000000 ] - [ 0.0000029900000000, 0.0001916700000000, 0.0002487000000000 ] - [ 0.0021201800000000, -0.0005613800000000, -0.0004400200000000 ] - [ 0.0010279400000000, -0.0028998100000000, 0.0035853000000000 ] - [ 0.0001182100000000, 0.0005324900000000, 0.0006527400000000 ] - [ 0.0000643200000000, 0.0002084800000000, -0.0002600600000000 ] - [ -0.0023001400000000, 0.0004554200000000, -0.0001513800000000 ] - [ 0.0003490800000000, 0.0000704600000000, -0.0000540100000000 ] - [ -0.0015738600000000, 0.0003466400000000, -0.0001374900000000 ] - [ -0.0193854900000000, -0.0290810400000000, -0.0175266600000000 ] - [ 0.0003537000000000, -0.0003314800000000, 0.0007241300000000 ] - [ 0.0023172300000000, -0.0000595700000000, -0.0000660600000000 ] - [ 0.0000689600000000, 0.0003204900000000, -0.0006798900000000 ] - [ -0.0000262200000000, 0.0002750900000000, -0.0000866400000000 ] - [ -0.0102649000000000, -0.0336374100000000, 0.0106016300000000 ]- atom: 73 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000381200000000, 0.0000937400000000, 0.0002637300000000 ] - [ -0.0001415700000000, -0.0003032000000000, -0.0000146100000000 ] - [ 0.0002695600000000, 0.0003208500000000, 0.0000821300000000 ] - [ -0.0000520100000000, 0.0004883400000000, -0.0003984800000000 ] - [ -0.0000183600000000, -0.0000927400000000, -0.0002242000000000 ] - [ -0.0002356400000000, 0.0002932700000000, -0.0000637600000000 ] - [ -0.0000581600000000, -0.0001156800000000, 0.0002310400000000 ] - [ 0.0003396600000000, -0.0002846700000000, 0.0002560200000000 ] - [ 0.0000226100000000, 0.0001218800000000, 0.0000353600000000 ] - [ 0.0000616600000000, 0.0001477500000000, 0.0001370100000000 ] - [ -0.0000020000000000, 0.0002804000000000, -0.0000331900000000 ] - [ -0.0000055000000000, -0.0000163900000000, -0.0000034700000000 ] - [ -0.0001266500000000, 0.0000015500000000, 0.0000887600000000 ] - [ 0.0001145200000000, -0.0001184000000000, 0.0000813600000000 ] - [ 0.0000602900000000, 0.0000868500000000, -0.0000753000000000 ] - [ -0.0000967900000000, 0.0001260900000000, 0.0001277100000000 ] - [ -0.0002907100000000, -0.0004203400000000, -0.0005437600000000 ] - [ -0.0000071300000000, -0.0002364000000000, 0.0002102200000000 ] - [ -0.0000564700000000, 0.0001048400000000, 0.0001006700000000 ] - [ 0.0000003400000000, 0.0002824400000000, 0.0000397500000000 ] - [ 0.0000098100000000, 0.0001688100000000, 0.0002277400000000 ] - [ -0.0000156600000000, -0.0002559500000000, -0.0000331600000000 ] - [ 0.0005885300000000, 0.0055614200000000, 0.0005330700000000 ] - [ -0.0000156100000000, 0.0001910200000000, 0.0000189600000000 ] - [ 0.0004576200000000, -0.0004901400000000, -0.0005192400000000 ] - [ 0.0001525000000000, -0.0001430300000000, -0.0001018600000000 ] - [ 0.0000562800000000, -0.0001715400000000, 0.0003673100000000 ] - [ -0.0000801300000000, 0.0016018900000000, 0.0018442900000000 ] - [ 0.0000387100000000, -0.0000163100000000, 0.0003525400000000 ] - [ -0.0006878000000000, -0.0004465700000000, 0.0002899000000000 ] - [ -0.0000744700000000, -0.0002821600000000, -0.0000180400000000 ] - [ -0.0001314900000000, -0.0000440400000000, 0.0000551300000000 ] - [ -0.0000124900000000, 0.0001672100000000, -0.0002288300000000 ] - [ 0.0000722200000000, -0.0001654600000000, 0.0000698100000000 ] - [ 0.0000300400000000, -0.0000917500000000, -0.0000223700000000 ] - [ -0.0000476800000000, 0.0000712400000000, -0.0001218700000000 ] - [ 0.0001301700000000, 0.0000250000000000, -0.0000539000000000 ] - [ -0.0000781800000000, 0.0001557800000000, -0.0001132100000000 ] - [ 0.0000026300000000, -0.0000172500000000, 0.0000138800000000 ] - [ 0.0012484500000000, -0.0005858300000000, 0.0004340200000000 ] - [ -0.0000565400000000, -0.0004900900000000, -0.0001973300000000 ] - [ -0.0000422900000000, 0.0000791600000000, 0.0000042300000000 ] - [ 0.0000525000000000, -0.0004964800000000, -0.0000401300000000 ] - [ -0.0001093500000000, -0.0008598100000000, 0.0007127800000000 ] - [ 0.0000626700000000, 0.0000407800000000, 0.0000683300000000 ] - [ -0.0000664300000000, -0.0001078100000000, -0.0001322400000000 ] - [ 0.0000178700000000, 0.0001877200000000, -0.0000007500000000 ] - [ -0.0000853200000000, -0.0000838500000000, -0.0000966700000000 ] - [ -0.0000756500000000, -0.0029886300000000, -0.0007150300000000 ] - [ 0.0006095800000000, -0.0002667400000000, -0.0001974900000000 ] - [ -0.0000985200000000, -0.0010825800000000, -0.0004644600000000 ] - [ -0.0000784900000000, -0.0000231300000000, 0.0002534900000000 ] - [ 0.0001164900000000, 0.0002004100000000, -0.0001493400000000 ] - [ 0.0002916900000000, -0.0000003300000000, 0.0001954000000000 ] - [ -0.0002789600000000, 0.0000686900000000, -0.0001478700000000 ] - [ -0.0164050200000000, 0.0376147500000000, 0.0019212000000000 ] - [ -0.0002443300000000, 0.0001030200000000, -0.0001500300000000 ] - [ 0.0002706300000000, -0.0001185000000000, -0.0003996900000000 ] - [ 0.0140166100000000, 0.0369698000000000, 0.0026817200000000 ] - [ -0.0005298400000000, -0.0003643400000000, 0.0000084500000000 ] - [ -0.0001057600000000, 0.0002080200000000, 0.0001498300000000 ] - [ 0.0002136200000000, 0.0001111400000000, 0.0001490700000000 ] - [ 0.0000875100000000, 0.0000838400000000, -0.0002198300000000 ] - [ -0.0001285200000000, -0.0002682700000000, 0.0001697300000000 ] - [ -0.0001470800000000, -0.0001805800000000, -0.0000830700000000 ] - [ -0.0000600800000000, 0.0001101500000000, -0.0001069000000000 ] - [ -0.0001054000000000, 0.0000225800000000, -0.0000414200000000 ] - [ -0.0000064300000000, 0.0000946100000000, -0.0000758500000000 ] - [ -0.0079702100000000, -0.0087875000000000, -0.0050391600000000 ] - [ -0.0110916200000000, -0.0022654600000000, 0.0009290400000000 ] - [ -0.0001160100000000, 0.0000370900000000, 0.0000023100000000 ] - [ -0.0000665100000000, 0.0000991800000000, 0.0002081300000000 ] - [ 0.0006566400000000, -0.0565671400000000, -0.0032588500000000 ] - [ -0.0006255000000000, 0.0019398700000000, -0.0003740700000000 ] - [ 0.0000233400000000, 0.0001263800000000, -0.0001513800000000 ] - [ 0.0008973700000000, -0.0001546600000000, -0.0002268600000000 ] - [ 0.0000190500000000, 0.0003017400000000, -0.0000647200000000 ] - [ -0.0004158400000000, -0.0001014600000000, 0.0002428700000000 ] - [ 0.0001024600000000, 0.0001063300000000, 0.0000752800000000 ] - [ -0.0000614400000000, 0.0000663400000000, 0.0000431100000000 ] - [ -0.0000758200000000, 0.0002247100000000, 0.0002618100000000 ] - [ 0.0000346600000000, 0.0000600000000000, 0.0001077900000000 ] - [ -0.0000164500000000, 0.0000619100000000, -0.0001314800000000 ] - [ 0.0002858300000000, -0.0023644000000000, 0.0021962900000000 ] - [ -0.0001747100000000, 0.0002490300000000, 0.0008131600000000 ] - [ 0.0000630900000000, 0.0001310200000000, -0.0002442200000000 ] - [ 0.0002365900000000, 0.0000063200000000, -0.0000387100000000 ] - [ -0.0008832600000000, -0.0026175700000000, 0.0011895700000000 ] - [ -0.0000472400000000, 0.0001250800000000, 0.0001377700000000 ] - [ 0.0000283000000000, 0.0002251600000000, 0.0000355500000000 ] - [ 0.0000573300000000, 0.0002212000000000, 0.0000171500000000 ] - [ 0.0001455800000000, 0.0006815700000000, 0.0001151200000000 ] - [ -0.0000127900000000, 0.0000326300000000, 0.0001464600000000 ] - [ 0.0000718400000000, 0.0000479600000000, -0.0000377300000000 ] - [ -0.0001721500000000, -0.0000169900000000, -0.0001493000000000 ] - [ -0.0000787600000000, -0.0003508700000000, 0.0000402700000000 ] - [ 0.0000711000000000, 0.0001098000000000, 0.0000757500000000 ] - [ 0.0001126700000000, -0.0001112800000000, 0.0002438900000000 ] - [ -0.0000678800000000, 0.0002240300000000, -0.0000421700000000 ] - [ -0.0000895500000000, 0.0006949700000000, 0.0002810900000000 ] - [ 0.0002676600000000, -0.0002188900000000, -0.0000569200000000 ] - [ -0.0001102700000000, 0.0002699300000000, 0.0000703500000000 ] - [ 0.0000922700000000, 0.0002240200000000, -0.0002575800000000 ] - [ 0.0000168600000000, -0.0000902000000000, 0.0001460800000000 ] - [ 0.0000178700000000, 0.0001264300000000, -0.0000931600000000 ] - [ -0.0000263900000000, -0.0000750000000000, -0.0001416900000000 ] - [ 0.0087624500000000, -0.0088490600000000, -0.0045302500000000 ] - [ 0.0001138400000000, 0.0000377000000000, -0.0000438300000000 ] - [ 0.0005910500000000, 0.0039514200000000, -0.0007710300000000 ] - [ -0.0000160800000000, 0.0001368000000000, 0.0000203700000000 ] - [ 0.0000249400000000, 0.0002432000000000, -0.0000965700000000 ] - [ 0.0109275700000000, -0.0027473800000000, 0.0019631700000000 ]- atom: 73 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000563700000000, 0.0001632600000000, 0.0001824200000000 ] - [ -0.0003770000000000, -0.0002901100000000, -0.0001158200000000 ] - [ 0.0002538200000000, 0.0002862800000000, 0.0000986900000000 ] - [ 0.0000343700000000, -0.0002307900000000, -0.0000487200000000 ] - [ 0.0000025500000000, -0.0001618100000000, -0.0002313900000000 ] - [ -0.0002874400000000, 0.0002842600000000, -0.0000475400000000 ] - [ 0.0000744500000000, -0.0001400200000000, 0.0002076700000000 ] - [ 0.0001771700000000, -0.0003154600000000, -0.0001228900000000 ] - [ -0.0000066900000000, 0.0001208000000000, -0.0000032700000000 ] - [ 0.0000409100000000, 0.0001182200000000, 0.0000583000000000 ] - [ -0.0000018000000000, 0.0002851300000000, -0.0000294100000000 ] - [ -0.0000006600000000, -0.0000269400000000, -0.0000121900000000 ] - [ -0.0001297500000000, 0.0000140000000000, 0.0000578500000000 ] - [ 0.0000941600000000, -0.0001134100000000, 0.0000821600000000 ] - [ 0.0000607100000000, 0.0000547400000000, -0.0000702600000000 ] - [ -0.0000778000000000, 0.0000655400000000, -0.0002916200000000 ] - [ 0.0004193100000000, 0.0002622600000000, 0.0003806900000000 ] - [ -0.0000188800000000, 0.0000157800000000, -0.0002496600000000 ] - [ -0.0000620300000000, 0.0000834800000000, 0.0000845800000000 ] - [ 0.0000007100000000, 0.0002721400000000, 0.0000334400000000 ] - [ 0.0000123300000000, 0.0001786800000000, 0.0002489200000000 ] - [ -0.0001066800000000, 0.0001138400000000, 0.0001879500000000 ] - [ -0.0005284300000000, -0.0050038500000000, -0.0003920700000000 ] - [ -0.0000187300000000, 0.0001979700000000, 0.0000067100000000 ] - [ -0.0004731600000000, 0.0005321800000000, 0.0005015400000000 ] - [ -0.0002585700000000, -0.0001397900000000, -0.0000953800000000 ] - [ -0.0000901700000000, -0.0002185900000000, -0.0003615800000000 ] - [ 0.0000998900000000, -0.0019306600000000, -0.0013823900000000 ] - [ 0.0001230500000000, 0.0002023300000000, -0.0001793700000000 ] - [ 0.0006751500000000, -0.0001160200000000, -0.0003541700000000 ] - [ -0.0001847800000000, 0.0002305700000000, 0.0001175400000000 ] - [ 0.0002138100000000, -0.0000170700000000, 0.0001315000000000 ] - [ -0.0000066700000000, 0.0001700600000000, -0.0002386700000000 ] - [ 0.0000466800000000, -0.0000972800000000, 0.0001086900000000 ] - [ 0.0000095300000000, -0.0001519300000000, 0.0000178400000000 ] - [ -0.0000317100000000, -0.0000147400000000, -0.0000631300000000 ] - [ 0.0001294100000000, 0.0000421800000000, -0.0000287100000000 ] - [ -0.0000624200000000, 0.0001585300000000, -0.0000848100000000 ] - [ 0.0000062400000000, -0.0000133400000000, 0.0000123800000000 ] - [ -0.0009723300000000, 0.0005361700000000, -0.0005452100000000 ] - [ 0.0000319900000000, 0.0001439300000000, -0.0002750600000000 ] - [ -0.0000268300000000, 0.0001084200000000, -0.0000269500000000 ] - [ -0.0000143900000000, 0.0001098700000000, 0.0000262400000000 ] - [ 0.0001109100000000, 0.0000100100000000, -0.0005811900000000 ] - [ 0.0000519000000000, 0.0000570300000000, 0.0001135900000000 ] - [ -0.0000293400000000, 0.0000379600000000, -0.0000480400000000 ] - [ 0.0000166000000000, 0.0001887200000000, 0.0000035100000000 ] - [ -0.0000652900000000, -0.0000893900000000, -0.0000767300000000 ] - [ 0.0005289500000000, 0.0027419100000000, 0.0010057300000000 ] - [ 0.0000177800000000, 0.0000511100000000, 0.0005453500000000 ] - [ -0.0004793500000000, 0.0008592300000000, 0.0000873200000000 ] - [ -0.0000868100000000, 0.0002178200000000, 0.0002646600000000 ] - [ 0.0001119200000000, 0.0002022000000000, -0.0001465500000000 ] - [ 0.0002967300000000, 0.0002202800000000, 0.0001774600000000 ] - [ -0.0003265700000000, 0.0001489000000000, -0.0002154800000000 ] - [ 0.0152595100000000, -0.0376902200000000, -0.0021608500000000 ] - [ -0.0002358200000000, 0.0001152900000000, -0.0001601600000000 ] - [ -0.0001024200000000, -0.0000718400000000, -0.0001189500000000 ] - [ -0.0130887400000000, -0.0372193500000000, -0.0028684300000000 ] - [ 0.0003108200000000, -0.0000498300000000, 0.0002773800000000 ] - [ -0.0000866000000000, 0.0002267600000000, 0.0001321400000000 ] - [ 0.0002325000000000, 0.0001444700000000, 0.0001372400000000 ] - [ 0.0000751300000000, 0.0000971200000000, -0.0002615900000000 ] - [ -0.0000661500000000, 0.0000780600000000, 0.0002881900000000 ] - [ -0.0000762400000000, 0.0001862000000000, 0.0000132800000000 ] - [ -0.0000663900000000, 0.0001051900000000, -0.0000807900000000 ] - [ -0.0001166900000000, -0.0000484200000000, -0.0000346400000000 ] - [ -0.0000554900000000, 0.0001071600000000, -0.0001278800000000 ] - [ 0.0078640100000000, 0.0081959400000000, 0.0052113800000000 ] - [ 0.0113085700000000, 0.0020834000000000, -0.0012027700000000 ] - [ -0.0001005500000000, -0.0000212600000000, 0.0001401800000000 ] - [ -0.0000388200000000, 0.0000993400000000, 0.0002497700000000 ] - [ -0.0008832900000000, 0.0555854500000000, 0.0034235100000000 ] - [ 0.0006109500000000, -0.0021280500000000, 0.0001947900000000 ] - [ 0.0000468300000000, 0.0001321700000000, -0.0001322900000000 ] - [ -0.0007229600000000, -0.0002912900000000, -0.0002903100000000 ] - [ 0.0000133700000000, 0.0002693100000000, -0.0000373800000000 ] - [ 0.0002913700000000, -0.0000931500000000, 0.0002546700000000 ] - [ 0.0001119600000000, -0.0000753200000000, 0.0000032500000000 ] - [ 0.0000047600000000, 0.0000893200000000, 0.0000787400000000 ] - [ -0.0000788000000000, 0.0002221900000000, 0.0002562800000000 ] - [ 0.0000501800000000, 0.0000333900000000, 0.0000962800000000 ] - [ -0.0000357500000000, 0.0000631800000000, -0.0001004400000000 ] - [ -0.0004309300000000, 0.0021435600000000, -0.0023221300000000 ] - [ 0.0003014300000000, -0.0004620200000000, -0.0006131600000000 ] - [ 0.0000556800000000, 0.0000692500000000, -0.0002332300000000 ] - [ -0.0000206500000000, 0.0000054400000000, -0.0001069000000000 ] - [ 0.0007643200000000, 0.0021622300000000, -0.0011873300000000 ] - [ -0.0000624800000000, 0.0001004600000000, 0.0001289600000000 ] - [ -0.0000234200000000, 0.0002516700000000, 0.0000830200000000 ] - [ 0.0000608700000000, 0.0002239100000000, 0.0000344600000000 ] - [ -0.0003536600000000, -0.0006923400000000, 0.0000314400000000 ] - [ -0.0000060200000000, -0.0002270400000000, 0.0000399100000000 ] - [ -0.0000191300000000, -0.0005517600000000, -0.0001383400000000 ] - [ 0.0002814500000000, -0.0001883000000000, -0.0002385800000000 ] - [ 0.0000498000000000, -0.0001711000000000, 0.0000810800000000 ] - [ 0.0000680500000000, 0.0001070800000000, 0.0001070000000000 ] - [ 0.0000175600000000, -0.0003354800000000, -0.0001731800000000 ] - [ -0.0000675500000000, 0.0002233600000000, -0.0000326300000000 ] - [ 0.0001167300000000, -0.0008844200000000, -0.0004623800000000 ] - [ -0.0000465200000000, 0.0002018300000000, -0.0000803400000000 ] - [ 0.0000782500000000, 0.0002177000000000, 0.0000148200000000 ] - [ 0.0000643900000000, 0.0002218900000000, -0.0002543400000000 ] - [ 0.0000566200000000, -0.0000241900000000, 0.0000661100000000 ] - [ 0.0000056500000000, 0.0000657000000000, -0.0000974300000000 ] - [ 0.0000555300000000, -0.0004165900000000, 0.0000557600000000 ] - [ -0.0087053700000000, 0.0085839900000000, 0.0046952400000000 ] - [ 0.0001027900000000, -0.0000598400000000, 0.0001072000000000 ] - [ -0.0006847900000000, -0.0041600000000000, 0.0010197100000000 ] - [ -0.0000071500000000, 0.0000629900000000, 0.0001659100000000 ] - [ 0.0000711600000000, 0.0002799600000000, -0.0001200100000000 ] - [ -0.0111210100000000, 0.0026923300000000, -0.0021757100000000 ]- atom: 73 displacement: [ -0.0000185648863736, 0.0000000000000000, 0.0099999827672348 ] forces: - [ 0.0000573000000000, 0.0001154500000000, 0.0000428100000000 ] - [ -0.0003734100000000, -0.0003036000000000, -0.0002558200000000 ] - [ 0.0002318800000000, 0.0002613600000000, -0.0002146900000000 ] - [ 0.0002679500000000, 0.0006432900000000, 0.0012317900000000 ] - [ 0.0000398700000000, -0.0002028400000000, -0.0005706300000000 ] - [ -0.0002391000000000, 0.0003033700000000, -0.0000211300000000 ] - [ -0.0000598500000000, -0.0001608500000000, 0.0002757900000000 ] - [ 0.0001646100000000, -0.0002703700000000, -0.0000482000000000 ] - [ 0.0000206200000000, 0.0002890900000000, 0.0000766100000000 ] - [ 0.0000613600000000, -0.0000403200000000, 0.0001752500000000 ] - [ 0.0000039200000000, 0.0003810300000000, -0.0001522300000000 ] - [ 0.0000163300000000, -0.0001155500000000, -0.0001341800000000 ] - [ -0.0001402400000000, -0.0000089800000000, -0.0000540700000000 ] - [ 0.0001047100000000, -0.0000738100000000, -0.0001174200000000 ] - [ 0.0000471600000000, -0.0000124000000000, -0.0002197500000000 ] - [ -0.0000468400000000, 0.0002239300000000, -0.0004028800000000 ] - [ -0.0004680100000000, -0.0004110700000000, -0.0002140100000000 ] - [ 0.0003161900000000, 0.0002796200000000, 0.0002936800000000 ] - [ -0.0000689200000000, 0.0001167000000000, -0.0000256400000000 ] - [ 0.0000085300000000, 0.0002392400000000, -0.0000669500000000 ] - [ 0.0000237100000000, 0.0002612100000000, -0.0000457000000000 ] - [ -0.0002016300000000, -0.0002660600000000, 0.0001034600000000 ] - [ 0.0002857000000000, 0.0005180700000000, 0.0025604000000000 ] - [ -0.0000253000000000, 0.0002250200000000, -0.0001241600000000 ] - [ 0.0005745000000000, -0.0003048500000000, -0.0001142700000000 ] - [ 0.0003602200000000, -0.0005476200000000, 0.0002668100000000 ] - [ -0.0002091700000000, -0.0001947900000000, 0.0006031100000000 ] - [ 0.0002784000000000, 0.0010561400000000, -0.0013387300000000 ] - [ -0.0003283200000000, 0.0005377800000000, 0.0002570800000000 ] - [ 0.0004557700000000, -0.0000518700000000, -0.0001361500000000 ] - [ -0.0002413800000000, 0.0000967900000000, 0.0000653600000000 ] - [ -0.0003957800000000, -0.0005091000000000, 0.0003040800000000 ] - [ -0.0000050400000000, 0.0001351300000000, -0.0003412300000000 ] - [ 0.0000263900000000, -0.0002575200000000, -0.0000177600000000 ] - [ -0.0000171500000000, -0.0000141800000000, -0.0001106400000000 ] - [ -0.0000272500000000, -0.0005640600000000, -0.0003790100000000 ] - [ 0.0001198800000000, 0.0000990300000000, -0.0001675700000000 ] - [ -0.0000758400000000, 0.0001092000000000, -0.0003137500000000 ] - [ 0.0000146600000000, 0.0000200400000000, -0.0000995300000000 ] - [ -0.0004510300000000, 0.0004049700000000, -0.0001602700000000 ] - [ 0.0000163200000000, -0.0001186500000000, -0.0000432800000000 ] - [ -0.0000370100000000, 0.0001444000000000, -0.0002233000000000 ] - [ -0.0000939600000000, -0.0002365300000000, 0.0001011300000000 ] - [ 0.0001540300000000, 0.0009806900000000, 0.0024898300000000 ] - [ 0.0000619500000000, 0.0000252800000000, -0.0001133500000000 ] - [ 0.0000003800000000, -0.0001451200000000, -0.0003755100000000 ] - [ 0.0000113700000000, 0.0001631600000000, -0.0000907900000000 ] - [ -0.0000801500000000, 0.0003656400000000, -0.0002590300000000 ] - [ 0.0007338900000000, 0.0004935100000000, 0.0019181300000000 ] - [ -0.0003736700000000, 0.0004480800000000, -0.0018108500000000 ] - [ 0.0002442000000000, -0.0005237000000000, 0.0013467000000000 ] - [ -0.0000735800000000, 0.0002340400000000, -0.0003857100000000 ] - [ 0.0000627600000000, 0.0001191400000000, -0.0007708600000000 ] - [ 0.0003516800000000, -0.0000095100000000, -0.0004358200000000 ] - [ -0.0002797000000000, 0.0000781700000000, -0.0006042400000000 ] - [ -0.0196595200000000, 0.0019786900000000, 0.0342961300000000 ] - [ -0.0001199500000000, 0.0000591000000000, -0.0007820500000000 ] - [ 0.0002016900000000, -0.0000501100000000, 0.0003663700000000 ] - [ 0.0273032300000000, 0.0025470300000000, 0.0361683200000000 ] - [ 0.0003610200000000, -0.0000601900000000, 0.0005660600000000 ] - [ -0.0000906200000000, 0.0002973000000000, -0.0002499100000000 ] - [ 0.0002591000000000, 0.0001916500000000, -0.0002681600000000 ] - [ 0.0000376500000000, 0.0000749500000000, -0.0006743700000000 ] - [ 0.0000385800000000, 0.0004188800000000, -0.0025914300000000 ] - [ -0.0000446600000000, 0.0001702200000000, -0.0003510100000000 ] - [ -0.0003494700000000, 0.0001178100000000, 0.0009810400000000 ] - [ -0.0001357300000000, 0.0001344600000000, 0.0002148800000000 ] - [ 0.0000444900000000, 0.0003027600000000, 0.0000923800000000 ] - [ -0.0047502600000000, -0.0063252800000000, -0.0059614100000000 ] - [ 0.0061427500000000, 0.0014777600000000, -0.0042569800000000 ] - [ -0.0000757400000000, -0.0001292400000000, 0.0003575400000000 ] - [ -0.0000640900000000, 0.0001040800000000, 0.0003467000000000 ] - [ -0.0123649100000000, -0.0036471300000000, -0.0501445600000000 ] - [ -0.0000965100000000, 0.0005980000000000, -0.0001609100000000 ] - [ 0.0000826100000000, 0.0003516200000000, 0.0001029700000000 ] - [ -0.0007325900000000, -0.0002520200000000, -0.0002214100000000 ] - [ -0.0000193200000000, 0.0001236500000000, 0.0002130400000000 ] - [ -0.0004902300000000, -0.0000517100000000, 0.0000696300000000 ] - [ 0.0001485500000000, 0.0005212900000000, 0.0004098900000000 ] - [ 0.0001032900000000, -0.0000951800000000, 0.0004072800000000 ] - [ -0.0000866000000000, 0.0002190800000000, 0.0003836800000000 ] - [ 0.0000059000000000, -0.0002059200000000, 0.0002611600000000 ] - [ -0.0000799400000000, 0.0002970500000000, 0.0001410600000000 ] - [ -0.0084783000000000, 0.0003736000000000, -0.0032373400000000 ] - [ 0.0006692200000000, -0.0000690800000000, -0.0021818600000000 ] - [ 0.0000037000000000, 0.0000707700000000, -0.0002467200000000 ] - [ 0.0009510700000000, -0.0002059200000000, 0.0006015700000000 ] - [ 0.0097116000000000, 0.0000988200000000, -0.0000755600000000 ] - [ -0.0000266600000000, -0.0001370200000000, 0.0003063900000000 ] - [ -0.0001306900000000, 0.0000597700000000, 0.0004086700000000 ] - [ 0.0002335700000000, 0.0001977700000000, 0.0007127800000000 ] - [ -0.0002007600000000, -0.0007742000000000, -0.0003572000000000 ] - [ -0.0001418200000000, 0.0001202100000000, 0.0003408000000000 ] - [ 0.0000692000000000, -0.0002614500000000, -0.0001686600000000 ] - [ 0.0004254300000000, -0.0001450700000000, 0.0006986500000000 ] - [ -0.0002895700000000, -0.0009421800000000, 0.0004333300000000 ] - [ -0.0001040700000000, 0.0001004700000000, 0.0007937300000000 ] - [ -0.0001549800000000, -0.0003040000000000, -0.0009274400000000 ] - [ 0.0002154000000000, 0.0002623700000000, 0.0010167300000000 ] - [ -0.0002028800000000, 0.0015517600000000, -0.0004155300000000 ] - [ 0.0001914600000000, -0.0004317100000000, 0.0001427300000000 ] - [ -0.0008240700000000, -0.0000386600000000, 0.0004832600000000 ] - [ 0.0000762000000000, 0.0002228500000000, -0.0002327500000000 ] - [ 0.0001097700000000, -0.0001660000000000, -0.0000155400000000 ] - [ 0.0000248200000000, 0.0002543600000000, 0.0001550000000000 ] - [ 0.0001078100000000, -0.0005241300000000, -0.0003642100000000 ] - [ 0.0071259100000000, -0.0042701700000000, -0.0048430200000000 ] - [ -0.0007811300000000, 0.0001146500000000, 0.0005293000000000 ] - [ -0.0002990700000000, -0.0022777700000000, 0.0002357600000000 ] - [ 0.0005127500000000, 0.0002864000000000, 0.0004848300000000 ] - [ -0.0000368000000000, 0.0004665800000000, 0.0000770600000000 ] - [ -0.0051297200000000, 0.0031731900000000, -0.0052235700000000 ]- atom: 73 displacement: [ 0.0000185648863736, 0.0000000000000000, -0.0099999827672348 ] forces: - [ -0.0000524500000000, 0.0001394300000000, 0.0004063900000000 ] - [ -0.0001393600000000, -0.0002801400000000, 0.0001426500000000 ] - [ 0.0002992200000000, 0.0002899100000000, 0.0002026300000000 ] - [ -0.0002855900000000, -0.0003799700000000, -0.0015379300000000 ] - [ -0.0000548600000000, -0.0000641400000000, 0.0001530800000000 ] - [ -0.0002831600000000, 0.0002892700000000, -0.0001152600000000 ] - [ 0.0000798400000000, -0.0000933600000000, 0.0001539700000000 ] - [ 0.0003561400000000, -0.0003207300000000, 0.0001712000000000 ] - [ 0.0000166000000000, -0.0000680400000000, -0.0000616500000000 ] - [ 0.0000547400000000, 0.0003214200000000, 0.0000068800000000 ] - [ -0.0000046900000000, 0.0001688400000000, 0.0000602100000000 ] - [ -0.0000181000000000, 0.0000869300000000, 0.0000854600000000 ] - [ -0.0001241000000000, 0.0001587600000000, 0.0000528600000000 ] - [ -0.0000627800000000, 0.0000010600000000, 0.0003197300000000 ] - [ 0.0000694000000000, 0.0001855900000000, 0.0000274200000000 ] - [ -0.0001240600000000, -0.0000242300000000, 0.0002356400000000 ] - [ 0.0005958600000000, 0.0002382700000000, 0.0000578000000000 ] - [ -0.0003495000000000, -0.0004998400000000, -0.0003213900000000 ] - [ -0.0000555700000000, -0.0000571600000000, 0.0001213900000000 ] - [ -0.0000043300000000, 0.0003474400000000, 0.0001458200000000 ] - [ -0.0000004500000000, 0.0000729200000000, 0.0004921600000000 ] - [ 0.0000825200000000, 0.0001027900000000, 0.0000568600000000 ] - [ -0.0002860800000000, -0.0004786800000000, -0.0025519900000000 ] - [ -0.0000138000000000, 0.0001431100000000, 0.0000856800000000 ] - [ -0.0005875000000000, 0.0003407400000000, 0.0000973900000000 ] - [ -0.0004708900000000, 0.0002602800000000, -0.0004592900000000 ] - [ 0.0001770000000000, -0.0001816300000000, -0.0005748500000000 ] - [ -0.0002547500000000, -0.0013438000000000, 0.0016458000000000 ] - [ 0.0004964700000000, -0.0003416000000000, -0.0000943500000000 ] - [ -0.0004637100000000, -0.0005076700000000, 0.0000701800000000 ] - [ -0.0000168900000000, -0.0001445800000000, 0.0000451200000000 ] - [ 0.0004847100000000, 0.0004255600000000, -0.0001223800000000 ] - [ -0.0000229600000000, 0.0002293900000000, -0.0001310200000000 ] - [ 0.0000934400000000, -0.0000872000000000, 0.0002678000000000 ] - [ 0.0000545700000000, -0.0001307400000000, 0.0002190800000000 ] - [ -0.0000659500000000, 0.0006324600000000, 0.0001799400000000 ] - [ 0.0001364200000000, -0.0000712300000000, 0.0000259800000000 ] - [ 0.0000276200000000, 0.0000852200000000, 0.0001341900000000 ] - [ -0.0000134900000000, -0.0000882300000000, 0.0001268100000000 ] - [ 0.0007169700000000, -0.0004527300000000, 0.0000468700000000 ] - [ -0.0000396200000000, -0.0002216900000000, -0.0004313500000000 ] - [ 0.0001124100000000, 0.0002005500000000, 0.0002256400000000 ] - [ 0.0001294000000000, -0.0001448100000000, -0.0001161400000000 ] - [ -0.0001507900000000, -0.0015564700000000, -0.0024185200000000 ] - [ -0.0000402200000000, -0.0000427200000000, 0.0003122600000000 ] - [ -0.0000938800000000, 0.0000582000000000, 0.0001935000000000 ] - [ 0.0000230000000000, 0.0002395400000000, 0.0000698400000000 ] - [ -0.0000926100000000, -0.0005564700000000, 0.0000790400000000 ] - [ -0.0002971700000000, -0.0007294600000000, -0.0016632500000000 ] - [ 0.0008837300000000, -0.0006966000000000, 0.0021631200000000 ] - [ -0.0008024500000000, 0.0002926100000000, -0.0016994100000000 ] - [ -0.0000731100000000, -0.0000379500000000, 0.0008108300000000 ] - [ 0.0001349300000000, 0.0003953000000000, 0.0004386800000000 ] - [ 0.0002229300000000, 0.0002358600000000, 0.0007392300000000 ] - [ -0.0002797200000000, 0.0001445700000000, 0.0002652200000000 ] - [ 0.0184055100000000, -0.0021365400000000, -0.0344905400000000 ] - [ -0.0003382800000000, 0.0002790200000000, 0.0004511600000000 ] - [ -0.0000585800000000, -0.0001423800000000, -0.0008560100000000 ] - [ -0.0264060200000000, -0.0029052100000000, -0.0362369300000000 ] - [ -0.0005516800000000, -0.0003518600000000, -0.0003099300000000 ] - [ -0.0000940000000000, 0.0001095000000000, 0.0005168700000000 ] - [ 0.0001864400000000, 0.0000320300000000, 0.0005443100000000 ] - [ 0.0001591500000000, 0.0001471300000000, 0.0001289300000000 ] - [ -0.0001330700000000, -0.0006253300000000, 0.0031446000000000 ] - [ -0.0001679000000000, -0.0001294600000000, 0.0002699100000000 ] - [ 0.0001947400000000, 0.0000909400000000, -0.0011112000000000 ] - [ -0.0000820300000000, -0.0001301600000000, -0.0002972300000000 ] - [ -0.0000393500000000, -0.0001021400000000, -0.0002429600000000 ] - [ 0.0047294000000000, 0.0057441600000000, 0.0060672400000000 ] - [ -0.0060429000000000, -0.0016510000000000, 0.0039277900000000 ] - [ -0.0001594400000000, 0.0001724900000000, -0.0002371200000000 ] - [ -0.0000629400000000, 0.0000966100000000, 0.0000909200000000 ] - [ 0.0123245100000000, 0.0030335500000000, 0.0504738900000000 ] - [ 0.0000988100000000, -0.0008148600000000, 0.0000048800000000 ] - [ 0.0001117700000000, -0.0001378900000000, -0.0003329100000000 ] - [ 0.0008978200000000, -0.0001974900000000, -0.0002968800000000 ] - [ 0.0000404200000000, 0.0002602200000000, -0.0003138100000000 ] - [ 0.0003708000000000, -0.0001484000000000, 0.0003758500000000 ] - [ 0.0000584600000000, -0.0004971700000000, -0.0003747700000000 ] - [ 0.0002348000000000, 0.0002927000000000, 0.0000088400000000 ] - [ -0.0000646500000000, 0.0002149800000000, 0.0001252500000000 ] - [ 0.0000574300000000, 0.0003030300000000, -0.0000410500000000 ] - [ -0.0000869200000000, -0.0002240600000000, -0.0002694600000000 ] - [ 0.0084443300000000, -0.0005915600000000, 0.0031256700000000 ] - [ -0.0005398000000000, -0.0001451400000000, 0.0023787000000000 ] - [ 0.0001036000000000, 0.0001259600000000, -0.0002035600000000 ] - [ -0.0007034800000000, 0.0002447000000000, -0.0007182900000000 ] - [ -0.0099700300000000, -0.0005526200000000, 0.0000665000000000 ] - [ -0.0000591500000000, 0.0003710300000000, -0.0000246000000000 ] - [ -0.0002270600000000, 0.0004683000000000, 0.0000608300000000 ] - [ -0.0000990300000000, 0.0002497700000000, -0.0006507500000000 ] - [ -0.0000258800000000, 0.0007346600000000, 0.0004922500000000 ] - [ 0.0001262000000000, -0.0002989100000000, -0.0001538600000000 ] - [ -0.0000327800000000, -0.0002682800000000, 0.0000052300000000 ] - [ -0.0003056600000000, -0.0000533100000000, -0.0013220200000000 ] - [ 0.0002486400000000, 0.0004250700000000, -0.0003835400000000 ] - [ 0.0002388900000000, 0.0001105200000000, -0.0006214800000000 ] - [ 0.0002862100000000, -0.0001429200000000, 0.0009997800000000 ] - [ -0.0003187400000000, 0.0001797100000000, -0.0010029600000000 ] - [ 0.0002159000000000, -0.0017079700000000, 0.0002173500000000 ] - [ 0.0000204300000000, 0.0004001700000000, -0.0002803200000000 ] - [ 0.0007651500000000, 0.0005830900000000, -0.0003652100000000 ] - [ 0.0000768200000000, 0.0002228200000000, -0.0002823600000000 ] - [ -0.0000456900000000, 0.0000714600000000, 0.0002309600000000 ] - [ -0.0000148000000000, -0.0000905700000000, -0.0003707100000000 ] - [ -0.0000670500000000, -0.0000105500000000, 0.0002598100000000 ] - [ -0.0071311600000000, 0.0039969600000000, 0.0049284000000000 ] - [ 0.0009751400000000, -0.0001789700000000, -0.0004339300000000 ] - [ 0.0002135600000000, 0.0020774000000000, 0.0000381900000000 ] - [ -0.0005123400000000, -0.0001295200000000, -0.0002727900000000 ] - [ 0.0000708400000000, 0.0000583000000000, -0.0002352500000000 ] - [ 0.0050613200000000, -0.0032161200000000, 0.0049627200000000 ]- atom: 77 displacement: [ 0.0099999995909515, 0.0000000000000000, -0.0000028602394792 ] forces: - [ 0.0016242000000000, 0.0001068700000000, 0.0005722700000000 ] - [ -0.0009510600000000, -0.0009552700000000, -0.0019258100000000 ] - [ 0.0015529300000000, -0.0005509100000000, -0.0001165700000000 ] - [ -0.0000623200000000, 0.0001205200000000, -0.0001016700000000 ] - [ -0.0005650200000000, -0.0002655100000000, -0.0003540300000000 ] - [ -0.0004050300000000, 0.0002700300000000, 0.0002068700000000 ] - [ 0.0000704100000000, -0.0001298400000000, 0.0004387300000000 ] - [ 0.0003131200000000, -0.0003083700000000, 0.0001771400000000 ] - [ 0.0000444800000000, 0.0000060200000000, 0.0002536400000000 ] - [ 0.0001031400000000, 0.0002469300000000, 0.0002867300000000 ] - [ 0.0001487600000000, 0.0000783300000000, -0.0000367100000000 ] - [ 0.0000541300000000, 0.0002128700000000, -0.0001683700000000 ] - [ 0.0010231200000000, 0.0003833300000000, -0.0008991700000000 ] - [ 0.0075867500000000, 0.0033276500000000, 0.0004084900000000 ] - [ -0.0000500900000000, 0.0001988200000000, 0.0000052000000000 ] - [ -0.0010963300000000, -0.0000218000000000, -0.0001508200000000 ] - [ 0.0000045000000000, -0.0001211100000000, -0.0002305300000000 ] - [ -0.0000179800000000, -0.0001011100000000, 0.0000814100000000 ] - [ -0.0000051500000000, -0.0005414800000000, 0.0005111600000000 ] - [ -0.0005059100000000, 0.0003918300000000, -0.0000112200000000 ] - [ -0.0000666000000000, 0.0001080500000000, 0.0002224700000000 ] - [ -0.0000310400000000, -0.0000789500000000, 0.0001451100000000 ] - [ -0.0000307000000000, 0.0000148800000000, 0.0000729800000000 ] - [ 0.0001161200000000, -0.0000712000000000, -0.0000143900000000 ] - [ 0.0000010700000000, 0.0002377700000000, 0.0003840000000000 ] - [ -0.0000617000000000, -0.0001519800000000, -0.0000038400000000 ] - [ 0.0000868900000000, -0.0001792900000000, 0.0000379700000000 ] - [ -0.0002577800000000, -0.0001699200000000, 0.0002788900000000 ] - [ 0.0000920600000000, 0.0000754600000000, 0.0001863600000000 ] - [ -0.0000433900000000, -0.0003678200000000, 0.0004372000000000 ] - [ -0.0000700000000000, -0.0000398200000000, 0.0001101400000000 ] - [ 0.0000497400000000, -0.0000143000000000, 0.0001939600000000 ] - [ -0.0026338100000000, 0.0018054500000000, -0.0047671900000000 ] - [ 0.0003185100000000, -0.0005180000000000, -0.0007572000000000 ] - [ 0.0027052700000000, -0.0015428500000000, 0.0026917200000000 ] - [ -0.0000870400000000, 0.0000777700000000, 0.0000153000000000 ] - [ -0.0000499400000000, -0.0000829000000000, 0.0000266900000000 ] - [ -0.0004799600000000, -0.0005763800000000, -0.0001979000000000 ] - [ -0.0001405200000000, -0.0001964800000000, 0.0000230200000000 ] - [ 0.0001189300000000, 0.0000023800000000, -0.0002268800000000 ] - [ -0.0000063600000000, -0.0001727300000000, -0.0001370700000000 ] - [ -0.0019103800000000, 0.0027210900000000, 0.0005694000000000 ] - [ -0.0000097800000000, -0.0001692800000000, 0.0000270700000000 ] - [ -0.0000336900000000, -0.0002808300000000, 0.0000923400000000 ] - [ 0.0009669800000000, 0.0001006500000000, -0.0002234800000000 ] - [ -0.0007897800000000, 0.0003111100000000, -0.0002634000000000 ] - [ -0.0002329400000000, 0.0003426900000000, 0.0005344000000000 ] - [ -0.0001285900000000, -0.0001280500000000, 0.0000208100000000 ] - [ 0.0000126000000000, -0.0001233700000000, 0.0006906200000000 ] - [ 0.0026170000000000, -0.0017930200000000, 0.0011212100000000 ] - [ -0.0003764500000000, -0.0001271000000000, 0.0001823300000000 ] - [ 0.0000180200000000, 0.0000849200000000, 0.0004100600000000 ] - [ -0.0007014900000000, 0.0008397100000000, 0.0000306600000000 ] - [ 0.0004409000000000, 0.0000776500000000, -0.0002400800000000 ] - [ -0.0101118100000000, 0.0038521500000000, -0.0007726100000000 ] - [ -0.0005048100000000, -0.0001864600000000, 0.0004521400000000 ] - [ -0.0006119600000000, -0.0022453700000000, -0.0003792100000000 ] - [ 0.0000940100000000, -0.0000989200000000, 0.0000856100000000 ] - [ -0.0001107700000000, -0.0001730300000000, -0.0003537400000000 ] - [ 0.0003643400000000, 0.0000972300000000, 0.0005223000000000 ] - [ -0.0009035500000000, -0.0015628500000000, 0.0025238900000000 ] - [ 0.0002428600000000, 0.0001793800000000, 0.0004949900000000 ] - [ 0.0866969300000000, 0.0787314000000000, -0.0569540600000000 ] - [ 0.0018691500000000, 0.0005072200000000, -0.0004808100000000 ] - [ -0.0000942200000000, 0.0001071200000000, -0.0002296600000000 ] - [ -0.0002972800000000, 0.0002128500000000, 0.0007863300000000 ] - [ -0.0135535700000000, 0.0098823700000000, 0.0139931000000000 ] - [ 0.0000739900000000, -0.0001609400000000, -0.0002560500000000 ] - [ -0.0000428600000000, -0.0002620400000000, 0.0000360200000000 ] - [ 0.0000182500000000, 0.0000674900000000, -0.0003188200000000 ] - [ 0.0066144500000000, -0.0044688800000000, 0.0019200600000000 ] - [ 0.0159286500000000, 0.0096835400000000, -0.0066550600000000 ] - [ 0.0003100900000000, -0.0002220300000000, 0.0002200000000000 ] - [ 0.0007959500000000, 0.0000780000000000, -0.0002569300000000 ] - [ 0.0017328200000000, 0.0033834700000000, 0.0034128200000000 ] - [ -0.0000518100000000, -0.0001323700000000, -0.0010520300000000 ] - [ -0.0905053200000000, -0.0980274900000000, 0.0588172100000000 ] - [ 0.0000247800000000, -0.0001057600000000, 0.0001174400000000 ] - [ 0.0003394500000000, 0.0004401600000000, 0.0002917400000000 ] - [ -0.0009810400000000, 0.0015461100000000, -0.0007526400000000 ] - [ 0.0015177600000000, 0.0002643200000000, 0.0003473200000000 ] - [ 0.0005485900000000, 0.0012044500000000, -0.0002602500000000 ] - [ 0.0003361200000000, -0.0012015100000000, -0.0008721900000000 ] - [ 0.0001846600000000, -0.0000607600000000, -0.0012585000000000 ] - [ 0.0001910000000000, -0.0001009000000000, -0.0004459500000000 ] - [ -0.0002087700000000, 0.0001478900000000, -0.0003083200000000 ] - [ 0.0001638600000000, 0.0001788600000000, -0.0000810400000000 ] - [ 0.0000510500000000, -0.0002100400000000, 0.0004600900000000 ] - [ -0.0000248900000000, 0.0002961800000000, 0.0000721700000000 ] - [ -0.0000851300000000, 0.0007353900000000, 0.0001798900000000 ] - [ -0.0083110700000000, -0.0047110000000000, -0.0104669800000000 ] - [ -0.0001465500000000, -0.0000829500000000, -0.0001166600000000 ] - [ -0.0003814600000000, -0.0001967400000000, 0.0008381500000000 ] - [ -0.0003748000000000, -0.0004121900000000, 0.0002508800000000 ] - [ -0.0025870800000000, -0.0001591600000000, -0.0000959900000000 ] - [ 0.0004738500000000, -0.0023608300000000, 0.0015770500000000 ] - [ 0.0007675600000000, 0.0001147000000000, -0.0005133600000000 ] - [ -0.0000702600000000, -0.0002468000000000, -0.0003922800000000 ] - [ -0.0000823300000000, 0.0001852800000000, -0.0003180900000000 ] - [ -0.0000095900000000, 0.0000122200000000, -0.0002596700000000 ] - [ 0.0007876800000000, 0.0036025000000000, -0.0025976500000000 ] - [ 0.0000321400000000, 0.0003162500000000, -0.0000935200000000 ] - [ -0.0002044200000000, 0.0001587300000000, -0.0005263900000000 ] - [ -0.0003389100000000, -0.0002119700000000, -0.0000443400000000 ] - [ 0.0014082700000000, 0.0004686400000000, 0.0006123400000000 ] - [ 0.0000278600000000, -0.0003566600000000, -0.0002857700000000 ] - [ -0.0000867700000000, -0.0002130600000000, -0.0001055800000000 ] - [ 0.0001414800000000, -0.0000610300000000, -0.0001076600000000 ] - [ 0.0003405100000000, -0.0001685000000000, 0.0000424900000000 ] - [ 0.0000033100000000, -0.0000347100000000, 0.0000576000000000 ] - [ 0.0003553600000000, -0.0002925500000000, -0.0009909000000000 ] - [ -0.0000245400000000, -0.0000895000000000, -0.0001289900000000 ]- atom: 77 displacement: [ -0.0099999995909515, 0.0000000000000000, 0.0000028602394792 ] forces: - [ -0.0016972500000000, 0.0002079900000000, -0.0000649000000000 ] - [ 0.0004342400000000, 0.0003657000000000, 0.0017966800000000 ] - [ -0.0010295700000000, 0.0011379500000000, 0.0002479200000000 ] - [ 0.0000408500000000, 0.0001305200000000, -0.0003387600000000 ] - [ 0.0005438200000000, 0.0000162700000000, -0.0000801300000000 ] - [ -0.0001153800000000, 0.0003231700000000, -0.0003388300000000 ] - [ -0.0000481100000000, -0.0001194700000000, -0.0000022000000000 ] - [ 0.0002080700000000, -0.0002835200000000, -0.0000522400000000 ] - [ -0.0000072800000000, 0.0002166300000000, -0.0002398900000000 ] - [ 0.0000139800000000, 0.0000359100000000, -0.0001052100000000 ] - [ -0.0001545800000000, 0.0004870300000000, -0.0000413100000000 ] - [ -0.0000548000000000, -0.0002477500000000, 0.0001418100000000 ] - [ -0.0012826500000000, -0.0003389000000000, 0.0010163300000000 ] - [ -0.0079054900000000, -0.0038685800000000, -0.0002890900000000 ] - [ 0.0001701500000000, -0.0000310500000000, -0.0001720500000000 ] - [ 0.0009248300000000, 0.0002154400000000, -0.0000207900000000 ] - [ 0.0001116300000000, -0.0000518900000000, 0.0000624300000000 ] - [ -0.0000211200000000, -0.0001177700000000, -0.0000995600000000 ] - [ -0.0001135300000000, 0.0007143500000000, -0.0003451400000000 ] - [ 0.0005111300000000, 0.0001732700000000, 0.0000916000000000 ] - [ 0.0000886800000000, 0.0002219500000000, 0.0002445700000000 ] - [ -0.0000867500000000, -0.0000915900000000, 0.0000216700000000 ] - [ 0.0000308700000000, 0.0000201000000000, -0.0000477100000000 ] - [ -0.0001502400000000, 0.0004449600000000, 0.0000244600000000 ] - [ -0.0000006500000000, -0.0002066800000000, -0.0004142700000000 ] - [ -0.0000576600000000, -0.0001332700000000, -0.0001813900000000 ] - [ -0.0001204100000000, -0.0001912800000000, -0.0000276600000000 ] - [ 0.0002791000000000, -0.0001602400000000, 0.0001876500000000 ] - [ 0.0000834700000000, 0.0001187700000000, -0.0000179800000000 ] - [ 0.0000399800000000, -0.0001951700000000, -0.0005158900000000 ] - [ -0.0001877000000000, -0.0000126500000000, 0.0000126900000000 ] - [ 0.0000480000000000, -0.0000684200000000, -0.0000042200000000 ] - [ 0.0025958300000000, -0.0014767200000000, 0.0043130300000000 ] - [ -0.0001991400000000, 0.0002345500000000, 0.0009545800000000 ] - [ -0.0026723500000000, 0.0013351000000000, -0.0027041900000000 ] - [ -0.0000089600000000, 0.0000045500000000, -0.0002076200000000 ] - [ 0.0003106600000000, 0.0001385800000000, -0.0001492700000000 ] - [ 0.0003673300000000, 0.0008649700000000, 0.0000114800000000 ] - [ 0.0001392200000000, 0.0001607700000000, 0.0000037700000000 ] - [ 0.0001396200000000, -0.0000530300000000, 0.0001044500000000 ] - [ -0.0000151500000000, -0.0001583000000000, -0.0003315300000000 ] - [ 0.0019544200000000, -0.0025278600000000, -0.0005854300000000 ] - [ 0.0000434400000000, -0.0002028100000000, -0.0000384700000000 ] - [ 0.0000372700000000, -0.0002840400000000, -0.0000160500000000 ] - [ -0.0008765800000000, -0.0000202800000000, 0.0004148700000000 ] - [ 0.0006963300000000, -0.0003950100000000, 0.0000770700000000 ] - [ 0.0002691600000000, 0.0000277600000000, -0.0005428200000000 ] - [ -0.0000448300000000, -0.0000650900000000, -0.0001920500000000 ] - [ 0.0004301100000000, -0.0001115300000000, -0.0004349500000000 ] - [ -0.0020482100000000, 0.0015679400000000, -0.0007811000000000 ] - [ -0.0001885100000000, -0.0000953800000000, -0.0005309400000000 ] - [ -0.0001487400000000, 0.0001083900000000, 0.0000580200000000 ] - [ 0.0008867600000000, -0.0004163700000000, -0.0002957100000000 ] - [ 0.0001240900000000, 0.0001476100000000, 0.0005815300000000 ] - [ 0.0095540700000000, -0.0035979000000000, 0.0004236000000000 ] - [ 0.0000642600000000, -0.0000503200000000, -0.0007196200000000 ] - [ 0.0001710700000000, 0.0024856000000000, 0.0001154300000000 ] - [ 0.0000415500000000, -0.0000932200000000, -0.0005652700000000 ] - [ 0.0002926800000000, -0.0002462800000000, 0.0000871200000000 ] - [ -0.0005522500000000, -0.0005158100000000, -0.0002626200000000 ] - [ 0.0007005200000000, 0.0019791500000000, -0.0023162200000000 ] - [ 0.0001871800000000, 0.0000552800000000, -0.0002269100000000 ] - [ -0.0868283900000000, -0.0771986400000000, 0.0555628400000000 ] - [ -0.0019959600000000, -0.0006924800000000, 0.0009527200000000 ] - [ -0.0001126900000000, -0.0000583100000000, 0.0001561000000000 ] - [ 0.0001678400000000, -0.0000057300000000, -0.0009826300000000 ] - [ 0.0133574500000000, -0.0099807700000000, -0.0139807400000000 ] - [ -0.0000637400000000, 0.0003751700000000, 0.0001078300000000 ] - [ 0.0000033700000000, -0.0002642800000000, 0.0001352300000000 ] - [ 0.0000633700000000, -0.0002874900000000, 0.0000450000000000 ] - [ -0.0068832300000000, 0.0044990200000000, -0.0017824500000000 ] - [ -0.0160634300000000, -0.0093234200000000, 0.0069887800000000 ] - [ -0.0004624400000000, -0.0002225500000000, 0.0003000700000000 ] - [ -0.0007969600000000, -0.0002899600000000, 0.0001061400000000 ] - [ -0.0016527200000000, -0.0031732300000000, -0.0037029900000000 ] - [ 0.0002083000000000, -0.0003132000000000, 0.0005396500000000 ] - [ 0.0913361300000000, 0.0974738200000000, -0.0580048000000000 ] - [ -0.0001338300000000, -0.0000894700000000, 0.0003334500000000 ] - [ -0.0001341700000000, -0.0003981900000000, -0.0002240900000000 ] - [ 0.0009815200000000, -0.0013387100000000, 0.0009085000000000 ] - [ -0.0016737100000000, 0.0001805800000000, 0.0001692800000000 ] - [ -0.0004906900000000, -0.0011240500000000, 0.0004811000000000 ] - [ -0.0003945000000000, 0.0012881100000000, 0.0006567000000000 ] - [ -0.0003173000000000, -0.0001479500000000, 0.0010703000000000 ] - [ -0.0000626700000000, -0.0001067000000000, 0.0006487100000000 ] - [ 0.0003150300000000, 0.0000466100000000, -0.0001462200000000 ] - [ 0.0000698600000000, -0.0001435600000000, -0.0000520200000000 ] - [ -0.0001790700000000, -0.0002323400000000, -0.0005233500000000 ] - [ -0.0000511600000000, -0.0000752100000000, 0.0002064200000000 ] - [ 0.0000408700000000, -0.0002167500000000, -0.0000084200000000 ] - [ 0.0084652300000000, 0.0051071300000000, 0.0106169600000000 ] - [ -0.0000844200000000, 0.0000489400000000, 0.0002542700000000 ] - [ 0.0003796200000000, 0.0000370800000000, -0.0006445600000000 ] - [ 0.0004161400000000, -0.0001140000000000, -0.0004210600000000 ] - [ 0.0026929600000000, -0.0000346100000000, -0.0003609300000000 ] - [ -0.0005094700000000, 0.0018044200000000, -0.0014619700000000 ] - [ -0.0006354100000000, 0.0000906300000000, 0.0007000100000000 ] - [ 0.0002026500000000, -0.0001949300000000, 0.0004690900000000 ] - [ -0.0000474900000000, 0.0002561500000000, 0.0002501200000000 ] - [ 0.0000159300000000, -0.0001810600000000, 0.0000645100000000 ] - [ -0.0005559800000000, -0.0036380100000000, 0.0024642900000000 ] - [ -0.0000760800000000, 0.0002299500000000, 0.0001962400000000 ] - [ 0.0003817100000000, 0.0002847100000000, 0.0000122200000000 ] - [ 0.0003979500000000, 0.0001224000000000, 0.0002508900000000 ] - [ -0.0014045800000000, -0.0003080800000000, -0.0008132700000000 ] - [ 0.0000130400000000, -0.0001792200000000, 0.0001865100000000 ] - [ 0.0000851600000000, 0.0000009100000000, 0.0002646200000000 ] - [ 0.0000638100000000, 0.0000048600000000, 0.0001847000000000 ] - [ -0.0004227600000000, -0.0000536100000000, 0.0002347300000000 ] - [ -0.0000076800000000, 0.0001973700000000, 0.0001425500000000 ] - [ -0.0003291400000000, 0.0008250600000000, 0.0008326800000000 ] - [ -0.0000347500000000, 0.0000014800000000, -0.0000764900000000 ]- atom: 77 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0012937800000000, 0.0041831000000000, -0.0010736900000000 ] - [ 0.0000752500000000, 0.0006470300000000, -0.0008888500000000 ] - [ 0.0007315800000000, -0.0036738300000000, -0.0021320200000000 ] - [ -0.0000387500000000, 0.0001221500000000, 0.0001220800000000 ] - [ -0.0000615900000000, -0.0006427100000000, -0.0007269300000000 ] - [ -0.0004297000000000, 0.0002157900000000, 0.0006341300000000 ] - [ 0.0000717600000000, -0.0001197400000000, 0.0009517900000000 ] - [ 0.0002791300000000, -0.0003367500000000, 0.0003889900000000 ] - [ 0.0000266800000000, -0.0002268600000000, 0.0006313100000000 ] - [ 0.0001021400000000, 0.0004415700000000, 0.0005504400000000 ] - [ 0.0002616600000000, -0.0004275700000000, -0.0000249800000000 ] - [ 0.0000658600000000, 0.0007232300000000, -0.0001795400000000 ] - [ 0.0000338100000000, 0.0010728900000000, -0.0046923200000000 ] - [ 0.0010693900000000, 0.0042495500000000, 0.0000000300000000 ] - [ -0.0000646000000000, 0.0006787100000000, -0.0001984200000000 ] - [ -0.0000849600000000, 0.0009545300000000, -0.0006240200000000 ] - [ 0.0000850300000000, -0.0003152800000000, -0.0000527700000000 ] - [ -0.0000085400000000, -0.0002066500000000, 0.0002649700000000 ] - [ 0.0001495500000000, -0.0021008600000000, 0.0008770400000000 ] - [ -0.0001633400000000, 0.0011979000000000, 0.0001001400000000 ] - [ -0.0000071500000000, -0.0001395300000000, 0.0001630300000000 ] - [ -0.0000597100000000, 0.0000093700000000, 0.0002828900000000 ] - [ -0.0000186300000000, 0.0001599200000000, 0.0001485600000000 ] - [ 0.0000345000000000, -0.0005363600000000, -0.0002603900000000 ] - [ -0.0000127300000000, -0.0002592200000000, -0.0000901500000000 ] - [ -0.0000431200000000, -0.0000522500000000, 0.0001569200000000 ] - [ -0.0000048200000000, -0.0001316600000000, 0.0003265700000000 ] - [ -0.0000104800000000, -0.0000748400000000, 0.0005519600000000 ] - [ 0.0000787000000000, 0.0000015100000000, 0.0003545100000000 ] - [ -0.0002109900000000, 0.0000322200000000, 0.0003350300000000 ] - [ -0.0001066600000000, -0.0001563600000000, 0.0002007500000000 ] - [ 0.0000317400000000, 0.0000743000000000, 0.0003618800000000 ] - [ -0.0005052600000000, 0.0029298400000000, -0.0016005600000000 ] - [ -0.0003233600000000, -0.0017600200000000, -0.0018873600000000 ] - [ -0.0005118700000000, 0.0038289500000000, -0.0023514500000000 ] - [ -0.0000787900000000, 0.0002662300000000, 0.0002592700000000 ] - [ -0.0002133100000000, -0.0006741400000000, -0.0000084600000000 ] - [ -0.0010810600000000, -0.0018923700000000, -0.0004183100000000 ] - [ -0.0000541000000000, -0.0009060800000000, 0.0001367300000000 ] - [ 0.0002298900000000, 0.0002034800000000, 0.0001377500000000 ] - [ -0.0000292100000000, -0.0002664600000000, -0.0000828700000000 ] - [ 0.0057973100000000, 0.0020300100000000, -0.0011529500000000 ] - [ 0.0000384700000000, -0.0002541400000000, 0.0000772600000000 ] - [ -0.0000095500000000, -0.0004242200000000, 0.0001547300000000 ] - [ 0.0013529200000000, -0.0019231000000000, 0.0001100500000000 ] - [ 0.0000059500000000, -0.0006461200000000, -0.0007588400000000 ] - [ -0.0000047300000000, 0.0013939300000000, 0.0000145100000000 ] - [ -0.0001200400000000, -0.0002885600000000, 0.0002980200000000 ] - [ 0.0001501900000000, 0.0000015300000000, 0.0004524000000000 ] - [ 0.0002876400000000, -0.0034428900000000, 0.0015264500000000 ] - [ -0.0003529700000000, -0.0001209400000000, 0.0003388200000000 ] - [ -0.0002162600000000, 0.0000187800000000, -0.0003176000000000 ] - [ -0.0006141500000000, -0.0013141200000000, -0.0007103100000000 ] - [ 0.0004275300000000, 0.0001219400000000, -0.0006639100000000 ] - [ -0.0105843500000000, -0.0006696600000000, 0.0014381200000000 ] - [ -0.0004704700000000, -0.0003398100000000, 0.0009512200000000 ] - [ -0.0000440900000000, -0.0023964400000000, -0.0006296200000000 ] - [ 0.0001168700000000, -0.0000763900000000, 0.0005041500000000 ] - [ 0.0002204900000000, -0.0004881100000000, 0.0009238400000000 ] - [ -0.0003385400000000, 0.0012207500000000, 0.0006560200000000 ] - [ 0.0018869700000000, -0.0023349700000000, 0.0083870100000000 ] - [ 0.0011071600000000, -0.0002435100000000, 0.0019822300000000 ] - [ 0.0804548200000000, 0.2045429700000000, -0.1019493700000000 ] - [ 0.0000563800000000, -0.0029388700000000, 0.0017347800000000 ] - [ -0.0000223200000000, 0.0001098400000000, -0.0005164800000000 ] - [ -0.0005293500000000, 0.0002852100000000, 0.0015646300000000 ] - [ -0.0061645500000000, 0.0282408700000000, 0.0072313500000000 ] - [ -0.0003277000000000, -0.0012686200000000, -0.0008805700000000 ] - [ 0.0001056500000000, -0.0005920900000000, -0.0003450100000000 ] - [ -0.0000119700000000, 0.0004440100000000, -0.0005055800000000 ] - [ 0.0044995000000000, -0.0046528500000000, 0.0011917100000000 ] - [ 0.0316540100000000, -0.0063332600000000, 0.0038878700000000 ] - [ -0.0000735000000000, -0.0002310700000000, 0.0001147600000000 ] - [ -0.0001694300000000, 0.0000180500000000, 0.0000176500000000 ] - [ 0.0033175900000000, 0.0024764300000000, 0.0041564800000000 ] - [ 0.0003400800000000, -0.0002088600000000, 0.0000463900000000 ] - [ -0.0998051800000000, -0.2325898400000000, 0.1205633800000000 ] - [ -0.0000173900000000, -0.0000882200000000, -0.0000537800000000 ] - [ -0.0001504500000000, 0.0025828200000000, 0.0014064500000000 ] - [ -0.0000880100000000, 0.0029316200000000, -0.0002207700000000 ] - [ 0.0005443400000000, 0.0003883200000000, 0.0005175600000000 ] - [ 0.0003787700000000, 0.0033815300000000, -0.0011541500000000 ] - [ -0.0024436700000000, 0.0008458200000000, 0.0026833100000000 ] - [ 0.0003573600000000, -0.0000483500000000, -0.0018628900000000 ] - [ 0.0002473300000000, -0.0000835100000000, -0.0006677900000000 ] - [ -0.0000197700000000, 0.0002226800000000, -0.0004530200000000 ] - [ 0.0002335000000000, 0.0005126300000000, -0.0002084100000000 ] - [ -0.0004853000000000, -0.0001490000000000, -0.0017546300000000 ] - [ -0.0002591900000000, 0.0016504100000000, -0.0003243700000000 ] - [ -0.0000685400000000, 0.0030689800000000, 0.0002917400000000 ] - [ -0.0101377900000000, -0.0067066000000000, -0.0258180700000000 ] - [ -0.0001971900000000, -0.0000406100000000, -0.0003725000000000 ] - [ 0.0000736200000000, 0.0028880200000000, 0.0017043400000000 ] - [ -0.0001687900000000, -0.0004534300000000, 0.0005932200000000 ] - [ 0.0001998500000000, 0.0008077900000000, -0.0013778200000000 ] - [ -0.0021067800000000, 0.0025255900000000, -0.0026658800000000 ] - [ 0.0011919000000000, 0.0000885800000000, -0.0027767900000000 ] - [ -0.0001727600000000, -0.0003353000000000, -0.0010637800000000 ] - [ 0.0002755700000000, 0.0004169000000000, 0.0012499000000000 ] - [ -0.0000501600000000, -0.0000316400000000, -0.0004703300000000 ] - [ 0.0016230000000000, 0.0030691800000000, -0.0029676800000000 ] - [ -0.0000606500000000, 0.0007018400000000, -0.0001414700000000 ] - [ -0.0026956300000000, 0.0001357800000000, -0.0009359000000000 ] - [ 0.0001442400000000, -0.0015409100000000, -0.0014489600000000 ] - [ 0.0003948000000000, 0.0024845800000000, 0.0010048500000000 ] - [ 0.0001114300000000, -0.0003881500000000, -0.0006476600000000 ] - [ -0.0001121900000000, -0.0004492700000000, -0.0003604200000000 ] - [ 0.0001029000000000, -0.0004032900000000, -0.0001710400000000 ] - [ -0.0000520100000000, -0.0006592200000000, 0.0000842000000000 ] - [ 0.0000390300000000, -0.0003521500000000, -0.0000686800000000 ] - [ 0.0008676300000000, -0.0017223700000000, -0.0016286400000000 ] - [ 0.0000429000000000, 0.0005303600000000, -0.0004574200000000 ]- atom: 77 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0013304900000000, -0.0038684200000000, 0.0015585600000000 ] - [ -0.0005789500000000, -0.0012256700000000, 0.0007673300000000 ] - [ -0.0002047100000000, 0.0041999100000000, 0.0022637400000000 ] - [ 0.0000152700000000, 0.0001263700000000, -0.0005588500000000 ] - [ 0.0000381000000000, 0.0003921300000000, 0.0002838300000000 ] - [ -0.0000906300000000, 0.0003731300000000, -0.0007642000000000 ] - [ -0.0000490900000000, -0.0001296300000000, -0.0005089700000000 ] - [ 0.0002422000000000, -0.0002531400000000, -0.0002533600000000 ] - [ 0.0000116500000000, 0.0004472300000000, -0.0006125700000000 ] - [ 0.0000155900000000, -0.0001587800000000, -0.0003613200000000 ] - [ -0.0002628100000000, 0.0009882700000000, -0.0000512700000000 ] - [ -0.0000641000000000, -0.0007551300000000, 0.0001536300000000 ] - [ -0.0002902600000000, -0.0010415600000000, 0.0047898600000000 ] - [ -0.0011391800000000, -0.0045499800000000, 0.0001479100000000 ] - [ 0.0001855000000000, -0.0005112700000000, 0.0000339000000000 ] - [ -0.0000923300000000, -0.0007632200000000, 0.0004542600000000 ] - [ 0.0000338400000000, 0.0001505400000000, -0.0001114300000000 ] - [ -0.0000288000000000, -0.0000126200000000, -0.0002794600000000 ] - [ -0.0002580100000000, 0.0022649800000000, -0.0006921200000000 ] - [ 0.0001630500000000, -0.0006367600000000, -0.0000253000000000 ] - [ 0.0000288000000000, 0.0004731800000000, 0.0003059100000000 ] - [ -0.0000596800000000, -0.0001778300000000, -0.0001153800000000 ] - [ 0.0000167500000000, -0.0001277000000000, -0.0001204400000000 ] - [ -0.0000677100000000, 0.0009105500000000, 0.0002731400000000 ] - [ 0.0000143500000000, 0.0002952300000000, 0.0000647400000000 ] - [ -0.0000754600000000, -0.0002320600000000, -0.0003430500000000 ] - [ -0.0000286300000000, -0.0002444900000000, -0.0003158800000000 ] - [ 0.0000318400000000, -0.0002601500000000, -0.0000833800000000 ] - [ 0.0000973700000000, 0.0001971800000000, -0.0001841400000000 ] - [ 0.0002090800000000, -0.0005966100000000, -0.0004110900000000 ] - [ -0.0001504600000000, 0.0001052400000000, -0.0000787700000000 ] - [ 0.0000658100000000, -0.0001607000000000, -0.0001665100000000 ] - [ 0.0004552900000000, -0.0025841300000000, 0.0010915600000000 ] - [ 0.0004441000000000, 0.0014794200000000, 0.0020665600000000 ] - [ 0.0005787400000000, -0.0041085200000000, 0.0025848400000000 ] - [ -0.0000193300000000, -0.0001797900000000, -0.0004506100000000 ] - [ 0.0004706800000000, 0.0007248100000000, -0.0001103300000000 ] - [ 0.0009423400000000, 0.0021781700000000, 0.0002210900000000 ] - [ 0.0000521800000000, 0.0008722600000000, -0.0001120900000000 ] - [ 0.0000285700000000, -0.0002569300000000, -0.0002570400000000 ] - [ 0.0000072900000000, -0.0000677100000000, -0.0003834000000000 ] - [ -0.0057646100000000, -0.0018617100000000, 0.0011253500000000 ] - [ -0.0000048200000000, -0.0001201600000000, -0.0000860700000000 ] - [ 0.0000101500000000, -0.0001371100000000, -0.0000759600000000 ] - [ -0.0012409100000000, 0.0020119500000000, 0.0000763400000000 ] - [ -0.0001070700000000, 0.0005669000000000, 0.0005666400000000 ] - [ 0.0000399800000000, -0.0010172100000000, -0.0000280200000000 ] - [ -0.0000561800000000, 0.0000903300000000, -0.0004641800000000 ] - [ 0.0002848800000000, -0.0002359800000000, -0.0001817100000000 ] - [ 0.0002958100000000, 0.0032066800000000, -0.0011865600000000 ] - [ -0.0002163300000000, -0.0001067800000000, -0.0006679200000000 ] - [ 0.0000800600000000, 0.0001719700000000, 0.0007888800000000 ] - [ 0.0007930800000000, 0.0017161500000000, 0.0004518000000000 ] - [ 0.0001429900000000, 0.0001023400000000, 0.0010039500000000 ] - [ 0.0099743700000000, 0.0009034300000000, -0.0017749100000000 ] - [ 0.0000306800000000, 0.0001073500000000, -0.0012156500000000 ] - [ -0.0003970500000000, 0.0026132300000000, 0.0003665700000000 ] - [ 0.0000205000000000, -0.0001161800000000, -0.0009615100000000 ] - [ -0.0000380700000000, 0.0000760700000000, -0.0011874400000000 ] - [ 0.0001568000000000, -0.0016252100000000, -0.0003819300000000 ] - [ -0.0020598800000000, 0.0027228200000000, -0.0081111200000000 ] - [ -0.0006644500000000, 0.0004764600000000, -0.0017162000000000 ] - [ -0.0760696900000000, -0.1973560100000000, 0.0962594500000000 ] - [ -0.0002024100000000, 0.0027313000000000, -0.0012685700000000 ] - [ -0.0001823700000000, -0.0000578000000000, 0.0004411800000000 ] - [ 0.0003983700000000, -0.0000776900000000, -0.0017550300000000 ] - [ 0.0059680500000000, -0.0279746500000000, -0.0073049200000000 ] - [ 0.0003289800000000, 0.0014801700000000, 0.0007224900000000 ] - [ -0.0001434000000000, 0.0000623200000000, 0.0005132700000000 ] - [ 0.0000953300000000, -0.0006736900000000, 0.0002313600000000 ] - [ -0.0046874100000000, 0.0046557600000000, -0.0010401500000000 ] - [ -0.0314889300000000, 0.0063734200000000, -0.0033077900000000 ] - [ -0.0000784500000000, -0.0002116200000000, 0.0004044000000000 ] - [ 0.0001692800000000, -0.0002376600000000, -0.0001780000000000 ] - [ -0.0032320000000000, -0.0022261800000000, -0.0044154500000000 ] - [ -0.0001850300000000, -0.0002340700000000, -0.0005727000000000 ] - [ 0.0956802100000000, 0.2263287300000000, -0.1155691600000000 ] - [ -0.0000905400000000, -0.0001086500000000, 0.0005075900000000 ] - [ 0.0003597300000000, -0.0025300100000000, -0.0013255300000000 ] - [ 0.0000694300000000, -0.0027100800000000, 0.0003649700000000 ] - [ -0.0006914200000000, 0.0000545000000000, 0.0000043900000000 ] - [ -0.0003142300000000, -0.0032672500000000, 0.0013595000000000 ] - [ 0.0023815600000000, -0.0007338700000000, -0.0028814900000000 ] - [ -0.0004899000000000, -0.0001592200000000, 0.0016759400000000 ] - [ -0.0001118900000000, -0.0001241200000000, 0.0008421700000000 ] - [ 0.0001264500000000, -0.0000257200000000, -0.0000040400000000 ] - [ -0.0000034000000000, -0.0004839200000000, 0.0000663200000000 ] - [ 0.0003586100000000, -0.0002916100000000, 0.0016943900000000 ] - [ 0.0001756700000000, -0.0014211600000000, 0.0005966100000000 ] - [ 0.0000484400000000, -0.0025291800000000, -0.0001389200000000 ] - [ 0.0101080700000000, 0.0070032000000000, 0.0257053200000000 ] - [ -0.0000331200000000, 0.0000097800000000, 0.0005091900000000 ] - [ -0.0000829600000000, -0.0030618600000000, -0.0015045300000000 ] - [ 0.0002052100000000, -0.0000820300000000, -0.0007651500000000 ] - [ -0.0000948900000000, -0.0010048700000000, 0.0009317100000000 ] - [ 0.0020632300000000, -0.0030409700000000, 0.0027603500000000 ] - [ -0.0010560500000000, 0.0001192100000000, 0.0029559900000000 ] - [ 0.0002972600000000, -0.0001074100000000, 0.0011116900000000 ] - [ -0.0004057100000000, 0.0000233800000000, -0.0013205400000000 ] - [ 0.0000550100000000, -0.0001344300000000, 0.0002728000000000 ] - [ -0.0013941200000000, -0.0030780100000000, 0.0028227200000000 ] - [ 0.0000199500000000, -0.0001679000000000, 0.0002371500000000 ] - [ 0.0028339800000000, 0.0003072600000000, 0.0004118100000000 ] - [ -0.0000820000000000, 0.0014384800000000, 0.0016393000000000 ] - [ -0.0003899900000000, -0.0023112800000000, -0.0011904300000000 ] - [ -0.0000693000000000, -0.0001508800000000, 0.0005443900000000 ] - [ 0.0001099000000000, 0.0002344000000000, 0.0005131400000000 ] - [ 0.0001035400000000, 0.0003577900000000, 0.0002385100000000 ] - [ -0.0000316600000000, 0.0004308600000000, 0.0001860200000000 ] - [ -0.0000459000000000, 0.0005258400000000, 0.0002591000000000 ] - [ -0.0008323400000000, 0.0022475900000000, 0.0014563300000000 ] - [ -0.0001048300000000, -0.0006313700000000, 0.0002525900000000 ]- atom: 77 displacement: [ -0.0000185648863736, 0.0000000000000000, 0.0099999827672348 ] forces: - [ 0.0005015100000000, 0.0002049400000000, 0.0035501400000000 ] - [ -0.0022647800000000, -0.0019401500000000, -0.0007793300000000 ] - [ 0.0004563500000000, 0.0011439000000000, 0.0020961400000000 ] - [ 0.0000303700000000, 0.0001800000000000, -0.0008805600000000 ] - [ -0.0000355900000000, 0.0001172200000000, 0.0008855200000000 ] - [ -0.0000822000000000, 0.0003893400000000, -0.0009972400000000 ] - [ -0.0000395700000000, -0.0000913700000000, -0.0007065400000000 ] - [ 0.0002179900000000, -0.0002302500000000, -0.0005974300000000 ] - [ 0.0000037600000000, 0.0002330000000000, -0.0007674500000000 ] - [ 0.0000141500000000, 0.0000516900000000, -0.0005638400000000 ] - [ -0.0002283900000000, 0.0006256400000000, -0.0002502000000000 ] - [ -0.0001119700000000, -0.0003134400000000, -0.0002798400000000 ] - [ -0.0000181300000000, -0.0017990700000000, -0.0018251500000000 ] - [ 0.0025755500000000, 0.0009968100000000, 0.0031993200000000 ] - [ 0.0002094400000000, -0.0001874200000000, -0.0003160100000000 ] - [ -0.0000168100000000, 0.0000501700000000, 0.0006316200000000 ] - [ 0.0000105800000000, -0.0003171600000000, -0.0001647700000000 ] - [ -0.0000546100000000, -0.0001744900000000, -0.0005024900000000 ] - [ -0.0000461500000000, 0.0009724100000000, -0.0000071300000000 ] - [ -0.0000061400000000, 0.0000749600000000, 0.0002182700000000 ] - [ 0.0000031200000000, 0.0002931100000000, 0.0000400400000000 ] - [ -0.0000711000000000, 0.0000141300000000, -0.0003622700000000 ] - [ 0.0000357700000000, 0.0000402200000000, -0.0002985300000000 ] - [ -0.0000345800000000, 0.0005426500000000, -0.0000644200000000 ] - [ 0.0000130200000000, -0.0002626900000000, -0.0002400600000000 ] - [ -0.0000963900000000, -0.0000747900000000, -0.0005627200000000 ] - [ -0.0000418600000000, 0.0000351900000000, -0.0003010200000000 ] - [ 0.0000447200000000, -0.0000896300000000, 0.0000701900000000 ] - [ 0.0001297600000000, 0.0000370000000000, -0.0004336000000000 ] - [ 0.0003958100000000, -0.0000401600000000, -0.0006460800000000 ] - [ -0.0001482600000000, -0.0001264600000000, -0.0002513100000000 ] - [ 0.0000895400000000, -0.0000137100000000, -0.0004313900000000 ] - [ -0.0024924900000000, 0.0002243500000000, -0.0007141700000000 ] - [ 0.0002134400000000, 0.0000271000000000, 0.0017483400000000 ] - [ 0.0013399800000000, -0.0045313400000000, 0.0114145700000000 ] - [ -0.0000172500000000, 0.0000161400000000, -0.0006364200000000 ] - [ 0.0004565200000000, 0.0003411000000000, -0.0002563500000000 ] - [ 0.0004378100000000, 0.0008949000000000, 0.0004590700000000 ] - [ -0.0000775600000000, 0.0002013400000000, 0.0001511200000000 ] - [ -0.0000736400000000, 0.0001740900000000, -0.0004088600000000 ] - [ 0.0000322500000000, -0.0001611800000000, -0.0005985000000000 ] - [ -0.0013238500000000, -0.0003600600000000, 0.0034606700000000 ] - [ -0.0000464000000000, -0.0002383100000000, -0.0003468700000000 ] - [ 0.0000225000000000, -0.0003017600000000, -0.0002577400000000 ] - [ -0.0008505600000000, 0.0005578800000000, 0.0008954700000000 ] - [ 0.0003210500000000, -0.0003510100000000, 0.0007036100000000 ] - [ 0.0007117100000000, -0.0000366200000000, -0.0002831600000000 ] - [ -0.0000435500000000, -0.0001058500000000, -0.0006354500000000 ] - [ 0.0008057800000000, 0.0004383700000000, -0.0011959100000000 ] - [ -0.0001753400000000, 0.0020230700000000, -0.0005789700000000 ] - [ -0.0001729900000000, 0.0000175500000000, -0.0016576600000000 ] - [ -0.0000159700000000, 0.0001642200000000, -0.0005901400000000 ] - [ -0.0000048300000000, -0.0003874700000000, -0.0005516700000000 ] - [ 0.0002691800000000, 0.0001833400000000, -0.0006011300000000 ] - [ 0.0044941500000000, 0.0017111800000000, 0.0007358100000000 ] - [ -0.0000647900000000, -0.0000728200000000, -0.0008640500000000 ] - [ -0.0002094500000000, -0.0006366900000000, -0.0006320400000000 ] - [ -0.0001280600000000, -0.0000803400000000, -0.0021418600000000 ] - [ 0.0000330800000000, -0.0000972000000000, -0.0007640800000000 ] - [ 0.0001424500000000, -0.0022708000000000, -0.0020331500000000 ] - [ -0.0032013600000000, 0.0002228200000000, -0.0078874300000000 ] - [ -0.0014199300000000, 0.0003465500000000, 0.0000976700000000 ] - [ -0.0549736600000000, -0.0950497000000000, 0.1104651000000000 ] - [ -0.0000477200000000, 0.0021128800000000, -0.0003923400000000 ] - [ -0.0002723300000000, -0.0005628800000000, 0.0008746200000000 ] - [ -0.0003036200000000, 0.0000581600000000, 0.0010779800000000 ] - [ 0.0136479700000000, -0.0116351000000000, -0.0212744000000000 ] - [ 0.0001727400000000, 0.0006633100000000, 0.0005269300000000 ] - [ -0.0000681700000000, -0.0001793200000000, 0.0006595800000000 ] - [ 0.0000662600000000, -0.0002888300000000, 0.0003316400000000 ] - [ -0.0022429100000000, 0.0015778900000000, -0.0022347700000000 ] - [ -0.0172310700000000, 0.0035288200000000, -0.0042811700000000 ] - [ -0.0001112100000000, -0.0002326400000000, 0.0005225000000000 ] - [ 0.0006206300000000, -0.0001594200000000, 0.0009895000000000 ] - [ 0.0010108500000000, 0.0016291100000000, 0.0002481800000000 ] - [ -0.0005314200000000, -0.0002527800000000, 0.0001706100000000 ] - [ 0.0578692200000000, 0.1173754700000000, -0.1163450700000000 ] - [ -0.0000570500000000, -0.0000943600000000, 0.0006505500000000 ] - [ 0.0002726400000000, -0.0016144500000000, -0.0015422200000000 ] - [ -0.0001726100000000, -0.0003160300000000, -0.0004059400000000 ] - [ 0.0000141800000000, 0.0003133100000000, -0.0000496800000000 ] - [ 0.0000712700000000, -0.0021217900000000, 0.0021699900000000 ] - [ -0.0006894500000000, 0.0013083400000000, -0.0002281900000000 ] - [ -0.0004222200000000, -0.0001915700000000, 0.0010442700000000 ] - [ -0.0005326200000000, -0.0001105000000000, 0.0024437700000000 ] - [ -0.0000153700000000, 0.0000281700000000, 0.0001707400000000 ] - [ 0.0002538200000000, 0.0001729200000000, 0.0006409800000000 ] - [ 0.0002041300000000, -0.0003100400000000, 0.0009117000000000 ] - [ 0.0000981000000000, -0.0005820900000000, 0.0005213000000000 ] - [ 0.0000580600000000, -0.0001537800000000, -0.0003970900000000 ] - [ -0.0007033700000000, -0.0070886500000000, 0.0161600400000000 ] - [ 0.0000967400000000, 0.0004232700000000, 0.0009154900000000 ] - [ 0.0001607400000000, -0.0010486700000000, -0.0015760800000000 ] - [ 0.0001762300000000, 0.0002825900000000, 0.0001844800000000 ] - [ 0.0002759900000000, -0.0009592100000000, -0.0003542600000000 ] - [ 0.0015013000000000, -0.0029757000000000, 0.0008911700000000 ] - [ 0.0004064300000000, -0.0000138800000000, -0.0005792600000000 ] - [ 0.0007398300000000, 0.0000597000000000, 0.0030822900000000 ] - [ 0.0001710200000000, 0.0001765400000000, 0.0010900800000000 ] - [ 0.0001399600000000, -0.0006401400000000, 0.0006504100000000 ] - [ -0.0010197700000000, -0.0029504700000000, 0.0007838000000000 ] - [ -0.0001645700000000, 0.0004557800000000, 0.0007853600000000 ] - [ 0.0034274300000000, 0.0001870800000000, 0.0001295000000000 ] - [ -0.0000890100000000, 0.0015105300000000, 0.0032259800000000 ] - [ -0.0010558800000000, -0.0017152200000000, -0.0023499800000000 ] - [ -0.0002146900000000, 0.0003318700000000, 0.0010116400000000 ] - [ 0.0000811200000000, 0.0000217200000000, 0.0006804900000000 ] - [ -0.0000273200000000, -0.0002503400000000, 0.0007213500000000 ] - [ -0.0000204300000000, -0.0000734300000000, 0.0003172900000000 ] - [ 0.0001043400000000, -0.0001605700000000, 0.0007435200000000 ] - [ -0.0010191200000000, 0.0014999900000000, 0.0013452100000000 ] - [ -0.0000522500000000, -0.0002400200000000, 0.0003798400000000 ]- atom: 77 displacement: [ 0.0000185648863736, 0.0000000000000000, -0.0099999827672348 ] forces: - [ -0.0005466300000000, 0.0000886200000000, -0.0030590400000000 ] - [ 0.0017439000000000, 0.0013487200000000, 0.0006655400000000 ] - [ 0.0000619400000000, -0.0005689200000000, -0.0019820900000000 ] - [ -0.0000519300000000, 0.0000758200000000, 0.0004496000000000 ] - [ 0.0000130600000000, -0.0003697300000000, -0.0013195300000000 ] - [ -0.0004381500000000, 0.0001993000000000, 0.0008705100000000 ] - [ 0.0000594200000000, -0.0001620300000000, 0.0011400500000000 ] - [ 0.0003021000000000, -0.0003502800000000, 0.0006938500000000 ] - [ 0.0000354100000000, -0.0000255000000000, 0.0008016800000000 ] - [ 0.0001040700000000, 0.0002422400000000, 0.0007575400000000 ] - [ 0.0002256100000000, -0.0000621100000000, 0.0001755000000000 ] - [ 0.0001090600000000, 0.0002759800000000, 0.0002536500000000 ] - [ -0.0002407500000000, 0.0018601800000000, 0.0019388700000000 ] - [ -0.0023919500000000, -0.0011704300000000, -0.0030304500000000 ] - [ -0.0000909400000000, 0.0003564000000000, 0.0001492600000000 ] - [ -0.0001564300000000, 0.0001444600000000, -0.0007948400000000 ] - [ 0.0001067400000000, 0.0001457800000000, -0.0000048400000000 ] - [ 0.0000354800000000, -0.0000703500000000, 0.0004843500000000 ] - [ -0.0000732100000000, -0.0008132400000000, 0.0001595500000000 ] - [ 0.0000099900000000, 0.0004866900000000, -0.0001480500000000 ] - [ 0.0000192200000000, 0.0000421000000000, 0.0004277700000000 ] - [ -0.0000489600000000, -0.0001632100000000, 0.0005136900000000 ] - [ -0.0000331800000000, 0.0000020700000000, 0.0003219200000000 ] - [ 0.0000005400000000, -0.0001677700000000, 0.0000719100000000 ] - [ -0.0000154600000000, 0.0002967300000000, 0.0002113600000000 ] - [ -0.0000095300000000, -0.0001907000000000, 0.0003777600000000 ] - [ 0.0000076200000000, -0.0004059600000000, 0.0003031400000000 ] - [ -0.0000230000000000, -0.0002429700000000, 0.0003972300000000 ] - [ 0.0000218800000000, 0.0001337200000000, 0.0006054300000000 ] - [ -0.0003948800000000, -0.0005173400000000, 0.0005670300000000 ] - [ -0.0001098400000000, 0.0000572300000000, 0.0003482100000000 ] - [ -0.0000066000000000, -0.0000464000000000, 0.0006174800000000 ] - [ 0.0024677500000000, 0.0001089200000000, 0.0002307900000000 ] - [ -0.0000926800000000, -0.0003189700000000, -0.0015456900000000 ] - [ -0.0011945500000000, 0.0039311800000000, -0.0107466700000000 ] - [ -0.0000786900000000, 0.0000633400000000, 0.0004495800000000 ] - [ -0.0001994600000000, -0.0002915700000000, 0.0001344900000000 ] - [ -0.0005450200000000, -0.0006123700000000, -0.0006450200000000 ] - [ 0.0000809200000000, -0.0002378400000000, -0.0001283000000000 ] - [ 0.0003299000000000, -0.0002187700000000, 0.0002846000000000 ] - [ -0.0000547700000000, -0.0001777100000000, 0.0001278100000000 ] - [ 0.0013147400000000, 0.0005712700000000, -0.0034782000000000 ] - [ 0.0000795200000000, -0.0001407800000000, 0.0003326900000000 ] - [ -0.0000193100000000, -0.0002659500000000, 0.0003299200000000 ] - [ 0.0009327600000000, -0.0004866800000000, -0.0007064700000000 ] - [ -0.0004156700000000, 0.0002709300000000, -0.0008855900000000 ] - [ -0.0006812000000000, 0.0004098200000000, 0.0002688500000000 ] - [ -0.0001311100000000, -0.0000896500000000, 0.0004642200000000 ] - [ -0.0003627800000000, -0.0006737200000000, 0.0014535100000000 ] - [ 0.0007424600000000, -0.0022540500000000, 0.0009302600000000 ] - [ -0.0003895700000000, -0.0002426900000000, 0.0013041000000000 ] - [ -0.0001066800000000, 0.0000368400000000, 0.0010825200000000 ] - [ 0.0001887900000000, 0.0008114700000000, 0.0002825400000000 ] - [ 0.0002784100000000, 0.0000494300000000, 0.0009480000000000 ] - [ -0.0049981200000000, -0.0014846400000000, -0.0011005600000000 ] - [ -0.0003699200000000, -0.0001794600000000, 0.0005979000000000 ] - [ -0.0002288400000000, 0.0008798300000000, 0.0003656100000000 ] - [ 0.0002700400000000, -0.0001212800000000, 0.0016417100000000 ] - [ 0.0001420400000000, -0.0003391400000000, 0.0004978100000000 ] - [ -0.0003196100000000, 0.0018404600000000, 0.0022855000000000 ] - [ 0.0030333700000000, 0.0002114000000000, 0.0081640400000000 ] - [ 0.0018669200000000, -0.0001104700000000, 0.0001528900000000 ] - [ 0.0565247500000000, 0.0977482500000000, -0.1114227800000000 ] - [ -0.0000859800000000, -0.0023125300000000, 0.0008823200000000 ] - [ 0.0000650100000000, 0.0006051000000000, -0.0009513000000000 ] - [ 0.0001726200000000, 0.0001524300000000, -0.0012656200000000 ] - [ -0.0139918800000000, 0.0115866100000000, 0.0212950600000000 ] - [ -0.0001688000000000, -0.0004473200000000, -0.0006747900000000 ] - [ -0.0000232600000000, -0.0003580700000000, -0.0004423400000000 ] - [ 0.0000356400000000, 0.0000780900000000, -0.0006017400000000 ] - [ 0.0020006400000000, -0.0015292800000000, 0.0023632100000000 ] - [ 0.0170345700000000, -0.0033923900000000, 0.0047546500000000 ] - [ -0.0000409600000000, -0.0002118700000000, -0.0000071800000000 ] - [ -0.0006178600000000, -0.0000500000000000, -0.0011382100000000 ] - [ -0.0009350900000000, -0.0014166100000000, -0.0005400800000000 ] - [ 0.0006790300000000, -0.0001928800000000, -0.0006860200000000 ] - [ -0.0592293600000000, -0.1190891100000000, 0.1159364700000000 ] - [ -0.0000536700000000, -0.0001030100000000, -0.0001993800000000 ] - [ -0.0000632800000000, 0.0016646300000000, 0.0016145000000000 ] - [ 0.0001884700000000, 0.0005247000000000, 0.0005697500000000 ] - [ -0.0001703600000000, 0.0001319100000000, 0.0005664000000000 ] - [ -0.0000121800000000, 0.0022113500000000, -0.0019661300000000 ] - [ 0.0006291900000000, -0.0012198800000000, 0.0000191200000000 ] - [ 0.0002890700000000, -0.0000205700000000, -0.0012347900000000 ] - [ 0.0006610600000000, -0.0001009200000000, -0.0022443800000000 ] - [ 0.0001258300000000, 0.0001665500000000, -0.0006584100000000 ] - [ -0.0000258800000000, -0.0001392700000000, -0.0007743000000000 ] - [ -0.0003313000000000, -0.0001339800000000, -0.0009749300000000 ] - [ -0.0001804000000000, 0.0007970300000000, -0.0002384300000000 ] - [ -0.0001127300000000, 0.0006770400000000, 0.0005775000000000 ] - [ 0.0009223700000000, 0.0076844100000000, -0.0161291700000000 ] - [ -0.0003278900000000, -0.0004567800000000, -0.0007807300000000 ] - [ -0.0001688300000000, 0.0008854800000000, 0.0017731100000000 ] - [ -0.0001340600000000, -0.0008047300000000, -0.0003502300000000 ] - [ -0.0001679700000000, 0.0007578900000000, -0.0001076600000000 ] - [ -0.0015377300000000, 0.0024412200000000, -0.0008012400000000 ] - [ -0.0002882300000000, 0.0002267600000000, 0.0007969300000000 ] - [ -0.0006049300000000, -0.0005037500000000, -0.0029995400000000 ] - [ -0.0002997400000000, 0.0002679300000000, -0.0011517100000000 ] - [ -0.0001333000000000, 0.0004703200000000, -0.0008511700000000 ] - [ 0.0012445700000000, 0.0029216900000000, -0.0009298100000000 ] - [ 0.0001216500000000, 0.0000765800000000, -0.0006939100000000 ] - [ -0.0032867800000000, 0.0002603100000000, -0.0006375400000000 ] - [ 0.0001503600000000, -0.0015909600000000, -0.0029949400000000 ] - [ 0.0010571800000000, 0.0018779600000000, 0.0021401100000000 ] - [ 0.0002537600000000, -0.0008336000000000, -0.0011085200000000 ] - [ -0.0000265100000000, -0.0002430300000000, -0.0004839600000000 ] - [ 0.0002338800000000, 0.0001994600000000, -0.0006452600000000 ] - [ -0.0000626500000000, -0.0001451700000000, -0.0000368700000000 ] - [ -0.0001114500000000, 0.0003235900000000, -0.0005396700000000 ] - [ 0.0010650200000000, -0.0009721000000000, -0.0015072800000000 ] - [ -0.0000258700000000, 0.0001622600000000, -0.0005759800000000 ]- atom: 82 displacement: [ 0.0099999995909515, 0.0000000000000000, -0.0000028602394792 ] forces: - [ -0.0000765000000000, 0.0001422700000000, 0.0003718400000000 ] - [ -0.0002118700000000, -0.0002977000000000, 0.0000675000000000 ] - [ 0.0005615300000000, 0.0002250800000000, -0.0000767000000000 ] - [ -0.0002968000000000, 0.0001180800000000, -0.0001691800000000 ] - [ -0.0001266700000000, -0.0001335700000000, -0.0002863000000000 ] - [ -0.0011209300000000, 0.0013619700000000, 0.0021345400000000 ] - [ -0.0003179200000000, -0.0004539800000000, -0.0008984600000000 ] - [ 0.0003840500000000, -0.0003299800000000, 0.0001315900000000 ] - [ 0.0029615000000000, -0.0003883200000000, 0.0008220100000000 ] - [ 0.0001113100000000, -0.0002545000000000, -0.0004578700000000 ] - [ 0.0033512700000000, 0.0008175600000000, -0.0000649800000000 ] - [ -0.0000074700000000, -0.0004168400000000, -0.0001578400000000 ] - [ -0.0001351900000000, -0.0003377200000000, 0.0003228700000000 ] - [ 0.0000454500000000, -0.0001865300000000, 0.0001680700000000 ] - [ 0.0006355900000000, -0.0003856500000000, -0.0001401100000000 ] - [ -0.0001027300000000, 0.0000602100000000, -0.0000235200000000 ] - [ 0.0000669500000000, -0.0000764800000000, -0.0000449500000000 ] - [ -0.0000166800000000, -0.0000988800000000, 0.0002861400000000 ] - [ 0.0026461800000000, 0.0002882500000000, -0.0008550900000000 ] - [ -0.0002426300000000, 0.0000884500000000, 0.0000737700000000 ] - [ -0.0007772000000000, 0.0002366100000000, 0.0002625700000000 ] - [ -0.0000524200000000, -0.0000830100000000, 0.0001059100000000 ] - [ -0.0000041900000000, 0.0000231700000000, 0.0000471100000000 ] - [ 0.0032087200000000, -0.0008549700000000, 0.0002249000000000 ] - [ -0.0000041900000000, 0.0000155300000000, 0.0000229800000000 ] - [ -0.0000206700000000, -0.0000785800000000, 0.0001166700000000 ] - [ -0.0000096500000000, -0.0001875300000000, 0.0000327300000000 ] - [ 0.0000042400000000, -0.0001627800000000, 0.0002616200000000 ] - [ 0.0000969700000000, 0.0000926100000000, -0.0000774400000000 ] - [ -0.0000046000000000, -0.0002813300000000, -0.0000048300000000 ] - [ -0.0001203300000000, -0.0000285300000000, 0.0000911900000000 ] - [ 0.0000336000000000, -0.0000752400000000, -0.0000284600000000 ] - [ -0.0000916800000000, -0.0000034100000000, 0.0002422400000000 ] - [ 0.0000738500000000, -0.0000697600000000, 0.0002192100000000 ] - [ 0.0000321700000000, -0.0001716800000000, 0.0000930800000000 ] - [ -0.0004848900000000, 0.0001444800000000, -0.0002390100000000 ] - [ 0.0095903000000000, 0.0025242900000000, 0.0015471400000000 ] - [ -0.0000298700000000, 0.0003532700000000, -0.0003613600000000 ] - [ -0.0005326900000000, 0.0001355600000000, -0.0000015700000000 ] - [ 0.0001323000000000, -0.0000349200000000, -0.0000255400000000 ] - [ -0.0000124300000000, -0.0001737400000000, -0.0002215400000000 ] - [ 0.0000195300000000, -0.0000566900000000, -0.0000944500000000 ] - [ 0.0000217500000000, -0.0001951200000000, 0.0000463800000000 ] - [ -0.0000125500000000, -0.0002876100000000, 0.0000692700000000 ] - [ -0.0000295400000000, 0.0001148200000000, 0.0001950400000000 ] - [ -0.0000624400000000, -0.0000090400000000, -0.0000372500000000 ] - [ -0.0001976900000000, 0.0017472400000000, -0.0007904500000000 ] - [ -0.0007498800000000, -0.0001618800000000, -0.0001358800000000 ] - [ 0.0001797500000000, -0.0001112400000000, 0.0003258900000000 ] - [ 0.0003423800000000, -0.0000643400000000, 0.0003012400000000 ] - [ -0.0004834200000000, -0.0001773800000000, 0.0001125200000000 ] - [ 0.0018049600000000, -0.0026424200000000, 0.0007485400000000 ] - [ -0.0015487300000000, -0.0018066700000000, -0.0002559000000000 ] - [ 0.0019506800000000, 0.0009900300000000, -0.0000428200000000 ] - [ -0.0002398000000000, 0.0002398600000000, 0.0000886600000000 ] - [ -0.0002657600000000, -0.0001138300000000, -0.0000264000000000 ] - [ -0.0016492600000000, 0.0003984800000000, -0.0002494900000000 ] - [ 0.0003167100000000, 0.0000651700000000, 0.0000406200000000 ] - [ 0.0000727000000000, -0.0002509000000000, -0.0000078400000000 ] - [ -0.0000776800000000, -0.0001922600000000, 0.0003195000000000 ] - [ 0.0704560900000000, 0.0591252800000000, -0.0297568000000000 ] - [ -0.0077453500000000, 0.0039826000000000, -0.0007978000000000 ] - [ -0.0001355300000000, -0.0006702100000000, 0.0002221800000000 ] - [ -0.0000567900000000, -0.0001012000000000, 0.0003386200000000 ] - [ -0.0003328700000000, -0.0000594200000000, 0.0001235500000000 ] - [ 0.0001830100000000, -0.0005628000000000, -0.0000376200000000 ] - [ -0.0001851400000000, -0.0006983300000000, -0.0005267900000000 ] - [ 0.0016439700000000, 0.0004312200000000, 0.0010290100000000 ] - [ -0.0000171800000000, -0.0002948000000000, 0.0000165400000000 ] - [ 0.0000300900000000, -0.0000808100000000, -0.0001563100000000 ] - [ -0.0000934700000000, 0.0001889100000000, -0.0000351600000000 ] - [ -0.0004706900000000, 0.0000791800000000, 0.0004095700000000 ] - [ -0.0000360800000000, -0.0002211100000000, 0.0002377400000000 ] - [ -0.0000291700000000, -0.0000621500000000, -0.0001908800000000 ] - [ 0.0000642600000000, 0.0004231100000000, -0.0002648100000000 ] - [ 0.0000913500000000, -0.0002186500000000, -0.0003120200000000 ] - [ 0.0005459200000000, 0.0006192400000000, -0.0000097900000000 ] - [ -0.0000886600000000, -0.0000833700000000, -0.0003149900000000 ] - [ 0.0000892900000000, -0.0000523500000000, 0.0000203000000000 ] - [ 0.0003567700000000, -0.0010854400000000, -0.0001169200000000 ] - [ 0.0022470100000000, 0.0002398700000000, 0.0003454100000000 ] - [ -0.0783632000000000, -0.0757108000000000, 0.0268731400000000 ] - [ -0.0006620500000000, 0.0017500700000000, 0.0001729000000000 ] - [ -0.0000178300000000, -0.0001017700000000, -0.0003022200000000 ] - [ 0.0001385400000000, -0.0000998100000000, -0.0001641600000000 ] - [ -0.0025677000000000, 0.0002616300000000, -0.0002054800000000 ] - [ 0.0002002800000000, -0.0015287500000000, 0.0002973500000000 ] - [ -0.0001108900000000, -0.0002062200000000, -0.0002319400000000 ] - [ 0.0034634000000000, -0.0030292700000000, 0.0008871400000000 ] - [ 0.0016090000000000, 0.0033535100000000, 0.0012506100000000 ] - [ -0.0057668600000000, -0.0023036400000000, -0.0078745500000000 ] - [ 0.0001463300000000, -0.0000070500000000, 0.0001152900000000 ] - [ 0.0000182000000000, -0.0001973900000000, -0.0000013100000000 ] - [ 0.0000440700000000, -0.0002133000000000, -0.0002117500000000 ] - [ 0.0000108800000000, -0.0001017100000000, -0.0002250200000000 ] - [ -0.0000174200000000, -0.0001908500000000, 0.0000225000000000 ] - [ 0.0009206300000000, -0.0001040700000000, -0.0005432000000000 ] - [ -0.0000061500000000, -0.0002394000000000, -0.0002153300000000 ] - [ 0.0005246100000000, 0.0017138400000000, 0.0000609100000000 ] - [ 0.0002395700000000, -0.0000487100000000, -0.0001472900000000 ] - [ 0.0001341800000000, 0.0000659600000000, -0.0001367500000000 ] - [ 0.0003424000000000, 0.0026824900000000, -0.0006211900000000 ] - [ 0.0103519100000000, 0.0111741500000000, -0.0053010200000000 ] - [ 0.0000323800000000, -0.0001003900000000, 0.0000119400000000 ] - [ 0.0000304900000000, -0.0002180500000000, -0.0001538800000000 ] - [ -0.0003465700000000, -0.0003814400000000, -0.0001681100000000 ] - [ -0.0000201100000000, -0.0001316900000000, 0.0000349000000000 ] - [ 0.0000099400000000, 0.0008241300000000, -0.0000792500000000 ] - [ -0.0000476500000000, -0.0001599400000000, 0.0000596000000000 ] - [ 0.0000422900000000, 0.0001331000000000, 0.0003094800000000 ] - [ -0.0153556400000000, 0.0036456900000000, 0.0123420400000000 ] - [ -0.0000213200000000, 0.0000229400000000, -0.0001965200000000 ]- atom: 82 displacement: [ -0.0099999995909515, 0.0000000000000000, 0.0000028602394792 ] forces: - [ 0.0000950700000000, 0.0001096500000000, 0.0000679200000000 ] - [ -0.0003094000000000, -0.0002981500000000, -0.0002059000000000 ] - [ -0.0000388200000000, 0.0003697700000000, 0.0002134300000000 ] - [ 0.0002754800000000, 0.0001332600000000, -0.0002647200000000 ] - [ 0.0001052100000000, -0.0001179100000000, -0.0001507000000000 ] - [ 0.0006420100000000, -0.0007804300000000, -0.0022935300000000 ] - [ 0.0003406400000000, 0.0002074300000000, 0.0013369500000000 ] - [ 0.0001382300000000, -0.0002676900000000, 0.0000084600000000 ] - [ -0.0029369700000000, 0.0006028600000000, -0.0007970400000000 ] - [ 0.0000070200000000, 0.0005301400000000, 0.0006441800000000 ] - [ -0.0037145600000000, -0.0001378400000000, -0.0000408900000000 ] - [ 0.0000038800000000, 0.0003809400000000, 0.0001313900000000 ] - [ -0.0001241500000000, 0.0003822700000000, -0.0002010100000000 ] - [ 0.0001276000000000, -0.0000119600000000, 0.0000015800000000 ] - [ -0.0004997000000000, 0.0005476300000000, -0.0000241900000000 ] - [ -0.0000740200000000, 0.0001344200000000, -0.0001444600000000 ] - [ 0.0000581500000000, -0.0000911300000000, -0.0001157700000000 ] - [ -0.0000195900000000, -0.0001241700000000, -0.0002945100000000 ] - [ -0.0027744200000000, -0.0001079600000000, 0.0010265700000000 ] - [ 0.0002448500000000, 0.0004741300000000, 0.0000009400000000 ] - [ 0.0008017300000000, 0.0000919000000000, 0.0002066900000000 ] - [ -0.0000715400000000, -0.0000841900000000, 0.0000579800000000 ] - [ 0.0000035700000000, 0.0000100700000000, -0.0000183300000000 ] - [ -0.0032566800000000, 0.0012178300000000, -0.0002162200000000 ] - [ 0.0000049900000000, 0.0000175900000000, -0.0000490300000000 ] - [ -0.0000973800000000, -0.0001995300000000, -0.0003116300000000 ] - [ -0.0000240800000000, -0.0001848600000000, -0.0000210300000000 ] - [ 0.0000186700000000, -0.0001679000000000, 0.0002079700000000 ] - [ 0.0000786600000000, 0.0001036100000000, 0.0002471700000000 ] - [ 0.0000021100000000, -0.0002818300000000, -0.0000702500000000 ] - [ -0.0001371400000000, -0.0000262200000000, 0.0000288800000000 ] - [ 0.0000639100000000, -0.0000123400000000, 0.0002309500000000 ] - [ 0.0000601700000000, 0.0003323300000000, -0.0007144700000000 ] - [ 0.0000456800000000, -0.0002103900000000, -0.0000155200000000 ] - [ 0.0000050000000000, -0.0000516300000000, -0.0000786300000000 ] - [ 0.0003853900000000, -0.0000534700000000, 0.0000374200000000 ] - [ -0.0086446900000000, -0.0022339200000000, -0.0015222700000000 ] - [ -0.0000880000000000, -0.0000705500000000, 0.0001563100000000 ] - [ 0.0005330700000000, -0.0001681600000000, 0.0000253300000000 ] - [ 0.0001259500000000, -0.0000213100000000, -0.0000940500000000 ] - [ -0.0000110900000000, -0.0001577300000000, -0.0002467000000000 ] - [ -0.0000533200000000, 0.0002740900000000, 0.0000828300000000 ] - [ 0.0000127400000000, -0.0001783400000000, -0.0000558600000000 ] - [ 0.0000155400000000, -0.0002763300000000, 0.0000074200000000 ] - [ 0.0001258300000000, -0.0000312100000000, -0.0000035800000000 ] - [ -0.0000355500000000, -0.0000701400000000, -0.0001495700000000 ] - [ 0.0002371200000000, -0.0013583300000000, 0.0007693900000000 ] - [ 0.0005739000000000, -0.0000343300000000, -0.0000274200000000 ] - [ 0.0002736800000000, -0.0001274800000000, -0.0000397100000000 ] - [ 0.0002396400000000, -0.0001601100000000, 0.0000482200000000 ] - [ -0.0000983100000000, -0.0000441800000000, -0.0004516900000000 ] - [ -0.0019544100000000, 0.0028322200000000, -0.0002731300000000 ] - [ 0.0017443200000000, 0.0022193000000000, -0.0000178700000000 ] - [ -0.0013808400000000, -0.0007842000000000, 0.0003875100000000 ] - [ -0.0003336100000000, -0.0000128400000000, -0.0004440000000000 ] - [ -0.0001882700000000, -0.0001212100000000, -0.0002481200000000 ] - [ 0.0011950500000000, -0.0001697300000000, -0.0000388300000000 ] - [ -0.0001646900000000, -0.0002574900000000, -0.0005098500000000 ] - [ 0.0001235800000000, -0.0001697600000000, -0.0002624900000000 ] - [ -0.0001173600000000, -0.0002297200000000, -0.0000419900000000 ] - [ -0.0700718500000000, -0.0590368100000000, 0.0302646900000000 ] - [ 0.0081929400000000, -0.0037628300000000, 0.0010786900000000 ] - [ 0.0003028200000000, 0.0008660200000000, -0.0006441300000000 ] - [ -0.0000933700000000, -0.0000961500000000, 0.0001411200000000 ] - [ 0.0001345700000000, 0.0001104100000000, -0.0001876800000000 ] - [ -0.0003204500000000, 0.0007769100000000, -0.0001501200000000 ] - [ -0.0000066400000000, 0.0006328500000000, 0.0004552800000000 ] - [ -0.0016516800000000, -0.0002215600000000, -0.0012018000000000 ] - [ -0.0000290800000000, -0.0002254400000000, 0.0001708100000000 ] - [ 0.0000485300000000, -0.0001530600000000, -0.0001034300000000 ] - [ -0.0001407100000000, -0.0001583200000000, 0.0001819200000000 ] - [ 0.0003370900000000, 0.0001151100000000, 0.0000498700000000 ] - [ -0.0001199900000000, -0.0002206700000000, 0.0002854700000000 ] - [ 0.0000199300000000, -0.0001459500000000, 0.0000156100000000 ] - [ 0.0000209000000000, -0.0001778900000000, 0.0000128300000000 ] - [ 0.0000659300000000, -0.0002237700000000, -0.0002140400000000 ] - [ -0.0005001500000000, -0.0000750700000000, -0.0000941100000000 ] - [ -0.0000221500000000, -0.0001092800000000, 0.0007702200000000 ] - [ 0.0001063000000000, 0.0001026900000000, 0.0000424300000000 ] - [ -0.0003490800000000, 0.0012988100000000, 0.0002945400000000 ] - [ -0.0024030600000000, 0.0002029500000000, 0.0001812000000000 ] - [ 0.0775406800000000, 0.0758767800000000, -0.0269780800000000 ] - [ 0.0006032300000000, -0.0016429500000000, -0.0003606500000000 ] - [ -0.0001120200000000, -0.0000993000000000, 0.0000986500000000 ] - [ -0.0000052300000000, -0.0001005900000000, 0.0003543500000000 ] - [ 0.0026863400000000, -0.0000648200000000, -0.0002568500000000 ] - [ 0.0000309000000000, 0.0015774500000000, -0.0004501000000000 ] - [ -0.0000195100000000, -0.0002316500000000, 0.0001522800000000 ] - [ -0.0035160000000000, 0.0032570200000000, -0.0006301200000000 ] - [ -0.0016564500000000, -0.0028237500000000, -0.0010528300000000 ] - [ 0.0058558200000000, 0.0027711700000000, 0.0078351300000000 ] - [ -0.0003819400000000, -0.0000245600000000, 0.0000266400000000 ] - [ -0.0000125100000000, 0.0000340800000000, 0.0001864600000000 ] - [ 0.0000035300000000, -0.0003049400000000, 0.0000190500000000 ] - [ 0.0000975100000000, -0.0000924900000000, -0.0002360100000000 ] - [ -0.0000248200000000, -0.0003372100000000, 0.0000665600000000 ] - [ -0.0007881500000000, 0.0003044900000000, 0.0007554600000000 ] - [ 0.0001339000000000, -0.0001984700000000, 0.0002813200000000 ] - [ -0.0006561300000000, -0.0012693900000000, -0.0001312600000000 ] - [ -0.0002432700000000, -0.0001121900000000, -0.0000425800000000 ] - [ 0.0001016100000000, -0.0000926200000000, -0.0000104500000000 ] - [ -0.0003853400000000, -0.0021457900000000, 0.0007080400000000 ] - [ -0.0101682100000000, -0.0108879000000000, 0.0048508200000000 ] - [ 0.0000213900000000, 0.0000028200000000, 0.0001759700000000 ] - [ -0.0000364200000000, 0.0003746500000000, -0.0000320600000000 ] - [ 0.0003896900000000, -0.0001528300000000, 0.0000731100000000 ] - [ 0.0000261800000000, -0.0000794500000000, 0.0001331600000000 ] - [ 0.0001872500000000, -0.0008752600000000, 0.0001437100000000 ] - [ -0.0000305000000000, -0.0000739900000000, 0.0001978500000000 ] - [ -0.0000356200000000, 0.0000321400000000, -0.0001222300000000 ] - [ 0.0153449600000000, -0.0030847400000000, -0.0125797700000000 ] - [ -0.0000314800000000, -0.0001194000000000, 0.0000044700000000 ]- atom: 82 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0003993300000000, 0.0003116700000000, 0.0009103300000000 ] - [ -0.0000209200000000, -0.0001885300000000, 0.0007311300000000 ] - [ 0.0003511300000000, -0.0002621800000000, -0.0008720200000000 ] - [ -0.0000409800000000, 0.0000799900000000, 0.0003387500000000 ] - [ -0.0000192000000000, -0.0001872600000000, -0.0007649000000000 ] - [ 0.0018561200000000, 0.0030802200000000, -0.0030443900000000 ] - [ 0.0001849300000000, 0.0006082800000000, -0.0007091000000000 ] - [ 0.0002914700000000, -0.0004746600000000, 0.0008294600000000 ] - [ -0.0003315600000000, 0.0024100200000000, 0.0024582200000000 ] - [ -0.0003503100000000, -0.0018023900000000, -0.0019330500000000 ] - [ 0.0037153000000000, 0.0041028000000000, -0.0001539000000000 ] - [ -0.0009965300000000, -0.0022020400000000, -0.0004491100000000 ] - [ -0.0003028100000000, -0.0023830800000000, 0.0010694700000000 ] - [ -0.0003071200000000, -0.0009369300000000, -0.0000635000000000 ] - [ 0.0017554400000000, -0.0022456900000000, -0.0002651800000000 ] - [ -0.0001169500000000, -0.0001658400000000, 0.0002305700000000 ] - [ 0.0000802000000000, 0.0000044700000000, 0.0000955100000000 ] - [ -0.0001004700000000, 0.0002451600000000, 0.0003601300000000 ] - [ 0.0001894300000000, 0.0032351100000000, -0.0061015700000000 ] - [ -0.0000840200000000, -0.0007657400000000, -0.0000786900000000 ] - [ 0.0000263800000000, 0.0007775000000000, 0.0000601400000000 ] - [ -0.0000402000000000, -0.0001635600000000, 0.0002590500000000 ] - [ -0.0000134000000000, -0.0000659200000000, 0.0002010500000000 ] - [ -0.0002199000000000, 0.0002288900000000, -0.0002667000000000 ] - [ -0.0000192900000000, 0.0000992100000000, 0.0001824100000000 ] - [ -0.0000146600000000, -0.0004169500000000, 0.0001683100000000 ] - [ -0.0000064200000000, -0.0002269300000000, 0.0001685300000000 ] - [ 0.0000003600000000, -0.0001930700000000, 0.0003732400000000 ] - [ 0.0002058400000000, 0.0003823000000000, 0.0006729100000000 ] - [ -0.0000228400000000, -0.0003530900000000, 0.0001459900000000 ] - [ -0.0001226000000000, 0.0000511600000000, 0.0002729700000000 ] - [ 0.0000148500000000, -0.0003173100000000, 0.0004336400000000 ] - [ -0.0008002600000000, -0.0005245300000000, 0.0001613100000000 ] - [ 0.0000915300000000, 0.0002125500000000, 0.0005578700000000 ] - [ 0.0000712800000000, -0.0006055000000000, 0.0006369700000000 ] - [ -0.0000053500000000, -0.0007469900000000, -0.0006016100000000 ] - [ -0.0010513800000000, 0.0031973000000000, 0.0002483500000000 ] - [ 0.0000697500000000, 0.0010591900000000, -0.0005763100000000 ] - [ 0.0000073700000000, 0.0011445500000000, -0.0001475600000000 ] - [ 0.0001405600000000, -0.0001145400000000, 0.0001266300000000 ] - [ 0.0000212200000000, -0.0001287000000000, -0.0000815600000000 ] - [ 0.0002780600000000, -0.0007616600000000, -0.0002485700000000 ] - [ 0.0000183000000000, -0.0001520500000000, 0.0001562200000000 ] - [ -0.0000100500000000, -0.0002048800000000, 0.0002002500000000 ] - [ -0.0001228100000000, 0.0008403100000000, -0.0003095600000000 ] - [ -0.0000778500000000, 0.0002046700000000, 0.0001790300000000 ] - [ 0.0012886100000000, 0.0000587800000000, 0.0004347900000000 ] - [ 0.0000368200000000, 0.0007625500000000, -0.0004741300000000 ] - [ 0.0001109400000000, -0.0001455500000000, 0.0007812700000000 ] - [ 0.0004088500000000, -0.0000321100000000, 0.0007961200000000 ] - [ -0.0003250300000000, -0.0003491500000000, 0.0004085600000000 ] - [ -0.0028667100000000, -0.0043184600000000, 0.0018303800000000 ] - [ -0.0007984700000000, -0.0037564100000000, -0.0014078000000000 ] - [ 0.0025022900000000, -0.0041124400000000, 0.0009504600000000 ] - [ 0.0008507300000000, 0.0008059000000000, 0.0014018600000000 ] - [ -0.0003451300000000, -0.0001137000000000, 0.0005567900000000 ] - [ 0.0001444400000000, -0.0030617400000000, -0.0018037800000000 ] - [ -0.0002167800000000, 0.0008197400000000, 0.0004287700000000 ] - [ 0.0001587800000000, -0.0002466000000000, 0.0005419800000000 ] - [ -0.0000319700000000, -0.0000974000000000, 0.0009395700000000 ] - [ 0.0619778400000000, 0.2183033700000000, -0.0683814800000000 ] - [ -0.0106800700000000, 0.0016583600000000, 0.0007518300000000 ] - [ 0.0020434700000000, -0.0011389000000000, 0.0083975000000000 ] - [ -0.0001034800000000, -0.0001231600000000, 0.0008263900000000 ] - [ -0.0002516600000000, 0.0000363900000000, 0.0004067700000000 ] - [ -0.0022181800000000, 0.0024862100000000, 0.0016863400000000 ] - [ 0.0006248000000000, -0.0033461300000000, -0.0016191000000000 ] - [ 0.0005145700000000, 0.0023457100000000, 0.0017251700000000 ] - [ 0.0001293800000000, -0.0003610900000000, -0.0004090700000000 ] - [ -0.0000325900000000, 0.0000009400000000, -0.0005013000000000 ] - [ -0.0003356100000000, 0.0013760900000000, -0.0004801800000000 ] - [ -0.0031219500000000, 0.0001157900000000, 0.0000950100000000 ] - [ -0.0000689700000000, -0.0002207000000000, 0.0000074400000000 ] - [ -0.0001606700000000, -0.0000044700000000, -0.0005750100000000 ] - [ 0.0013876600000000, 0.0045658900000000, 0.0010022500000000 ] - [ 0.0000702200000000, -0.0002324900000000, -0.0005082500000000 ] - [ 0.0011782600000000, 0.0035764800000000, -0.0022083600000000 ] - [ 0.0002049500000000, -0.0000532000000000, 0.0003737000000000 ] - [ 0.0000266800000000, -0.0004367700000000, -0.0000896100000000 ] - [ -0.0024924500000000, 0.0020333100000000, 0.0018150900000000 ] - [ 0.0004213000000000, 0.0001898800000000, 0.0003744300000000 ] - [ -0.0737701900000000, -0.2575425900000000, 0.0828743200000000 ] - [ -0.0017200300000000, 0.0048049400000000, 0.0007350500000000 ] - [ 0.0002061700000000, -0.0000837200000000, -0.0011984300000000 ] - [ 0.0003228600000000, -0.0001195600000000, -0.0009248200000000 ] - [ 0.0000614800000000, 0.0043541300000000, -0.0025610800000000 ] - [ -0.0010714600000000, 0.0015181400000000, -0.0009024800000000 ] - [ -0.0003233300000000, -0.0001657700000000, -0.0010841900000000 ] - [ 0.0030254800000000, -0.0057400300000000, 0.0014147500000000 ] - [ 0.0036237100000000, 0.0034923900000000, 0.0025146400000000 ] - [ -0.0079617900000000, -0.0023130100000000, -0.0309079700000000 ] - [ -0.0000807300000000, -0.0004220600000000, -0.0000059800000000 ] - [ 0.0000402600000000, -0.0006370700000000, -0.0000943200000000 ] - [ 0.0001538900000000, -0.0001416500000000, -0.0006232800000000 ] - [ 0.0000216400000000, -0.0000846200000000, -0.0001755000000000 ] - [ -0.0000677500000000, 0.0003116700000000, -0.0001430400000000 ] - [ 0.0012558000000000, -0.0001002100000000, -0.0025480200000000 ] - [ -0.0002443400000000, -0.0003187900000000, -0.0012409500000000 ] - [ 0.0019029400000000, 0.0025671800000000, 0.0014184700000000 ] - [ -0.0000640300000000, 0.0004405200000000, -0.0003132300000000 ] - [ 0.0001735900000000, 0.0005214900000000, -0.0003190400000000 ] - [ 0.0012240700000000, 0.0010479900000000, -0.0012107700000000 ] - [ 0.0332134200000000, -0.0024029400000000, 0.0029346800000000 ] - [ 0.0000812800000000, -0.0002322900000000, -0.0003657200000000 ] - [ -0.0003384000000000, -0.0017294400000000, -0.0004137100000000 ] - [ 0.0001875500000000, -0.0017538600000000, -0.0015908000000000 ] - [ -0.0001550300000000, -0.0002085400000000, -0.0004276600000000 ] - [ 0.0006021500000000, 0.0032027100000000, -0.0002671600000000 ] - [ -0.0000900700000000, -0.0001843700000000, -0.0001736100000000 ] - [ -0.0005368000000000, 0.0033092200000000, -0.0001184100000000 ] - [ -0.0135172100000000, 0.0258647900000000, 0.0125730700000000 ] - [ 0.0000416900000000, 0.0000750800000000, -0.0004903600000000 ]- atom: 82 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0004220000000000, -0.0000594800000000, -0.0004739400000000 ] - [ -0.0005019600000000, -0.0004020600000000, -0.0008666600000000 ] - [ 0.0001695900000000, 0.0008552700000000, 0.0010051700000000 ] - [ 0.0000206900000000, 0.0001746700000000, -0.0007794000000000 ] - [ -0.0000027100000000, -0.0000648000000000, 0.0003265200000000 ] - [ -0.0023578700000000, -0.0025266900000000, 0.0029025300000000 ] - [ -0.0001769500000000, -0.0008756100000000, 0.0011405500000000 ] - [ 0.0002296000000000, -0.0001158700000000, -0.0007013700000000 ] - [ 0.0003713100000000, -0.0021517500000000, -0.0025525600000000 ] - [ 0.0004694100000000, 0.0020861300000000, 0.0021292300000000 ] - [ -0.0038240600000000, -0.0035070400000000, 0.0000703200000000 ] - [ 0.0010080400000000, 0.0021708900000000, 0.0004270400000000 ] - [ 0.0000426100000000, 0.0024527100000000, -0.0009662600000000 ] - [ 0.0004841600000000, 0.0007503600000000, 0.0002350200000000 ] - [ -0.0016540400000000, 0.0024194200000000, 0.0000995500000000 ] - [ -0.0000579800000000, 0.0003559300000000, -0.0004046800000000 ] - [ 0.0000358900000000, -0.0001749000000000, -0.0002666100000000 ] - [ 0.0000611000000000, -0.0004685700000000, -0.0003815200000000 ] - [ -0.0003066800000000, -0.0030382700000000, 0.0063530700000000 ] - [ 0.0000859400000000, 0.0013312500000000, 0.0001537000000000 ] - [ -0.0000058000000000, -0.0004453300000000, 0.0004101500000000 ] - [ -0.0000766200000000, -0.0000084700000000, -0.0000901400000000 ] - [ 0.0000149000000000, 0.0000998600000000, -0.0001765000000000 ] - [ 0.0001802000000000, 0.0006921400000000, 0.0003985300000000 ] - [ 0.0000169200000000, -0.0000641500000000, -0.0002091600000000 ] - [ -0.0001039100000000, 0.0001339300000000, -0.0003514700000000 ] - [ -0.0000273800000000, -0.0001466000000000, -0.0001590200000000 ] - [ 0.0000206900000000, -0.0001373100000000, 0.0000940600000000 ] - [ -0.0000299700000000, -0.0001883600000000, -0.0005039900000000 ] - [ 0.0000206900000000, -0.0002106500000000, -0.0002203200000000 ] - [ -0.0001338400000000, -0.0001073000000000, -0.0001534400000000 ] - [ 0.0000815900000000, 0.0002315100000000, -0.0002365900000000 ] - [ 0.0007843000000000, 0.0008567600000000, -0.0006326500000000 ] - [ 0.0000276300000000, -0.0004971200000000, -0.0003744300000000 ] - [ -0.0000339200000000, 0.0003838100000000, -0.0006254600000000 ] - [ -0.0000894400000000, 0.0008293000000000, 0.0004041900000000 ] - [ 0.0014103900000000, -0.0031312500000000, -0.0003532300000000 ] - [ -0.0001907500000000, -0.0007802200000000, 0.0003912300000000 ] - [ -0.0000072300000000, -0.0011816600000000, 0.0001759300000000 ] - [ 0.0001166400000000, 0.0000574400000000, -0.0002483100000000 ] - [ -0.0000433100000000, -0.0002018600000000, -0.0003882500000000 ] - [ -0.0003174900000000, 0.0009881900000000, 0.0002341700000000 ] - [ 0.0000153700000000, -0.0002209000000000, -0.0001679100000000 ] - [ 0.0000119300000000, -0.0003579600000000, -0.0001277100000000 ] - [ 0.0002198500000000, -0.0007661800000000, 0.0005005200000000 ] - [ -0.0000187300000000, -0.0002858000000000, -0.0003734300000000 ] - [ -0.0012565400000000, 0.0003006100000000, -0.0004355900000000 ] - [ -0.0002121800000000, -0.0009543000000000, 0.0003032900000000 ] - [ 0.0003385300000000, -0.0000877100000000, -0.0005116400000000 ] - [ 0.0001701000000000, -0.0001924000000000, -0.0004505100000000 ] - [ -0.0002478000000000, 0.0001280700000000, -0.0007666800000000 ] - [ 0.0027077900000000, 0.0045057200000000, -0.0013164400000000 ] - [ 0.0009981500000000, 0.0041983100000000, 0.0011234900000000 ] - [ -0.0019100700000000, 0.0043410500000000, -0.0005746400000000 ] - [ -0.0014385200000000, -0.0005823100000000, -0.0017559500000000 ] - [ -0.0001044300000000, -0.0001181500000000, -0.0008393200000000 ] - [ -0.0005996200000000, 0.0033146300000000, 0.0015219400000000 ] - [ 0.0003639600000000, -0.0010258000000000, -0.0009238100000000 ] - [ 0.0000333700000000, -0.0001684500000000, -0.0008257600000000 ] - [ -0.0001607400000000, -0.0003197100000000, -0.0006729100000000 ] - [ -0.0661819300000000, -0.2280669400000000, 0.0732246000000000 ] - [ 0.0111739600000000, -0.0014418100000000, -0.0004808100000000 ] - [ -0.0018966500000000, 0.0013608100000000, -0.0089243900000000 ] - [ -0.0000439700000000, -0.0000724900000000, -0.0003490100000000 ] - [ 0.0000501200000000, 0.0000206200000000, -0.0004864000000000 ] - [ 0.0020774100000000, -0.0022727100000000, -0.0018822100000000 ] - [ -0.0008343800000000, 0.0033078000000000, 0.0015496000000000 ] - [ -0.0005148100000000, -0.0021464700000000, -0.0018959800000000 ] - [ -0.0001703700000000, -0.0001555300000000, 0.0005806700000000 ] - [ 0.0001132000000000, -0.0002295600000000, 0.0002277200000000 ] - [ 0.0001044400000000, -0.0013484700000000, 0.0006185000000000 ] - [ 0.0030340200000000, 0.0000805800000000, 0.0003590800000000 ] - [ -0.0000853200000000, -0.0002238600000000, 0.0005112600000000 ] - [ 0.0001609900000000, -0.0002034500000000, 0.0004186300000000 ] - [ -0.0013164800000000, -0.0043563500000000, -0.0012797900000000 ] - [ 0.0000857200000000, -0.0002129100000000, -0.0000091900000000 ] - [ -0.0011441300000000, -0.0030666400000000, 0.0021198800000000 ] - [ -0.0003159200000000, -0.0001454300000000, 0.0000821900000000 ] - [ 0.0001771000000000, 0.0004904600000000, 0.0001699500000000 ] - [ 0.0025058000000000, -0.0018535200000000, -0.0016576900000000 ] - [ -0.0005770800000000, 0.0002545100000000, 0.0001451900000000 ] - [ 0.0778413100000000, 0.2672555000000000, -0.0873708000000000 ] - [ 0.0016728900000000, -0.0047268000000000, -0.0009443000000000 ] - [ -0.0003396000000000, -0.0001256100000000, 0.0010145800000000 ] - [ -0.0001933200000000, -0.0000895900000000, 0.0011262300000000 ] - [ 0.0000436100000000, -0.0041508100000000, 0.0020990200000000 ] - [ 0.0013014300000000, -0.0015064000000000, 0.0007617000000000 ] - [ 0.0001956800000000, -0.0002781900000000, 0.0010270800000000 ] - [ -0.0031331700000000, 0.0059957500000000, -0.0011476200000000 ] - [ -0.0036807700000000, -0.0030041000000000, -0.0023495200000000 ] - [ 0.0082554900000000, 0.0029271900000000, 0.0313142400000000 ] - [ -0.0001541300000000, 0.0003854700000000, 0.0001420700000000 ] - [ -0.0000445600000000, 0.0004726200000000, 0.0002945300000000 ] - [ -0.0001131500000000, -0.0003807900000000, 0.0004554200000000 ] - [ 0.0000844100000000, -0.0001138900000000, -0.0002731400000000 ] - [ 0.0000224500000000, -0.0008584600000000, 0.0002525800000000 ] - [ -0.0011305400000000, 0.0003120000000000, 0.0027538600000000 ] - [ 0.0003768700000000, -0.0001238400000000, 0.0013187300000000 ] - [ -0.0020207700000000, -0.0021155200000000, -0.0014854600000000 ] - [ 0.0000705700000000, -0.0006116600000000, 0.0001217300000000 ] - [ 0.0000601700000000, -0.0005605000000000, 0.0001885500000000 ] - [ -0.0012652300000000, -0.0005259200000000, 0.0013083900000000 ] - [ -0.0333865000000000, 0.0030267600000000, -0.0035780800000000 ] - [ -0.0000235000000000, 0.0001418200000000, 0.0005783300000000 ] - [ 0.0003445300000000, 0.0019029800000000, 0.0002187000000000 ] - [ -0.0001446500000000, 0.0012206600000000, 0.0015075500000000 ] - [ 0.0001544000000000, 0.0000080500000000, 0.0005881600000000 ] - [ -0.0003972500000000, -0.0032560200000000, 0.0003408300000000 ] - [ 0.0000092200000000, -0.0000393700000000, 0.0004513700000000 ] - [ 0.0005290200000000, -0.0031441800000000, 0.0003099100000000 ] - [ 0.0137212000000000, -0.0256740500000000, -0.0128919600000000 ] - [ -0.0001006400000000, -0.0001746900000000, 0.0002835400000000 ]- atom: 82 displacement: [ -0.0000185648863736, 0.0000000000000000, 0.0099999827672348 ] forces: - [ 0.0002905100000000, 0.0000412700000000, -0.0003974500000000 ] - [ -0.0004049800000000, -0.0003684500000000, -0.0006890900000000 ] - [ 0.0002452200000000, 0.0002338300000000, -0.0002091900000000 ] - [ 0.0000130700000000, 0.0001239700000000, -0.0004401800000000 ] - [ -0.0000085400000000, -0.0001679900000000, -0.0003953800000000 ] - [ 0.0024938900000000, -0.0009924800000000, 0.0008669400000000 ] - [ -0.0014351200000000, -0.0014644700000000, -0.0003670200000000 ] - [ 0.0002563600000000, -0.0001025400000000, -0.0003092100000000 ] - [ 0.0002332200000000, -0.0002768000000000, 0.0037854400000000 ] - [ 0.0002260500000000, 0.0004964900000000, 0.0011292000000000 ] - [ -0.0012940000000000, 0.0001972800000000, 0.0034659900000000 ] - [ 0.0001729700000000, 0.0004687100000000, 0.0003295200000000 ] - [ -0.0000399000000000, 0.0007603600000000, 0.0001842500000000 ] - [ 0.0003554400000000, 0.0001660200000000, -0.0000891700000000 ] - [ -0.0003894200000000, 0.0006936200000000, 0.0003598000000000 ] - [ -0.0000655700000000, 0.0001649900000000, -0.0004059400000000 ] - [ 0.0000480900000000, -0.0000574700000000, -0.0002938200000000 ] - [ 0.0001621800000000, 0.0000122900000000, -0.0003819600000000 ] - [ 0.0002710600000000, -0.0020573400000000, -0.0027915700000000 ] - [ -0.0000394300000000, 0.0003952200000000, 0.0000855500000000 ] - [ -0.0000787200000000, 0.0001022300000000, 0.0007662900000000 ] - [ -0.0000858800000000, -0.0001748800000000, -0.0001353600000000 ] - [ 0.0000197200000000, -0.0000373900000000, -0.0001800100000000 ] - [ 0.0004070700000000, 0.0013851800000000, 0.0032790300000000 ] - [ 0.0000158700000000, 0.0000482300000000, -0.0002318000000000 ] - [ -0.0000612000000000, -0.0003142700000000, -0.0002487100000000 ] - [ -0.0000270300000000, -0.0002177800000000, -0.0001740700000000 ] - [ 0.0000179700000000, -0.0002027300000000, 0.0000381100000000 ] - [ -0.0001498000000000, 0.0002568400000000, -0.0003480000000000 ] - [ 0.0000051200000000, -0.0003190500000000, -0.0002379600000000 ] - [ -0.0001355900000000, 0.0000688300000000, -0.0002059400000000 ] - [ 0.0000368900000000, -0.0001932100000000, -0.0000689600000000 ] - [ 0.0006460900000000, 0.0004030000000000, -0.0002138900000000 ] - [ 0.0000288000000000, -0.0002852300000000, -0.0003758000000000 ] - [ -0.0000163000000000, 0.0000850700000000, -0.0005286300000000 ] - [ 0.0000385800000000, -0.0000088300000000, 0.0004086200000000 ] - [ 0.0024955400000000, 0.0008502200000000, 0.0030773000000000 ] - [ -0.0002988100000000, -0.0001029700000000, -0.0003685400000000 ] - [ 0.0000171400000000, -0.0001238100000000, 0.0001449700000000 ] - [ 0.0001284000000000, -0.0000474200000000, -0.0002703600000000 ] - [ -0.0001097100000000, -0.0001284900000000, -0.0004917100000000 ] - [ -0.0002417000000000, 0.0003704000000000, -0.0001763900000000 ] - [ 0.0000405500000000, -0.0001472600000000, -0.0002280200000000 ] - [ 0.0000109300000000, -0.0002236000000000, -0.0001333300000000 ] - [ 0.0003188300000000, -0.0001970300000000, -0.0001857300000000 ] - [ -0.0000223400000000, -0.0000869900000000, -0.0004178300000000 ] - [ -0.0008026100000000, 0.0006698700000000, -0.0001560600000000 ] - [ -0.0000247000000000, -0.0001660300000000, 0.0001913400000000 ] - [ 0.0003112600000000, -0.0001668700000000, -0.0007738800000000 ] - [ 0.0002968000000000, -0.0002026300000000, -0.0006690500000000 ] - [ 0.0003142500000000, 0.0000806500000000, -0.0009917400000000 ] - [ 0.0011357500000000, 0.0027730100000000, 0.0029707500000000 ] - [ -0.0001848800000000, -0.0001656700000000, 0.0029830400000000 ] - [ -0.0006347100000000, 0.0024864100000000, 0.0025863400000000 ] - [ -0.0013562600000000, -0.0000066300000000, 0.0000584500000000 ] - [ -0.0001108200000000, -0.0000027500000000, -0.0009463100000000 ] - [ -0.0004746300000000, -0.0002814200000000, 0.0029453600000000 ] - [ 0.0004507800000000, -0.0015731800000000, -0.0018365200000000 ] - [ 0.0000534000000000, -0.0000701000000000, -0.0009450700000000 ] - [ -0.0002502500000000, -0.0004174600000000, -0.0011464400000000 ] - [ -0.0316797700000000, -0.0690220800000000, 0.0763543700000000 ] - [ 0.0022532200000000, 0.0011220300000000, 0.0012157900000000 ] - [ -0.0023612100000000, -0.0006805900000000, -0.0069768000000000 ] - [ -0.0001060900000000, -0.0001384500000000, -0.0006304600000000 ] - [ 0.0001471800000000, 0.0005783900000000, -0.0001015900000000 ] - [ 0.0012720500000000, -0.0005922600000000, -0.0041736700000000 ] - [ -0.0005411800000000, 0.0011458000000000, 0.0012122400000000 ] - [ -0.0008087800000000, -0.0007291500000000, -0.0021224500000000 ] - [ -0.0001727500000000, 0.0000122800000000, 0.0004973200000000 ] - [ 0.0001438200000000, -0.0004992900000000, 0.0002455400000000 ] - [ -0.0000703200000000, -0.0003701300000000, 0.0003805900000000 ] - [ 0.0020168500000000, 0.0001082400000000, 0.0004395100000000 ] - [ -0.0000795900000000, -0.0002221100000000, 0.0004144300000000 ] - [ 0.0001751900000000, -0.0003905000000000, 0.0004747600000000 ] - [ -0.0002522500000000, -0.0006745500000000, -0.0004858200000000 ] - [ 0.0002128900000000, -0.0002183300000000, -0.0000160200000000 ] - [ -0.0003536400000000, -0.0009930000000000, 0.0020278000000000 ] - [ -0.0008767900000000, -0.0001366700000000, 0.0006503500000000 ] - [ 0.0000947400000000, 0.0003921400000000, 0.0004965800000000 ] - [ -0.0014766000000000, 0.0022575600000000, -0.0002180200000000 ] - [ 0.0001601100000000, 0.0001820700000000, 0.0001404500000000 ] - [ 0.0272326000000000, 0.0856287300000000, -0.0737692700000000 ] - [ 0.0002375500000000, -0.0007913400000000, -0.0002682500000000 ] - [ -0.0003993600000000, -0.0001130400000000, 0.0012628700000000 ] - [ -0.0003095200000000, -0.0000862000000000, 0.0015228500000000 ] - [ 0.0000363600000000, -0.0023570900000000, 0.0002799900000000 ] - [ 0.0006765700000000, -0.0025506100000000, -0.0003513200000000 ] - [ 0.0002683100000000, -0.0002711800000000, 0.0013187100000000 ] - [ -0.0008516400000000, 0.0012206800000000, -0.0010929000000000 ] - [ 0.0019862400000000, 0.0029327100000000, 0.0001317500000000 ] - [ -0.0020071600000000, -0.0105873900000000, 0.0088152900000000 ] - [ -0.0000622100000000, -0.0000101800000000, 0.0003137700000000 ] - [ 0.0000050000000000, 0.0003192100000000, 0.0005385700000000 ] - [ -0.0001812200000000, -0.0005973800000000, 0.0005341400000000 ] - [ 0.0000209900000000, -0.0000984700000000, -0.0000264100000000 ] - [ -0.0000458000000000, -0.0006176400000000, 0.0005263100000000 ] - [ 0.0005338000000000, 0.0000285100000000, -0.0006566100000000 ] - [ 0.0005780300000000, -0.0000960600000000, 0.0021643800000000 ] - [ -0.0013483700000000, -0.0004097000000000, -0.0042188800000000 ] - [ 0.0001258300000000, -0.0001538100000000, 0.0002300200000000 ] - [ 0.0001514100000000, -0.0003320200000000, 0.0004014800000000 ] - [ -0.0007817600000000, -0.0025185100000000, -0.0000762600000000 ] - [ -0.0104534000000000, 0.0022804400000000, -0.0053648800000000 ] - [ -0.0000546500000000, 0.0004256600000000, 0.0006203300000000 ] - [ 0.0000646500000000, 0.0004767000000000, 0.0001846100000000 ] - [ -0.0001252400000000, 0.0012742700000000, 0.0030542700000000 ] - [ 0.0001363800000000, 0.0001516100000000, 0.0004802100000000 ] - [ -0.0000749900000000, -0.0007928800000000, -0.0003651100000000 ] - [ 0.0000248200000000, 0.0001938500000000, 0.0005126400000000 ] - [ 0.0002131400000000, -0.0006840600000000, -0.0002656200000000 ] - [ 0.0140185200000000, -0.0045481400000000, -0.0167374400000000 ] - [ -0.0001268700000000, -0.0004308600000000, 0.0002756100000000 ]- atom: 82 displacement: [ 0.0000185648863736, 0.0000000000000000, -0.0099999827672348 ] forces: - [ -0.0002695900000000, 0.0002115600000000, 0.0008363200000000 ] - [ -0.0001168900000000, -0.0002260200000000, 0.0005609100000000 ] - [ 0.0002773400000000, 0.0003544800000000, 0.0003466200000000 ] - [ -0.0000342800000000, 0.0001288300000000, 0.0000040800000000 ] - [ -0.0000144400000000, -0.0000834500000000, -0.0000420600000000 ] - [ -0.0029921800000000, 0.0015745900000000, -0.0010509400000000 ] - [ 0.0014654800000000, 0.0012194000000000, 0.0008014600000000 ] - [ 0.0002652300000000, -0.0004923700000000, 0.0004426700000000 ] - [ -0.0002175600000000, 0.0006755700000000, -0.0042470600000000 ] - [ -0.0001093900000000, -0.0002162600000000, -0.0009536100000000 ] - [ 0.0012972300000000, 0.0003782800000000, -0.0035451200000000 ] - [ -0.0001750300000000, -0.0005097300000000, -0.0003606500000000 ] - [ -0.0002198600000000, -0.0007100100000000, -0.0000531100000000 ] - [ -0.0001795100000000, -0.0003618200000000, 0.0002595500000000 ] - [ 0.0005213200000000, -0.0005351400000000, -0.0005255900000000 ] - [ -0.0001101700000000, 0.0000282300000000, 0.0002398900000000 ] - [ 0.0000733500000000, -0.0001083200000000, 0.0001306300000000 ] - [ -0.0002018900000000, -0.0002365300000000, 0.0003663100000000 ] - [ -0.0003917800000000, 0.0022387500000000, 0.0030305200000000 ] - [ 0.0000405600000000, 0.0001657100000000, -0.0000079500000000 ] - [ 0.0001009700000000, 0.0002317800000000, -0.0002993700000000 ] - [ -0.0000348600000000, 0.0000123800000000, 0.0003003200000000 ] - [ -0.0000207600000000, 0.0000708900000000, 0.0002083300000000 ] - [ -0.0004404500000000, -0.0010004400000000, -0.0032593500000000 ] - [ -0.0000152600000000, -0.0000153500000000, 0.0002052800000000 ] - [ -0.0000571700000000, 0.0000327300000000, 0.0000619100000000 ] - [ -0.0000064300000000, -0.0001549500000000, 0.0001852200000000 ] - [ 0.0000037900000000, -0.0001275500000000, 0.0004310200000000 ] - [ 0.0003279300000000, -0.0000621900000000, 0.0005181400000000 ] - [ -0.0000074500000000, -0.0002445800000000, 0.0001622900000000 ] - [ -0.0001221200000000, -0.0001252600000000, 0.0003295900000000 ] - [ 0.0000589400000000, 0.0001085100000000, 0.0002646500000000 ] - [ -0.0006670900000000, -0.0000752200000000, -0.0002503200000000 ] - [ 0.0000904100000000, 0.0000013900000000, 0.0005707600000000 ] - [ 0.0000529600000000, -0.0003061200000000, 0.0005414600000000 ] - [ -0.0001359100000000, 0.0000977700000000, -0.0006073200000000 ] - [ -0.0022481400000000, -0.0007910600000000, -0.0032102700000000 ] - [ 0.0001771800000000, 0.0003896800000000, 0.0001758300000000 ] - [ -0.0000202300000000, 0.0000952100000000, -0.0001163000000000 ] - [ 0.0001295000000000, -0.0000076800000000, 0.0001486000000000 ] - [ 0.0000883100000000, -0.0002030100000000, 0.0000241300000000 ] - [ 0.0002048700000000, -0.0001535900000000, 0.0001652400000000 ] - [ -0.0000071500000000, -0.0002268700000000, 0.0002184700000000 ] - [ -0.0000081400000000, -0.0003409900000000, 0.0002097700000000 ] - [ -0.0002206700000000, 0.0002815200000000, 0.0003767700000000 ] - [ -0.0000751600000000, 0.0000065800000000, 0.0002319700000000 ] - [ 0.0008384400000000, -0.0002948200000000, 0.0001476000000000 ] - [ -0.0001502200000000, -0.0000315900000000, -0.0003642100000000 ] - [ 0.0001346700000000, -0.0000664200000000, 0.0010513500000000 ] - [ 0.0002809100000000, -0.0000211800000000, 0.0010102500000000 ] - [ -0.0008948400000000, -0.0003046600000000, 0.0006582900000000 ] - [ -0.0012818200000000, -0.0025926600000000, -0.0025051000000000 ] - [ 0.0003717700000000, 0.0005715600000000, -0.0032427500000000 ] - [ 0.0012114000000000, -0.0022771100000000, -0.0022508600000000 ] - [ 0.0007759900000000, 0.0002327800000000, -0.0003836500000000 ] - [ -0.0003356100000000, -0.0002294100000000, 0.0006779500000000 ] - [ 0.0000266200000000, 0.0005057200000000, -0.0032178300000000 ] - [ -0.0003106200000000, 0.0013911700000000, 0.0013779200000000 ] - [ 0.0001354300000000, -0.0003476600000000, 0.0006798700000000 ] - [ 0.0000640800000000, 0.0000018000000000, 0.0014205200000000 ] - [ 0.0310778200000000, 0.0686004900000000, -0.0764714000000000 ] - [ -0.0018831200000000, -0.0008822100000000, -0.0009337000000000 ] - [ 0.0025045600000000, 0.0008646300000000, 0.0064911400000000 ] - [ -0.0000389900000000, -0.0000583100000000, 0.0011023400000000 ] - [ -0.0003476000000000, -0.0005338800000000, 0.0000377700000000 ] - [ -0.0014058700000000, 0.0007938900000000, 0.0039891400000000 ] - [ 0.0003412100000000, -0.0012013500000000, -0.0012803700000000 ] - [ 0.0008130300000000, 0.0009506600000000, 0.0019718800000000 ] - [ 0.0001295000000000, -0.0005394200000000, -0.0003167500000000 ] - [ -0.0000640800000000, 0.0002645200000000, -0.0005089900000000 ] - [ -0.0001656100000000, 0.0004041400000000, -0.0002434700000000 ] - [ -0.0021260600000000, 0.0000853500000000, 0.0000187100000000 ] - [ -0.0000751400000000, -0.0002173600000000, 0.0001092600000000 ] - [ -0.0001807700000000, 0.0001781300000000, -0.0006426000000000 ] - [ 0.0003356300000000, 0.0009211200000000, 0.0002251300000000 ] - [ -0.0000597200000000, -0.0002219000000000, -0.0005090200000000 ] - [ 0.0003951000000000, 0.0015277800000000, -0.0021163300000000 ] - [ 0.0007737200000000, -0.0000560600000000, -0.0001928400000000 ] - [ 0.0001027100000000, -0.0003423300000000, -0.0004307800000000 ] - [ 0.0014699000000000, -0.0020352700000000, 0.0003844500000000 ] - [ -0.0003104600000000, 0.0002572500000000, 0.0003827100000000 ] - [ -0.0268697800000000, -0.0848131400000000, 0.0748054700000000 ] - [ -0.0003006000000000, 0.0009060500000000, 0.0000757900000000 ] - [ 0.0002686800000000, -0.0000865700000000, -0.0014595600000000 ] - [ 0.0004431300000000, -0.0001137400000000, -0.0013384900000000 ] - [ 0.0000735400000000, 0.0025610400000000, -0.0007419300000000 ] - [ -0.0004500200000000, 0.0025916500000000, 0.0002090800000000 ] - [ -0.0003979900000000, -0.0001657600000000, -0.0013927900000000 ] - [ 0.0007821900000000, -0.0010062600000000, 0.0013602100000000 ] - [ -0.0020083400000000, -0.0023855100000000, 0.0000576400000000 ] - [ 0.0020805900000000, 0.0108678500000000, -0.0087647100000000 ] - [ -0.0001725300000000, -0.0000178200000000, -0.0001733200000000 ] - [ -0.0000023400000000, -0.0004859900000000, -0.0003514000000000 ] - [ 0.0002261200000000, 0.0000724000000000, -0.0007190800000000 ] - [ 0.0000872300000000, -0.0000951500000000, -0.0004353500000000 ] - [ 0.0000024500000000, 0.0000844200000000, -0.0004330200000000 ] - [ -0.0003904200000000, 0.0001684700000000, 0.0008238200000000 ] - [ -0.0004519000000000, -0.0003405700000000, -0.0021078000000000 ] - [ 0.0012177500000000, 0.0008412300000000, 0.0041539800000000 ] - [ -0.0001281100000000, -0.0000125100000000, -0.0004211700000000 ] - [ 0.0000832000000000, 0.0003052800000000, -0.0005455800000000 ] - [ 0.0007446600000000, 0.0030624900000000, 0.0001735200000000 ] - [ 0.0107514500000000, -0.0018035200000000, 0.0048418400000000 ] - [ 0.0001111700000000, -0.0005285800000000, -0.0004297100000000 ] - [ -0.0000687400000000, -0.0003190100000000, -0.0003766700000000 ] - [ 0.0001690300000000, -0.0018203500000000, -0.0031749300000000 ] - [ -0.0001329500000000, -0.0003658800000000, -0.0003166800000000 ] - [ 0.0002740100000000, 0.0007458900000000, 0.0004343700000000 ] - [ -0.0001049600000000, -0.0004305100000000, -0.0002518200000000 ] - [ -0.0002109000000000, 0.0008505800000000, 0.0004579700000000 ] - [ -0.0139049700000000, 0.0051149900000000, 0.0165652000000000 ] - [ 0.0000716000000000, 0.0003318300000000, -0.0004702200000000 ]- atom: 88 displacement: [ 0.0099999995909515, 0.0000000000000000, -0.0000028602394792 ] forces: - [ -0.0000538900000000, 0.0001218000000000, 0.0005626900000000 ] - [ -0.0001932800000000, -0.0002255300000000, 0.0004967900000000 ] - [ -0.0000614100000000, 0.0001956500000000, -0.0006478500000000 ] - [ -0.0001320300000000, 0.0001836700000000, -0.0009631800000000 ] - [ 0.0005417800000000, -0.0002284200000000, -0.0005177900000000 ] - [ -0.0002728900000000, 0.0003433900000000, -0.0004413800000000 ] - [ 0.0000178200000000, -0.0001027800000000, -0.0001626100000000 ] - [ 0.0005878100000000, -0.0001761100000000, -0.0005229400000000 ] - [ 0.0000087000000000, 0.0001618400000000, -0.0003028300000000 ] - [ 0.0000509700000000, 0.0000978700000000, -0.0001930900000000 ] - [ 0.0000088900000000, 0.0003184300000000, -0.0002219000000000 ] - [ 0.0000211400000000, -0.0000481300000000, -0.0002140100000000 ] - [ -0.0001553600000000, 0.0000630400000000, -0.0001368000000000 ] - [ 0.0001005300000000, 0.0000306800000000, -0.0001017900000000 ] - [ 0.0000420500000000, 0.0000559500000000, -0.0002984200000000 ] - [ 0.0005702800000000, 0.0003439900000000, 0.0005573600000000 ] - [ 0.0026727300000000, -0.0000191000000000, 0.0019725500000000 ] - [ -0.0001274500000000, 0.0001594600000000, -0.0007260700000000 ] - [ -0.0000841800000000, 0.0000542900000000, -0.0001026500000000 ] - [ 0.0000325600000000, 0.0003002900000000, -0.0001591600000000 ] - [ 0.0000160200000000, 0.0002008300000000, 0.0000018800000000 ] - [ 0.0005206700000000, -0.0005117700000000, 0.0003353100000000 ] - [ -0.0003532300000000, -0.0007436000000000, -0.0002204600000000 ] - [ -0.0000312700000000, 0.0002003500000000, -0.0002043600000000 ] - [ -0.0004194800000000, 0.0000915700000000, 0.0006419100000000 ] - [ -0.0001928700000000, -0.0004800600000000, -0.0008800400000000 ] - [ 0.0021141000000000, 0.0000623500000000, 0.0018978100000000 ] - [ 0.0061187600000000, 0.0008684400000000, 0.0014483800000000 ] - [ 0.0001193400000000, 0.0002145800000000, -0.0002583400000000 ] - [ -0.0005543800000000, -0.0002824300000000, 0.0004803900000000 ] - [ 0.0000423500000000, -0.0002698800000000, 0.0010048200000000 ] - [ 0.0000522100000000, -0.0001446700000000, -0.0002195000000000 ] - [ 0.0000043500000000, 0.0001449300000000, -0.0003862700000000 ] - [ -0.0005204900000000, -0.0009354300000000, -0.0000742200000000 ] - [ -0.0005859700000000, 0.0007288300000000, -0.0001473000000000 ] - [ -0.0000376900000000, -0.0000244800000000, -0.0004231500000000 ] - [ 0.0001167000000000, 0.0000388700000000, -0.0002609300000000 ] - [ -0.0002023600000000, -0.0002169900000000, -0.0008579200000000 ] - [ 0.0000270200000000, -0.0000393900000000, -0.0001970300000000 ] - [ 0.0024970000000000, -0.0004167900000000, 0.0018850600000000 ] - [ -0.0001044700000000, 0.0000261900000000, -0.0001720600000000 ] - [ -0.0001803500000000, 0.0005740400000000, -0.0008612800000000 ] - [ 0.0001092700000000, 0.0004155700000000, 0.0002705500000000 ] - [ -0.0003735800000000, 0.0004749300000000, -0.0003136100000000 ] - [ 0.0000868600000000, -0.0000801400000000, -0.0000918400000000 ] - [ 0.0004927100000000, -0.0001213400000000, 0.0006244800000000 ] - [ 0.0000045100000000, 0.0001924200000000, -0.0001695600000000 ] - [ -0.0000763200000000, -0.0000593000000000, -0.0003970000000000 ] - [ -0.0005817200000000, -0.0004776700000000, -0.0000871400000000 ] - [ -0.0090472500000000, -0.0002924200000000, 0.0067360300000000 ] - [ -0.0004602900000000, -0.0002703800000000, -0.0001559100000000 ] - [ -0.0001574400000000, 0.0001608900000000, -0.0008433500000000 ] - [ 0.0000706100000000, 0.0000963400000000, -0.0011776900000000 ] - [ 0.0004537600000000, 0.0001524100000000, -0.0007862400000000 ] - [ -0.0004576300000000, -0.0000169500000000, -0.0008992000000000 ] - [ -0.0099877400000000, 0.0001120200000000, 0.0059664900000000 ] - [ -0.0000167200000000, 0.0000952000000000, -0.0010839800000000 ] - [ 0.0004490300000000, -0.0001453500000000, 0.0003910000000000 ] - [ 0.0366203600000000, -0.0042824300000000, 0.0255962800000000 ] - [ -0.0008862900000000, 0.0001782000000000, 0.0011752700000000 ] - [ -0.0001299400000000, 0.0002936500000000, -0.0005481100000000 ] - [ 0.0003306100000000, 0.0001669300000000, -0.0005853200000000 ] - [ 0.0000141500000000, 0.0000780300000000, -0.0009398900000000 ] - [ 0.0390215900000000, 0.0023394000000000, 0.0353861000000000 ] - [ -0.0001726400000000, 0.0004642100000000, 0.0002387200000000 ] - [ -0.0004433100000000, 0.0001180400000000, 0.0013876700000000 ] - [ 0.0000445300000000, 0.0003385700000000, 0.0002353900000000 ] - [ 0.0001109000000000, 0.0003316200000000, 0.0003467100000000 ] - [ -0.0092259800000000, 0.0082157800000000, -0.0032220300000000 ] - [ 0.0008077600000000, -0.0012474600000000, -0.0004342300000000 ] - [ -0.0002611700000000, -0.0004321700000000, 0.0003937500000000 ] - [ 0.0000466000000000, 0.0000845200000000, 0.0003200100000000 ] - [ 0.0127084800000000, -0.0010533600000000, 0.0101922500000000 ] - [ -0.0001812000000000, -0.0004652500000000, -0.0012072300000000 ] - [ 0.0000944700000000, 0.0003370000000000, 0.0002194400000000 ] - [ 0.0015118400000000, -0.0002694300000000, -0.0004779900000000 ] - [ 0.0001372600000000, -0.0001556500000000, 0.0002237500000000 ] - [ -0.0002107100000000, -0.0001706000000000, 0.0005764200000000 ] - [ -0.0067433400000000, 0.0090297500000000, -0.0012378400000000 ] - [ 0.0001700400000000, -0.0000966000000000, 0.0006111700000000 ] - [ -0.0001489100000000, 0.0002179000000000, 0.0005401600000000 ] - [ -0.0000187800000000, -0.0002101000000000, 0.0004278700000000 ] - [ -0.0000958300000000, 0.0003574500000000, 0.0004187000000000 ] - [ 0.0027538100000000, -0.0000280700000000, -0.0090743700000000 ] - [ 0.0002286600000000, -0.0002410100000000, -0.0001825700000000 ] - [ -0.0000547000000000, 0.0000974300000000, 0.0001218000000000 ] - [ 0.0002672900000000, 0.0001990900000000, 0.0004903100000000 ] - [ -0.0722612800000000, 0.0011282200000000, -0.0758534000000000 ] - [ 0.0000010900000000, -0.0001345700000000, 0.0004638100000000 ] - [ -0.0002033200000000, 0.0000046000000000, 0.0007343500000000 ] - [ 0.0003378900000000, 0.0001672100000000, 0.0011518400000000 ] - [ -0.0000587100000000, -0.0001011600000000, 0.0004091200000000 ] - [ 0.0007101600000000, 0.0010292900000000, -0.0004554400000000 ] - [ 0.0002340000000000, 0.0006296700000000, -0.0012479300000000 ] - [ 0.0142089900000000, 0.0002802500000000, 0.0076710400000000 ] - [ -0.0084197800000000, -0.0103841300000000, -0.0007736000000000 ] - [ -0.0002188600000000, 0.0000865700000000, 0.0012926400000000 ] - [ -0.0005123200000000, -0.0004146700000000, -0.0017231600000000 ] - [ 0.0003211400000000, 0.0002883700000000, 0.0015892800000000 ] - [ 0.0000572400000000, 0.0001654500000000, 0.0002409300000000 ] - [ 0.0012284100000000, -0.0011357400000000, -0.0009761000000000 ] - [ -0.0001577300000000, 0.0004997000000000, 0.0007153600000000 ] - [ 0.0000666200000000, 0.0002169800000000, -0.0000945300000000 ] - [ 0.0006160500000000, -0.0019999500000000, -0.0011835700000000 ] - [ -0.0001559900000000, 0.0006398600000000, 0.0002543100000000 ] - [ 0.0000051700000000, -0.0006050800000000, 0.0001900700000000 ] - [ 0.0007602300000000, 0.0009009400000000, -0.0001856700000000 ] - [ -0.0000357700000000, -0.0003070700000000, 0.0006613600000000 ] - [ 0.0004758700000000, 0.0016831200000000, -0.0009739400000000 ] - [ 0.0000966800000000, -0.0001534700000000, 0.0005598800000000 ] - [ -0.0000930000000000, 0.0004817600000000, 0.0003173400000000 ] - [ -0.0058271300000000, -0.0081136000000000, -0.0021688200000000 ]- atom: 88 displacement: [ -0.0099999995909515, 0.0000000000000000, 0.0000028602394792 ] forces: - [ 0.0000736100000000, 0.0001301700000000, -0.0001258700000000 ] - [ -0.0003282900000000, -0.0003671600000000, -0.0006252600000000 ] - [ 0.0005808900000000, 0.0003860300000000, 0.0007428200000000 ] - [ 0.0001146500000000, 0.0000685400000000, 0.0005236800000000 ] - [ -0.0005554700000000, -0.0000274100000000, 0.0001011700000000 ] - [ -0.0002493000000000, 0.0002501500000000, 0.0003065400000000 ] - [ 0.0000037200000000, -0.0001495400000000, 0.0005948300000000 ] - [ -0.0000766400000000, -0.0004210200000000, 0.0006549000000000 ] - [ 0.0000282500000000, 0.0000559700000000, 0.0003156100000000 ] - [ 0.0000674200000000, 0.0001855600000000, 0.0003752300000000 ] - [ -0.0000106600000000, 0.0002406600000000, 0.0001421200000000 ] - [ -0.0000216600000000, 0.0000154200000000, 0.0001815900000000 ] - [ -0.0001034500000000, 0.0000194100000000, 0.0002223300000000 ] - [ 0.0000371400000000, -0.0001887600000000, 0.0002849900000000 ] - [ 0.0000747000000000, 0.0001186100000000, 0.0001275100000000 ] - [ -0.0007393800000000, -0.0001513100000000, -0.0007193100000000 ] - [ -0.0025576000000000, -0.0001413800000000, -0.0021370200000000 ] - [ 0.0000905000000000, -0.0003853800000000, 0.0007180300000000 ] - [ -0.0000337500000000, 0.0000811600000000, 0.0002457000000000 ] - [ -0.0000295100000000, 0.0002702900000000, 0.0002353200000000 ] - [ 0.0000064500000000, 0.0001289400000000, 0.0004620700000000 ] - [ -0.0006496500000000, 0.0003446900000000, -0.0001771500000000 ] - [ 0.0003604400000000, 0.0007757900000000, 0.0002414600000000 ] - [ -0.0000042800000000, 0.0001676000000000, 0.0002007700000000 ] - [ 0.0004156600000000, -0.0000495200000000, -0.0006683400000000 ] - [ 0.0000758400000000, 0.0002057700000000, 0.0006974800000000 ] - [ -0.0024785700000000, -0.0003269100000000, -0.0018152900000000 ] - [ -0.0056185300000000, -0.0010347500000000, -0.0010822800000000 ] - [ 0.0000545400000000, -0.0000196900000000, 0.0004205600000000 ] - [ 0.0005513600000000, -0.0002871700000000, -0.0005550800000000 ] - [ -0.0003077700000000, 0.0002262100000000, -0.0008981200000000 ] - [ 0.0000438700000000, 0.0000580300000000, 0.0004094600000000 ] - [ -0.0000285600000000, 0.0001920600000000, -0.0000824000000000 ] - [ 0.0006343200000000, 0.0006365800000000, 0.0002877500000000 ] - [ 0.0006173100000000, -0.0009299700000000, 0.0001896800000000 ] - [ -0.0000584100000000, 0.0001110200000000, 0.0002253700000000 ] - [ 0.0001398800000000, 0.0000081000000000, 0.0001328600000000 ] - [ 0.0001035100000000, 0.0004670500000000, 0.0006675300000000 ] - [ -0.0000277900000000, -0.0000048100000000, 0.0002234400000000 ] - [ -0.0022364900000000, 0.0003613200000000, -0.0020163200000000 ] - [ 0.0000823300000000, -0.0003565500000000, -0.0002998200000000 ] - [ 0.0001770600000000, -0.0003151700000000, 0.0008524900000000 ] - [ -0.0000742600000000, -0.0007967800000000, -0.0002843100000000 ] - [ 0.0003856500000000, -0.0010366100000000, 0.0003815200000000 ] - [ -0.0000100400000000, 0.0001351300000000, 0.0002933200000000 ] - [ -0.0005819400000000, 0.0000423200000000, -0.0008065500000000 ] - [ 0.0000290500000000, 0.0001847100000000, 0.0001566700000000 ] - [ -0.0000983600000000, -0.0001378700000000, 0.0002274200000000 ] - [ 0.0010258700000000, 0.0002300500000000, 0.0003406300000000 ] - [ 0.0096141500000000, 0.0000583400000000, -0.0064312900000000 ] - [ -0.0001014200000000, 0.0000428100000000, -0.0001921200000000 ] - [ 0.0000241200000000, 0.0000417400000000, 0.0013079600000000 ] - [ 0.0001044800000000, 0.0003703900000000, 0.0009145000000000 ] - [ 0.0001047600000000, 0.0000903200000000, 0.0011126800000000 ] - [ -0.0001059400000000, 0.0002494400000000, 0.0005681700000000 ] - [ 0.0095286200000000, -0.0003489500000000, -0.0062183100000000 ] - [ -0.0004191600000000, 0.0001728500000000, 0.0008248900000000 ] - [ -0.0003154000000000, -0.0000548600000000, -0.0008738800000000 ] - [ -0.0367015900000000, 0.0038751300000000, -0.0261788300000000 ] - [ 0.0007019800000000, -0.0006114400000000, -0.0009253000000000 ] - [ -0.0000522300000000, 0.0001307400000000, 0.0008117000000000 ] - [ 0.0001144400000000, 0.0000638500000000, 0.0008545900000000 ] - [ 0.0001340500000000, 0.0001377400000000, 0.0004592700000000 ] - [ -0.0388229900000000, -0.0025615300000000, -0.0348752500000000 ] - [ -0.0000250100000000, -0.0004189300000000, -0.0003024600000000 ] - [ 0.0003062000000000, 0.0000809500000000, -0.0015726600000000 ] - [ -0.0002385000000000, -0.0003901500000000, -0.0003049900000000 ] - [ -0.0001129300000000, -0.0001140800000000, -0.0005096400000000 ] - [ 0.0092294500000000, -0.0087855400000000, 0.0033575500000000 ] - [ -0.0007240200000000, 0.0010081500000000, 0.0001743300000000 ] - [ 0.0000235800000000, 0.0004639900000000, -0.0002552100000000 ] - [ -0.0001574700000000, 0.0001097900000000, 0.0001346500000000 ] - [ -0.0128620300000000, 0.0005997400000000, -0.0095368200000000 ] - [ 0.0001725000000000, 0.0002386000000000, 0.0010434200000000 ] - [ 0.0000089600000000, -0.0001259900000000, -0.0004763700000000 ] - [ -0.0013572300000000, -0.0001741800000000, -0.0000467300000000 ] - [ -0.0000958800000000, 0.0006434300000000, -0.0003158200000000 ] - [ 0.0001029300000000, -0.0000218500000000, -0.0001184600000000 ] - [ 0.0069314500000000, -0.0089429700000000, 0.0013331900000000 ] - [ -0.0000777100000000, 0.0003319500000000, -0.0003852400000000 ] - [ -0.0000029400000000, 0.0002207900000000, -0.0000179600000000 ] - [ 0.0000739000000000, 0.0003048200000000, -0.0002339200000000 ] - [ 0.0000195400000000, -0.0002850000000000, -0.0005970700000000 ] - [ -0.0028898000000000, -0.0001749700000000, 0.0089005600000000 ] - [ -0.0001033800000000, 0.0000401700000000, 0.0003921600000000 ] - [ 0.0001632000000000, 0.0000951500000000, -0.0005823000000000 ] - [ -0.0000338400000000, -0.0001718600000000, -0.0006329800000000 ] - [ 0.0719611500000000, -0.0019212400000000, 0.0761368000000000 ] - [ -0.0000799600000000, 0.0003664900000000, -0.0002007300000000 ] - [ 0.0000762700000000, 0.0005361700000000, -0.0004720600000000 ] - [ -0.0002068300000000, 0.0002698800000000, -0.0010877300000000 ] - [ -0.0001755900000000, 0.0000759200000000, -0.0002630900000000 ] - [ -0.0007133600000000, -0.0012060000000000, 0.0006427400000000 ] - [ -0.0001863600000000, -0.0011658900000000, 0.0010677800000000 ] - [ -0.0141582500000000, -0.0004743400000000, -0.0083172000000000 ] - [ 0.0083552900000000, 0.0098522100000000, 0.0008729700000000 ] - [ 0.0003518700000000, 0.0001130100000000, -0.0011094600000000 ] - [ 0.0006500700000000, -0.0000208800000000, 0.0018099300000000 ] - [ -0.0004457200000000, 0.0001469000000000, -0.0016454700000000 ] - [ -0.0000621600000000, -0.0003312600000000, -0.0004292000000000 ] - [ -0.0010052000000000, 0.0011239400000000, 0.0008234100000000 ] - [ 0.0001146000000000, 0.0000296000000000, -0.0006253600000000 ] - [ 0.0000838500000000, 0.0002235000000000, -0.0004294500000000 ] - [ -0.0005627400000000, 0.0019281900000000, 0.0013823800000000 ] - [ 0.0001476200000000, -0.0004813700000000, -0.0004488800000000 ] - [ 0.0000365200000000, 0.0000808900000000, -0.0002798100000000 ] - [ -0.0007506400000000, -0.0011073900000000, 0.0003577300000000 ] - [ 0.0002317500000000, 0.0002501200000000, -0.0005955800000000 ] - [ -0.0005517300000000, -0.0018871200000000, 0.0012423600000000 ] - [ -0.0000906500000000, 0.0003058900000000, -0.0003664400000000 ] - [ 0.0001364000000000, 0.0000451200000000, -0.0005007200000000 ] - [ 0.0057913100000000, 0.0080895100000000, 0.0019393200000000 ]- atom: 88 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000117400000000, 0.0001269800000000, 0.0002657300000000 ] - [ -0.0002870000000000, -0.0005341800000000, 0.0000358000000000 ] - [ 0.0002544800000000, 0.0003560600000000, 0.0002039700000000 ] - [ 0.0000991500000000, 0.0001983500000000, -0.0000540900000000 ] - [ 0.0000015400000000, -0.0001691300000000, -0.0000803500000000 ] - [ -0.0002577300000000, 0.0002882300000000, -0.0000218500000000 ] - [ 0.0000028500000000, -0.0001155300000000, 0.0002611100000000 ] - [ -0.0000294300000000, -0.0003643500000000, 0.0003015200000000 ] - [ 0.0000065900000000, 0.0000873600000000, 0.0000520800000000 ] - [ 0.0000621900000000, 0.0001589800000000, 0.0001362700000000 ] - [ -0.0000016400000000, 0.0002727600000000, -0.0000115100000000 ] - [ 0.0000001500000000, -0.0000059600000000, 0.0000174900000000 ] - [ -0.0001254900000000, 0.0000283100000000, 0.0000916000000000 ] - [ 0.0000961300000000, -0.0001069300000000, 0.0001370300000000 ] - [ 0.0000580100000000, 0.0000991100000000, -0.0000415000000000 ] - [ -0.0000791300000000, -0.0000321200000000, 0.0001355400000000 ] - [ 0.0000649200000000, 0.0027787100000000, -0.0002304500000000 ] - [ -0.0000717200000000, -0.0003656300000000, 0.0002391300000000 ] - [ -0.0000634800000000, 0.0000792600000000, 0.0001059300000000 ] - [ -0.0000075300000000, 0.0002847000000000, 0.0000724200000000 ] - [ 0.0000184400000000, 0.0001507900000000, 0.0002695800000000 ] - [ -0.0002533700000000, 0.0001023300000000, -0.0000436100000000 ] - [ -0.0001129600000000, 0.0001165000000000, -0.0003549700000000 ] - [ -0.0000212300000000, 0.0001805800000000, 0.0000380000000000 ] - [ 0.0000887600000000, -0.0000406800000000, -0.0001193200000000 ] - [ -0.0000114400000000, -0.0000643000000000, 0.0001743300000000 ] - [ -0.0001607500000000, 0.0017964000000000, -0.0007930900000000 ] - [ 0.0011849500000000, 0.0021122300000000, 0.0001152400000000 ] - [ 0.0000812300000000, 0.0000731900000000, 0.0000948000000000 ] - [ -0.0000068200000000, -0.0002561600000000, -0.0001305000000000 ] - [ -0.0006397300000000, -0.0004623900000000, 0.0002819900000000 ] - [ 0.0000334300000000, -0.0000068600000000, 0.0001451000000000 ] - [ -0.0000111000000000, 0.0001713500000000, -0.0002043900000000 ] - [ -0.0001851800000000, -0.0002664900000000, -0.0002086500000000 ] - [ 0.0003013400000000, -0.0003864800000000, 0.0004712400000000 ] - [ -0.0000488100000000, 0.0000685900000000, -0.0000566300000000 ] - [ 0.0001307700000000, 0.0000159600000000, -0.0000278200000000 ] - [ -0.0000079800000000, 0.0000705500000000, 0.0000781000000000 ] - [ 0.0000015100000000, -0.0000223400000000, 0.0000470400000000 ] - [ 0.0001886200000000, 0.0007928600000000, -0.0004016400000000 ] - [ -0.0000123100000000, -0.0001857400000000, -0.0003085200000000 ] - [ -0.0000554200000000, 0.0000682700000000, -0.0001047200000000 ] - [ -0.0000270800000000, -0.0006346000000000, 0.0000104300000000 ] - [ 0.0004509100000000, -0.0006270900000000, 0.0001618900000000 ] - [ 0.0000420800000000, 0.0000571300000000, 0.0001818700000000 ] - [ -0.0000267500000000, -0.0001466100000000, -0.0003240500000000 ] - [ 0.0000189200000000, 0.0001876300000000, 0.0000222500000000 ] - [ -0.0000709700000000, -0.0001284700000000, -0.0000351700000000 ] - [ 0.0004044600000000, -0.0018012200000000, -0.0003382600000000 ] - [ 0.0011947900000000, 0.0001309300000000, -0.0005319800000000 ] - [ -0.0002566800000000, -0.0002332100000000, -0.0006431600000000 ] - [ -0.0000885100000000, 0.0002020100000000, 0.0004422900000000 ] - [ 0.0001360700000000, 0.0003178600000000, 0.0000336700000000 ] - [ 0.0002218300000000, 0.0000778400000000, 0.0003154700000000 ] - [ -0.0003102000000000, 0.0001999100000000, -0.0000488600000000 ] - [ 0.0005527100000000, -0.0001631000000000, -0.0005342000000000 ] - [ -0.0002349500000000, 0.0000884600000000, 0.0000113300000000 ] - [ -0.0000021300000000, -0.0000724300000000, -0.0006213700000000 ] - [ -0.0050135500000000, 0.0378694000000000, -0.0119295800000000 ] - [ -0.0004189300000000, -0.0017025900000000, -0.0000998200000000 ] - [ -0.0000897000000000, 0.0001919000000000, 0.0002596800000000 ] - [ 0.0002113400000000, 0.0001064100000000, 0.0002610900000000 ] - [ 0.0000873600000000, 0.0000967800000000, -0.0001001000000000 ] - [ 0.0033756900000000, 0.0359445000000000, 0.0011561100000000 ] - [ -0.0000943500000000, -0.0001751900000000, -0.0000921500000000 ] - [ -0.0000034600000000, 0.0000988200000000, -0.0003362000000000 ] - [ -0.0000631100000000, -0.0000419500000000, -0.0001045400000000 ] - [ -0.0000212800000000, 0.0000636400000000, -0.0001491800000000 ] - [ 0.0057121900000000, -0.0096620200000000, 0.0082218500000000 ] - [ 0.0001847700000000, -0.0000969700000000, -0.0001831200000000 ] - [ -0.0001375100000000, -0.0000168900000000, 0.0000803800000000 ] - [ -0.0000497400000000, 0.0000993500000000, 0.0001954600000000 ] - [ -0.0028242300000000, -0.0026120400000000, 0.0005718700000000 ] - [ -0.0008165600000000, 0.0013021700000000, -0.0002155700000000 ] - [ 0.0000397100000000, 0.0000775000000000, -0.0001723000000000 ] - [ 0.0001821100000000, -0.0001086600000000, -0.0001815000000000 ] - [ 0.0000306900000000, 0.0003358900000000, -0.0001333900000000 ] - [ -0.0000739300000000, -0.0000395600000000, 0.0001925400000000 ] - [ 0.0043923800000000, -0.0062050200000000, 0.0090972400000000 ] - [ -0.0000449900000000, 0.0001610400000000, -0.0000347000000000 ] - [ -0.0001036200000000, 0.0002227800000000, 0.0002235800000000 ] - [ 0.0000397300000000, 0.0001032600000000, 0.0000421900000000 ] - [ -0.0000066500000000, -0.0000512700000000, -0.0002170600000000 ] - [ -0.0005235600000000, -0.0002021900000000, 0.0011335400000000 ] - [ -0.0001791200000000, -0.0001551400000000, 0.0010356900000000 ] - [ 0.0001297800000000, 0.0000978800000000, -0.0003000300000000 ] - [ 0.0001016000000000, 0.0000192400000000, -0.0001292700000000 ] - [ 0.0014273900000000, -0.0550514300000000, 0.0113395700000000 ] - [ -0.0000516500000000, 0.0001674100000000, 0.0000770200000000 ] - [ -0.0000025600000000, 0.0002607100000000, 0.0000753700000000 ] - [ 0.0000130900000000, 0.0002274800000000, -0.0001716300000000 ] - [ -0.0001118300000000, 0.0002988300000000, 0.0001438200000000 ] - [ -0.0001569600000000, -0.0004094100000000, 0.0001861800000000 ] - [ 0.0009509800000000, 0.0011745000000000, -0.0004574900000000 ] - [ -0.0016491200000000, -0.0021113700000000, 0.0000336100000000 ] - [ -0.0049551900000000, -0.0071618000000000, -0.0073653000000000 ] - [ 0.0001142100000000, 0.0000983000000000, -0.0001052200000000 ] - [ 0.0002654900000000, -0.0002266600000000, 0.0008253600000000 ] - [ -0.0001346200000000, 0.0001863100000000, -0.0003196800000000 ] - [ 0.0000106100000000, -0.0002033800000000, -0.0001039700000000 ] - [ 0.0002143900000000, -0.0000672900000000, -0.0002044200000000 ] - [ 0.0000061400000000, 0.0001521600000000, -0.0002357100000000 ] - [ 0.0000773000000000, 0.0002206300000000, -0.0002870100000000 ] - [ -0.0014767100000000, 0.0023095200000000, 0.0007193800000000 ] - [ -0.0000087900000000, -0.0000408900000000, -0.0002479400000000 ] - [ 0.0000547500000000, -0.0000678100000000, 0.0000005500000000 ] - [ 0.0000166100000000, -0.0003071100000000, 0.0002080600000000 ] - [ 0.0000937300000000, -0.0000404200000000, -0.0000300500000000 ] - [ 0.0015717200000000, 0.0026133500000000, 0.0000855000000000 ] - [ -0.0000200900000000, 0.0001062800000000, 0.0000117800000000 ] - [ 0.0000414600000000, 0.0002183400000000, -0.0001601900000000 ] - [ -0.0025544200000000, -0.0026155100000000, -0.0107898800000000 ]- atom: 88 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000104800000000, 0.0001228400000000, 0.0001734300000000 ] - [ -0.0002374200000000, -0.0000657400000000, -0.0001673300000000 ] - [ 0.0002665400000000, 0.0002416100000000, -0.0000628600000000 ] - [ -0.0001200800000000, 0.0000512100000000, -0.0003831600000000 ] - [ -0.0000201000000000, -0.0000810600000000, -0.0003538100000000 ] - [ -0.0002651100000000, 0.0003087600000000, -0.0001176800000000 ] - [ 0.0000195600000000, -0.0001335700000000, 0.0001729900000000 ] - [ 0.0005474800000000, -0.0002357800000000, -0.0001615100000000 ] - [ 0.0000308200000000, 0.0001348500000000, -0.0000418500000000 ] - [ 0.0000583200000000, 0.0001230200000000, 0.0000548900000000 ] - [ 0.0000001600000000, 0.0002916800000000, -0.0000664600000000 ] - [ 0.0000045100000000, -0.0000266100000000, -0.0000437700000000 ] - [ -0.0001329000000000, 0.0000243400000000, 0.0000257100000000 ] - [ 0.0000803700000000, -0.0000871000000000, 0.0000336600000000 ] - [ 0.0000610600000000, 0.0000671900000000, -0.0001175900000000 ] - [ -0.0000947000000000, 0.0002275900000000, -0.0002985800000000 ] - [ 0.0000620000000000, -0.0034062100000000, 0.0000157900000000 ] - [ 0.0000357100000000, 0.0001417200000000, -0.0002417600000000 ] - [ -0.0000561200000000, 0.0000862600000000, 0.0000531700000000 ] - [ 0.0000094700000000, 0.0002801500000000, 0.0000057500000000 ] - [ 0.0000037300000000, 0.0001703500000000, 0.0001929100000000 ] - [ 0.0001261200000000, -0.0002672000000000, 0.0002014900000000 ] - [ 0.0001106600000000, -0.0000835400000000, 0.0003769900000000 ] - [ -0.0000133100000000, 0.0001921600000000, -0.0000278500000000 ] - [ -0.0000880500000000, 0.0000741000000000, 0.0000926300000000 ] - [ -0.0001071900000000, -0.0002104700000000, -0.0003632700000000 ] - [ 0.0000993400000000, -0.0021663900000000, 0.0008018100000000 ] - [ -0.0011287200000000, -0.0024472300000000, 0.0003484200000000 ] - [ 0.0000942900000000, 0.0001239000000000, 0.0000731700000000 ] - [ 0.0000049600000000, -0.0003061400000000, 0.0000536900000000 ] - [ 0.0003784800000000, 0.0004118000000000, -0.0001720300000000 ] - [ 0.0000640700000000, -0.0000793100000000, 0.0000506500000000 ] - [ -0.0000129500000000, 0.0001578500000000, -0.0002632400000000 ] - [ 0.0003033800000000, -0.0000152000000000, 0.0004187200000000 ] - [ -0.0002624800000000, 0.0001646900000000, -0.0004530200000000 ] - [ -0.0000492300000000, 0.0000203600000000, -0.0001420400000000 ] - [ 0.0001270200000000, 0.0000396200000000, -0.0000941200000000 ] - [ -0.0001122300000000, 0.0002059300000000, -0.0002887200000000 ] - [ -0.0000042200000000, -0.0000111600000000, -0.0000205400000000 ] - [ 0.0000645800000000, -0.0005223200000000, 0.0003371300000000 ] - [ -0.0000099000000000, -0.0001388900000000, -0.0001590200000000 ] - [ 0.0000189000000000, 0.0001543300000000, 0.0000924500000000 ] - [ 0.0000633800000000, 0.0002568300000000, -0.0000254400000000 ] - [ -0.0004457600000000, 0.0000630000000000, -0.0000895800000000 ] - [ 0.0000563300000000, 0.0000241300000000, 0.0000094300000000 ] - [ -0.0000661700000000, 0.0000687400000000, 0.0001452000000000 ] - [ 0.0000153400000000, 0.0001848900000000, -0.0000326700000000 ] - [ -0.0001052800000000, -0.0000696600000000, -0.0001332600000000 ] - [ 0.0000483700000000, 0.0015525200000000, 0.0006028400000000 ] - [ -0.0006185300000000, -0.0003570700000000, 0.0008720000000000 ] - [ -0.0003176400000000, 0.0000147700000000, 0.0002888300000000 ] - [ -0.0000550400000000, -0.0000096300000000, 0.0000308400000000 ] - [ 0.0000580000000000, 0.0001036600000000, -0.0003036600000000 ] - [ 0.0003537600000000, 0.0001481400000000, 0.0000265200000000 ] - [ -0.0002733500000000, 0.0000234200000000, -0.0002938200000000 ] - [ -0.0009990700000000, -0.0000750400000000, 0.0002563900000000 ] - [ -0.0002178700000000, 0.0001460000000000, -0.0002871300000000 ] - [ 0.0001449800000000, -0.0001192200000000, 0.0001402100000000 ] - [ 0.0050306700000000, -0.0381812700000000, 0.0110973600000000 ] - [ 0.0002252400000000, 0.0012703000000000, 0.0003586000000000 ] - [ -0.0001043100000000, 0.0002285200000000, 0.0000112000000000 ] - [ 0.0002421100000000, 0.0001276100000000, 0.0000166200000000 ] - [ 0.0000623700000000, 0.0000996100000000, -0.0003700800000000 ] - [ -0.0032782600000000, -0.0361021500000000, -0.0000299600000000 ] - [ -0.0001053600000000, 0.0002210400000000, 0.0000316600000000 ] - [ -0.0001274500000000, 0.0001012500000000, 0.0001388100000000 ] - [ -0.0001336800000000, -0.0000092000000000, 0.0000418400000000 ] - [ 0.0000160100000000, 0.0001486700000000, -0.0000190500000000 ] - [ -0.0057134600000000, 0.0090631300000000, -0.0080410600000000 ] - [ -0.0001040700000000, -0.0001342400000000, -0.0000745000000000 ] - [ -0.0000982800000000, 0.0000457800000000, 0.0000656300000000 ] - [ -0.0000580900000000, 0.0000950600000000, 0.0002648700000000 ] - [ 0.0026152700000000, 0.0021697400000000, -0.0000670800000000 ] - [ 0.0008131100000000, -0.0015207000000000, 0.0000383500000000 ] - [ 0.0000393700000000, 0.0001549200000000, -0.0000858200000000 ] - [ -0.0000238200000000, -0.0003318600000000, -0.0003440800000000 ] - [ 0.0000109000000000, 0.0001940000000000, 0.0000432500000000 ] - [ -0.0000370500000000, -0.0001524300000000, 0.0002683100000000 ] - [ -0.0042104900000000, 0.0063422200000000, -0.0090703800000000 ] - [ 0.0000494400000000, 0.0000522500000000, 0.0002034200000000 ] - [ -0.0000529900000000, 0.0002189800000000, 0.0003025300000000 ] - [ 0.0000141200000000, -0.0000075800000000, 0.0001480200000000 ] - [ -0.0000467800000000, 0.0001451300000000, 0.0000268900000000 ] - [ 0.0003897700000000, 0.0000012500000000, -0.0013290400000000 ] - [ 0.0003026700000000, -0.0000442100000000, -0.0008161500000000 ] - [ -0.0000200700000000, 0.0000954500000000, -0.0001629700000000 ] - [ 0.0001320300000000, 0.0000105200000000, -0.0000174600000000 ] - [ -0.0016308800000000, 0.0545543000000000, -0.0114959000000000 ] - [ -0.0000272700000000, 0.0000662300000000, 0.0001817500000000 ] - [ -0.0000411800000000, 0.0002615000000000, 0.0001140400000000 ] - [ 0.0001155700000000, 0.0002093600000000, 0.0002444300000000 ] - [ -0.0001225700000000, -0.0003271200000000, 0.0000044900000000 ] - [ 0.0001596800000000, 0.0002488400000000, -0.0000021600000000 ] - [ -0.0009091600000000, -0.0017041300000000, 0.0002660100000000 ] - [ 0.0018038500000000, 0.0019174800000000, -0.0004844400000000 ] - [ 0.0048643000000000, 0.0065470300000000, 0.0074243300000000 ] - [ 0.0000167300000000, 0.0001020300000000, 0.0003031700000000 ] - [ -0.0001284400000000, -0.0002085900000000, -0.0007299500000000 ] - [ 0.0000051000000000, 0.0002515900000000, 0.0002455300000000 ] - [ -0.0000140100000000, 0.0000372800000000, -0.0000801100000000 ] - [ 0.0000196300000000, 0.0000375000000000, 0.0000551100000000 ] - [ -0.0000476100000000, 0.0003807800000000, 0.0003261600000000 ] - [ 0.0000789100000000, 0.0002209700000000, -0.0002375100000000 ] - [ 0.0015062000000000, -0.0023746300000000, -0.0005257800000000 ] - [ 0.0000031100000000, 0.0002030900000000, 0.0000624600000000 ] - [ -0.0000139200000000, -0.0004614000000000, -0.0000898600000000 ] - [ -0.0000091900000000, 0.0000958500000000, -0.0000373200000000 ] - [ 0.0001053100000000, -0.0000113100000000, 0.0000912100000000 ] - [ -0.0016258900000000, -0.0028145100000000, 0.0001698600000000 ] - [ 0.0000242300000000, 0.0000520000000000, 0.0001759300000000 ] - [ 0.0000025700000000, 0.0003040500000000, -0.0000275900000000 ] - [ 0.0025272500000000, 0.0026221200000000, 0.0106745000000000 ]- atom: 88 displacement: [ -0.0000185648863736, 0.0000000000000000, 0.0099999827672348 ] forces: - [ -0.0000438800000000, 0.0000598600000000, 0.0015260300000000 ] - [ -0.0006060300000000, -0.0000304900000000, 0.0021913900000000 ] - [ -0.0013409100000000, 0.0001304700000000, -0.0032324700000000 ] - [ -0.0011520800000000, 0.0002219000000000, -0.0035137300000000 ] - [ 0.0028745300000000, -0.0004898300000000, -0.0029618100000000 ] - [ -0.0003479800000000, 0.0004860400000000, -0.0015699100000000 ] - [ 0.0001246600000000, -0.0000381600000000, -0.0012909000000000 ] - [ 0.0027534800000000, 0.0003524900000000, -0.0032773100000000 ] - [ 0.0000047900000000, 0.0002952100000000, -0.0012496700000000 ] - [ 0.0000539700000000, -0.0000203100000000, -0.0010826500000000 ] - [ 0.0000406600000000, 0.0004285800000000, -0.0007736500000000 ] - [ 0.0000819000000000, -0.0001399300000000, -0.0008149200000000 ] - [ -0.0002305100000000, 0.0001457000000000, -0.0007283200000000 ] - [ 0.0001476000000000, 0.0003435800000000, -0.0006456800000000 ] - [ -0.0000072900000000, -0.0000538400000000, -0.0009649800000000 ] - [ 0.0022398700000000, 0.0023468500000000, 0.0008658800000000 ] - [ -0.0001368700000000, -0.0009375000000000, 0.0096657400000000 ] - [ -0.0000902600000000, 0.0013811700000000, -0.0033693100000000 ] - [ -0.0001908900000000, -0.0000289200000000, -0.0007075500000000 ] - [ 0.0001304100000000, 0.0003493000000000, -0.0007345500000000 ] - [ 0.0000036300000000, 0.0003092900000000, -0.0006853400000000 ] - [ 0.0023226200000000, -0.0023236000000000, 0.0004050000000000 ] - [ -0.0013797900000000, -0.0024038000000000, 0.0004324900000000 ] - [ -0.0000725300000000, 0.0002482500000000, -0.0008319000000000 ] - [ -0.0002540000000000, -0.0001269200000000, 0.0025029600000000 ] - [ -0.0003838700000000, -0.0020452900000000, -0.0032758600000000 ] - [ 0.0012619000000000, 0.0004626200000000, 0.0080821100000000 ] - [ 0.0003777900000000, -0.0007583400000000, 0.0080994300000000 ] - [ 0.0003108600000000, 0.0004641400000000, -0.0010950400000000 ] - [ -0.0002935700000000, -0.0000204800000000, 0.0020882400000000 ] - [ 0.0026702400000000, 0.0016387300000000, 0.0013411000000000 ] - [ 0.0001664400000000, -0.0003683900000000, -0.0009676300000000 ] - [ 0.0000332900000000, 0.0000803200000000, -0.0008511600000000 ] - [ -0.0018016700000000, -0.0027072400000000, 0.0011901900000000 ] - [ -0.0016186400000000, 0.0024147800000000, 0.0010771300000000 ] - [ -0.0000372700000000, -0.0002231500000000, -0.0013560100000000 ] - [ 0.0000835800000000, 0.0000783700000000, -0.0008809500000000 ] - [ -0.0002140500000000, -0.0015632200000000, -0.0030649000000000 ] - [ 0.0001141900000000, -0.0000942500000000, -0.0008183300000000 ] - [ -0.0002892700000000, -0.0011169100000000, 0.0077759600000000 ] - [ -0.0000829700000000, 0.0005217700000000, 0.0001210500000000 ] - [ -0.0003025400000000, 0.0018898100000000, -0.0028348700000000 ] - [ -0.0002387100000000, 0.0026146400000000, 0.0013455400000000 ] - [ -0.0019621700000000, 0.0020321500000000, 0.0002101900000000 ] - [ 0.0001501900000000, -0.0003639400000000, -0.0006765900000000 ] - [ 0.0024628000000000, -0.0022532300000000, 0.0008266200000000 ] - [ -0.0000246500000000, 0.0002116600000000, -0.0006740000000000 ] - [ -0.0000940500000000, 0.0000776500000000, -0.0013247000000000 ] - [ -0.0000041700000000, 0.0001907900000000, 0.0031577500000000 ] - [ -0.0202028200000000, -0.0012238900000000, 0.0144780300000000 ] - [ -0.0011983500000000, -0.0004490600000000, 0.0020104800000000 ] - [ -0.0002959800000000, 0.0003468700000000, -0.0043123700000000 ] - [ 0.0000366100000000, -0.0002506900000000, -0.0044818000000000 ] - [ 0.0010273500000000, 0.0002519400000000, -0.0035678300000000 ] - [ -0.0007231200000000, -0.0005109100000000, -0.0030195400000000 ] - [ -0.0226861400000000, 0.0009456200000000, 0.0123292600000000 ] - [ 0.0006052200000000, 0.0000501900000000, -0.0038088300000000 ] - [ 0.0010209300000000, -0.0000918800000000, 0.0013988400000000 ] - [ 0.0218168200000000, -0.0102329500000000, 0.1819542600000000 ] - [ 0.0000343000000000, 0.0000666300000000, 0.0028850400000000 ] - [ -0.0002203900000000, 0.0005467600000000, -0.0026635100000000 ] - [ 0.0006240100000000, 0.0003170300000000, -0.0027402200000000 ] - [ 0.0001721600000000, -0.0001754300000000, -0.0030140200000000 ] - [ 0.0258172600000000, 0.0023717200000000, 0.1541239200000000 ] - [ -0.0005665800000000, 0.0015265400000000, 0.0011007500000000 ] - [ -0.0015729000000000, 0.0001801100000000, 0.0058256600000000 ] - [ 0.0005470100000000, 0.0019734100000000, 0.0011956800000000 ] - [ 0.0004630900000000, 0.0010118400000000, 0.0016376100000000 ] - [ -0.0133485100000000, 0.0237645100000000, 0.0193452700000000 ] - [ 0.0008339600000000, -0.0028888700000000, -0.0007543700000000 ] - [ -0.0005928300000000, -0.0015744800000000, 0.0011854200000000 ] - [ 0.0000257700000000, 0.0000504700000000, 0.0004437800000000 ] - [ 0.0477665800000000, 0.0009865100000000, 0.0001522000000000 ] - [ -0.0008537300000000, 0.0013340600000000, -0.0043362600000000 ] - [ 0.0002880700000000, 0.0010073600000000, 0.0012557900000000 ] - [ -0.0001901000000000, -0.0004303600000000, -0.0012164400000000 ] - [ 0.0005096500000000, -0.0014553600000000, 0.0009004800000000 ] - [ 0.0001539400000000, -0.0006118600000000, 0.0014710800000000 ] - [ -0.0071146800000000, 0.0269786300000000, 0.0130762500000000 ] - [ 0.0007564800000000, -0.0007313400000000, 0.0021981900000000 ] - [ -0.0003622000000000, 0.0002211900000000, 0.0013016200000000 ] - [ -0.0001611500000000, -0.0010042700000000, 0.0014567000000000 ] - [ -0.0002788400000000, 0.0013320600000000, 0.0020301200000000 ] - [ 0.0089823000000000, 0.0001839100000000, -0.0270292300000000 ] - [ 0.0019234300000000, -0.0007306200000000, -0.0048069900000000 ] - [ -0.0005816800000000, 0.0001054400000000, 0.0011506200000000 ] - [ 0.0006990900000000, 0.0007361600000000, 0.0021263900000000 ] - [ -0.0758458400000000, 0.0118283700000000, -0.4032736900000000 ] - [ 0.0001322500000000, -0.0008947300000000, 0.0014657400000000 ] - [ -0.0007047900000000, -0.0009124100000000, 0.0028623800000000 ] - [ 0.0011803800000000, 0.0000124400000000, 0.0045990200000000 ] - [ 0.0000244100000000, -0.0012293800000000, 0.0010525900000000 ] - [ 0.0004451000000000, 0.0026397900000000, -0.0009818900000000 ] - [ 0.0004741800000000, 0.0008793100000000, -0.0043282700000000 ] - [ 0.0461654800000000, 0.0000445800000000, -0.0036846100000000 ] - [ -0.0104276300000000, -0.0257754600000000, 0.0160927300000000 ] - [ -0.0010762700000000, 0.0000457100000000, 0.0048327400000000 ] - [ -0.0017155500000000, -0.0010004600000000, -0.0047616800000000 ] - [ 0.0015655400000000, 0.0005026100000000, 0.0067439900000000 ] - [ 0.0003720700000000, 0.0013788700000000, 0.0009063600000000 ] - [ 0.0005787000000000, -0.0022991000000000, -0.0017104000000000 ] - [ -0.0004497900000000, 0.0013539000000000, 0.0030881800000000 ] - [ 0.0000474300000000, 0.0002059800000000, 0.0004123600000000 ] - [ 0.0001412700000000, -0.0015348400000000, -0.0040837200000000 ] - [ -0.0005940600000000, 0.0023323700000000, 0.0012909400000000 ] - [ -0.0002621000000000, -0.0015579300000000, 0.0010705900000000 ] - [ 0.0004225100000000, 0.0019881400000000, -0.0005085200000000 ] - [ -0.0002413500000000, -0.0012410200000000, 0.0028363500000000 ] - [ -0.0004925000000000, -0.0012777400000000, -0.0040092100000000 ] - [ 0.0003268800000000, -0.0008281500000000, 0.0018921100000000 ] - [ -0.0004561000000000, 0.0011714600000000, 0.0015875000000000 ] - [ -0.0079730000000000, -0.0314277200000000, 0.0086763000000000 ]- atom: 88 displacement: [ 0.0000185648863736, 0.0000000000000000, -0.0099999827672348 ] forces: - [ 0.0000666300000000, 0.0001888100000000, -0.0010978200000000 ] - [ 0.0000847500000000, -0.0005592900000000, -0.0023464100000000 ] - [ 0.0018783000000000, 0.0004596200000000, 0.0033759200000000 ] - [ 0.0011170900000000, 0.0000262400000000, 0.0030708600000000 ] - [ -0.0029124900000000, 0.0002407300000000, 0.0025179000000000 ] - [ -0.0001738900000000, 0.0001072500000000, 0.0014350100000000 ] - [ -0.0001018800000000, -0.0002120800000000, 0.0017300700000000 ] - [ -0.0022147700000000, -0.0009392200000000, 0.0034113200000000 ] - [ 0.0000339100000000, -0.0000726200000000, 0.0012656700000000 ] - [ 0.0000644200000000, 0.0003003000000000, 0.0012720300000000 ] - [ -0.0000409700000000, 0.0001343700000000, 0.0006966400000000 ] - [ -0.0000774300000000, 0.0001070000000000, 0.0007889800000000 ] - [ -0.0000269400000000, -0.0000928500000000, 0.0008488500000000 ] - [ 0.0000271500000000, -0.0005377200000000, 0.0008094800000000 ] - [ 0.0001283700000000, 0.0002214400000000, 0.0008003000000000 ] - [ -0.0024189400000000, -0.0021425700000000, -0.0010575900000000 ] - [ 0.0002551400000000, 0.0006815700000000, -0.0098494500000000 ] - [ 0.0000520700000000, -0.0015972500000000, 0.0033427100000000 ] - [ 0.0000732100000000, 0.0002005900000000, 0.0008766300000000 ] - [ -0.0001312400000000, 0.0002137300000000, 0.0008148200000000 ] - [ 0.0000192700000000, 0.0000234300000000, 0.0011538000000000 ] - [ -0.0024327200000000, 0.0021554700000000, -0.0002280400000000 ] - [ 0.0013753700000000, 0.0024401800000000, -0.0003932500000000 ] - [ 0.0000385300000000, 0.0001258400000000, 0.0008425000000000 ] - [ 0.0002607100000000, 0.0001547200000000, -0.0025306200000000 ] - [ 0.0002621400000000, 0.0017524900000000, 0.0030758900000000 ] - [ -0.0013772700000000, -0.0007993500000000, -0.0080370900000000 ] - [ -0.0002915500000000, 0.0004539000000000, -0.0076500500000000 ] - [ -0.0001330400000000, -0.0002664400000000, 0.0012669400000000 ] - [ 0.0002943300000000, -0.0005394500000000, -0.0021677100000000 ] - [ -0.0029256800000000, -0.0017112200000000, -0.0011917000000000 ] - [ -0.0000671300000000, 0.0002840100000000, 0.0011622400000000 ] - [ -0.0000567800000000, 0.0002510600000000, 0.0003829500000000 ] - [ 0.0019295900000000, 0.0024151600000000, -0.0010181500000000 ] - [ 0.0016572000000000, -0.0026242200000000, -0.0010890900000000 ] - [ -0.0000619400000000, 0.0003084600000000, 0.0011638500000000 ] - [ 0.0001737000000000, -0.0000237100000000, 0.0007581500000000 ] - [ 0.0000957100000000, 0.0018526600000000, 0.0028847000000000 ] - [ -0.0001170100000000, 0.0000616300000000, 0.0008457100000000 ] - [ 0.0005422200000000, 0.0011690000000000, -0.0078619300000000 ] - [ 0.0000606400000000, -0.0008545600000000, -0.0005848200000000 ] - [ 0.0002686400000000, -0.0016775800000000, 0.0028363800000000 ] - [ 0.0002684600000000, -0.0029823600000000, -0.0013450200000000 ] - [ 0.0019527300000000, -0.0026025500000000, -0.0001221800000000 ] - [ -0.0000532400000000, 0.0004442200000000, 0.0008606000000000 ] - [ -0.0025679700000000, 0.0021626800000000, -0.0010373400000000 ] - [ 0.0000585600000000, 0.0001606300000000, 0.0006634900000000 ] - [ -0.0000828400000000, -0.0002727900000000, 0.0011587500000000 ] - [ 0.0004535500000000, -0.0003985800000000, -0.0028392800000000 ] - [ 0.0207696200000000, 0.0009970700000000, -0.0141566900000000 ] - [ 0.0006150200000000, 0.0002250800000000, -0.0023216400000000 ] - [ 0.0001572800000000, -0.0001547900000000, 0.0047836700000000 ] - [ 0.0001500700000000, 0.0006682800000000, 0.0042179800000000 ] - [ -0.0004524100000000, -0.0000290600000000, 0.0039090400000000 ] - [ 0.0001507300000000, 0.0007374100000000, 0.0026808300000000 ] - [ 0.0222444700000000, -0.0011747600000000, -0.0125621400000000 ] - [ -0.0010533500000000, 0.0001832300000000, 0.0035412500000000 ] - [ -0.0008735800000000, -0.0000983700000000, -0.0018466600000000 ] - [ -0.0191294000000000, 0.0087523900000000, -0.1719729400000000 ] - [ -0.0002243200000000, -0.0004631900000000, -0.0025778800000000 ] - [ 0.0000324700000000, -0.0001304500000000, 0.0029308800000000 ] - [ -0.0001793800000000, -0.0000840600000000, 0.0030124300000000 ] - [ -0.0000300900000000, 0.0003682700000000, 0.0025434000000000 ] - [ -0.0288435800000000, -0.0026726200000000, -0.1628091200000000 ] - [ 0.0003632800000000, -0.0014629700000000, -0.0011709600000000 ] - [ 0.0014417200000000, 0.0000232100000000, -0.0060220300000000 ] - [ -0.0007552300000000, -0.0020229000000000, -0.0012580800000000 ] - [ -0.0004666100000000, -0.0007981100000000, -0.0018041400000000 ] - [ 0.0129989900000000, -0.0238039500000000, -0.0189815800000000 ] - [ -0.0007586900000000, 0.0026256600000000, 0.0004843200000000 ] - [ 0.0003657400000000, 0.0016059600000000, -0.0010410600000000 ] - [ -0.0001357500000000, 0.0001453100000000, 0.0000146900000000 ] - [ -0.0475827300000000, -0.0013815800000000, 0.0001433500000000 ] - [ 0.0008483800000000, -0.0015252100000000, 0.0041849600000000 ] - [ -0.0002069400000000, -0.0007728800000000, -0.0015192100000000 ] - [ 0.0003384200000000, -0.0000148200000000, 0.0006960000000000 ] - [ -0.0004738000000000, 0.0019898100000000, -0.0009908300000000 ] - [ -0.0002553000000000, 0.0004139300000000, -0.0010091000000000 ] - [ 0.0075074500000000, -0.0274506000000000, -0.0131235400000000 ] - [ -0.0007534000000000, 0.0009431100000000, -0.0020342100000000 ] - [ 0.0002115600000000, 0.0002202100000000, -0.0007801200000000 ] - [ 0.0002183900000000, 0.0011043800000000, -0.0012637600000000 ] - [ 0.0002204000000000, -0.0012307300000000, -0.0022298400000000 ] - [ -0.0091152200000000, -0.0003813000000000, 0.0268233100000000 ] - [ -0.0017687600000000, 0.0005245500000000, 0.0049380200000000 ] - [ 0.0006859600000000, 0.0000895300000000, -0.0016081700000000 ] - [ -0.0004670500000000, -0.0007082000000000, -0.0022713500000000 ] - [ 0.0762021400000000, -0.0110254500000000, 0.4021746200000000 ] - [ -0.0002129200000000, 0.0011274400000000, -0.0012038500000000 ] - [ 0.0006600800000000, 0.0014384500000000, -0.0026861600000000 ] - [ -0.0010527000000000, 0.0004258900000000, -0.0045332700000000 ] - [ -0.0002577300000000, 0.0011885900000000, -0.0009177700000000 ] - [ -0.0004437000000000, -0.0028336800000000, 0.0011795100000000 ] - [ -0.0004286000000000, -0.0013801100000000, 0.0041523200000000 ] - [ -0.0463703500000000, -0.0002298500000000, 0.0034826800000000 ] - [ 0.0106212800000000, 0.0257124100000000, -0.0161641900000000 ] - [ 0.0012090800000000, 0.0001578000000000, -0.0046459200000000 ] - [ 0.0018217400000000, 0.0005563700000000, 0.0047701300000000 ] - [ -0.0016954200000000, -0.0000644900000000, -0.0068178600000000 ] - [ -0.0003696700000000, -0.0015325800000000, -0.0011019900000000 ] - [ -0.0003557200000000, 0.0022968100000000, 0.0015819600000000 ] - [ 0.0004103000000000, -0.0008210700000000, -0.0029922200000000 ] - [ 0.0001072900000000, 0.0002352700000000, -0.0009359700000000 ] - [ -0.0000506100000000, 0.0013665500000000, 0.0042732500000000 ] - [ 0.0005997300000000, -0.0021708800000000, -0.0014812100000000 ] - [ 0.0003039700000000, 0.0010110600000000, -0.0011717400000000 ] - [ -0.0004235700000000, -0.0021786600000000, 0.0006649900000000 ] - [ 0.0004453200000000, 0.0011938600000000, -0.0027685000000000 ] - [ 0.0003710700000000, 0.0009610700000000, 0.0042756300000000 ] - [ -0.0003279900000000, 0.0009977100000000, -0.0017063900000000 ] - [ 0.0004990700000000, -0.0006460300000000, -0.0017712800000000 ] - [ 0.0077168600000000, 0.0307658800000000, -0.0088714400000000 ]- atom: 93 displacement: [ 0.0099999995909515, 0.0000000000000000, -0.0000028602394792 ] forces: - [ 0.0016670100000000, -0.0005759600000000, -0.0000344000000000 ] - [ -0.0007769100000000, -0.0004212800000000, -0.0000417700000000 ] - [ -0.0001635100000000, 0.0000096800000000, 0.0012243900000000 ] - [ 0.0000349000000000, 0.0001160200000000, -0.0003952700000000 ] - [ -0.0011012500000000, 0.0009662300000000, -0.0023375600000000 ] - [ -0.0003153600000000, 0.0003056400000000, -0.0001386000000000 ] - [ 0.0000598300000000, -0.0001202800000000, 0.0001338900000000 ] - [ 0.0001721300000000, -0.0002758300000000, -0.0001057300000000 ] - [ 0.0000127900000000, 0.0001206400000000, -0.0000710000000000 ] - [ 0.0000529800000000, 0.0001402300000000, 0.0000240700000000 ] - [ 0.0000326900000000, 0.0002860700000000, -0.0000754700000000 ] - [ 0.0000305200000000, -0.0000292900000000, -0.0000469700000000 ] - [ -0.0001409800000000, 0.0000406300000000, 0.0001307500000000 ] - [ 0.0001209600000000, -0.0003995500000000, 0.0007436900000000 ] - [ 0.0000255200000000, 0.0000797300000000, -0.0001315800000000 ] - [ 0.0004976000000000, -0.0002788700000000, 0.0000570500000000 ] - [ -0.0007477700000000, 0.0000090200000000, 0.0000692600000000 ] - [ -0.0000699200000000, -0.0000453100000000, -0.0001004300000000 ] - [ -0.0000638300000000, 0.0000462500000000, 0.0002318300000000 ] - [ 0.0000546900000000, 0.0003508000000000, -0.0001893200000000 ] - [ 0.0000164300000000, 0.0001776400000000, 0.0001625500000000 ] - [ -0.0001134900000000, -0.0001965700000000, 0.0000259700000000 ] - [ 0.0000509300000000, -0.0001662800000000, 0.0000022300000000 ] - [ -0.0000203300000000, 0.0001722200000000, -0.0000250100000000 ] - [ 0.0031056700000000, -0.0001325000000000, 0.0012636600000000 ] - [ -0.0001072800000000, -0.0001974400000000, -0.0001794500000000 ] - [ -0.0001133100000000, -0.0003807500000000, -0.0004550800000000 ] - [ -0.0002734200000000, 0.0016968800000000, 0.0012300600000000 ] - [ 0.0001356800000000, 0.0001797100000000, -0.0000857100000000 ] - [ -0.0000981600000000, -0.0006967100000000, -0.0003330200000000 ] - [ -0.0002220300000000, 0.0001014800000000, -0.0000347400000000 ] - [ 0.0001093500000000, -0.0001257600000000, -0.0000403500000000 ] - [ 0.0001554200000000, 0.0001231800000000, -0.0002344600000000 ] - [ -0.0001778500000000, 0.0014334400000000, 0.0000812600000000 ] - [ 0.0000239500000000, -0.0005986500000000, 0.0001515200000000 ] - [ -0.0000395100000000, 0.0000052300000000, -0.0001606000000000 ] - [ 0.0000782200000000, 0.0000229000000000, -0.0001034800000000 ] - [ -0.0006960700000000, 0.0001107200000000, 0.0000190900000000 ] - [ 0.0000177300000000, -0.0000015800000000, -0.0003094400000000 ] - [ -0.0000454300000000, -0.0001829500000000, -0.0000744700000000 ] - [ 0.0000707600000000, -0.0000311100000000, -0.0002258600000000 ] - [ -0.0003862600000000, 0.0002318900000000, 0.0001652600000000 ] - [ -0.0001957900000000, -0.0001328000000000, 0.0000684300000000 ] - [ 0.0000708700000000, -0.0000860500000000, 0.0001856100000000 ] - [ 0.0027825000000000, -0.0006938400000000, -0.0013721600000000 ] - [ 0.0054088300000000, 0.0015519400000000, -0.0001859200000000 ] - [ -0.0000964600000000, 0.0001929500000000, -0.0000321400000000 ] - [ -0.0000819900000000, -0.0000792800000000, -0.0001557500000000 ] - [ 0.0020402900000000, -0.0021248400000000, 0.0011511000000000 ] - [ 0.0790065600000000, 0.0700216800000000, 0.0387491600000000 ] - [ -0.0004802000000000, -0.0001819400000000, 0.0002776300000000 ] - [ -0.0001172100000000, 0.0001057300000000, -0.0000235300000000 ] - [ -0.0001078900000000, 0.0000750500000000, -0.0004845800000000 ] - [ 0.0003153000000000, 0.0001315900000000, -0.0000613100000000 ] - [ -0.0009831700000000, -0.0023295000000000, -0.0006561400000000 ] - [ -0.0003737200000000, -0.0006548000000000, -0.0009856900000000 ] - [ 0.0000419200000000, 0.0002431500000000, -0.0004004800000000 ] - [ -0.0001032200000000, -0.0000895300000000, -0.0004119700000000 ] - [ 0.0002800100000000, -0.0000150700000000, -0.0003544500000000 ] - [ 0.0015430200000000, 0.0000708500000000, -0.0002006400000000 ] - [ 0.0000819600000000, 0.0002050700000000, 0.0004162300000000 ] - [ 0.0004218000000000, 0.0000833900000000, -0.0003892500000000 ] - [ -0.0009085100000000, 0.0011807000000000, 0.0001789600000000 ] - [ -0.0083668600000000, 0.0032292200000000, 0.0014891500000000 ] - [ -0.0000970700000000, 0.0000500400000000, 0.0000833100000000 ] - [ -0.0001579500000000, 0.0000954900000000, 0.0002105500000000 ] - [ 0.0009377900000000, -0.0024849100000000, -0.0020308700000000 ] - [ 0.0000906200000000, 0.0002350600000000, 0.0001084800000000 ] - [ 0.0000541800000000, -0.0000961500000000, 0.0001710100000000 ] - [ -0.0000863300000000, -0.0010209400000000, 0.0003890500000000 ] - [ -0.0012077300000000, 0.0013243400000000, -0.0009405400000000 ] - [ 0.0021444200000000, 0.0001636300000000, 0.0001152300000000 ] - [ -0.0007154800000000, -0.0002336600000000, 0.0001170700000000 ] - [ 0.0008125400000000, 0.0035678300000000, -0.0030995700000000 ] - [ -0.0001521600000000, 0.0000679500000000, -0.0002482500000000 ] - [ -0.0020453100000000, -0.0001250800000000, -0.0004694400000000 ] - [ -0.0003662900000000, 0.0003181700000000, 0.0001201500000000 ] - [ 0.0002500400000000, -0.0001131700000000, 0.0002588900000000 ] - [ 0.0040556400000000, -0.0034320700000000, -0.0011085500000000 ] - [ -0.0003486000000000, 0.0000229200000000, 0.0001602400000000 ] - [ -0.0001439000000000, 0.0002288500000000, 0.0007675000000000 ] - [ 0.0000461200000000, 0.0000909000000000, 0.0001095400000000 ] - [ 0.0002009300000000, 0.0001052100000000, 0.0000272900000000 ] - [ -0.0063666900000000, -0.0032440000000000, 0.0086789500000000 ] - [ 0.0002642700000000, -0.0001564400000000, -0.0007877100000000 ] - [ 0.0000490700000000, 0.0001051900000000, -0.0001048000000000 ] - [ 0.0001281100000000, 0.0000666800000000, 0.0000799900000000 ] - [ 0.0006385500000000, -0.0003799700000000, 0.0004135500000000 ] - [ -0.0000201200000000, 0.0000159500000000, 0.0002710400000000 ] - [ 0.0002692300000000, 0.0002813200000000, 0.0000638100000000 ] - [ -0.0000874400000000, 0.0002161800000000, -0.0005707900000000 ] - [ -0.0002010600000000, -0.0001452600000000, 0.0001017900000000 ] - [ -0.0767619000000000, -0.0885428400000000, -0.0384206100000000 ] - [ 0.0001487200000000, -0.0017118600000000, 0.0009932800000000 ] - [ 0.0107594600000000, 0.0109248600000000, 0.0054248000000000 ] - [ 0.0013870200000000, 0.0001311800000000, -0.0010102500000000 ] - [ -0.0001516500000000, 0.0001701300000000, 0.0011491500000000 ] - [ 0.0001244400000000, -0.0002333000000000, 0.0004042700000000 ] - [ 0.0000315900000000, 0.0002422900000000, 0.0002977500000000 ] - [ -0.0000312100000000, 0.0001030900000000, -0.0001091200000000 ] - [ -0.0167889900000000, 0.0047229900000000, -0.0133293000000000 ] - [ -0.0000296800000000, 0.0003212100000000, 0.0002064800000000 ] - [ -0.0002797400000000, 0.0002315600000000, -0.0002383500000000 ] - [ 0.0000685200000000, 0.0004849100000000, 0.0003197600000000 ] - [ 0.0018695700000000, 0.0041977000000000, 0.0037228600000000 ] - [ 0.0000262700000000, -0.0003454500000000, 0.0000530700000000 ] - [ 0.0005548900000000, 0.0001900400000000, 0.0000593800000000 ] - [ 0.0000969400000000, -0.0000801500000000, 0.0001700500000000 ] - [ -0.0000938700000000, 0.0012464600000000, 0.0007628700000000 ] - [ -0.0000058900000000, 0.0000229900000000, 0.0002202000000000 ] - [ 0.0000728500000000, 0.0002155000000000, -0.0000892000000000 ] - [ 0.0000261400000000, -0.0003886300000000, -0.0000630300000000 ]- atom: 93 displacement: [ -0.0099999995909515, 0.0000000000000000, 0.0000028602394792 ] forces: - [ -0.0016352300000000, 0.0008297300000000, 0.0004634200000000 ] - [ 0.0002564500000000, -0.0001652000000000, -0.0000827100000000 ] - [ 0.0006827000000000, 0.0005762600000000, -0.0011085100000000 ] - [ -0.0000577900000000, 0.0001319000000000, -0.0000456100000000 ] - [ 0.0010312700000000, -0.0012033700000000, 0.0018912400000000 ] - [ -0.0002070600000000, 0.0002880400000000, 0.0000127100000000 ] - [ -0.0000369900000000, -0.0001326800000000, 0.0003042100000000 ] - [ 0.0003569600000000, -0.0003274400000000, 0.0002664300000000 ] - [ 0.0000250300000000, 0.0001179400000000, 0.0000672100000000 ] - [ 0.0000644000000000, 0.0001296500000000, 0.0001528300000000 ] - [ -0.0000339100000000, 0.0002758700000000, 0.0000005100000000 ] - [ -0.0000335700000000, -0.0000079200000000, 0.0000196600000000 ] - [ -0.0001162900000000, 0.0000185700000000, -0.0000256800000000 ] - [ 0.0000420800000000, 0.0002239000000000, -0.0005825100000000 ] - [ 0.0000926400000000, 0.0000846500000000, -0.0000339700000000 ] - [ -0.0006805000000000, 0.0004758600000000, -0.0002252000000000 ] - [ 0.0008703200000000, -0.0001738800000000, -0.0002349200000000 ] - [ 0.0000050200000000, -0.0001446300000000, 0.0000799000000000 ] - [ -0.0000557500000000, 0.0001075300000000, -0.0000734200000000 ] - [ -0.0000531900000000, 0.0002128700000000, 0.0002639000000000 ] - [ 0.0000051900000000, 0.0001547900000000, 0.0003040400000000 ] - [ -0.0000024700000000, 0.0000176100000000, 0.0001516900000000 ] - [ -0.0000485600000000, 0.0002014500000000, 0.0000221200000000 ] - [ -0.0000126800000000, 0.0001986600000000, 0.0000292700000000 ] - [ -0.0031102900000000, 0.0001635700000000, -0.0012949300000000 ] - [ -0.0000249300000000, -0.0001058200000000, -0.0000092700000000 ] - [ 0.0000885500000000, 0.0000073200000000, 0.0004729100000000 ] - [ 0.0002918300000000, -0.0020477100000000, -0.0007678400000000 ] - [ 0.0000680100000000, 0.0000419300000000, 0.0002511400000000 ] - [ 0.0000954500000000, 0.0001401500000000, 0.0002677700000000 ] - [ -0.0000304500000000, -0.0001314500000000, 0.0001745700000000 ] - [ 0.0000031100000000, 0.0000242400000000, 0.0002391200000000 ] - [ -0.0001781600000000, 0.0002124700000000, -0.0002350400000000 ] - [ 0.0004793500000000, -0.0017860100000000, 0.0001154300000000 ] - [ 0.0000212900000000, 0.0003912300000000, -0.0001273900000000 ] - [ -0.0000542200000000, 0.0000732200000000, -0.0000340300000000 ] - [ 0.0001780000000000, 0.0000238200000000, -0.0000158900000000 ] - [ 0.0005842800000000, 0.0001641200000000, -0.0002078900000000 ] - [ -0.0000146200000000, -0.0000397500000000, 0.0003332500000000 ] - [ 0.0003026400000000, 0.0001314200000000, -0.0000402400000000 ] - [ -0.0000921400000000, -0.0002993000000000, -0.0002421800000000 ] - [ 0.0003618800000000, -0.0000005600000000, -0.0001782200000000 ] - [ 0.0002285500000000, -0.0002368200000000, -0.0000783500000000 ] - [ -0.0000711800000000, -0.0004737800000000, -0.0001143900000000 ] - [ -0.0026874200000000, 0.0007673400000000, 0.0015870900000000 ] - [ -0.0060213500000000, -0.0018771500000000, -0.0000028400000000 ] - [ 0.0001288000000000, 0.0001812200000000, 0.0000213600000000 ] - [ -0.0000935300000000, -0.0001136200000000, -0.0000116500000000 ] - [ -0.0016080400000000, 0.0018929100000000, -0.0008947600000000 ] - [ -0.0790090100000000, -0.0696222700000000, -0.0380083500000000 ] - [ -0.0000766300000000, -0.0000445800000000, -0.0006215000000000 ] - [ -0.0000211300000000, 0.0000892500000000, 0.0004771400000000 ] - [ 0.0002775400000000, 0.0003625400000000, 0.0002305300000000 ] - [ 0.0002537700000000, 0.0001001100000000, 0.0003884800000000 ] - [ 0.0004267200000000, 0.0025581000000000, 0.0003240700000000 ] - [ -0.0000874900000000, 0.0004297800000000, 0.0007727400000000 ] - [ -0.0004747800000000, 0.0000003800000000, 0.0001495700000000 ] - [ 0.0002227900000000, -0.0001000900000000, -0.0000598100000000 ] - [ -0.0000980700000000, -0.0004054800000000, 0.0000792000000000 ] - [ -0.0017181300000000, -0.0004862200000000, 0.0004594300000000 ] - [ -0.0002588700000000, 0.0002135000000000, -0.0001467500000000 ] - [ 0.0000170500000000, 0.0001476800000000, 0.0006574200000000 ] - [ 0.0010406400000000, -0.0009623900000000, -0.0006546200000000 ] - [ 0.0082551300000000, -0.0034177300000000, -0.0009949200000000 ] - [ -0.0001096900000000, 0.0000052500000000, -0.0001610000000000 ] - [ 0.0000255500000000, 0.0001111200000000, -0.0004076400000000 ] - [ -0.0011256500000000, 0.0024038300000000, 0.0019299400000000 ] - [ -0.0000848000000000, -0.0000221300000000, -0.0002610700000000 ] - [ -0.0000389400000000, -0.0004211800000000, -0.0000563300000000 ] - [ 0.0001389100000000, 0.0008108900000000, -0.0006862000000000 ] - [ 0.0009735600000000, -0.0012843900000000, 0.0010761800000000 ] - [ -0.0022462100000000, 0.0000329600000000, 0.0003403400000000 ] - [ 0.0005835700000000, -0.0002126800000000, 0.0004004200000000 ] - [ -0.0008129600000000, -0.0038034500000000, 0.0029596900000000 ] - [ 0.0002447500000000, 0.0001477700000000, -0.0000244000000000 ] - [ 0.0022025100000000, -0.0003188000000000, -0.0000478000000000 ] - [ 0.0004005000000000, 0.0001874200000000, -0.0002087600000000 ] - [ -0.0003523200000000, -0.0000825400000000, 0.0001936100000000 ] - [ -0.0038816000000000, 0.0034875500000000, 0.0011801900000000 ] - [ 0.0003789400000000, 0.0002021000000000, 0.0000151200000000 ] - [ -0.0000037300000000, 0.0002128000000000, -0.0002561100000000 ] - [ 0.0000118300000000, 0.0000030400000000, 0.0000982100000000 ] - [ -0.0002705500000000, -0.0000232100000000, -0.0002310300000000 ] - [ 0.0062793600000000, 0.0030068400000000, -0.0089888000000000 ] - [ -0.0001353900000000, -0.0000513000000000, 0.0009891700000000 ] - [ 0.0000528300000000, 0.0000921900000000, -0.0002971000000000 ] - [ 0.0001079500000000, -0.0000308700000000, -0.0002104400000000 ] - [ -0.0007750300000000, -0.0000613900000000, -0.0004748500000000 ] - [ -0.0000596900000000, 0.0002096100000000, 0.0000054000000000 ] - [ -0.0003408500000000, 0.0002548000000000, 0.0001315900000000 ] - [ 0.0002150800000000, 0.0002257500000000, 0.0006284800000000 ] - [ -0.0000312800000000, 0.0001116000000000, 0.0000316400000000 ] - [ 0.0776395300000000, 0.0879672700000000, 0.0383189900000000 ] - [ -0.0001068600000000, 0.0011714900000000, -0.0011506200000000 ] - [ -0.0106966000000000, -0.0109629500000000, -0.0058120000000000 ] - [ -0.0014290900000000, -0.0006609100000000, 0.0011018600000000 ] - [ 0.0002834800000000, 0.0000376600000000, -0.0009633800000000 ] - [ 0.0000045600000000, -0.0002067200000000, -0.0003325500000000 ] - [ -0.0001599400000000, 0.0001969000000000, -0.0003674600000000 ] - [ 0.0000368600000000, -0.0002697600000000, -0.0000907100000000 ] - [ 0.0170525400000000, -0.0047918300000000, 0.0131271000000000 ] - [ -0.0000093200000000, 0.0002192100000000, -0.0000902500000000 ] - [ 0.0004306600000000, 0.0002112400000000, -0.0002804700000000 ] - [ -0.0000110100000000, -0.0005807400000000, -0.0001109700000000 ] - [ -0.0018547200000000, -0.0040431000000000, -0.0039265400000000 ] - [ 0.0000167300000000, -0.0002251700000000, -0.0001573600000000 ] - [ -0.0006259200000000, -0.0004084900000000, 0.0000305300000000 ] - [ 0.0001082600000000, 0.0000239800000000, -0.0000868900000000 ] - [ 0.0000135800000000, -0.0014719800000000, -0.0004887500000000 ] - [ 0.0000046700000000, 0.0001353900000000, -0.0000193900000000 ] - [ -0.0000353300000000, 0.0003099000000000, -0.0000789300000000 ] - [ -0.0000617700000000, 0.0002992900000000, -0.0001676200000000 ]- atom: 93 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0003222700000000, -0.0030581300000000, -0.0009162800000000 ] - [ -0.0002263300000000, -0.0007455500000000, 0.0001961600000000 ] - [ 0.0005254500000000, 0.0010135500000000, 0.0011671600000000 ] - [ 0.0001954900000000, 0.0001840900000000, -0.0010725400000000 ] - [ 0.0016212800000000, 0.0027119900000000, 0.0022601300000000 ] - [ -0.0002810000000000, 0.0003562500000000, -0.0004296200000000 ] - [ 0.0000414700000000, -0.0001111200000000, -0.0001897600000000 ] - [ -0.0001111300000000, -0.0000877600000000, -0.0007730400000000 ] - [ 0.0000021800000000, 0.0002223200000000, -0.0003023500000000 ] - [ 0.0000329200000000, 0.0000248900000000, -0.0001960900000000 ] - [ 0.0000031000000000, 0.0004228300000000, -0.0002173100000000 ] - [ 0.0000265600000000, -0.0001710300000000, -0.0001597700000000 ] - [ -0.0001630400000000, -0.0002562500000000, -0.0000481300000000 ] - [ -0.0004403700000000, -0.0020453800000000, 0.0019579200000000 ] - [ 0.0000498000000000, -0.0000724100000000, -0.0002363000000000 ] - [ 0.0009831500000000, -0.0023350800000000, 0.0003228700000000 ] - [ -0.0002419800000000, 0.0008802300000000, 0.0000621200000000 ] - [ -0.0000505800000000, 0.0001380600000000, -0.0003904900000000 ] - [ 0.0000961700000000, 0.0003992200000000, -0.0003395700000000 ] - [ 0.0000465000000000, -0.0000606800000000, -0.0000269000000000 ] - [ 0.0000106200000000, 0.0002700900000000, 0.0000575400000000 ] - [ -0.0003858600000000, -0.0008604600000000, -0.0000367800000000 ] - [ 0.0002900300000000, -0.0007978600000000, -0.0000178200000000 ] - [ 0.0000112500000000, 0.0002898200000000, -0.0001125200000000 ] - [ -0.0001019600000000, 0.0032317600000000, 0.0032289800000000 ] - [ -0.0000990300000000, -0.0003959100000000, -0.0004964400000000 ] - [ -0.0007302400000000, -0.0007847400000000, -0.0003995100000000 ] - [ 0.0011192100000000, 0.0000106300000000, -0.0001703100000000 ] - [ 0.0001131600000000, 0.0004044900000000, -0.0005154400000000 ] - [ -0.0000777000000000, -0.0025084300000000, -0.0009041300000000 ] - [ -0.0002886200000000, 0.0007763600000000, 0.0004019200000000 ] - [ 0.0001056800000000, -0.0005277200000000, -0.0006497100000000 ] - [ 0.0000034800000000, -0.0001659800000000, -0.0005450300000000 ] - [ 0.0053637500000000, 0.0026430800000000, 0.0003903500000000 ] - [ -0.0006780700000000, -0.0022704900000000, 0.0005820200000000 ] - [ -0.0000236100000000, -0.0001023900000000, -0.0004044600000000 ] - [ 0.0001094800000000, 0.0001834100000000, -0.0002219600000000 ] - [ 0.0000065700000000, 0.0010216000000000, 0.0004200000000000 ] - [ -0.0001053700000000, 0.0003898600000000, -0.0003028500000000 ] - [ 0.0000484700000000, -0.0008551100000000, -0.0000023600000000 ] - [ 0.0000256400000000, 0.0003248900000000, -0.0000807000000000 ] - [ 0.0000418200000000, -0.0006582800000000, 0.0006820000000000 ] - [ -0.0000148200000000, 0.0001345600000000, 0.0003898300000000 ] - [ 0.0001520000000000, 0.0004518500000000, 0.0001869900000000 ] - [ -0.0002786100000000, 0.0026253900000000, -0.0002873400000000 ] - [ -0.0016074900000000, 0.0027712500000000, -0.0003800800000000 ] - [ 0.0000099700000000, 0.0000600900000000, -0.0002350900000000 ] - [ -0.0000651200000000, 0.0000130500000000, -0.0003862500000000 ] - [ 0.0004919900000000, -0.0036900600000000, 0.0019041100000000 ] - [ 0.0771552700000000, 0.2361382500000000, 0.0880136600000000 ] - [ -0.0004765600000000, -0.0003824100000000, 0.0008092100000000 ] - [ -0.0001240000000000, 0.0001066700000000, -0.0004318700000000 ] - [ 0.0000285000000000, -0.0000960300000000, -0.0006216800000000 ] - [ 0.0003702900000000, 0.0001774000000000, -0.0005784000000000 ] - [ 0.0002894600000000, -0.0028373500000000, -0.0011894100000000 ] - [ 0.0017868200000000, -0.0007631500000000, -0.0083348000000000 ] - [ -0.0005048400000000, 0.0006324900000000, -0.0007629900000000 ] - [ 0.0002247000000000, -0.0002792800000000, 0.0005166400000000 ] - [ 0.0011314400000000, 0.0005964600000000, -0.0017947600000000 ] - [ 0.0000792500000000, -0.0032041400000000, 0.0016418100000000 ] - [ -0.0001200300000000, 0.0003167100000000, -0.0011749200000000 ] - [ 0.0003503400000000, 0.0001856100000000, -0.0011542800000000 ] - [ -0.0001349900000000, -0.0024430000000000, -0.0011726700000000 ] - [ -0.0107111500000000, 0.0002183100000000, -0.0005193800000000 ] - [ 0.0000408600000000, 0.0006812800000000, 0.0002073900000000 ] - [ -0.0003355000000000, 0.0000768800000000, 0.0010658400000000 ] - [ -0.0041567100000000, 0.0032618600000000, 0.0034981300000000 ] - [ 0.0002104600000000, 0.0006109400000000, 0.0004891500000000 ] - [ -0.0002004600000000, 0.0008841300000000, 0.0008862600000000 ] - [ 0.0005684500000000, -0.0035690200000000, 0.0013458100000000 ] - [ -0.0003936300000000, 0.0033840000000000, -0.0007530400000000 ] - [ -0.0002662600000000, 0.0002301400000000, 0.0001694500000000 ] - [ -0.0029069200000000, -0.0000960300000000, 0.0004542900000000 ] - [ 0.0016384000000000, 0.0034991700000000, -0.0040667800000000 ] - [ -0.0000631000000000, 0.0002956800000000, -0.0004816500000000 ] - [ -0.0003879400000000, 0.0005582300000000, -0.0018839300000000 ] - [ -0.0000877700000000, 0.0032483500000000, -0.0010246900000000 ] - [ 0.0000289500000000, -0.0001255200000000, 0.0004022700000000 ] - [ 0.0035613600000000, -0.0051193700000000, -0.0013674200000000 ] - [ 0.0000217600000000, -0.0011931600000000, 0.0011936000000000 ] - [ 0.0001687000000000, 0.0002639500000000, 0.0000606200000000 ] - [ -0.0000852900000000, -0.0005041400000000, 0.0005055500000000 ] - [ -0.0000624700000000, 0.0005751400000000, -0.0000299700000000 ] - [ -0.0082357500000000, -0.0054678100000000, 0.0297671600000000 ] - [ 0.0004943900000000, -0.0001947600000000, -0.0016819800000000 ] - [ -0.0000156600000000, 0.0000882500000000, 0.0000965700000000 ] - [ 0.0002113900000000, 0.0000744300000000, 0.0004955300000000 ] - [ 0.0010579300000000, -0.0005511000000000, 0.0027169500000000 ] - [ 0.0000501200000000, -0.0004258800000000, 0.0005476800000000 ] - [ 0.0000376700000000, -0.0001676900000000, -0.0000375700000000 ] - [ 0.0006242700000000, 0.0000982700000000, 0.0022836300000000 ] - [ -0.0003016900000000, -0.0004903200000000, 0.0003124300000000 ] - [ -0.0905215500000000, -0.2685694300000000, -0.1043922400000000 ] - [ -0.0010566000000000, 0.0020453700000000, -0.0031236800000000 ] - [ 0.0335902000000000, -0.0024751000000000, -0.0044941400000000 ] - [ 0.0003674600000000, 0.0021318600000000, -0.0017502600000000 ] - [ -0.0004529400000000, 0.0001363200000000, 0.0023240400000000 ] - [ -0.0001832800000000, -0.0003406900000000, -0.0014252700000000 ] - [ 0.0001710000000000, 0.0002483200000000, 0.0008910700000000 ] - [ -0.0001847400000000, 0.0006373600000000, 0.0000965000000000 ] - [ -0.0128879600000000, 0.0278226900000000, -0.0107700500000000 ] - [ -0.0001185300000000, 0.0003203800000000, 0.0006061100000000 ] - [ 0.0000862600000000, 0.0002582700000000, -0.0000884600000000 ] - [ -0.0000172100000000, 0.0031854300000000, 0.0008730500000000 ] - [ 0.0041305900000000, 0.0027781800000000, 0.0041974600000000 ] - [ 0.0001353400000000, -0.0007064500000000, 0.0001945300000000 ] - [ 0.0011411900000000, 0.0026865000000000, 0.0024848700000000 ] - [ 0.0000081600000000, -0.0000816700000000, 0.0005227800000000 ] - [ -0.0001514900000000, 0.0033496600000000, 0.0012606500000000 ] - [ 0.0000523700000000, -0.0000341700000000, 0.0006404200000000 ] - [ -0.0002193600000000, 0.0007905500000000, 0.0004759000000000 ] - [ -0.0003274900000000, -0.0018705800000000, 0.0002961100000000 ]- atom: 93 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0003022900000000, 0.0031929200000000, 0.0013584700000000 ] - [ -0.0002946400000000, 0.0001478800000000, -0.0003442000000000 ] - [ 0.0000073800000000, -0.0004091900000000, -0.0010125900000000 ] - [ -0.0002130400000000, 0.0000734600000000, 0.0006198100000000 ] - [ -0.0016791300000000, -0.0029284200000000, -0.0026850600000000 ] - [ -0.0002431700000000, 0.0002339400000000, 0.0002920900000000 ] - [ -0.0000246000000000, -0.0001384500000000, 0.0006234900000000 ] - [ 0.0006135700000000, -0.0005432700000000, 0.0008907000000000 ] - [ 0.0000345800000000, -0.0000215600000000, 0.0003500800000000 ] - [ 0.0000873900000000, 0.0002761600000000, 0.0004139300000000 ] - [ -0.0000086900000000, 0.0001326700000000, 0.0001544900000000 ] - [ -0.0000271000000000, 0.0001463200000000, 0.0001446400000000 ] - [ -0.0000944400000000, 0.0003132000000000, 0.0001737100000000 ] - [ 0.0006158500000000, 0.0018681800000000, -0.0017774600000000 ] - [ 0.0000743600000000, 0.0002437700000000, 0.0000800200000000 ] - [ -0.0011402100000000, 0.0025403100000000, -0.0004996400000000 ] - [ 0.0003582100000000, -0.0010507500000000, -0.0002397700000000 ] - [ 0.0000413400000000, -0.0003910400000000, 0.0003762700000000 ] - [ -0.0002130400000000, -0.0002321100000000, 0.0004938400000000 ] - [ -0.0000422900000000, 0.0006324200000000, 0.0001000600000000 ] - [ 0.0000126000000000, 0.0000560500000000, 0.0004272000000000 ] - [ 0.0002642500000000, 0.0007305100000000, 0.0001760200000000 ] - [ -0.0002875900000000, 0.0008484800000000, 0.0000348800000000 ] - [ -0.0000451400000000, 0.0000799800000000, 0.0001364400000000 ] - [ 0.0000946200000000, -0.0032519200000000, -0.0031252800000000 ] - [ 0.0000005700000000, 0.0001373800000000, 0.0003130400000000 ] - [ 0.0006900900000000, 0.0004058200000000, 0.0003837800000000 ] - [ -0.0010986700000000, -0.0003295100000000, 0.0006263900000000 ] - [ 0.0000342600000000, -0.0002326600000000, 0.0006939300000000 ] - [ 0.0000807300000000, 0.0019462800000000, 0.0007927800000000 ] - [ 0.0000281800000000, -0.0008468700000000, -0.0003174400000000 ] - [ -0.0000286300000000, 0.0004697300000000, 0.0008335900000000 ] - [ -0.0000242100000000, 0.0004973200000000, 0.0000807300000000 ] - [ -0.0051460500000000, -0.0029658300000000, -0.0002137700000000 ] - [ 0.0006975200000000, 0.0020531800000000, -0.0005693200000000 ] - [ -0.0000768300000000, 0.0001927100000000, 0.0002270100000000 ] - [ 0.0001500600000000, -0.0001441700000000, 0.0001149300000000 ] - [ -0.0001283700000000, -0.0007344400000000, -0.0006212300000000 ] - [ 0.0001073300000000, -0.0004357400000000, 0.0003254600000000 ] - [ 0.0002127200000000, 0.0008108000000000, -0.0001313300000000 ] - [ -0.0000513400000000, -0.0006644200000000, -0.0003966200000000 ] - [ -0.0000762700000000, 0.0008811100000000, -0.0006943100000000 ] - [ 0.0000525600000000, -0.0005125100000000, -0.0004120400000000 ] - [ -0.0001476200000000, -0.0010256900000000, -0.0001140600000000 ] - [ 0.0003853500000000, -0.0025685700000000, 0.0003497500000000 ] - [ 0.0013513600000000, -0.0028974200000000, 0.0001817800000000 ] - [ 0.0000251400000000, 0.0003159800000000, 0.0002286000000000 ] - [ -0.0001149500000000, -0.0002128000000000, 0.0002295500000000 ] - [ -0.0000117800000000, 0.0034392200000000, -0.0016455000000000 ] - [ -0.0721135100000000, -0.2264438700000000, -0.0825805500000000 ] - [ -0.0000756800000000, 0.0001652500000000, -0.0011963800000000 ] - [ 0.0000329900000000, 0.0000818500000000, 0.0010079100000000 ] - [ 0.0001628600000000, 0.0005389000000000, 0.0004365400000000 ] - [ 0.0001236600000000, 0.0000494000000000, 0.0009979500000000 ] - [ -0.0008463800000000, 0.0030410200000000, 0.0008477400000000 ] - [ -0.0022424200000000, 0.0005070600000000, 0.0079430300000000 ] - [ 0.0000480000000000, -0.0003780700000000, 0.0005474200000000 ] - [ -0.0000222600000000, 0.0000763000000000, -0.0010764500000000 ] - [ -0.0009203600000000, -0.0010069200000000, 0.0014234300000000 ] - [ -0.0003265600000000, 0.0027826400000000, -0.0014098700000000 ] - [ -0.0000777900000000, 0.0000846800000000, 0.0014459500000000 ] - [ 0.0000975800000000, 0.0000397600000000, 0.0014277400000000 ] - [ 0.0002625500000000, 0.0026200700000000, 0.0007000100000000 ] - [ 0.0105082800000000, -0.0003997700000000, 0.0009156300000000 ] - [ -0.0002415400000000, -0.0007357600000000, -0.0002806400000000 ] - [ 0.0002346600000000, 0.0001388500000000, -0.0013622800000000 ] - [ 0.0039397900000000, -0.0032544900000000, -0.0035562900000000 ] - [ -0.0002173700000000, -0.0004249600000000, -0.0006622800000000 ] - [ 0.0000070500000000, -0.0013723400000000, -0.0005535800000000 ] - [ -0.0003817800000000, 0.0033000900000000, -0.0015391400000000 ] - [ 0.0001423400000000, -0.0033566600000000, 0.0008736100000000 ] - [ 0.0001540800000000, -0.0000418500000000, 0.0002907300000000 ] - [ 0.0027353700000000, -0.0003379700000000, 0.0000845500000000 ] - [ -0.0016498900000000, -0.0036333200000000, 0.0038886900000000 ] - [ 0.0001446100000000, -0.0001084900000000, 0.0001822400000000 ] - [ 0.0005644700000000, -0.0009949800000000, 0.0013758700000000 ] - [ 0.0001520400000000, -0.0027265200000000, 0.0009096100000000 ] - [ -0.0002157200000000, -0.0000671200000000, 0.0000497100000000 ] - [ -0.0033153400000000, 0.0051263500000000, 0.0014354500000000 ] - [ -0.0000248000000000, 0.0014158400000000, -0.0010364400000000 ] - [ -0.0003311600000000, 0.0001905000000000, 0.0004548100000000 ] - [ 0.0001521600000000, 0.0006323400000000, -0.0003144700000000 ] - [ 0.0000128300000000, -0.0005407100000000, -0.0002014100000000 ] - [ 0.0079222400000000, 0.0050545700000000, -0.0295529500000000 ] - [ -0.0003825500000000, -0.0000091700000000, 0.0019356000000000 ] - [ 0.0001765000000000, 0.0001058200000000, -0.0006779300000000 ] - [ 0.0000489300000000, -0.0000154400000000, -0.0006702000000000 ] - [ -0.0011564900000000, 0.0000996300000000, -0.0026491800000000 ] - [ -0.0001379200000000, 0.0006769100000000, -0.0002860900000000 ] - [ -0.0000693200000000, 0.0007200900000000, 0.0001873500000000 ] - [ -0.0004952200000000, 0.0003422700000000, -0.0022172600000000 ] - [ 0.0000795000000000, 0.0004961700000000, -0.0001678200000000 ] - [ 0.0861047200000000, 0.2586290000000000, 0.0994011800000000 ] - [ 0.0011061000000000, -0.0025135800000000, 0.0029478700000000 ] - [ -0.0331453600000000, 0.0021249300000000, 0.0038923300000000 ] - [ -0.0004045600000000, -0.0026447900000000, 0.0018307500000000 ] - [ 0.0005810200000000, 0.0000744200000000, -0.0021319000000000 ] - [ 0.0003417700000000, -0.0000947300000000, 0.0015986700000000 ] - [ -0.0003377300000000, 0.0001990400000000, -0.0010966400000000 ] - [ 0.0001902800000000, -0.0008534100000000, -0.0002870400000000 ] - [ 0.0129878500000000, -0.0275223100000000, 0.0105398400000000 ] - [ 0.0000310500000000, 0.0002395100000000, -0.0005636500000000 ] - [ 0.0000708900000000, 0.0001845400000000, -0.0004404000000000 ] - [ 0.0000981700000000, -0.0033325200000000, -0.0006512200000000 ] - [ -0.0041114700000000, -0.0025566800000000, -0.0043798800000000 ] - [ -0.0001003400000000, 0.0003329100000000, -0.0002852200000000 ] - [ -0.0009731900000000, -0.0028490800000000, -0.0021719300000000 ] - [ 0.0001615400000000, 0.0000123000000000, -0.0004906400000000 ] - [ 0.0000481900000000, -0.0036137400000000, -0.0009785800000000 ] - [ -0.0000407500000000, 0.0001789500000000, -0.0004681500000000 ] - [ 0.0002637600000000, -0.0002875200000000, -0.0006611300000000 ] - [ 0.0001696600000000, 0.0017263400000000, -0.0004024600000000 ]- atom: 93 displacement: [ -0.0000185648863736, 0.0000000000000000, 0.0099999827672348 ] forces: - [ -0.0002246000000000, -0.0014114800000000, 0.0022072000000000 ] - [ -0.0001503900000000, -0.0003437000000000, 0.0008833400000000 ] - [ 0.0017565700000000, 0.0015249200000000, -0.0003059100000000 ] - [ 0.0001432600000000, 0.0001863900000000, -0.0009654400000000 ] - [ -0.0028717000000000, 0.0010637300000000, 0.0010961400000000 ] - [ -0.0002968100000000, 0.0003620100000000, -0.0006515200000000 ] - [ 0.0000490400000000, -0.0000774800000000, -0.0003880900000000 ] - [ -0.0000361900000000, -0.0001783300000000, -0.0006992400000000 ] - [ -0.0000005500000000, 0.0000738200000000, -0.0004256600000000 ] - [ 0.0000376200000000, 0.0001766200000000, -0.0003259100000000 ] - [ 0.0000035900000000, 0.0002477100000000, -0.0003493900000000 ] - [ 0.0000272200000000, 0.0000004300000000, -0.0002848600000000 ] - [ -0.0001166500000000, 0.0000643500000000, -0.0000959700000000 ] - [ -0.0000829700000000, -0.0001176900000000, 0.0013208400000000 ] - [ 0.0000359500000000, 0.0000559100000000, -0.0003404300000000 ] - [ 0.0002372700000000, -0.0006211100000000, 0.0006354600000000 ] - [ 0.0001215200000000, -0.0000302700000000, 0.0001308900000000 ] - [ -0.0000568800000000, -0.0001163400000000, -0.0004267600000000 ] - [ 0.0002264200000000, -0.0000122000000000, -0.0003477200000000 ] - [ 0.0000160400000000, 0.0003555900000000, -0.0001303200000000 ] - [ -0.0000130500000000, 0.0001893200000000, -0.0000661300000000 ] - [ -0.0003225000000000, -0.0003416600000000, -0.0001161100000000 ] - [ 0.0002430700000000, -0.0002246200000000, -0.0001935800000000 ] - [ 0.0000777900000000, 0.0002007100000000, -0.0002794900000000 ] - [ -0.0001357900000000, 0.0002787400000000, 0.0049232800000000 ] - [ -0.0000873400000000, -0.0001255500000000, -0.0004962600000000 ] - [ -0.0006970500000000, -0.0003955400000000, 0.0001125900000000 ] - [ 0.0008896300000000, -0.0006155500000000, 0.0001212100000000 ] - [ 0.0001246000000000, 0.0001684300000000, -0.0005476100000000 ] - [ -0.0000531600000000, -0.0009945700000000, 0.0001799400000000 ] - [ -0.0004913900000000, 0.0002070400000000, -0.0002302600000000 ] - [ 0.0000901500000000, -0.0002071100000000, -0.0005969600000000 ] - [ 0.0000185700000000, 0.0000639100000000, -0.0003243700000000 ] - [ 0.0014376200000000, -0.0000428900000000, 0.0036477300000000 ] - [ -0.0001475700000000, -0.0006379500000000, 0.0005248200000000 ] - [ -0.0000289800000000, 0.0000419100000000, -0.0005573800000000 ] - [ 0.0001067100000000, 0.0000267900000000, -0.0002986600000000 ] - [ -0.0001241700000000, 0.0003536500000000, 0.0003041600000000 ] - [ -0.0002256200000000, -0.0000735700000000, -0.0004863700000000 ] - [ 0.0001730300000000, -0.0000833000000000, 0.0000613400000000 ] - [ 0.0000071300000000, 0.0000791500000000, -0.0005206500000000 ] - [ -0.0001198500000000, 0.0000957600000000, 0.0006209800000000 ] - [ 0.0000329700000000, -0.0001401600000000, -0.0001263700000000 ] - [ 0.0002251800000000, -0.0000831300000000, -0.0002296900000000 ] - [ -0.0004840000000000, 0.0019179100000000, 0.0082013900000000 ] - [ -0.0010184600000000, -0.0005122600000000, 0.0032789400000000 ] - [ -0.0000045100000000, 0.0001998000000000, -0.0001817100000000 ] - [ -0.0000584900000000, -0.0001327000000000, -0.0005337900000000 ] - [ -0.0000936700000000, 0.0001440600000000, -0.0005526700000000 ] - [ 0.0399234600000000, 0.0816257700000000, 0.0864883400000000 ] - [ -0.0001954600000000, -0.0000616500000000, -0.0008869200000000 ] - [ -0.0001186100000000, 0.0001424100000000, -0.0009579400000000 ] - [ -0.0004961300000000, -0.0000505500000000, -0.0012036100000000 ] - [ 0.0004812700000000, 0.0002735300000000, -0.0013373300000000 ] - [ -0.0000047300000000, -0.0025655800000000, -0.0006567900000000 ] - [ 0.0024698300000000, 0.0013047700000000, -0.0074099200000000 ] - [ -0.0006645100000000, 0.0014149000000000, -0.0019317100000000 ] - [ 0.0000266400000000, -0.0000796300000000, -0.0009388800000000 ] - [ 0.0012846200000000, -0.0001464300000000, 0.0002637200000000 ] - [ -0.0001550800000000, -0.0000659400000000, -0.0003218400000000 ] - [ -0.0000675400000000, 0.0001699600000000, -0.0007165600000000 ] - [ 0.0003069200000000, 0.0000605000000000, -0.0007882800000000 ] - [ -0.0003042000000000, -0.0019599700000000, -0.0006483600000000 ] - [ -0.0023955600000000, -0.0013719700000000, 0.0016714800000000 ] - [ -0.0001217400000000, -0.0001333400000000, 0.0005716100000000 ] - [ -0.0006579800000000, 0.0000962900000000, 0.0024051700000000 ] - [ -0.0031154200000000, 0.0035530000000000, 0.0013726000000000 ] - [ 0.0001928800000000, 0.0004050000000000, 0.0005399400000000 ] - [ -0.0000184100000000, 0.0000150800000000, 0.0004309500000000 ] - [ 0.0004078700000000, -0.0014613400000000, 0.0010288900000000 ] - [ -0.0011374100000000, 0.0019213600000000, -0.0016614600000000 ] - [ 0.0002234200000000, 0.0002693800000000, -0.0001130100000000 ] - [ -0.0023413700000000, -0.0001752400000000, 0.0004913900000000 ] - [ -0.0006835900000000, -0.0013829800000000, 0.0000291100000000 ] - [ -0.0001790400000000, -0.0002443000000000, -0.0001986400000000 ] - [ 0.0004256900000000, -0.0006037700000000, -0.0005704400000000 ] - [ 0.0007588400000000, 0.0018598300000000, -0.0017213400000000 ] - [ -0.0001404100000000, -0.0000993200000000, 0.0005060600000000 ] - [ 0.0013344000000000, -0.0011725800000000, -0.0016374700000000 ] - [ 0.0001153000000000, -0.0015767000000000, 0.0031176600000000 ] - [ 0.0006955400000000, 0.0002971500000000, 0.0006400300000000 ] - [ -0.0000620400000000, -0.0001486500000000, 0.0005543900000000 ] - [ -0.0000934400000000, 0.0002642300000000, 0.0002240000000000 ] - [ 0.0020626600000000, 0.0108152000000000, 0.0105917200000000 ] - [ -0.0002429300000000, -0.0001190300000000, 0.0012414900000000 ] - [ -0.0001520400000000, 0.0001004800000000, 0.0001524200000000 ] - [ 0.0003044600000000, 0.0004040500000000, 0.0007242400000000 ] - [ -0.0006181500000000, -0.0001265200000000, -0.0011301400000000 ] - [ 0.0000388000000000, -0.0000984500000000, 0.0005812800000000 ] - [ -0.0001092800000000, 0.0001045000000000, 0.0003640800000000 ] - [ 0.0004124400000000, 0.0000674700000000, 0.0014229000000000 ] - [ -0.0000827700000000, 0.0001177100000000, 0.0007082400000000 ] - [ -0.0385339400000000, -0.1022293600000000, -0.0950315700000000 ] - [ 0.0003603300000000, -0.0009696500000000, -0.0003302100000000 ] - [ 0.0125013200000000, -0.0024605200000000, -0.0059369800000000 ] - [ 0.0006844000000000, 0.0008286000000000, -0.0021933600000000 ] - [ -0.0003197500000000, 0.0000415000000000, 0.0016706700000000 ] - [ 0.0003975900000000, -0.0002111600000000, 0.0010381700000000 ] - [ 0.0004004200000000, 0.0003042900000000, 0.0017624400000000 ] - [ -0.0000027100000000, -0.0002796900000000, 0.0004830600000000 ] - [ -0.0149016700000000, 0.0068904600000000, -0.0170059900000000 ] - [ -0.0001776000000000, 0.0006371400000000, 0.0008051700000000 ] - [ 0.0000368000000000, 0.0002309000000000, -0.0000032100000000 ] - [ 0.0002462400000000, 0.0001674800000000, -0.0002561500000000 ] - [ 0.0038278000000000, 0.0043673900000000, 0.0022072100000000 ] - [ -0.0000220800000000, -0.0001162600000000, 0.0005907600000000 ] - [ 0.0004955400000000, 0.0009918800000000, 0.0025240200000000 ] - [ -0.0000265100000000, -0.0004250900000000, 0.0007155500000000 ] - [ -0.0002742000000000, 0.0002787200000000, -0.0000256900000000 ] - [ 0.0001086500000000, -0.0004554500000000, 0.0008543000000000 ] - [ -0.0001670600000000, 0.0005667400000000, 0.0005042800000000 ] - [ -0.0000793800000000, -0.0003560900000000, 0.0001615100000000 ]- atom: 93 displacement: [ 0.0000185648863736, 0.0000000000000000, -0.0099999827672348 ] forces: - [ 0.0002632200000000, 0.0016464200000000, -0.0017776500000000 ] - [ -0.0003372400000000, -0.0004098300000000, -0.0012386300000000 ] - [ -0.0012473700000000, -0.0009569500000000, 0.0003853700000000 ] - [ -0.0001663500000000, 0.0000532300000000, 0.0005281800000000 ] - [ 0.0028442800000000, -0.0012953800000000, -0.0016321500000000 ] - [ -0.0002337600000000, 0.0002618200000000, 0.0004627000000000 ] - [ -0.0000123200000000, -0.0001636500000000, 0.0008406300000000 ] - [ 0.0005504400000000, -0.0004158000000000, 0.0008225400000000 ] - [ 0.0000756200000000, 0.0000964600000000, 0.0004569000000000 ] - [ 0.0000993200000000, 0.0001348200000000, 0.0005372300000000 ] - [ -0.0000025800000000, 0.0002963700000000, 0.0002823900000000 ] - [ -0.0000363300000000, -0.0000229500000000, 0.0002679500000000 ] - [ -0.0001540500000000, 0.0000432300000000, 0.0001292400000000 ] - [ 0.0001738700000000, -0.0000423800000000, -0.0011458800000000 ] - [ 0.0000812900000000, 0.0001436200000000, 0.0001609700000000 ] - [ -0.0004765500000000, 0.0009009300000000, -0.0008083700000000 ] - [ -0.0000112100000000, -0.0002928800000000, -0.0003484000000000 ] - [ 0.0000066300000000, -0.0001149900000000, 0.0004211400000000 ] - [ -0.0003513200000000, 0.0001076600000000, 0.0004483100000000 ] - [ -0.0000120200000000, 0.0002175900000000, 0.0001761900000000 ] - [ 0.0000344200000000, 0.0001616000000000, 0.0005311300000000 ] - [ 0.0001979400000000, 0.0001630600000000, 0.0003021200000000 ] - [ -0.0002258100000000, 0.0002698900000000, 0.0002331600000000 ] - [ -0.0001170500000000, 0.0001788700000000, 0.0002748600000000 ] - [ 0.0000913200000000, -0.0003934800000000, -0.0045973200000000 ] - [ -0.0000320700000000, -0.0001354000000000, 0.0003025200000000 ] - [ 0.0006485900000000, -0.0000243800000000, -0.0000662400000000 ] - [ -0.0008544200000000, 0.0002342500000000, 0.0003595700000000 ] - [ 0.0000488600000000, 0.0000347400000000, 0.0007027300000000 ] - [ 0.0000424600000000, 0.0004064700000000, -0.0002353700000000 ] - [ 0.0002271300000000, -0.0002393400000000, 0.0003333400000000 ] - [ 0.0000013900000000, 0.0001260400000000, 0.0007600200000000 ] - [ -0.0000441100000000, 0.0003202400000000, -0.0001688500000000 ] - [ -0.0012592100000000, -0.0003690700000000, -0.0033697600000000 ] - [ 0.0002746500000000, 0.0005176600000000, -0.0004476300000000 ] - [ -0.0000870300000000, 0.0000699600000000, 0.0003828300000000 ] - [ 0.0001526000000000, -0.0000284800000000, 0.0001446200000000 ] - [ 0.0000486800000000, -0.0001602800000000, -0.0004905200000000 ] - [ 0.0002314900000000, 0.0000220500000000, 0.0004881900000000 ] - [ 0.0000975400000000, 0.0001253800000000, -0.0002430800000000 ] - [ -0.0000339700000000, -0.0004274600000000, 0.0000724100000000 ] - [ 0.0001448600000000, 0.0002430400000000, -0.0006211100000000 ] - [ -0.0000012600000000, -0.0002701600000000, 0.0000713900000000 ] - [ -0.0002208400000000, -0.0004840200000000, 0.0003016300000000 ] - [ 0.0006062900000000, -0.0021253200000000, -0.0086708600000000 ] - [ 0.0008895900000000, 0.0003597300000000, -0.0034007100000000 ] - [ 0.0000352900000000, 0.0002164100000000, 0.0001192000000000 ] - [ -0.0001547400000000, -0.0001252300000000, 0.0003762000000000 ] - [ 0.0008340200000000, -0.0001845700000000, 0.0010991700000000 ] - [ -0.0387309000000000, -0.0806365200000000, -0.0865349300000000 ] - [ -0.0004014400000000, -0.0001701300000000, 0.0005157300000000 ] - [ -0.0000152700000000, 0.0000271500000000, 0.0014736200000000 ] - [ 0.0007883400000000, 0.0004985900000000, 0.0008355100000000 ] - [ 0.0001018000000000, -0.0000519600000000, 0.0017499400000000 ] - [ -0.0005915200000000, 0.0027877200000000, 0.0001113300000000 ] - [ -0.0028284700000000, -0.0015538400000000, 0.0071762500000000 ] - [ 0.0001529600000000, -0.0011593700000000, 0.0015913100000000 ] - [ 0.0001286000000000, -0.0001112200000000, 0.0004282800000000 ] - [ -0.0011038100000000, -0.0002725200000000, -0.0004792700000000 ] - [ -0.0003816700000000, -0.0001595600000000, 0.0009081800000000 ] - [ -0.0001673600000000, 0.0001748500000000, 0.0010526900000000 ] - [ 0.0001691300000000, 0.0000944600000000, 0.0011182300000000 ] - [ 0.0005237300000000, 0.0021829800000000, -0.0001841300000000 ] - [ 0.0021631200000000, 0.0011559000000000, -0.0010323400000000 ] - [ -0.0001045100000000, 0.0001154600000000, -0.0006166200000000 ] - [ 0.0005171900000000, 0.0001033200000000, -0.0026219800000000 ] - [ 0.0029622200000000, -0.0035351100000000, -0.0012135300000000 ] - [ -0.0001305900000000, -0.0002591100000000, -0.0006730200000000 ] - [ -0.0000041800000000, -0.0005527000000000, -0.0002696200000000 ] - [ -0.0003418100000000, 0.0013133500000000, -0.0012996300000000 ] - [ 0.0008986000000000, -0.0019724900000000, 0.0019907600000000 ] - [ -0.0004061600000000, -0.0000746500000000, 0.0006427700000000 ] - [ 0.0021115700000000, -0.0002694000000000, 0.0000215600000000 ] - [ 0.0005364300000000, 0.0013592500000000, -0.0003539400000000 ] - [ 0.0003232000000000, 0.0004902900000000, -0.0000247900000000 ] - [ -0.0002969800000000, 0.0001563400000000, -0.0000223200000000 ] - [ -0.0006767100000000, -0.0014570100000000, 0.0018639500000000 ] - [ 0.0000741900000000, -0.0000998300000000, -0.0000948100000000 ] - [ -0.0010782300000000, 0.0009787800000000, 0.0016701700000000 ] - [ 0.0000754200000000, 0.0017586500000000, -0.0028207800000000 ] - [ -0.0008532400000000, 0.0001394100000000, -0.0001063500000000 ] - [ 0.0001268800000000, 0.0003295900000000, -0.0003697000000000 ] - [ -0.0000226200000000, -0.0001418000000000, -0.0003579300000000 ] - [ -0.0021202000000000, -0.0108544900000000, -0.0108459400000000 ] - [ 0.0003169400000000, -0.0000964900000000, -0.0010060400000000 ] - [ 0.0002721400000000, 0.0000930900000000, -0.0006253800000000 ] - [ -0.0001081500000000, -0.0004165600000000, -0.0008968500000000 ] - [ 0.0004883600000000, -0.0002965400000000, 0.0010309200000000 ] - [ -0.0001224800000000, 0.0004169600000000, -0.0003394100000000 ] - [ -0.0001213900000000, 0.0003501400000000, 0.0000111800000000 ] - [ -0.0002787300000000, 0.0003686100000000, -0.0013181000000000 ] - [ -0.0001430400000000, -0.0001207700000000, -0.0005520600000000 ] - [ 0.0379627900000000, 0.1011657000000000, 0.0959363200000000 ] - [ -0.0001172000000000, 0.0007014400000000, -0.0000566200000000 ] - [ -0.0125228900000000, 0.0022274700000000, 0.0053899300000000 ] - [ -0.0006825400000000, -0.0011777500000000, 0.0022701600000000 ] - [ 0.0004607900000000, 0.0001574200000000, -0.0014898400000000 ] - [ -0.0002218900000000, -0.0002338200000000, -0.0009233500000000 ] - [ -0.0005250400000000, 0.0001266900000000, -0.0018446700000000 ] - [ 0.0000106500000000, 0.0000929200000000, -0.0006637700000000 ] - [ 0.0150220800000000, -0.0069822200000000, 0.0168712800000000 ] - [ 0.0001434400000000, -0.0000791300000000, -0.0007239900000000 ] - [ 0.0001127900000000, 0.0002107500000000, -0.0005278000000000 ] - [ 0.0000287200000000, -0.0004360600000000, 0.0002200700000000 ] - [ -0.0038445800000000, -0.0041102500000000, -0.0022031700000000 ] - [ 0.0000455700000000, -0.0003689000000000, -0.0006717300000000 ] - [ -0.0004972900000000, -0.0012184400000000, -0.0023325100000000 ] - [ 0.0002419700000000, 0.0003956700000000, -0.0006602200000000 ] - [ -0.0000002000000000, -0.0006313100000000, 0.0001086400000000 ] - [ -0.0001354500000000, 0.0006640500000000, -0.0006964800000000 ] - [ 0.0001557800000000, -0.0001071800000000, -0.0006410100000000 ] - [ 0.0000309900000000, 0.0003006100000000, -0.0004064700000000 ]