# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/3b1dcf4c-3a50-4028-8b0a-c6e5c54c6615/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 Li2TiSn3(PO4)6 / R3 (146) / materials id 769380](https://mdr.nims.go.jp/datasets/b9618371-1481-4fe9-85b7-4149c29b61c1) ## Fulltext phonopy: version: 2.17.1 frequency_unit_conversion_factor: 15.633302 symmetry_tolerance: 1.00000e-05 configuration: save_params: ".true."physical_unit: atomic_mass: "AMU" length: "angstrom" force_constants: "eV/angstrom^2"space_group: type: "R3" number: 146 Hall_symbol: "R 3"primitive_matrix:- [ 0.666666666666667, -0.333333333333333, -0.333333333333333 ]- [ 0.333333333333333, 0.333333333333333, -0.666666666666667 ]- [ 0.333333333333333, 0.333333333333333, 0.333333333333333 ]supercell_matrix:- [ 1, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 4.329114580000004, 2.499415469999998, 7.083986106666659 ] # a - [ -4.329114589999995, 2.499415469999998, 7.083986106666659 ] # b - [ 0.000000010000004, -4.998830940000002, 7.083986106666659 ] # c points: - symbol: Li # 1 coordinates: [ 0.006640090000000, 0.006640100000002, 0.006640090000000 ] mass: 6.941000 - symbol: Li # 2 coordinates: [ 0.499086010000000, 0.499086000000002, 0.499086010000000 ] mass: 6.941000 - symbol: Ti # 3 coordinates: [ 0.142457610000000, 0.142457620000003, 0.142457610000000 ] mass: 47.867000 - symbol: Sn # 4 coordinates: [ 0.858287240000000, 0.858287240000003, 0.858287240000000 ] mass: 118.710000 - symbol: Sn # 5 coordinates: [ 0.640719220000000, 0.640719210000003, 0.640719220000000 ] mass: 118.710000 - symbol: Sn # 6 coordinates: [ 0.357527320000000, 0.357527310000002, 0.357527320000000 ] mass: 118.710000 - symbol: P # 7 coordinates: [ 0.956310510000000, 0.540247500000003, 0.250454990000000 ] mass: 30.973762 - symbol: P # 8 coordinates: [ 0.540247480000000, 0.250455010000003, 0.956310510000000 ] mass: 30.973762 - symbol: P # 9 coordinates: [ 0.250454990000000, 0.956310530000003, 0.540247480000000 ] mass: 30.973762 - symbol: P # 10 coordinates: [ 0.753671940000000, 0.043744700000002, 0.452138940000000 ] mass: 30.973762 - symbol: P # 11 coordinates: [ 0.452138940000000, 0.753671950000002, 0.043744690000000 ] mass: 30.973762 - symbol: P # 12 coordinates: [ 0.043744690000000, 0.452138950000002, 0.753671940000000 ] mass: 30.973762 - symbol: O # 13 coordinates: [ 0.882281370000000, 0.481599210000002, 0.703486170000000 ] mass: 15.999400 - symbol: O # 14 coordinates: [ 0.703486170000000, 0.882281390000002, 0.481599190000000 ] mass: 15.999400 - symbol: O # 15 coordinates: [ 0.937953490000000, 0.733845500000003, 0.090672950000000 ] mass: 15.999400 - symbol: O # 16 coordinates: [ 0.481599190000000, 0.703486190000002, 0.882281370000000 ] mass: 15.999400 - symbol: O # 17 coordinates: [ 0.764947940000000, 0.546899810000003, 0.414422470000000 ] mass: 15.999400 - symbol: O # 18 coordinates: [ 0.009023250000000, 0.378780480000003, 0.186553930000000 ] mass: 15.999400 - symbol: O # 19 coordinates: [ 0.733845490000000, 0.090672960000003, 0.937953490000000 ] mass: 15.999400 - symbol: O # 20 coordinates: [ 0.546899830000000, 0.414422450000003, 0.764947940000000 ] mass: 15.999400 - symbol: O # 21 coordinates: [ 0.414422470000000, 0.764947920000003, 0.546899830000000 ] mass: 15.999400 - symbol: O # 22 coordinates: [ 0.811810520000000, 0.004702840000002, 0.610974080000000 ] mass: 15.999400 - symbol: O # 23 coordinates: [ 0.915899130000000, 0.069767040000002, 0.261107000000000 ] mass: 15.999400 - symbol: O # 24 coordinates: [ 0.610974080000000, 0.811810520000002, 0.004702840000000 ] mass: 15.999400 - symbol: O # 25 coordinates: [ 0.378780500000000, 0.186553910000003, 0.009023250000000 ] mass: 15.999400 - symbol: O # 26 coordinates: [ 0.090672950000000, 0.937953500000003, 0.733845490000000 ] mass: 15.999400 - symbol: O # 27 coordinates: [ 0.186553930000000, 0.009023230000003, 0.378780500000000 ] mass: 15.999400 - symbol: O # 28 coordinates: [ 0.586778630000000, 0.232787040000002, 0.442932150000000 ] mass: 15.999400 - symbol: O # 29 coordinates: [ 0.442932150000000, 0.586778610000002, 0.232787060000000 ] mass: 15.999400 - symbol: O # 30 coordinates: [ 0.261107000000000, 0.915899130000002, 0.069767040000000 ] mass: 15.999400 - symbol: O # 31 coordinates: [ 0.004702840000000, 0.610974080000003, 0.811810520000000 ] mass: 15.999400 - symbol: O # 32 coordinates: [ 0.232787060000000, 0.442932130000002, 0.586778630000000 ] mass: 15.999400 - symbol: O # 33 coordinates: [ 0.509156400000000, 0.314502460000003, 0.107832090000000 ] mass: 15.999400 - symbol: O # 34 coordinates: [ 0.069767040000000, 0.261107000000002, 0.915899130000000 ] mass: 15.999400 - symbol: O # 35 coordinates: [ 0.314502480000000, 0.107832070000003, 0.509156400000000 ] mass: 15.999400 - symbol: O # 36 coordinates: [ 0.107832090000000, 0.509156380000003, 0.314502480000000 ] mass: 15.999400 reciprocal_lattice: # without 2pi - [ 0.115497058389828, 0.066682258009771, 0.047054487165021 ] # a* - [ -0.115497058389828, 0.066682257547674, 0.047054487165021 ] # b* - [ 0.000000000000000, -0.133364515557445, 0.047054487165021 ] # c*unit_cell: lattice: - [ 8.658229170000000, 0.000000000000000, 0.000000000000000 ] # a - [ -4.329114600000000, 7.498246410000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 21.251958320000000 ] # c points: - symbol: Li # 1 coordinates: [ 0.333333330000000, 0.666666670000000, 0.673306760000000 ] mass: 6.941000 reduced_to: 1 - symbol: Li # 2 coordinates: [ 0.666666670000000, 0.333333330000000, 0.832419340000000 ] mass: 6.941000 reduced_to: 2 - symbol: Li # 3 coordinates: [ 0.000000000000000, 0.000000000000000, 0.006640090000000 ] mass: 6.941000 reduced_to: 1 - symbol: Li # 4 coordinates: [ 0.333333330000000, 0.666666670000000, 0.165752670000000 ] mass: 6.941000 reduced_to: 2 - symbol: Li # 5 coordinates: [ 0.666666670000000, 0.333333330000000, 0.339973420000000 ] mass: 6.941000 reduced_to: 1 - symbol: Li # 6 coordinates: [ 0.000000000000000, 0.000000000000000, 0.499086000000000 ] mass: 6.941000 reduced_to: 2 - symbol: Ti # 7 coordinates: [ 0.333333330000000, 0.666666670000000, 0.809124280000000 ] mass: 47.867000 reduced_to: 7 - symbol: Ti # 8 coordinates: [ 0.000000000000000, 0.000000000000000, 0.142457620000000 ] mass: 47.867000 reduced_to: 7 - symbol: Ti # 9 coordinates: [ 0.666666670000000, 0.333333330000000, 0.475790950000000 ] mass: 47.867000 reduced_to: 7 - symbol: Sn # 10 coordinates: [ 0.000000000000000, 0.000000000000000, 0.858287240000000 ] mass: 118.710000 reduced_to: 10 - symbol: Sn # 11 coordinates: [ 0.666666670000000, 0.333333330000000, 0.974052550000000 ] mass: 118.710000 reduced_to: 11 - symbol: Sn # 12 coordinates: [ 0.666666670000000, 0.333333330000000, 0.690860650000000 ] mass: 118.710000 reduced_to: 12 - symbol: Sn # 13 coordinates: [ 0.666666670000000, 0.333333330000000, 0.191620570000000 ] mass: 118.710000 reduced_to: 10 - symbol: Sn # 14 coordinates: [ 0.333333330000000, 0.666666670000000, 0.307385890000000 ] mass: 118.710000 reduced_to: 11 - symbol: Sn # 15 coordinates: [ 0.333333330000000, 0.666666670000000, 0.024193980000000 ] mass: 118.710000 reduced_to: 12 - symbol: Sn # 16 coordinates: [ 0.333333330000000, 0.666666670000000, 0.524953900000000 ] mass: 118.710000 reduced_to: 10 - symbol: Sn # 17 coordinates: [ 0.000000000000000, 0.000000000000000, 0.640719220000000 ] mass: 118.710000 reduced_to: 11 - symbol: Sn # 18 coordinates: [ 0.000000000000000, 0.000000000000000, 0.357527310000000 ] mass: 118.710000 reduced_to: 12 - symbol: P # 19 coordinates: [ 0.040639510000000, 0.665216010000000, 0.915671000000000 ] mass: 30.973762 reduced_to: 19 - symbol: P # 20 coordinates: [ 0.624576480000000, 0.959360490000000, 0.915671000000000 ] mass: 30.973762 reduced_to: 20 - symbol: P # 21 coordinates: [ 0.334783990000000, 0.375423520000000, 0.915671000000000 ] mass: 30.973762 reduced_to: 21 - symbol: P # 22 coordinates: [ 0.003820080000000, 0.297712920000000, 0.749851860000000 ] mass: 30.973762 reduced_to: 22 - symbol: P # 23 coordinates: [ 0.702287080000000, 0.706107170000000, 0.749851860000000 ] mass: 30.973762 reduced_to: 23 - symbol: P # 24 coordinates: [ 0.293892830000000, 0.996179920000000, 0.749851860000000 ] mass: 30.973762 reduced_to: 24 - symbol: P # 25 coordinates: [ 0.707306180000000, 0.998549340000000, 0.249004330000000 ] mass: 30.973762 reduced_to: 19 - symbol: P # 26 coordinates: [ 0.291243150000000, 0.292693820000000, 0.249004330000000 ] mass: 30.973762 reduced_to: 20 - symbol: P # 27 coordinates: [ 0.001450660000000, 0.708756850000000, 0.249004330000000 ] mass: 30.973762 reduced_to: 21 - symbol: P # 28 coordinates: [ 0.670486740000000, 0.631046250000000, 0.083185200000000 ] mass: 30.973762 reduced_to: 22 - symbol: P # 29 coordinates: [ 0.368953750000000, 0.039440500000000, 0.083185200000000 ] mass: 30.973762 reduced_to: 23 - symbol: P # 30 coordinates: [ 0.960559500000000, 0.329513260000000, 0.083185200000000 ] mass: 30.973762 reduced_to: 24 - symbol: P # 31 coordinates: [ 0.373972850000000, 0.331882680000000, 0.582337660000000 ] mass: 30.973762 reduced_to: 19 - symbol: P # 32 coordinates: [ 0.957909810000000, 0.626027150000000, 0.582337660000000 ] mass: 30.973762 reduced_to: 20 - symbol: P # 33 coordinates: [ 0.668117320000000, 0.042090190000000, 0.582337660000000 ] mass: 30.973762 reduced_to: 21 - symbol: P # 34 coordinates: [ 0.337153410000000, 0.964379590000000, 0.416518530000000 ] mass: 30.973762 reduced_to: 22 - symbol: P # 35 coordinates: [ 0.035620410000000, 0.372773830000000, 0.416518530000000 ] mass: 30.973762 reduced_to: 23 - symbol: P # 36 coordinates: [ 0.627226170000000, 0.662846590000000, 0.416518530000000 ] mass: 30.973762 reduced_to: 24 - symbol: O # 37 coordinates: [ 0.193159120000000, 0.985636080000000, 0.689122250000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 38 coordinates: [ 0.014363920000000, 0.207523060000000, 0.689122250000000 ] mass: 15.999400 reduced_to: 38 - symbol: O # 39 coordinates: [ 0.017129510000000, 0.830151030000000, 0.920823980000000 ] mass: 15.999400 reduced_to: 39 - symbol: O # 40 coordinates: [ 0.792476940000000, 0.806840880000000, 0.689122250000000 ] mass: 15.999400 reduced_to: 40 - symbol: O # 41 coordinates: [ 0.856191200000000, 0.494334270000000, 0.908756740000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 42 coordinates: [ 0.150904030000000, 0.671565290000000, 0.858119220000000 ] mass: 15.999400 reduced_to: 42 - symbol: O # 43 coordinates: [ 0.813021510000000, 0.982870490000000, 0.920823980000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 44 coordinates: [ 0.638143090000000, 0.143808800000000, 0.908756740000000 ] mass: 15.999400 reduced_to: 44 - symbol: O # 45 coordinates: [ 0.505665730000000, 0.361856910000000, 0.908756740000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 46 coordinates: [ 0.002648040000000, 0.198188400000000, 0.809162480000000 ] mass: 15.999400 reduced_to: 46 - symbol: O # 47 coordinates: [ 0.166974740000000, 0.487817390000000, 0.748924390000000 ] mass: 15.999400 reduced_to: 47 - symbol: O # 48 coordinates: [ 0.801811600000000, 0.804459640000000, 0.809162480000000 ] mass: 15.999400 reduced_to: 48 - symbol: O # 49 coordinates: [ 0.520661280000000, 0.849095970000000, 0.858119220000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 50 coordinates: [ 0.169848970000000, 0.186978490000000, 0.920823980000000 ] mass: 15.999400 reduced_to: 50 - symbol: O # 51 coordinates: [ 0.328434710000000, 0.479338720000000, 0.858119220000000 ] mass: 15.999400 reduced_to: 51 - symbol: O # 52 coordinates: [ 0.832612690000000, 0.311233790000000, 0.754165940000000 ] mass: 15.999400 reduced_to: 52 - symbol: O # 53 coordinates: [ 0.688766210000000, 0.521378880000000, 0.754165940000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 54 coordinates: [ 0.512182610000000, 0.679157350000000, 0.748924390000000 ] mass: 15.999400 reduced_to: 54 - symbol: O # 55 coordinates: [ 0.195540360000000, 0.997351960000000, 0.809162480000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 56 coordinates: [ 0.478621120000000, 0.167387310000000, 0.754165940000000 ] mass: 15.999400 reduced_to: 56 - symbol: O # 57 coordinates: [ 0.531992750000000, 0.869331560000000, 0.977163650000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 58 coordinates: [ 0.320842650000000, 0.833025260000000, 0.748924390000000 ] mass: 15.999400 reduced_to: 58 - symbol: O # 59 coordinates: [ 0.337338830000000, 0.468007250000000, 0.977163650000000 ] mass: 15.999400 reduced_to: 59 - symbol: O # 60 coordinates: [ 0.130668440000000, 0.662661170000000, 0.977163650000000 ] mass: 15.999400 reduced_to: 60 - symbol: O # 61 coordinates: [ 0.859825790000000, 0.318969420000000, 0.022455580000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 62 coordinates: [ 0.681030580000000, 0.540856390000000, 0.022455580000000 ] mass: 15.999400 reduced_to: 38 - symbol: O # 63 coordinates: [ 0.683796180000000, 0.163484360000000, 0.254157320000000 ] mass: 15.999400 reduced_to: 39 - symbol: O # 64 coordinates: [ 0.459143610000000, 0.140174210000000, 0.022455580000000 ] mass: 15.999400 reduced_to: 40 - symbol: O # 65 coordinates: [ 0.522857870000000, 0.827667610000000, 0.242090080000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 66 coordinates: [ 0.817570690000000, 0.004898620000000, 0.191452560000000 ] mass: 15.999400 reduced_to: 42 - symbol: O # 67 coordinates: [ 0.479688180000000, 0.316203820000000, 0.254157320000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 68 coordinates: [ 0.304809760000000, 0.477142130000000, 0.242090080000000 ] mass: 15.999400 reduced_to: 44 - symbol: O # 69 coordinates: [ 0.172332390000000, 0.695190240000000, 0.242090080000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 70 coordinates: [ 0.669314710000000, 0.531521730000000, 0.142495810000000 ] mass: 15.999400 reduced_to: 46 - symbol: O # 71 coordinates: [ 0.833641410000000, 0.821150720000000, 0.082257730000000 ] mass: 15.999400 reduced_to: 47 - symbol: O # 72 coordinates: [ 0.468478270000000, 0.137792980000000, 0.142495810000000 ] mass: 15.999400 reduced_to: 48 - symbol: O # 73 coordinates: [ 0.187327950000000, 0.182429310000000, 0.191452560000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 74 coordinates: [ 0.836515640000000, 0.520311820000000, 0.254157320000000 ] mass: 15.999400 reduced_to: 50 - symbol: O # 75 coordinates: [ 0.995101380000000, 0.812672050000000, 0.191452560000000 ] mass: 15.999400 reduced_to: 51 - symbol: O # 76 coordinates: [ 0.499279350000000, 0.644567130000000, 0.087499280000000 ] mass: 15.999400 reduced_to: 52 - symbol: O # 77 coordinates: [ 0.355432870000000, 0.854712220000000, 0.087499280000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 78 coordinates: [ 0.178849280000000, 0.012490680000000, 0.082257730000000 ] mass: 15.999400 reduced_to: 54 - symbol: O # 79 coordinates: [ 0.862207020000000, 0.330685290000000, 0.142495810000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 80 coordinates: [ 0.145287780000000, 0.500720650000000, 0.087499280000000 ] mass: 15.999400 reduced_to: 56 - symbol: O # 81 coordinates: [ 0.198659410000000, 0.202664900000000, 0.310496990000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 82 coordinates: [ 0.987509320000000, 0.166358590000000, 0.082257730000000 ] mass: 15.999400 reduced_to: 58 - symbol: O # 83 coordinates: [ 0.004005500000000, 0.801340590000000, 0.310496990000000 ] mass: 15.999400 reduced_to: 59 - symbol: O # 84 coordinates: [ 0.797335100000000, 0.995994500000000, 0.310496990000000 ] mass: 15.999400 reduced_to: 60 - symbol: O # 85 coordinates: [ 0.526492460000000, 0.652302750000000, 0.355788920000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 86 coordinates: [ 0.347697250000000, 0.874189730000000, 0.355788920000000 ] mass: 15.999400 reduced_to: 38 - symbol: O # 87 coordinates: [ 0.350462850000000, 0.496817690000000, 0.587490650000000 ] mass: 15.999400 reduced_to: 39 - symbol: O # 88 coordinates: [ 0.125810270000000, 0.473507540000000, 0.355788920000000 ] mass: 15.999400 reduced_to: 40 - symbol: O # 89 coordinates: [ 0.189524530000000, 0.161000940000000, 0.575423410000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 90 coordinates: [ 0.484237360000000, 0.338231950000000, 0.524785890000000 ] mass: 15.999400 reduced_to: 42 - symbol: O # 91 coordinates: [ 0.146354850000000, 0.649537150000000, 0.587490650000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 92 coordinates: [ 0.971476430000000, 0.810475470000000, 0.575423410000000 ] mass: 15.999400 reduced_to: 44 - symbol: O # 93 coordinates: [ 0.838999060000000, 0.028523570000000, 0.575423410000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 94 coordinates: [ 0.335981370000000, 0.864855060000000, 0.475829150000000 ] mass: 15.999400 reduced_to: 46 - symbol: O # 95 coordinates: [ 0.500308070000000, 0.154484050000000, 0.415591060000000 ] mass: 15.999400 reduced_to: 47 - symbol: O # 96 coordinates: [ 0.135144940000000, 0.471126310000000, 0.475829150000000 ] mass: 15.999400 reduced_to: 48 - symbol: O # 97 coordinates: [ 0.853994610000000, 0.515762640000000, 0.524785890000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 98 coordinates: [ 0.503182310000000, 0.853645150000000, 0.587490650000000 ] mass: 15.999400 reduced_to: 50 - symbol: O # 99 coordinates: [ 0.661768050000000, 0.146005390000000, 0.524785890000000 ] mass: 15.999400 reduced_to: 51 - symbol: O # 100 coordinates: [ 0.165946020000000, 0.977900460000000, 0.420832610000000 ] mass: 15.999400 reduced_to: 52 - symbol: O # 101 coordinates: [ 0.022099540000000, 0.188045550000000, 0.420832610000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 102 coordinates: [ 0.845515950000000, 0.345824010000000, 0.415591060000000 ] mass: 15.999400 reduced_to: 54 - symbol: O # 103 coordinates: [ 0.528873690000000, 0.664018630000000, 0.475829150000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 104 coordinates: [ 0.811954450000000, 0.834053980000000, 0.420832610000000 ] mass: 15.999400 reduced_to: 56 - symbol: O # 105 coordinates: [ 0.865326080000000, 0.535998230000000, 0.643830320000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 106 coordinates: [ 0.654175990000000, 0.499691930000000, 0.415591060000000 ] mass: 15.999400 reduced_to: 58 - symbol: O # 107 coordinates: [ 0.670672170000000, 0.134673920000000, 0.643830320000000 ] mass: 15.999400 reduced_to: 59 - symbol: O # 108 coordinates: [ 0.464001770000000, 0.329327830000000, 0.643830320000000 ] mass: 15.999400 reduced_to: 60supercell: lattice: - [ 8.658229170000000, 0.000000000000000, 0.000000000000000 ] # a - [ -4.329114600000000, 7.498246410000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 21.251958320000000 ] # c points: - symbol: Li # 1 coordinates: [ 0.333333330000000, 0.666666670000000, 0.673306760000000 ] mass: 6.941000 reduced_to: 1 - symbol: Li # 2 coordinates: [ 0.666666670000000, 0.333333330000000, 0.832419340000000 ] mass: 6.941000 reduced_to: 2 - symbol: Li # 3 coordinates: [ 0.000000000000000, 0.000000000000000, 0.006640090000000 ] mass: 6.941000 reduced_to: 1 - symbol: Li # 4 coordinates: [ 0.333333330000000, 0.666666670000000, 0.165752670000000 ] mass: 6.941000 reduced_to: 2 - symbol: Li # 5 coordinates: [ 0.666666670000000, 0.333333330000000, 0.339973420000000 ] mass: 6.941000 reduced_to: 1 - symbol: Li # 6 coordinates: [ 0.000000000000000, 0.000000000000000, 0.499086000000000 ] mass: 6.941000 reduced_to: 2 - symbol: Ti # 7 coordinates: [ 0.333333330000000, 0.666666670000000, 0.809124280000000 ] mass: 47.867000 reduced_to: 7 - symbol: Ti # 8 coordinates: [ 0.000000000000000, 0.000000000000000, 0.142457620000000 ] mass: 47.867000 reduced_to: 7 - symbol: Ti # 9 coordinates: [ 0.666666670000000, 0.333333330000000, 0.475790950000000 ] mass: 47.867000 reduced_to: 7 - symbol: Sn # 10 coordinates: [ 0.000000000000000, 0.000000000000000, 0.858287240000000 ] mass: 118.710000 reduced_to: 10 - symbol: Sn # 11 coordinates: [ 0.666666670000000, 0.333333330000000, 0.974052550000000 ] mass: 118.710000 reduced_to: 11 - symbol: Sn # 12 coordinates: [ 0.666666670000000, 0.333333330000000, 0.690860650000000 ] mass: 118.710000 reduced_to: 12 - symbol: Sn # 13 coordinates: [ 0.666666670000000, 0.333333330000000, 0.191620570000000 ] mass: 118.710000 reduced_to: 10 - symbol: Sn # 14 coordinates: [ 0.333333330000000, 0.666666670000000, 0.307385890000000 ] mass: 118.710000 reduced_to: 11 - symbol: Sn # 15 coordinates: [ 0.333333330000000, 0.666666670000000, 0.024193980000000 ] mass: 118.710000 reduced_to: 12 - symbol: Sn # 16 coordinates: [ 0.333333330000000, 0.666666670000000, 0.524953900000000 ] mass: 118.710000 reduced_to: 10 - symbol: Sn # 17 coordinates: [ 0.000000000000000, 0.000000000000000, 0.640719220000000 ] mass: 118.710000 reduced_to: 11 - symbol: Sn # 18 coordinates: [ 0.000000000000000, 0.000000000000000, 0.357527310000000 ] mass: 118.710000 reduced_to: 12 - symbol: P # 19 coordinates: [ 0.040639510000000, 0.665216010000000, 0.915671000000000 ] mass: 30.973762 reduced_to: 19 - symbol: P # 20 coordinates: [ 0.624576480000000, 0.959360490000000, 0.915671000000000 ] mass: 30.973762 reduced_to: 20 - symbol: P # 21 coordinates: [ 0.334783990000000, 0.375423520000000, 0.915671000000000 ] mass: 30.973762 reduced_to: 21 - symbol: P # 22 coordinates: [ 0.003820080000000, 0.297712920000000, 0.749851860000000 ] mass: 30.973762 reduced_to: 22 - symbol: P # 23 coordinates: [ 0.702287080000000, 0.706107170000000, 0.749851860000000 ] mass: 30.973762 reduced_to: 23 - symbol: P # 24 coordinates: [ 0.293892830000000, 0.996179920000000, 0.749851860000000 ] mass: 30.973762 reduced_to: 24 - symbol: P # 25 coordinates: [ 0.707306180000000, 0.998549340000000, 0.249004330000000 ] mass: 30.973762 reduced_to: 19 - symbol: P # 26 coordinates: [ 0.291243150000000, 0.292693820000000, 0.249004330000000 ] mass: 30.973762 reduced_to: 20 - symbol: P # 27 coordinates: [ 0.001450660000000, 0.708756850000000, 0.249004330000000 ] mass: 30.973762 reduced_to: 21 - symbol: P # 28 coordinates: [ 0.670486740000000, 0.631046250000000, 0.083185200000000 ] mass: 30.973762 reduced_to: 22 - symbol: P # 29 coordinates: [ 0.368953750000000, 0.039440500000000, 0.083185200000000 ] mass: 30.973762 reduced_to: 23 - symbol: P # 30 coordinates: [ 0.960559500000000, 0.329513260000000, 0.083185200000000 ] mass: 30.973762 reduced_to: 24 - symbol: P # 31 coordinates: [ 0.373972850000000, 0.331882680000000, 0.582337660000000 ] mass: 30.973762 reduced_to: 19 - symbol: P # 32 coordinates: [ 0.957909810000000, 0.626027150000000, 0.582337660000000 ] mass: 30.973762 reduced_to: 20 - symbol: P # 33 coordinates: [ 0.668117320000000, 0.042090190000000, 0.582337660000000 ] mass: 30.973762 reduced_to: 21 - symbol: P # 34 coordinates: [ 0.337153410000000, 0.964379590000000, 0.416518530000000 ] mass: 30.973762 reduced_to: 22 - symbol: P # 35 coordinates: [ 0.035620410000000, 0.372773830000000, 0.416518530000000 ] mass: 30.973762 reduced_to: 23 - symbol: P # 36 coordinates: [ 0.627226170000000, 0.662846590000000, 0.416518530000000 ] mass: 30.973762 reduced_to: 24 - symbol: O # 37 coordinates: [ 0.193159120000000, 0.985636080000000, 0.689122250000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 38 coordinates: [ 0.014363920000000, 0.207523060000000, 0.689122250000000 ] mass: 15.999400 reduced_to: 38 - symbol: O # 39 coordinates: [ 0.017129510000000, 0.830151030000000, 0.920823980000000 ] mass: 15.999400 reduced_to: 39 - symbol: O # 40 coordinates: [ 0.792476940000000, 0.806840880000000, 0.689122250000000 ] mass: 15.999400 reduced_to: 40 - symbol: O # 41 coordinates: [ 0.856191200000000, 0.494334270000000, 0.908756740000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 42 coordinates: [ 0.150904030000000, 0.671565290000000, 0.858119220000000 ] mass: 15.999400 reduced_to: 42 - symbol: O # 43 coordinates: [ 0.813021510000000, 0.982870490000000, 0.920823980000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 44 coordinates: [ 0.638143090000000, 0.143808800000000, 0.908756740000000 ] mass: 15.999400 reduced_to: 44 - symbol: O # 45 coordinates: [ 0.505665730000000, 0.361856910000000, 0.908756740000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 46 coordinates: [ 0.002648040000000, 0.198188400000000, 0.809162480000000 ] mass: 15.999400 reduced_to: 46 - symbol: O # 47 coordinates: [ 0.166974740000000, 0.487817390000000, 0.748924390000000 ] mass: 15.999400 reduced_to: 47 - symbol: O # 48 coordinates: [ 0.801811600000000, 0.804459640000000, 0.809162480000000 ] mass: 15.999400 reduced_to: 48 - symbol: O # 49 coordinates: [ 0.520661280000000, 0.849095970000000, 0.858119220000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 50 coordinates: [ 0.169848970000000, 0.186978490000000, 0.920823980000000 ] mass: 15.999400 reduced_to: 50 - symbol: O # 51 coordinates: [ 0.328434710000000, 0.479338720000000, 0.858119220000000 ] mass: 15.999400 reduced_to: 51 - symbol: O # 52 coordinates: [ 0.832612690000000, 0.311233790000000, 0.754165940000000 ] mass: 15.999400 reduced_to: 52 - symbol: O # 53 coordinates: [ 0.688766210000000, 0.521378880000000, 0.754165940000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 54 coordinates: [ 0.512182610000000, 0.679157350000000, 0.748924390000000 ] mass: 15.999400 reduced_to: 54 - symbol: O # 55 coordinates: [ 0.195540360000000, 0.997351960000000, 0.809162480000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 56 coordinates: [ 0.478621120000000, 0.167387310000000, 0.754165940000000 ] mass: 15.999400 reduced_to: 56 - symbol: O # 57 coordinates: [ 0.531992750000000, 0.869331560000000, 0.977163650000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 58 coordinates: [ 0.320842650000000, 0.833025260000000, 0.748924390000000 ] mass: 15.999400 reduced_to: 58 - symbol: O # 59 coordinates: [ 0.337338830000000, 0.468007250000000, 0.977163650000000 ] mass: 15.999400 reduced_to: 59 - symbol: O # 60 coordinates: [ 0.130668440000000, 0.662661170000000, 0.977163650000000 ] mass: 15.999400 reduced_to: 60 - symbol: O # 61 coordinates: [ 0.859825790000000, 0.318969420000000, 0.022455580000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 62 coordinates: [ 0.681030580000000, 0.540856390000000, 0.022455580000000 ] mass: 15.999400 reduced_to: 38 - symbol: O # 63 coordinates: [ 0.683796180000000, 0.163484360000000, 0.254157320000000 ] mass: 15.999400 reduced_to: 39 - symbol: O # 64 coordinates: [ 0.459143610000000, 0.140174210000000, 0.022455580000000 ] mass: 15.999400 reduced_to: 40 - symbol: O # 65 coordinates: [ 0.522857870000000, 0.827667610000000, 0.242090080000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 66 coordinates: [ 0.817570690000000, 0.004898620000000, 0.191452560000000 ] mass: 15.999400 reduced_to: 42 - symbol: O # 67 coordinates: [ 0.479688180000000, 0.316203820000000, 0.254157320000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 68 coordinates: [ 0.304809760000000, 0.477142130000000, 0.242090080000000 ] mass: 15.999400 reduced_to: 44 - symbol: O # 69 coordinates: [ 0.172332390000000, 0.695190240000000, 0.242090080000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 70 coordinates: [ 0.669314710000000, 0.531521730000000, 0.142495810000000 ] mass: 15.999400 reduced_to: 46 - symbol: O # 71 coordinates: [ 0.833641410000000, 0.821150720000000, 0.082257730000000 ] mass: 15.999400 reduced_to: 47 - symbol: O # 72 coordinates: [ 0.468478270000000, 0.137792980000000, 0.142495810000000 ] mass: 15.999400 reduced_to: 48 - symbol: O # 73 coordinates: [ 0.187327950000000, 0.182429310000000, 0.191452560000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 74 coordinates: [ 0.836515640000000, 0.520311820000000, 0.254157320000000 ] mass: 15.999400 reduced_to: 50 - symbol: O # 75 coordinates: [ 0.995101380000000, 0.812672050000000, 0.191452560000000 ] mass: 15.999400 reduced_to: 51 - symbol: O # 76 coordinates: [ 0.499279350000000, 0.644567130000000, 0.087499280000000 ] mass: 15.999400 reduced_to: 52 - symbol: O # 77 coordinates: [ 0.355432870000000, 0.854712220000000, 0.087499280000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 78 coordinates: [ 0.178849280000000, 0.012490680000000, 0.082257730000000 ] mass: 15.999400 reduced_to: 54 - symbol: O # 79 coordinates: [ 0.862207020000000, 0.330685290000000, 0.142495810000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 80 coordinates: [ 0.145287780000000, 0.500720650000000, 0.087499280000000 ] mass: 15.999400 reduced_to: 56 - symbol: O # 81 coordinates: [ 0.198659410000000, 0.202664900000000, 0.310496990000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 82 coordinates: [ 0.987509320000000, 0.166358590000000, 0.082257730000000 ] mass: 15.999400 reduced_to: 58 - symbol: O # 83 coordinates: [ 0.004005500000000, 0.801340590000000, 0.310496990000000 ] mass: 15.999400 reduced_to: 59 - symbol: O # 84 coordinates: [ 0.797335100000000, 0.995994500000000, 0.310496990000000 ] mass: 15.999400 reduced_to: 60 - symbol: O # 85 coordinates: [ 0.526492460000000, 0.652302750000000, 0.355788920000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 86 coordinates: [ 0.347697250000000, 0.874189730000000, 0.355788920000000 ] mass: 15.999400 reduced_to: 38 - symbol: O # 87 coordinates: [ 0.350462850000000, 0.496817690000000, 0.587490650000000 ] mass: 15.999400 reduced_to: 39 - symbol: O # 88 coordinates: [ 0.125810270000000, 0.473507540000000, 0.355788920000000 ] mass: 15.999400 reduced_to: 40 - symbol: O # 89 coordinates: [ 0.189524530000000, 0.161000940000000, 0.575423410000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 90 coordinates: [ 0.484237360000000, 0.338231950000000, 0.524785890000000 ] mass: 15.999400 reduced_to: 42 - symbol: O # 91 coordinates: [ 0.146354850000000, 0.649537150000000, 0.587490650000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 92 coordinates: [ 0.971476430000000, 0.810475470000000, 0.575423410000000 ] mass: 15.999400 reduced_to: 44 - symbol: O # 93 coordinates: [ 0.838999060000000, 0.028523570000000, 0.575423410000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 94 coordinates: [ 0.335981370000000, 0.864855060000000, 0.475829150000000 ] mass: 15.999400 reduced_to: 46 - symbol: O # 95 coordinates: [ 0.500308070000000, 0.154484050000000, 0.415591060000000 ] mass: 15.999400 reduced_to: 47 - symbol: O # 96 coordinates: [ 0.135144940000000, 0.471126310000000, 0.475829150000000 ] mass: 15.999400 reduced_to: 48 - symbol: O # 97 coordinates: [ 0.853994610000000, 0.515762640000000, 0.524785890000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 98 coordinates: [ 0.503182310000000, 0.853645150000000, 0.587490650000000 ] mass: 15.999400 reduced_to: 50 - symbol: O # 99 coordinates: [ 0.661768050000000, 0.146005390000000, 0.524785890000000 ] mass: 15.999400 reduced_to: 51 - symbol: O # 100 coordinates: [ 0.165946020000000, 0.977900460000000, 0.420832610000000 ] mass: 15.999400 reduced_to: 52 - symbol: O # 101 coordinates: [ 0.022099540000000, 0.188045550000000, 0.420832610000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 102 coordinates: [ 0.845515950000000, 0.345824010000000, 0.415591060000000 ] mass: 15.999400 reduced_to: 54 - symbol: O # 103 coordinates: [ 0.528873690000000, 0.664018630000000, 0.475829150000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 104 coordinates: [ 0.811954450000000, 0.834053980000000, 0.420832610000000 ] mass: 15.999400 reduced_to: 56 - symbol: O # 105 coordinates: [ 0.865326080000000, 0.535998230000000, 0.643830320000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 106 coordinates: [ 0.654175990000000, 0.499691930000000, 0.415591060000000 ] mass: 15.999400 reduced_to: 58 - symbol: O # 107 coordinates: [ 0.670672170000000, 0.134673920000000, 0.643830320000000 ] mass: 15.999400 reduced_to: 59 - symbol: O # 108 coordinates: [ 0.464001770000000, 0.329327830000000, 0.643830320000000 ] mass: 15.999400 reduced_to: 60displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0049063800000000, -0.0000074400000000, -0.0000348000000000 ] - [ 0.0001947500000000, -0.0002775600000000, -0.0000590800000000 ] - [ 0.0000131700000000, 0.0000167600000000, 0.0000551400000000 ] - [ -0.0000045500000000, -0.0000006300000000, -0.0000598400000000 ] - [ 0.0000129300000000, -0.0000169900000000, 0.0000558800000000 ] - [ 0.0001832600000000, -0.0002354600000000, -0.0000605200000000 ] - [ -0.0127264700000000, 0.0000443800000000, -0.0000932400000000 ] - [ 0.0000091700000000, 0.0000056600000000, -0.0000521900000000 ] - [ 0.0016271700000000, 0.0019187600000000, -0.0000534800000000 ] - [ 0.0008945200000000, 0.0013061200000000, -0.0001781000000000 ] - [ 0.0000359300000000, -0.0000282200000000, 0.0000405100000000 ] - [ 0.0029650700000000, 0.0004333600000000, 0.0002857400000000 ] - [ 0.0000032100000000, 0.0000002100000000, -0.0001747900000000 ] - [ -0.0001532700000000, 0.0000074700000000, 0.0000423100000000 ] - [ -0.0000476200000000, -0.0000271100000000, 0.0002803800000000 ] - [ -0.0080492000000000, 0.0000739800000000, -0.0001410100000000 ] - [ 0.0031279600000000, 0.0005461700000000, 0.0000330300000000 ] - [ 0.0000875800000000, 0.0000569400000000, 0.0002856900000000 ] - [ 0.0009296500000000, 0.0001216800000000, -0.0004458100000000 ] - [ -0.0000960500000000, -0.0003317100000000, -0.0000040800000000 ] - [ -0.0003973800000000, 0.0000452300000000, 0.0000409200000000 ] - [ 0.0011834400000000, 0.0046467000000000, -0.0011182200000000 ] - [ 0.0098831500000000, 0.0005441800000000, 0.0031198200000000 ] - [ 0.0020606500000000, -0.0054439200000000, -0.0025263800000000 ] - [ 0.0004950400000000, 0.0001890800000000, -0.0001297800000000 ] - [ -0.0000989000000000, -0.0005370800000000, -0.0001107800000000 ] - [ -0.0003755700000000, 0.0003410300000000, -0.0001124900000000 ] - [ 0.0001368000000000, 0.0000993200000000, -0.0001987500000000 ] - [ -0.0001532100000000, 0.0000680300000000, -0.0002168900000000 ] - [ 0.0000211800000000, -0.0001617800000000, -0.0002203300000000 ] - [ 0.0031250700000000, -0.0050353100000000, -0.0020607000000000 ] - [ 0.0101900100000000, 0.0003574800000000, 0.0025975500000000 ] - [ 0.0007876500000000, 0.0047801200000000, -0.0009449400000000 ] - [ 0.0002384700000000, -0.0001265500000000, 0.0000865700000000 ] - [ -0.0000008200000000, 0.0003527300000000, 0.0001403100000000 ] - [ 0.0005862600000000, -0.0001683000000000, -0.0008209800000000 ] - [ -0.0016518900000000, 0.0011265600000000, -0.0002600100000000 ] - [ 0.0005599800000000, -0.0013318900000000, -0.0010336500000000 ] - [ -0.0004720100000000, 0.0001292100000000, -0.0001739000000000 ] - [ -0.0033667400000000, -0.0016046200000000, 0.0004941300000000 ] - [ -0.0000089700000000, -0.0008879000000000, 0.0001813100000000 ] - [ 0.0003309100000000, 0.0002214000000000, 0.0003506000000000 ] - [ 0.0003206600000000, 0.0000671100000000, -0.0001901000000000 ] - [ -0.0008008200000000, 0.0003002600000000, 0.0002221200000000 ] - [ 0.0007670000000000, 0.0005820400000000, 0.0001146800000000 ] - [ 0.0004787700000000, -0.0016142200000000, 0.0013687500000000 ] - [ 0.0025651400000000, -0.0001317100000000, 0.0026814400000000 ] - [ -0.0022769900000000, -0.0012910900000000, -0.0017848100000000 ] - [ 0.0010123600000000, -0.0001450300000000, 0.0001566500000000 ] - [ 0.0000733000000000, -0.0001492600000000, 0.0000240000000000 ] - [ 0.0004814600000000, -0.0001253800000000, 0.0002245900000000 ] - [ -0.0013185200000000, -0.0005020200000000, 0.0002851200000000 ] - [ -0.0019260000000000, 0.0013327100000000, 0.0002271600000000 ] - [ 0.0019137800000000, -0.0005512600000000, -0.0069947700000000 ] - [ -0.0015089200000000, -0.0000378400000000, 0.0015234800000000 ] - [ 0.0007220200000000, 0.0025172300000000, -0.0001462400000000 ] - [ 0.0002096400000000, -0.0002281800000000, -0.0001469700000000 ] - [ 0.0033877100000000, 0.0008318900000000, 0.0039014100000000 ] - [ -0.0003503500000000, -0.0000427700000000, -0.0000741500000000 ] - [ 0.0000722100000000, 0.0003328800000000, 0.0000261200000000 ] - [ 0.0000027400000000, -0.0002683900000000, -0.0002447500000000 ] - [ 0.0002273700000000, 0.0001343700000000, -0.0002618300000000 ] - [ -0.0002809500000000, 0.0001218200000000, -0.0001161100000000 ] - [ -0.0002283200000000, 0.0001348600000000, -0.0002504700000000 ] - [ 0.0000898900000000, -0.0009075900000000, 0.0001797400000000 ] - [ -0.0001311000000000, 0.0002711500000000, 0.0002431500000000 ] - [ 0.0002559300000000, 0.0001879500000000, -0.0001146000000000 ] - [ -0.0008128000000000, 0.0003914100000000, 0.0001739000000000 ] - [ 0.0007209900000000, 0.0005225000000000, 0.0001603600000000 ] - [ 0.0004282200000000, -0.0000915200000000, 0.0003720400000000 ] - [ -0.0004091000000000, 0.0003755900000000, -0.0001719500000000 ] - [ -0.0001342000000000, 0.0004197500000000, 0.0003782300000000 ] - [ 0.0002969400000000, -0.0000274800000000, 0.0002345700000000 ] - [ 0.0000242000000000, -0.0003152800000000, -0.0001156800000000 ] - [ -0.0001790000000000, -0.0002404400000000, 0.0002299600000000 ] - [ -0.0005808200000000, -0.0000401400000000, 0.0001226200000000 ] - [ 0.0003323200000000, -0.0004783200000000, 0.0001250200000000 ] - [ -0.0001285000000000, -0.0005427000000000, -0.0001634000000000 ] - [ -0.0002978600000000, -0.0003269200000000, 0.0003795200000000 ] - [ 0.0002542300000000, 0.0005215100000000, 0.0001287000000000 ] - [ 0.0002337600000000, -0.0002281600000000, -0.0000905500000000 ] - [ 0.0005287300000000, 0.0001603800000000, -0.0001643300000000 ] - [ -0.0003446500000000, -0.0000731900000000, -0.0000684200000000 ] - [ 0.0000967800000000, 0.0003030200000000, -0.0000615700000000 ] - [ 0.0000450100000000, -0.0002538300000000, -0.0000206700000000 ] - [ 0.0002623200000000, 0.0000951200000000, -0.0003796500000000 ] - [ 0.0007932400000000, 0.0026746600000000, 0.0035099000000000 ] - [ -0.0002283700000000, 0.0001454400000000, -0.0003837000000000 ] - [ 0.0004618000000000, 0.0011018800000000, -0.0000950200000000 ] - [ -0.0018852400000000, 0.0006796900000000, 0.0015517200000000 ] - [ -0.0023696500000000, -0.0003151000000000, -0.0062120000000000 ] - [ -0.0031138400000000, 0.0020896300000000, 0.0003228900000000 ] - [ 0.0000227600000000, 0.0000681200000000, 0.0002960400000000 ] - [ 0.0008096500000000, 0.0003734800000000, -0.0000428000000000 ] - [ -0.0004659600000000, 0.0004502300000000, -0.0001802100000000 ] - [ 0.0002617000000000, -0.0000996100000000, -0.0001875700000000 ] - [ -0.0023444000000000, -0.0023081400000000, -0.0021235700000000 ] - [ 0.0019272600000000, -0.0024199900000000, 0.0023378700000000 ] - [ -0.0000417900000000, -0.0019434000000000, 0.0012923500000000 ] - [ -0.0006297900000000, -0.0000004200000000, 0.0000725500000000 ] - [ 0.0003544700000000, -0.0006823600000000, 0.0000804400000000 ] - [ -0.0002594100000000, -0.0006846100000000, -0.0002025100000000 ] - [ -0.0007424300000000, -0.0003690000000000, 0.0013363600000000 ] - [ 0.0000304100000000, 0.0003777400000000, 0.0002222800000000 ] - [ -0.0026656700000000, -0.0016508900000000, 0.0004227600000000 ] - [ 0.0002495800000000, 0.0001887300000000, -0.0001199300000000 ] - [ -0.0001505400000000, -0.0014596200000000, -0.0006601900000000 ] - [ -0.0012823200000000, 0.0015826200000000, 0.0000348900000000 ]- atom: 1 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0047937300000000, -0.0000108100000000, -0.0000321900000000 ] - [ -0.0001950400000000, 0.0002756200000000, -0.0000592200000000 ] - [ -0.0000142700000000, -0.0000170000000000, 0.0000551700000000 ] - [ 0.0000040000000000, 0.0000006700000000, -0.0000599300000000 ] - [ -0.0000145400000000, 0.0000168400000000, 0.0000558700000000 ] - [ -0.0001849700000000, 0.0002375000000000, -0.0000606400000000 ] - [ 0.0126937700000000, -0.0000514200000000, -0.0000936800000000 ] - [ -0.0000081800000000, -0.0000023600000000, -0.0000524000000000 ] - [ -0.0016342700000000, -0.0019262600000000, -0.0000538600000000 ] - [ -0.0008955900000000, -0.0012937800000000, -0.0001778700000000 ] - [ -0.0000416300000000, 0.0000327300000000, 0.0000403600000000 ] - [ -0.0029634600000000, -0.0004706200000000, 0.0002860400000000 ] - [ -0.0000074100000000, 0.0000044700000000, -0.0001745200000000 ] - [ 0.0001542300000000, -0.0000057000000000, 0.0000419500000000 ] - [ 0.0000511000000000, 0.0000235400000000, 0.0002807300000000 ] - [ 0.0080721800000000, -0.0000658400000000, -0.0001407900000000 ] - [ -0.0031343400000000, -0.0005056900000000, 0.0000328800000000 ] - [ -0.0000876700000000, -0.0000591100000000, 0.0002860200000000 ] - [ 0.0000869700000000, 0.0002251200000000, 0.0001737700000000 ] - [ -0.0000889600000000, -0.0007195600000000, -0.0002677000000000 ] - [ -0.0003891600000000, 0.0006385700000000, -0.0003144800000000 ] - [ -0.0008832700000000, -0.0044252400000000, 0.0007366500000000 ] - [ -0.0101584100000000, -0.0004252000000000, -0.0034284600000000 ] - [ -0.0019771200000000, 0.0051030600000000, 0.0021661900000000 ] - [ 0.0005087900000000, 0.0001585300000000, -0.0001047300000000 ] - [ -0.0000852000000000, -0.0005060000000000, -0.0001243600000000 ] - [ -0.0004146300000000, 0.0003404100000000, -0.0001231400000000 ] - [ 0.0001335400000000, 0.0000954700000000, -0.0002234200000000 ] - [ -0.0001458600000000, 0.0000627000000000, -0.0002066500000000 ] - [ 0.0000212000000000, -0.0001742600000000, -0.0002060900000000 ] - [ -0.0021497400000000, 0.0053913800000000, 0.0017957300000000 ] - [ -0.0103886000000000, -0.0013981900000000, -0.0029007200000000 ] - [ -0.0015883900000000, -0.0041379500000000, 0.0006967500000000 ] - [ 0.0000314800000000, 0.0003181000000000, -0.0004807400000000 ] - [ -0.0002901600000000, -0.0002268300000000, -0.0005374900000000 ] - [ -0.0005493400000000, -0.0001634000000000, 0.0004236200000000 ] - [ 0.0016378200000000, -0.0016723800000000, -0.0002763800000000 ] - [ -0.0000920600000000, 0.0015729200000000, 0.0005044400000000 ] - [ -0.0000982600000000, 0.0001255200000000, -0.0000526400000000 ] - [ 0.0028914400000000, 0.0018622100000000, -0.0010276900000000 ] - [ 0.0001757500000000, -0.0009016600000000, 0.0001648600000000 ] - [ -0.0006036900000000, 0.0003246700000000, 0.0001445800000000 ] - [ 0.0001874900000000, 0.0002980500000000, -0.0000377400000000 ] - [ -0.0008403100000000, 0.0004588800000000, 0.0001222900000000 ] - [ 0.0006911600000000, 0.0004603300000000, 0.0002306100000000 ] - [ 0.0003792500000000, 0.0014206600000000, -0.0006243100000000 ] - [ -0.0034095300000000, 0.0008631800000000, -0.0029794600000000 ] - [ 0.0020071700000000, 0.0021216300000000, 0.0025126500000000 ] - [ -0.0004088400000000, 0.0001029700000000, 0.0003302800000000 ] - [ -0.0000099900000000, -0.0004753700000000, -0.0002499500000000 ] - [ -0.0008212000000000, -0.0003721500000000, 0.0002580900000000 ] - [ 0.0001379200000000, 0.0004182100000000, -0.0000390700000000 ] - [ 0.0025754800000000, -0.0022775000000000, 0.0000141700000000 ] - [ -0.0019751600000000, -0.0005220000000000, 0.0067585800000000 ] - [ 0.0009103000000000, -0.0006100800000000, -0.0007809600000000 ] - [ -0.0002221900000000, -0.0014643100000000, 0.0003913200000000 ] - [ 0.0002378200000000, -0.0002630400000000, 0.0000157700000000 ] - [ -0.0023789600000000, -0.0004641200000000, -0.0041940900000000 ] - [ -0.0003058200000000, -0.0000939100000000, -0.0000487200000000 ] - [ 0.0001226900000000, 0.0003040800000000, -0.0001621800000000 ] - [ 0.0000021500000000, -0.0002636500000000, -0.0002568900000000 ] - [ 0.0002355300000000, 0.0001297900000000, -0.0002462100000000 ] - [ -0.0002907800000000, 0.0001356900000000, -0.0001147200000000 ] - [ -0.0002326900000000, 0.0001276100000000, -0.0002541600000000 ] - [ 0.0000752800000000, -0.0008862000000000, 0.0001634300000000 ] - [ -0.0001234800000000, 0.0002740200000000, 0.0002323300000000 ] - [ 0.0002521000000000, 0.0001772100000000, -0.0001166600000000 ] - [ -0.0008303500000000, 0.0003710600000000, 0.0001689700000000 ] - [ 0.0007424000000000, 0.0005204200000000, 0.0001816500000000 ] - [ 0.0004321800000000, -0.0000959000000000, 0.0003811200000000 ] - [ -0.0004024600000000, 0.0003837400000000, -0.0001602300000000 ] - [ -0.0001347700000000, 0.0004180000000000, 0.0003742300000000 ] - [ 0.0002977100000000, -0.0000304600000000, 0.0002371000000000 ] - [ 0.0000382900000000, -0.0003090700000000, -0.0001151200000000 ] - [ -0.0001691000000000, -0.0002473900000000, 0.0002393200000000 ] - [ -0.0005833800000000, -0.0000446000000000, 0.0001293500000000 ] - [ 0.0003218000000000, -0.0004800300000000, 0.0001267700000000 ] - [ -0.0001264100000000, -0.0005403300000000, -0.0001700900000000 ] - [ -0.0002940700000000, -0.0003256000000000, 0.0003741800000000 ] - [ 0.0002503100000000, 0.0005258400000000, 0.0001207500000000 ] - [ 0.0002212300000000, -0.0002549100000000, -0.0000568800000000 ] - [ 0.0005283500000000, 0.0001694800000000, -0.0001697400000000 ] - [ -0.0003034500000000, -0.0000778400000000, -0.0000754700000000 ] - [ 0.0000917900000000, 0.0003338900000000, -0.0000882100000000 ] - [ -0.0000537000000000, -0.0002789500000000, -0.0005008900000000 ] - [ 0.0002068200000000, 0.0001598800000000, -0.0001455000000000 ] - [ -0.0013216900000000, -0.0024355100000000, -0.0037565000000000 ] - [ -0.0002277500000000, 0.0001282400000000, -0.0001377900000000 ] - [ -0.0002897500000000, -0.0028989000000000, 0.0004427100000000 ] - [ 0.0016358100000000, -0.0001398100000000, -0.0010710600000000 ] - [ 0.0027929500000000, 0.0006769100000000, 0.0059828400000000 ] - [ 0.0014730600000000, -0.0013387300000000, 0.0000284700000000 ] - [ 0.0014453800000000, 0.0009768000000000, 0.0000523900000000 ] - [ 0.0000429200000000, -0.0005492500000000, 0.0007795200000000 ] - [ -0.0003448100000000, 0.0003108000000000, -0.0001548200000000 ] - [ -0.0005395200000000, 0.0009293700000000, 0.0009269700000000 ] - [ 0.0029456000000000, 0.0022653700000000, 0.0026165600000000 ] - [ -0.0018335500000000, 0.0018233900000000, -0.0025912500000000 ] - [ -0.0003058600000000, 0.0014643500000000, -0.0008236100000000 ] - [ -0.0005366900000000, -0.0000843100000000, 0.0001791700000000 ] - [ 0.0002972300000000, -0.0002716700000000, 0.0001704800000000 ] - [ 0.0000036800000000, -0.0003985300000000, -0.0001323600000000 ] - [ 0.0001635800000000, -0.0002856500000000, -0.0006006800000000 ] - [ 0.0004769000000000, 0.0006715500000000, 0.0000262500000000 ] - [ 0.0031337700000000, 0.0011773100000000, -0.0005549500000000 ] - [ 0.0008103600000000, 0.0001392400000000, -0.0002160800000000 ] - [ -0.0005006300000000, 0.0013267100000000, 0.0005241300000000 ] - [ 0.0014786400000000, -0.0009356400000000, -0.0001719300000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0222729400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002001400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011031800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008988800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011036500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000786800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0212779400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0037758400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0023645200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006285300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0028963800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0095154000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0025940600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0032360400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0035524100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0165944000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0092596800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0032442200000000 ] - [ -0.0011393400000000, -0.0004238200000000, 0.0031706800000000 ] - [ 0.0002026300000000, 0.0011986100000000, 0.0031706800000000 ] - [ 0.0009367100000000, -0.0007747800000000, 0.0031706800000000 ] - [ -0.0038721400000000, -0.0092508000000000, -0.0055944000000000 ] - [ 0.0099475000000000, 0.0012720200000000, -0.0055944000000000 ] - [ -0.0060753500000000, 0.0079787700000000, -0.0055944000000000 ] - [ 0.0001888200000000, -0.0004285600000000, 0.0024233100000000 ] - [ -0.0004655600000000, 0.0000507600000000, 0.0024233100000000 ] - [ 0.0002767400000000, 0.0003778000000000, 0.0024233100000000 ] - [ 0.0007397800000000, 0.0007186800000000, 0.0021278400000000 ] - [ -0.0009922900000000, 0.0002813300000000, 0.0021278400000000 ] - [ 0.0002525100000000, -0.0010000100000000, 0.0021278400000000 ] - [ -0.0058852800000000, 0.0092165000000000, -0.0039634500000000 ] - [ 0.0109243600000000, 0.0004885500000000, -0.0039634500000000 ] - [ -0.0050390900000000, -0.0097050500000000, -0.0039634500000000 ] - [ 0.0010975400000000, -0.0001096000000000, 0.0027734900000000 ] - [ -0.0004538600000000, 0.0010052900000000, 0.0027734900000000 ] - [ -0.0006436800000000, -0.0008957000000000, 0.0027734900000000 ] - [ 0.0028443900000000, -0.0009701900000000, 0.0047950800000000 ] - [ -0.0005819800000000, 0.0029484100000000, 0.0047950800000000 ] - [ -0.0000672700000000, 0.0001291900000000, -0.0009004000000000 ] - [ -0.0022624100000000, -0.0019782200000000, 0.0047950800000000 ] - [ 0.0006154200000000, -0.0003053700000000, -0.0006397200000000 ] - [ 0.0023177700000000, 0.0002907200000000, -0.0025827800000000 ] - [ 0.0001455200000000, -0.0000063400000000, -0.0009004000000000 ] - [ -0.0005721600000000, -0.0003802800000000, -0.0006397200000000 ] - [ -0.0000432500000000, 0.0006856500000000, -0.0006397200000000 ] - [ 0.0007896800000000, 0.0018857700000000, 0.0003685100000000 ] - [ 0.0016272000000000, 0.0051313800000000, 0.0012369900000000 ] - [ -0.0020279600000000, -0.0002590000000000, 0.0003685100000000 ] - [ -0.0009071100000000, -0.0021526000000000, -0.0025827800000000 ] - [ -0.0000782500000000, -0.0001228500000000, -0.0009004000000000 ] - [ -0.0014106500000000, 0.0018618800000000, -0.0025827800000000 ] - [ 0.0023669000000000, 0.0012170500000000, 0.0022344800000000 ] - [ -0.0022374500000000, 0.0014412700000000, 0.0022344800000000 ] - [ -0.0052575000000000, -0.0011564900000000, 0.0012369900000000 ] - [ 0.0012382800000000, -0.0016267600000000, 0.0003685100000000 ] - [ -0.0001294500000000, -0.0026583200000000, 0.0022344800000000 ] - [ 0.0004956300000000, 0.0000749000000000, -0.0017782200000000 ] - [ 0.0036303000000000, -0.0039748900000000, 0.0012369900000000 ] - [ -0.0001829500000000, -0.0004666800000000, -0.0017782200000000 ] - [ -0.0003126800000000, 0.0003917800000000, -0.0017782200000000 ] - [ -0.0006653900000000, -0.0001984400000000, -0.0017501500000000 ] - [ 0.0005045500000000, -0.0004770200000000, -0.0017501500000000 ] - [ -0.0004001900000000, 0.0004204900000000, -0.0010046200000000 ] - [ 0.0001608400000000, 0.0006754600000000, -0.0017501500000000 ] - [ 0.0003007100000000, -0.0005321500000000, -0.0007685900000000 ] - [ 0.0009413300000000, 0.0003402800000000, -0.0013281600000000 ] - [ 0.0005642500000000, 0.0001363300000000, -0.0010046200000000 ] - [ -0.0006112100000000, 0.0000056600000000, -0.0007685900000000 ] - [ 0.0003105000000000, 0.0005265000000000, -0.0007685900000000 ] - [ 0.0000786900000000, 0.0003447400000000, -0.0009615800000000 ] - [ -0.0007644500000000, -0.0003491800000000, -0.0013218500000000 ] - [ -0.0003379000000000, -0.0001042300000000, -0.0009615800000000 ] - [ -0.0001759700000000, -0.0009853500000000, -0.0013281600000000 ] - [ -0.0001640600000000, -0.0005568200000000, -0.0010046200000000 ] - [ -0.0007653600000000, 0.0006450700000000, -0.0013281600000000 ] - [ -0.0010533200000000, -0.0001161400000000, -0.0007847000000000 ] - [ 0.0006272400000000, -0.0008541400000000, -0.0007847000000000 ] - [ 0.0006846300000000, -0.0004874400000000, -0.0013218500000000 ] - [ 0.0002592100000000, -0.0002405200000000, -0.0009615800000000 ] - [ 0.0004260800000000, 0.0009702800000000, -0.0007847000000000 ] - [ 0.0005841200000000, 0.0002164800000000, -0.0015850400000000 ] - [ 0.0000798300000000, 0.0008366300000000, -0.0013218500000000 ] - [ -0.0001045800000000, -0.0006141000000000, -0.0015850400000000 ] - [ -0.0004795400000000, 0.0003976200000000, -0.0015850400000000 ] - [ -0.0005871900000000, -0.0002252500000000, -0.0019379100000000 ] - [ 0.0004886700000000, -0.0003959000000000, -0.0019379100000000 ] - [ 0.0044830300000000, -0.0064469500000000, -0.0018475100000000 ] - [ 0.0000985300000000, 0.0006211500000000, -0.0019379100000000 ] - [ -0.0002254700000000, -0.0039512000000000, 0.0019333700000000 ] - [ 0.0018209400000000, -0.0011195500000000, -0.0003493200000000 ] - [ -0.0078247400000000, -0.0006589400000000, -0.0018475100000000 ] - [ -0.0033091100000000, 0.0021708600000000, 0.0019333700000000 ] - [ 0.0035345800000000, 0.0017803400000000, 0.0019333700000000 ] - [ -0.0003174900000000, 0.0010841200000000, -0.0019481300000000 ] - [ -0.0006877500000000, 0.0000640500000000, -0.0011900700000000 ] - [ -0.0007801300000000, -0.0008170200000000, -0.0019481300000000 ] - [ -0.0018800300000000, -0.0010172100000000, -0.0003493200000000 ] - [ 0.0033417100000000, 0.0071058900000000, -0.0018475100000000 ] - [ 0.0000590900000000, 0.0021367500000000, -0.0003493200000000 ] - [ -0.0012973200000000, 0.0000165700000000, -0.0007134200000000 ] - [ 0.0006343100000000, -0.0011317900000000, -0.0007134200000000 ] - [ 0.0002884000000000, -0.0006276300000000, -0.0011900700000000 ] - [ 0.0010976200000000, -0.0002671100000000, -0.0019481300000000 ] - [ 0.0006630100000000, 0.0011152200000000, -0.0007134200000000 ] - [ -0.0020884500000000, -0.0021357400000000, 0.0045193900000000 ] - [ 0.0003993500000000, 0.0005635800000000, -0.0011900700000000 ] - [ -0.0008053800000000, 0.0028765300000000, 0.0045193900000000 ] - [ 0.0028938400000000, -0.0007407800000000, 0.0045193900000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0220144500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000765600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009922800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010212000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009906700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001973600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0210918300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0038699000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0024520000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010012100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0028170700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100709700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0029496000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0031539500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0029968200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0171373000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0093652700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0026822400000000 ] - [ 0.0021401900000000, 0.0007753500000000, -0.0034530000000000 ] - [ -0.0003986200000000, -0.0022411300000000, -0.0034530000000000 ] - [ -0.0017415600000000, 0.0014657800000000, -0.0034530000000000 ] - [ 0.0041497200000000, 0.0094655000000000, 0.0051871800000000 ] - [ -0.0102722200000000, -0.0011389900000000, 0.0051871800000000 ] - [ 0.0061225100000000, -0.0083265100000000, 0.0051871800000000 ] - [ 0.0008136200000000, 0.0007818100000000, -0.0026733300000000 ] - [ 0.0002702500000000, -0.0010955200000000, -0.0026733300000000 ] - [ -0.0010838800000000, 0.0003137200000000, -0.0026733300000000 ] - [ -0.0004661400000000, -0.0005141500000000, -0.0025472200000000 ] - [ 0.0006783300000000, -0.0001466100000000, -0.0025472200000000 ] - [ -0.0002122000000000, 0.0006607600000000, -0.0025472200000000 ] - [ 0.0068890500000000, -0.0088809400000000, 0.0037385600000000 ] - [ -0.0111356500000000, -0.0015256200000000, 0.0037385600000000 ] - [ 0.0042466000000000, 0.0104065600000000, 0.0037385600000000 ] - [ -0.0008308600000000, 0.0003091000000000, -0.0031702500000000 ] - [ 0.0001477400000000, -0.0008741000000000, -0.0031702500000000 ] - [ 0.0006831200000000, 0.0005650000000000, -0.0031702500000000 ] - [ -0.0028512500000000, 0.0004381500000000, -0.0053249900000000 ] - [ 0.0010461800000000, -0.0026883300000000, -0.0053249900000000 ] - [ -0.0005002200000000, 0.0001244800000000, 0.0006781800000000 ] - [ 0.0018050800000000, 0.0022501800000000, -0.0053249900000000 ] - [ -0.0004430000000000, -0.0014839200000000, 0.0009831500000000 ] - [ -0.0025653800000000, 0.0002513400000000, 0.0030620500000000 ] - [ 0.0003579200000000, 0.0003709600000000, 0.0006781800000000 ] - [ -0.0010636100000000, 0.0011256100000000, 0.0009831500000000 ] - [ 0.0015066100000000, 0.0003583100000000, 0.0009831500000000 ] - [ 0.0000650800000000, -0.0020650400000000, 0.0003759600000000 ] - [ -0.0024848700000000, -0.0044578400000000, -0.0013874000000000 ] - [ 0.0017558400000000, 0.0010888800000000, 0.0003759600000000 ] - [ 0.0015003600000000, 0.0020960100000000, 0.0030620500000000 ] - [ 0.0001423000000000, -0.0004954500000000, 0.0006781800000000 ] - [ 0.0010650200000000, -0.0023473600000000, 0.0030620500000000 ] - [ -0.0035062000000000, -0.0013003800000000, -0.0019843400000000 ] - [ 0.0028792600000000, -0.0023862700000000, -0.0019843400000000 ] - [ 0.0051030400000000, 0.0000769600000000, -0.0013874000000000 ] - [ -0.0018209200000000, 0.0009761600000000, 0.0003759600000000 ] - [ 0.0006269400000000, 0.0036866400000000, -0.0019843400000000 ] - [ -0.0000465800000000, -0.0005703200000000, 0.0016630000000000 ] - [ -0.0026181700000000, 0.0043808900000000, -0.0013874000000000 ] - [ -0.0004706200000000, 0.0003255000000000, 0.0016630000000000 ] - [ 0.0005172000000000, 0.0002448200000000, 0.0016630000000000 ] - [ 0.0006689500000000, -0.0003353100000000, 0.0012311200000000 ] - [ -0.0000440900000000, 0.0007469900000000, 0.0012311200000000 ] - [ -0.0001676200000000, -0.0001658000000000, 0.0007757700000000 ] - [ -0.0006248600000000, -0.0004116800000000, 0.0012311200000000 ] - [ -0.0001306900000000, -0.0012606800000000, 0.0011084100000000 ] - [ -0.0011808900000000, 0.0002035900000000, 0.0017939500000000 ] - [ -0.0000597800000000, 0.0002280600000000, 0.0007757700000000 ] - [ -0.0010264400000000, 0.0007435300000000, 0.0011084100000000 ] - [ 0.0011571300000000, 0.0005171600000000, 0.0011084100000000 ] - [ 0.0007784800000000, -0.0005297500000000, 0.0017174900000000 ] - [ -0.0000447300000000, 0.0011129200000000, 0.0009967200000000 ] - [ 0.0000695400000000, 0.0009390600000000, 0.0017174900000000 ] - [ 0.0007667600000000, 0.0009208800000000, 0.0017939500000000 ] - [ 0.0002274000000000, -0.0000622600000000, 0.0007757700000000 ] - [ 0.0004141300000000, -0.0011244800000000, 0.0017939500000000 ] - [ -0.0000948000000000, 0.0000297000000000, 0.0010330900000000 ] - [ 0.0000216800000000, -0.0000969500000000, 0.0010330900000000 ] - [ -0.0009414500000000, -0.0005951900000000, 0.0009967200000000 ] - [ -0.0008480200000000, -0.0004093100000000, 0.0017174900000000 ] - [ 0.0000731200000000, 0.0000672500000000, 0.0010330900000000 ] - [ -0.0001297100000000, -0.0007043600000000, 0.0014547300000000 ] - [ 0.0009861800000000, -0.0005177300000000, 0.0009967200000000 ] - [ -0.0005451400000000, 0.0004645100000000, 0.0014547300000000 ] - [ 0.0006748500000000, 0.0002398500000000, 0.0014547300000000 ] - [ 0.0005808800000000, -0.0003097000000000, 0.0014067700000000 ] - [ -0.0000222300000000, 0.0006579000000000, 0.0014067700000000 ] - [ -0.0050444500000000, 0.0066903100000000, 0.0015469300000000 ] - [ -0.0005586400000000, -0.0003482000000000, 0.0014067700000000 ] - [ 0.0004018500000000, 0.0021764900000000, -0.0015992400000000 ] - [ -0.0020643100000000, 0.0016665700000000, 0.0008154900000000 ] - [ 0.0083162100000000, 0.0010234600000000, 0.0015469300000000 ] - [ 0.0016839800000000, -0.0014362600000000, -0.0015992400000000 ] - [ -0.0020858200000000, -0.0007402400000000, -0.0015992400000000 ] - [ 0.0011710200000000, -0.0012600300000000, 0.0026911900000000 ] - [ -0.0001207800000000, 0.0007015800000000, 0.0008630600000000 ] - [ 0.0005057100000000, 0.0016441500000000, 0.0026911900000000 ] - [ 0.0024754500000000, 0.0009544600000000, 0.0008154900000000 ] - [ -0.0032717600000000, -0.0077137800000000, 0.0015469300000000 ] - [ -0.0004111300000000, -0.0026210300000000, 0.0008154900000000 ] - [ 0.0001526600000000, -0.0001026700000000, 0.0009608500000000 ] - [ 0.0000125800000000, 0.0001835400000000, 0.0009608500000000 ] - [ -0.0005471900000000, -0.0004553900000000, 0.0008630600000000 ] - [ -0.0016767300000000, -0.0003841200000000, 0.0026911900000000 ] - [ -0.0001652400000000, -0.0000808700000000, 0.0009608500000000 ] - [ 0.0025459000000000, 0.0016515200000000, -0.0046684800000000 ] - [ 0.0006679800000000, -0.0002461900000000, 0.0008630600000000 ] - [ 0.0001573100000000, -0.0030305700000000, -0.0046684800000000 ] - [ -0.0027032000000000, 0.0013790500000000, -0.0046684800000000 ]- atom: 2 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0001945800000000, 0.0002773200000000, 0.0000536600000000 ] - [ -0.0049730900000000, -0.0000054800000000, -0.0000741600000000 ] - [ 0.0001831400000000, 0.0002354800000000, 0.0000560100000000 ] - [ 0.0000258300000000, 0.0000012900000000, -0.0000598800000000 ] - [ -0.0000051000000000, 0.0000005600000000, 0.0000557500000000 ] - [ 0.0000258100000000, -0.0000012600000000, -0.0000597300000000 ] - [ 0.0039291000000000, -0.0005765400000000, -0.0000556000000000 ] - [ 0.0000963100000000, -0.0001087800000000, -0.0000516600000000 ] - [ -0.0002320600000000, 0.0000593500000000, -0.0000517000000000 ] - [ 0.0031422900000000, -0.0004445900000000, -0.0001739500000000 ] - [ -0.0094131500000000, -0.0000108000000000, 0.0000028900000000 ] - [ -0.0094258700000000, -0.0000816600000000, 0.0003163100000000 ] - [ -0.0001626000000000, 0.0000215600000000, -0.0001743400000000 ] - [ 0.0000084900000000, -0.0000009800000000, 0.0000421300000000 ] - [ 0.0010711500000000, -0.0013333500000000, 0.0002814900000000 ] - [ 0.0000591900000000, -0.0000597000000000, -0.0001718000000000 ] - [ 0.0010743300000000, -0.0014575400000000, 0.0000387100000000 ] - [ 0.0000053300000000, -0.0000005500000000, 0.0002862300000000 ] - [ 0.0039714400000000, 0.0064189500000000, 0.0009718700000000 ] - [ 0.0012213800000000, -0.0052316300000000, 0.0006912900000000 ] - [ 0.0115022000000000, -0.0007531000000000, -0.0020144600000000 ] - [ 0.0118170400000000, 0.0001690200000000, -0.0025941600000000 ] - [ 0.0017309500000000, -0.0047569700000000, 0.0005900000000000 ] - [ 0.0025816500000000, 0.0059629700000000, 0.0013470400000000 ] - [ 0.0005037200000000, 0.0001556200000000, -0.0001133800000000 ] - [ -0.0000718000000000, -0.0005164200000000, -0.0001253300000000 ] - [ -0.0004048800000000, 0.0003513900000000, -0.0001148500000000 ] - [ 0.0002302600000000, -0.0001861200000000, -0.0006028000000000 ] - [ -0.0000778800000000, 0.0004765900000000, -0.0006061500000000 ] - [ 0.0007056000000000, -0.0000851400000000, 0.0005735800000000 ] - [ 0.0011047800000000, 0.0001895800000000, 0.0007054400000000 ] - [ -0.0000340700000000, -0.0001529100000000, -0.0005131300000000 ] - [ -0.0003612500000000, 0.0000579500000000, -0.0005483300000000 ] - [ 0.0001249500000000, 0.0001041800000000, -0.0001987000000000 ] - [ -0.0001392300000000, 0.0000664600000000, -0.0002060400000000 ] - [ 0.0000137900000000, -0.0001753000000000, -0.0001890300000000 ] - [ -0.0016063600000000, -0.0008215000000000, -0.0016211800000000 ] - [ -0.0024116500000000, 0.0018904900000000, 0.0020887200000000 ] - [ 0.0001239600000000, -0.0022241000000000, 0.0002633900000000 ] - [ -0.0003461900000000, 0.0016547800000000, -0.0012476300000000 ] - [ 0.0017900400000000, -0.0031634400000000, -0.0029350100000000 ] - [ -0.0024172900000000, -0.0007621300000000, 0.0010427800000000 ] - [ -0.0004985800000000, 0.0006904200000000, -0.0002753700000000 ] - [ 0.0017992600000000, 0.0019700200000000, -0.0017891200000000 ] - [ -0.0005800300000000, 0.0009859000000000, 0.0053042500000000 ] - [ -0.0026600900000000, 0.0014183700000000, -0.0004862300000000 ] - [ -0.0031339200000000, -0.0020491800000000, -0.0008389500000000 ] - [ -0.0000368500000000, 0.0018753600000000, 0.0010989200000000 ] - [ 0.0004407500000000, 0.0014028200000000, 0.0009081400000000 ] - [ -0.0026234100000000, -0.0022460600000000, -0.0003378300000000 ] - [ -0.0033727100000000, 0.0020505800000000, -0.0012382400000000 ] - [ -0.0024499700000000, 0.0002699000000000, 0.0056567800000000 ] - [ 0.0026338700000000, 0.0015418300000000, -0.0021011500000000 ] - [ -0.0013814000000000, -0.0000662000000000, -0.0000137300000000 ] - [ -0.0018308600000000, -0.0015990600000000, 0.0005156300000000 ] - [ 0.0018817800000000, -0.0020276600000000, -0.0032275700000000 ] - [ 0.0001825900000000, 0.0012343400000000, -0.0010662000000000 ] - [ 0.0010556700000000, -0.0020977100000000, 0.0003603900000000 ] - [ -0.0029955400000000, 0.0017956800000000, 0.0021817300000000 ] - [ -0.0015788200000000, -0.0002757500000000, -0.0013121000000000 ] - [ -0.0005402300000000, -0.0001976600000000, -0.0013950200000000 ] - [ 0.0007399700000000, 0.0006405400000000, 0.0003171500000000 ] - [ -0.0002797500000000, 0.0001413200000000, -0.0001248100000000 ] - [ 0.0001325900000000, -0.0004922100000000, 0.0003191700000000 ] - [ 0.0000821300000000, -0.0008909000000000, 0.0001739300000000 ] - [ -0.0001414800000000, 0.0002837100000000, 0.0002417400000000 ] - [ 0.0002467100000000, 0.0001801200000000, -0.0001037000000000 ] - [ -0.0008297300000000, 0.0003840300000000, 0.0001739400000000 ] - [ 0.0007301000000000, 0.0005190000000000, 0.0001653200000000 ] - [ 0.0004567000000000, -0.0001271300000000, 0.0005223500000000 ] - [ -0.0003679500000000, 0.0006279700000000, -0.0000892200000000 ] - [ -0.0001133500000000, 0.0003884700000000, 0.0004869600000000 ] - [ 0.0002839400000000, -0.0000289500000000, 0.0002367000000000 ] - [ 0.0000436100000000, -0.0003188900000000, -0.0001187500000000 ] - [ -0.0001779900000000, -0.0002380400000000, 0.0002301500000000 ] - [ -0.0005471200000000, 0.0000841700000000, 0.0002020800000000 ] - [ 0.0003930700000000, -0.0008026500000000, 0.0000600300000000 ] - [ -0.0001729500000000, -0.0006116000000000, -0.0000937800000000 ] - [ -0.0002687900000000, -0.0003538800000000, 0.0001203300000000 ] - [ -0.0000863600000000, 0.0003991700000000, 0.0001144000000000 ] - [ 0.0002232200000000, -0.0002452500000000, -0.0000692200000000 ] - [ 0.0002494100000000, 0.0003254400000000, -0.0003177900000000 ] - [ -0.0003229000000000, -0.0000789800000000, -0.0000746700000000 ] - [ 0.0000920500000000, 0.0003198400000000, -0.0000771300000000 ] - [ -0.0000045000000000, -0.0002659300000000, -0.0002628600000000 ] - [ 0.0002350100000000, 0.0001259600000000, -0.0002633400000000 ] - [ -0.0005427400000000, 0.0002847900000000, -0.0002333300000000 ] - [ -0.0002297800000000, 0.0001359600000000, -0.0002596700000000 ] - [ -0.0002433900000000, -0.0010055700000000, 0.0001409300000000 ] - [ -0.0000137800000000, 0.0002559400000000, -0.0000600800000000 ] - [ 0.0002459000000000, 0.0001124200000000, -0.0000616100000000 ] - [ -0.0007686000000000, 0.0000753400000000, 0.0001167300000000 ] - [ 0.0007537100000000, 0.0006447500000000, 0.0002575700000000 ] - [ 0.0004370600000000, -0.0000983300000000, 0.0003819300000000 ] - [ -0.0003891300000000, 0.0003707800000000, -0.0001670900000000 ] - [ -0.0001542300000000, 0.0004060800000000, 0.0003621600000000 ] - [ 0.0003279200000000, -0.0000298100000000, 0.0003380200000000 ] - [ 0.0000934300000000, -0.0000523000000000, -0.0000531500000000 ] - [ -0.0001111900000000, -0.0003332000000000, 0.0004397600000000 ] - [ -0.0005803200000000, -0.0000445900000000, 0.0001228900000000 ] - [ 0.0003212900000000, -0.0004767800000000, 0.0001280200000000 ] - [ -0.0001245100000000, -0.0005460800000000, -0.0001637100000000 ] - [ -0.0002911900000000, -0.0003144000000000, 0.0003619400000000 ] - [ 0.0002548900000000, 0.0005303000000000, 0.0001236700000000 ] - [ 0.0006551000000000, -0.0008256900000000, 0.0004171200000000 ] - [ 0.0005435200000000, 0.0001680900000000, -0.0001738500000000 ] - [ 0.0001973800000000, 0.0005144400000000, 0.0006059500000000 ] - [ -0.0004432900000000, 0.0004030100000000, -0.0012418100000000 ]- atom: 2 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0001949800000000, -0.0002758400000000, 0.0000536900000000 ] - [ 0.0049976800000000, -0.0000091800000000, -0.0000775200000000 ] - [ -0.0001849400000000, -0.0002374800000000, 0.0000559500000000 ] - [ -0.0000265200000000, -0.0000011700000000, -0.0000599700000000 ] - [ 0.0000035800000000, -0.0000006700000000, 0.0000557600000000 ] - [ -0.0000265400000000, 0.0000013300000000, -0.0000595800000000 ] - [ -0.0039227800000000, 0.0006194700000000, -0.0000555500000000 ] - [ -0.0000954200000000, 0.0001123000000000, -0.0000517300000000 ] - [ 0.0002288100000000, -0.0000545800000000, -0.0000520600000000 ] - [ -0.0031482600000000, 0.0004146200000000, -0.0001744800000000 ] - [ 0.0094291500000000, 0.0000063100000000, 0.0000027000000000 ] - [ 0.0094029000000000, 0.0000874600000000, 0.0003159000000000 ] - [ 0.0001587900000000, -0.0000171300000000, -0.0001746600000000 ] - [ -0.0000079900000000, 0.0000026400000000, 0.0000422500000000 ] - [ -0.0010696900000000, 0.0013370800000000, 0.0002803800000000 ] - [ -0.0000579800000000, 0.0000617400000000, -0.0001723100000000 ] - [ -0.0010751700000000, 0.0014534500000000, 0.0000386800000000 ] - [ -0.0000052200000000, -0.0000015300000000, 0.0002851200000000 ] - [ -0.0029854200000000, -0.0060848000000000, -0.0012136900000000 ] - [ -0.0014343900000000, 0.0042151700000000, -0.0009463400000000 ] - [ -0.0123155800000000, 0.0014455200000000, 0.0018050900000000 ] - [ -0.0115152600000000, 0.0000323800000000, 0.0021256500000000 ] - [ -0.0019998800000000, 0.0048501700000000, -0.0010024600000000 ] - [ -0.0025086600000000, -0.0062798200000000, -0.0017794100000000 ] - [ 0.0005018300000000, 0.0001922000000000, -0.0001228900000000 ] - [ -0.0001132500000000, -0.0005283400000000, -0.0001115500000000 ] - [ -0.0003862800000000, 0.0003316200000000, -0.0001225400000000 ] - [ 0.0000406900000000, 0.0003836800000000, 0.0001829700000000 ] - [ -0.0002228400000000, -0.0003460500000000, 0.0001832100000000 ] - [ -0.0006647100000000, -0.0002530300000000, -0.0010013300000000 ] - [ -0.0000954700000000, 0.0001509700000000, -0.0009404100000000 ] - [ -0.0001459700000000, -0.0008874800000000, 0.0002746700000000 ] - [ -0.0004159300000000, 0.0006158200000000, 0.0003066200000000 ] - [ 0.0001456000000000, 0.0000894800000000, -0.0001948000000000 ] - [ -0.0001534900000000, 0.0000602900000000, -0.0001891800000000 ] - [ 0.0000269300000000, -0.0001581200000000, -0.0002093000000000 ] - [ 0.0015885200000000, 0.0002832300000000, 0.0010993900000000 ] - [ 0.0028801500000000, -0.0016322700000000, -0.0026014900000000 ] - [ -0.0006920800000000, 0.0024863000000000, -0.0004924900000000 ] - [ -0.0001098400000000, -0.0013693900000000, 0.0007207600000000 ] - [ -0.0015654000000000, 0.0014162600000000, 0.0033158000000000 ] - [ 0.0021556200000000, 0.0013000400000000, -0.0005646100000000 ] - [ 0.0010225200000000, -0.0003250500000000, 0.0000415200000000 ] - [ -0.0034088000000000, -0.0012384200000000, 0.0021530300000000 ] - [ 0.0018835700000000, 0.0000677000000000, -0.0048860000000000 ] - [ 0.0035025400000000, -0.0015900100000000, 0.0012401700000000 ] - [ 0.0023190600000000, 0.0027998600000000, 0.0005108600000000 ] - [ -0.0002377600000000, -0.0010291800000000, -0.0003522700000000 ] - [ 0.0001559700000000, -0.0014673000000000, -0.0004335000000000 ] - [ 0.0026869200000000, 0.0016231600000000, 0.0001024700000000 ] - [ 0.0030446500000000, -0.0025630000000000, 0.0017139300000000 ] - [ 0.0014148500000000, -0.0003622200000000, -0.0054533400000000 ] - [ -0.0020216000000000, -0.0024624800000000, 0.0023312900000000 ] - [ 0.0011120600000000, -0.0010179700000000, -0.0003130200000000 ] - [ 0.0012378900000000, 0.0009556700000000, 0.0002420600000000 ] - [ -0.0014328300000000, 0.0030359300000000, 0.0034501400000000 ] - [ 0.0002649000000000, -0.0017410200000000, 0.0009409600000000 ] - [ 0.0000039100000000, 0.0024149500000000, -0.0006919600000000 ] - [ 0.0023384300000000, -0.0019354100000000, -0.0023135500000000 ] - [ 0.0017855800000000, 0.0009190900000000, 0.0011787500000000 ] - [ 0.0005487600000000, -0.0003336500000000, 0.0008962900000000 ] - [ -0.0002782300000000, -0.0003786000000000, -0.0008302500000000 ] - [ -0.0002925000000000, 0.0001169900000000, -0.0001062400000000 ] - [ -0.0005961300000000, 0.0007562300000000, -0.0008257700000000 ] - [ 0.0000825000000000, -0.0009036300000000, 0.0001688800000000 ] - [ -0.0001144900000000, 0.0002614300000000, 0.0002347800000000 ] - [ 0.0002622900000000, 0.0001851900000000, -0.0001277500000000 ] - [ -0.0008138000000000, 0.0003791600000000, 0.0001684800000000 ] - [ 0.0007342000000000, 0.0005239500000000, 0.0001761700000000 ] - [ 0.0004036800000000, -0.0000600600000000, 0.0002304800000000 ] - [ -0.0004436000000000, 0.0001300600000000, -0.0002446300000000 ] - [ -0.0001557500000000, 0.0004496100000000, 0.0002660200000000 ] - [ 0.0003115300000000, -0.0000275200000000, 0.0002361300000000 ] - [ 0.0000183100000000, -0.0003062800000000, -0.0001124400000000 ] - [ -0.0001693300000000, -0.0002512000000000, 0.0002404100000000 ] - [ -0.0006183700000000, -0.0001699200000000, 0.0000492800000000 ] - [ 0.0002616000000000, -0.0001561200000000, 0.0001918600000000 ] - [ -0.0000822100000000, -0.0004710500000000, -0.0002408700000000 ] - [ -0.0003231300000000, -0.0002985700000000, 0.0006343700000000 ] - [ 0.0005926100000000, 0.0006500000000000, 0.0001347100000000 ] - [ 0.0002317900000000, -0.0002381500000000, -0.0000778100000000 ] - [ 0.0008082700000000, 0.0000041900000000, -0.0000174000000000 ] - [ -0.0003255300000000, -0.0000718200000000, -0.0000687800000000 ] - [ 0.0000967900000000, 0.0003172600000000, -0.0000721400000000 ] - [ -0.0000045900000000, -0.0002669000000000, -0.0002595800000000 ] - [ 0.0002345700000000, 0.0001285400000000, -0.0002635800000000 ] - [ -0.0000328000000000, -0.0000211800000000, 0.0000007200000000 ] - [ -0.0002260900000000, 0.0001383200000000, -0.0002640500000000 ] - [ 0.0004116900000000, -0.0007846200000000, 0.0002035400000000 ] - [ -0.0002477600000000, 0.0002894200000000, 0.0005426100000000 ] - [ 0.0002569200000000, 0.0002520800000000, -0.0001692300000000 ] - [ -0.0008717300000000, 0.0006789700000000, 0.0002255900000000 ] - [ 0.0007006800000000, 0.0004004800000000, 0.0000862900000000 ] - [ 0.0004179800000000, -0.0000767500000000, 0.0003547300000000 ] - [ -0.0004214200000000, 0.0003891700000000, -0.0001693800000000 ] - [ -0.0001219200000000, 0.0004218900000000, 0.0003746700000000 ] - [ 0.0002705700000000, -0.0000206000000000, 0.0001410400000000 ] - [ -0.0000334000000000, -0.0005705100000000, -0.0001787100000000 ] - [ -0.0002344900000000, -0.0001611000000000, 0.0000365000000000 ] - [ -0.0005870000000000, -0.0000403500000000, 0.0001277800000000 ] - [ 0.0003314200000000, -0.0004789600000000, 0.0001219000000000 ] - [ -0.0001309300000000, -0.0005375400000000, -0.0001729600000000 ] - [ -0.0002915100000000, -0.0003396000000000, 0.0003784400000000 ] - [ 0.0002516600000000, 0.0005197400000000, 0.0001241400000000 ] - [ -0.0001998100000000, 0.0003386100000000, -0.0005624700000000 ] - [ 0.0005145300000000, 0.0001601100000000, -0.0001637000000000 ] - [ -0.0008486700000000, -0.0006572400000000, -0.0007409500000000 ] - [ 0.0006306400000000, 0.0002336200000000, 0.0010870800000000 ]- atom: 2 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0000802100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0275276300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001939600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007518500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010173800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007522800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0125406300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0031348000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0034292200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0090168000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0195918000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0198661200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0023688800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0027242400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015189300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0020446200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014488000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0029892800000000 ] - [ 0.0072531800000000, 0.0093208200000000, -0.0044546000000000 ] - [ 0.0044454700000000, -0.0109418500000000, -0.0044546000000000 ] - [ -0.0116986600000000, 0.0016210300000000, -0.0044546000000000 ] - [ -0.0111334600000000, -0.0004193400000000, -0.0041363100000000 ] - [ 0.0059298900000000, -0.0094321900000000, -0.0041363100000000 ] - [ 0.0052035700000000, 0.0098515300000000, -0.0041363100000000 ] - [ 0.0002777100000000, -0.0003531400000000, 0.0020925900000000 ] - [ -0.0004446800000000, -0.0000639300000000, 0.0020925900000000 ] - [ 0.0001669800000000, 0.0004170700000000, 0.0020925900000000 ] - [ 0.0001831900000000, 0.0012933200000000, 0.0024042900000000 ] - [ -0.0012116400000000, -0.0004880100000000, 0.0024042900000000 ] - [ 0.0010284500000000, -0.0008053100000000, 0.0024042900000000 ] - [ 0.0010725600000000, -0.0004262400000000, 0.0027523100000000 ] - [ -0.0009054200000000, -0.0007157400000000, 0.0027523100000000 ] - [ -0.0001671400000000, 0.0011419800000000, 0.0027523100000000 ] - [ 0.0006259300000000, 0.0007008200000000, 0.0018423500000000 ] - [ -0.0009198900000000, 0.0001916600000000, 0.0018423500000000 ] - [ 0.0002939700000000, -0.0008924800000000, 0.0018423500000000 ] - [ -0.0015100500000000, -0.0017715800000000, -0.0007051000000000 ] - [ 0.0022892600000000, -0.0004219600000000, -0.0007051000000000 ] - [ -0.0000149300000000, -0.0029841500000000, 0.0016325200000000 ] - [ -0.0007792000000000, 0.0021935300000000, -0.0007051000000000 ] - [ -0.0038672700000000, -0.0063218600000000, 0.0009616000000000 ] - [ -0.0044176800000000, -0.0008051400000000, 0.0052272400000000 ] - [ -0.0025768800000000, 0.0015050000000000, 0.0016325200000000 ] - [ -0.0035412600000000, 0.0065100800000000, 0.0009616000000000 ] - [ 0.0074085300000000, -0.0001882200000000, 0.0009616000000000 ] - [ 0.0026668400000000, -0.0017958300000000, 0.0046816800000000 ] - [ 0.0026053600000000, 0.0036708800000000, 0.0026070500000000 ] - [ 0.0002218100000000, 0.0032074700000000, 0.0046816800000000 ] - [ 0.0015115700000000, 0.0042283900000000, 0.0052272400000000 ] - [ 0.0025918100000000, 0.0014791500000000, 0.0016325200000000 ] - [ 0.0029061100000000, -0.0034232500000000, 0.0052272400000000 ] - [ 0.0069846100000000, -0.0005070600000000, -0.0000560500000000 ] - [ -0.0030531800000000, 0.0063023800000000, -0.0000560500000000 ] - [ -0.0044817500000000, 0.0004208700000000, 0.0026070500000000 ] - [ -0.0028886600000000, -0.0014116400000000, 0.0046816800000000 ] - [ -0.0039314300000000, -0.0057953200000000, -0.0000560500000000 ] - [ -0.0001284600000000, 0.0020071700000000, -0.0005495400000000 ] - [ 0.0018763900000000, -0.0040917500000000, 0.0026070500000000 ] - [ 0.0018024900000000, -0.0008923300000000, -0.0005495400000000 ] - [ -0.0016740300000000, -0.0011148400000000, -0.0005495400000000 ] - [ -0.0013849900000000, -0.0002402900000000, -0.0024797400000000 ] - [ 0.0009005900000000, -0.0010792900000000, -0.0024797400000000 ] - [ -0.0004007500000000, 0.0003973700000000, -0.0009106900000000 ] - [ 0.0004844000000000, 0.0013195800000000, -0.0024797400000000 ] - [ 0.0002604300000000, -0.0005901100000000, -0.0006354200000000 ] - [ 0.0007814800000000, 0.0003353200000000, -0.0011054900000000 ] - [ 0.0005445100000000, 0.0001483800000000, -0.0009106900000000 ] - [ -0.0006412700000000, 0.0000695200000000, -0.0006354200000000 ] - [ 0.0003808400000000, 0.0005205900000000, -0.0006354200000000 ] - [ 0.0001772700000000, 0.0002237400000000, -0.0009351900000000 ] - [ -0.0007265900000000, -0.0005384400000000, -0.0011283700000000 ] - [ -0.0002823900000000, 0.0000416500000000, -0.0009351900000000 ] - [ -0.0001003500000000, -0.0008444400000000, -0.0011054900000000 ] - [ -0.0001437600000000, -0.0005457500000000, -0.0009106900000000 ] - [ -0.0006811300000000, 0.0005091200000000, -0.0011054900000000 ] - [ -0.0006975800000000, -0.0001724300000000, -0.0006193800000000 ] - [ 0.0004981200000000, -0.0005179100000000, -0.0006193800000000 ] - [ 0.0008296000000000, -0.0003600200000000, -0.0011283700000000 ] - [ 0.0001051300000000, -0.0002653800000000, -0.0009351900000000 ] - [ 0.0001994600000000, 0.0006903400000000, -0.0006193800000000 ] - [ 0.0005409600000000, 0.0001693500000000, -0.0014031500000000 ] - [ -0.0001030100000000, 0.0008984700000000, -0.0011283700000000 ] - [ -0.0001238200000000, -0.0005531600000000, -0.0014031500000000 ] - [ -0.0004171400000000, 0.0003838100000000, -0.0014031500000000 ] - [ -0.0006110500000000, -0.0002145300000000, -0.0015988300000000 ] - [ 0.0004913100000000, -0.0004219200000000, -0.0015988300000000 ] - [ -0.0006610700000000, 0.0006023600000000, -0.0008101100000000 ] - [ 0.0001197400000000, 0.0006364500000000, -0.0015988300000000 ] - [ 0.0000394600000000, -0.0007925400000000, -0.0006198400000000 ] - [ 0.0007311400000000, 0.0003374000000000, -0.0012799300000000 ] - [ 0.0008521900000000, 0.0002713200000000, -0.0008101100000000 ] - [ -0.0007060900000000, 0.0003620900000000, -0.0006198400000000 ] - [ 0.0006666300000000, 0.0004304400000000, -0.0006198400000000 ] - [ 0.0001310100000000, 0.0002690700000000, -0.0007681800000000 ] - [ -0.0007245800000000, -0.0002876400000000, -0.0012063500000000 ] - [ -0.0002985300000000, -0.0000210700000000, -0.0007681800000000 ] - [ -0.0000733700000000, -0.0008018800000000, -0.0012799300000000 ] - [ -0.0001911200000000, -0.0008736800000000, -0.0008101100000000 ] - [ -0.0006577600000000, 0.0004644800000000, -0.0012799300000000 ] - [ -0.0009701400000000, -0.0001151600000000, -0.0006506500000000 ] - [ 0.0005848000000000, -0.0007825900000000, -0.0006506500000000 ] - [ 0.0006113900000000, -0.0004836900000000, -0.0012063500000000 ] - [ 0.0001675100000000, -0.0002480000000000, -0.0007681800000000 ] - [ 0.0003853400000000, 0.0008977400000000, -0.0006506500000000 ] - [ 0.0009560800000000, 0.0008863200000000, -0.0023710100000000 ] - [ 0.0001131900000000, 0.0007713300000000, -0.0012063500000000 ] - [ 0.0002895300000000, -0.0012711500000000, -0.0023710100000000 ] - [ -0.0012456200000000, 0.0003848300000000, -0.0023710100000000 ]- atom: 2 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0001939700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0273212200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000833200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008713600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009038700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008708700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0124608700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0032373600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0035313900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0086458800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0192629800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0195573600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0027188200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0026392000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009625400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0023899900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013608300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0024194500000000 ] - [ -0.0062568000000000, -0.0089747600000000, 0.0041732000000000 ] - [ -0.0046439700000000, 0.0099059300000000, 0.0041732000000000 ] - [ 0.0109007700000000, -0.0009311700000000, 0.0041732000000000 ] - [ 0.0113993100000000, 0.0006201000000000, 0.0037533700000000 ] - [ -0.0062366800000000, 0.0095620400000000, 0.0037533700000000 ] - [ -0.0051626300000000, -0.0101821400000000, 0.0037533700000000 ] - [ 0.0007219600000000, 0.0007049400000000, -0.0023353400000000 ] - [ 0.0002495100000000, -0.0009777100000000, -0.0023353400000000 ] - [ -0.0009714800000000, 0.0002727700000000, -0.0023353400000000 ] - [ 0.0000851900000000, -0.0010872000000000, -0.0028219800000000 ] - [ 0.0008989500000000, 0.0006173800000000, -0.0028219800000000 ] - [ -0.0009841400000000, 0.0004698200000000, -0.0028219800000000 ] - [ -0.0000834900000000, 0.0007739500000000, -0.0029981100000000 ] - [ 0.0007120000000000, -0.0003146700000000, -0.0029981100000000 ] - [ -0.0006285100000000, -0.0004592800000000, -0.0029981100000000 ] - [ -0.0003597300000000, -0.0005032400000000, -0.0022372800000000 ] - [ 0.0006156800000000, -0.0000599100000000, -0.0022372800000000 ] - [ -0.0002559500000000, 0.0005631500000000, -0.0022372800000000 ] - [ 0.0014986900000000, 0.0012391100000000, 0.0001736200000000 ] - [ -0.0018224500000000, 0.0006783400000000, 0.0001736200000000 ] - [ -0.0005552800000000, 0.0032354300000000, -0.0018553400000000 ] - [ 0.0003237600000000, -0.0019174600000000, 0.0001736200000000 ] - [ 0.0040938800000000, 0.0046061600000000, -0.0004813500000000 ] - [ 0.0041602600000000, 0.0013465200000000, -0.0047397000000000 ] - [ 0.0030796000000000, -0.0011368300000000, -0.0018553400000000 ] - [ 0.0019421100000000, -0.0058484900000000, -0.0004813500000000 ] - [ -0.0060359900000000, 0.0012423300000000, -0.0004813500000000 ] - [ -0.0018125800000000, 0.0016175700000000, -0.0039476200000000 ] - [ -0.0034220500000000, -0.0029130900000000, -0.0029430800000000 ] - [ -0.0004945600000000, -0.0023785300000000, -0.0039476200000000 ] - [ -0.0009140000000000, -0.0042761500000000, -0.0047397000000000 ] - [ -0.0025243200000000, -0.0020986000000000, -0.0018553400000000 ] - [ -0.0032462500000000, 0.0029296300000000, -0.0047397000000000 ] - [ -0.0080659900000000, 0.0004147200000000, 0.0001889100000000 ] - [ 0.0036738300000000, -0.0071927100000000, 0.0001889100000000 ] - [ 0.0042338300000000, -0.0015070400000000, -0.0029430800000000 ] - [ 0.0023071500000000, 0.0007609600000000, -0.0039476200000000 ] - [ 0.0043921600000000, 0.0067779900000000, 0.0001889100000000 ] - [ 0.0005764200000000, -0.0025032500000000, 0.0004288700000000 ] - [ -0.0008117800000000, 0.0044201300000000, -0.0029430800000000 ] - [ -0.0024560900000000, 0.0007524300000000, 0.0004288700000000 ] - [ 0.0018796700000000, 0.0017508200000000, 0.0004288700000000 ] - [ 0.0013819800000000, -0.0002928100000000, 0.0019621000000000 ] - [ -0.0004374100000000, 0.0013432300000000, 0.0019621000000000 ] - [ -0.0001705100000000, -0.0001384300000000, 0.0006810300000000 ] - [ -0.0009445700000000, -0.0010504200000000, 0.0019621000000000 ] - [ -0.0000935300000000, -0.0012069200000000, 0.0009772600000000 ] - [ -0.0010259100000000, 0.0002092600000000, 0.0015737900000000 ] - [ -0.0000346300000000, 0.0002168800000000, 0.0006810300000000 ] - [ -0.0009984600000000, 0.0006844600000000, 0.0009772600000000 ] - [ 0.0010919900000000, 0.0005224600000000, 0.0009772600000000 ] - [ 0.0006824200000000, -0.0004113700000000, 0.0016900300000000 ] - [ -0.0000826200000000, 0.0012994000000000, 0.0007985900000000 ] - [ 0.0000150500000000, 0.0007966800000000, 0.0016900300000000 ] - [ 0.0006941800000000, 0.0007838400000000, 0.0015737900000000 ] - [ 0.0002051400000000, -0.0000784500000000, 0.0006810300000000 ] - [ 0.0003317300000000, -0.0009930900000000, 0.0015737900000000 ] - [ -0.0004566100000000, 0.0000846200000000, 0.0008683100000000 ] - [ 0.0001550200000000, -0.0004377500000000, 0.0008683100000000 ] - [ -0.0010840000000000, -0.0007212500000000, 0.0007985900000000 ] - [ -0.0006974700000000, -0.0003853000000000, 0.0016900300000000 ] - [ 0.0003015900000000, 0.0003531300000000, 0.0008683100000000 ] - [ -0.0000866400000000, -0.0006565200000000, 0.0012664900000000 ] - [ 0.0011666200000000, -0.0005781500000000, 0.0007985900000000 ] - [ -0.0005252400000000, 0.0004032900000000, 0.0012664900000000 ] - [ 0.0006118800000000, 0.0002532300000000, 0.0012664900000000 ] - [ 0.0006012200000000, -0.0003194200000000, 0.0010708600000000 ] - [ -0.0000239800000000, 0.0006803800000000, 0.0010708600000000 ] - [ 0.0000933000000000, -0.0003467100000000, 0.0005781800000000 ] - [ -0.0005772400000000, -0.0003609600000000, 0.0010708600000000 ] - [ 0.0001341200000000, -0.0009958700000000, 0.0009626700000000 ] - [ -0.0009800000000000, 0.0002071500000000, 0.0017558700000000 ] - [ -0.0003469100000000, 0.0000925600000000, 0.0005781800000000 ] - [ -0.0009295000000000, 0.0003817800000000, 0.0009626700000000 ] - [ 0.0007953900000000, 0.0006140800000000, 0.0009626700000000 ] - [ 0.0007236800000000, -0.0004454000000000, 0.0015084100000000 ] - [ -0.0000832700000000, 0.0010532500000000, 0.0008780600000000 ] - [ 0.0000238900000000, 0.0008494200000000, 0.0015084100000000 ] - [ 0.0006694000000000, 0.0007451300000000, 0.0017558700000000 ] - [ 0.0002536100000000, 0.0002541600000000, 0.0005781800000000 ] - [ 0.0003106000000000, -0.0009522900000000, 0.0017558700000000 ] - [ -0.0001848300000000, 0.0000279500000000, 0.0008988300000000 ] - [ 0.0000682100000000, -0.0001740400000000, 0.0008988300000000 ] - [ -0.0008705000000000, -0.0005987400000000, 0.0008780600000000 ] - [ -0.0007475700000000, -0.0004040200000000, 0.0015084100000000 ] - [ 0.0001166200000000, 0.0001460900000000, 0.0008988300000000 ] - [ -0.0005033600000000, -0.0013767800000000, 0.0022338300000000 ] - [ 0.0009537700000000, -0.0004545100000000, 0.0008780600000000 ] - [ -0.0009406400000000, 0.0011243100000000, 0.0022338300000000 ] - [ 0.0014440100000000, 0.0002524600000000, 0.0022338300000000 ]- atom: 7 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0127300700000000, -0.0000547100000000, 0.0000751700000000 ] - [ 0.0039224000000000, 0.0005834300000000, -0.0000561800000000 ] - [ 0.0016284400000000, -0.0019163200000000, 0.0000594400000000 ] - [ -0.0002304500000000, -0.0000569200000000, -0.0000610100000000 ] - [ 0.0000079700000000, -0.0000040700000000, 0.0000547400000000 ] - [ 0.0000952400000000, 0.0001108500000000, -0.0000605500000000 ] - [ -0.2298932600000000, -0.0003485300000000, -0.0005495000000000 ] - [ 0.0002462800000000, -0.0000455900000000, -0.0000550400000000 ] - [ 0.0002450400000000, 0.0000489400000000, -0.0000567900000000 ] - [ 0.0189837800000000, -0.0017544100000000, -0.0001652300000000 ] - [ 0.0082191600000000, 0.0099313300000000, 0.0000523300000000 ] - [ 0.0062453200000000, -0.0092391900000000, 0.0002726400000000 ] - [ 0.0003436800000000, 0.0000470200000000, -0.0001775100000000 ] - [ -0.0000779500000000, -0.0000077400000000, 0.0000393100000000 ] - [ -0.0159489500000000, -0.0006159000000000, 0.0002748300000000 ] - [ -0.0012915100000000, -0.0000077800000000, -0.0001745100000000 ] - [ 0.0073125700000000, 0.0088030400000000, 0.0000270600000000 ] - [ 0.0000327300000000, 0.0000253700000000, 0.0002829500000000 ] - [ 0.0615307600000000, 0.0041087700000000, -0.0711383400000000 ] - [ 0.0103805400000000, 0.0294618600000000, 0.0363698500000000 ] - [ 0.0128889900000000, -0.0265223900000000, 0.0346499200000000 ] - [ 0.0090592200000000, 0.0359143900000000, 0.0010076200000000 ] - [ 0.0786273700000000, 0.0086908200000000, -0.0094114200000000 ] - [ 0.0202218900000000, -0.0382067800000000, 0.0076673900000000 ] - [ 0.0004936400000000, 0.0002418000000000, -0.0000852000000000 ] - [ -0.0001516300000000, -0.0005418300000000, -0.0000967200000000 ] - [ -0.0003542500000000, 0.0003205100000000, -0.0001778200000000 ] - [ 0.0022997400000000, -0.0001399400000000, -0.0003212100000000 ] - [ -0.0009694000000000, -0.0017103300000000, 0.0009192700000000 ] - [ -0.0006387700000000, 0.0014145000000000, -0.0012411500000000 ] - [ -0.0007611100000000, -0.0020600900000000, -0.0016463400000000 ] - [ 0.0023334500000000, -0.0010716800000000, 0.0008009000000000 ] - [ -0.0012616400000000, 0.0021352700000000, 0.0004752700000000 ] - [ 0.0001518800000000, 0.0000666600000000, -0.0001242100000000 ] - [ -0.0000991000000000, 0.0001082100000000, -0.0001207500000000 ] - [ 0.0001166200000000, -0.0001819800000000, -0.0003556100000000 ] - [ -0.0090343300000000, 0.0024181500000000, -0.0077589700000000 ] - [ 0.0007692400000000, -0.0091132100000000, -0.0060553900000000 ] - [ -0.0182438600000000, 0.0128675100000000, 0.0074511100000000 ] - [ -0.0148087500000000, -0.0114201900000000, 0.0130344400000000 ] - [ -0.0188751700000000, -0.0178092600000000, 0.0116688100000000 ] - [ 0.0403125800000000, -0.0014723600000000, -0.0066699000000000 ] - [ -0.0087757400000000, -0.0035939900000000, -0.0044760100000000 ] - [ 0.0012649700000000, -0.0136244700000000, -0.0055428500000000 ] - [ -0.0102139200000000, 0.0032803900000000, -0.0056337300000000 ] - [ 0.0019766900000000, -0.0092386400000000, 0.0082029500000000 ] - [ 0.0149500200000000, 0.0008136800000000, 0.0077113100000000 ] - [ -0.0183176000000000, -0.0097610900000000, -0.0105208700000000 ] - [ 0.0253914600000000, 0.0120610000000000, 0.0059834000000000 ] - [ 0.0008261500000000, 0.0118634600000000, -0.0033259400000000 ] - [ 0.0217586300000000, -0.0104247500000000, 0.0030283100000000 ] - [ -0.0078381300000000, -0.0037020200000000, -0.0012727100000000 ] - [ -0.0172440200000000, 0.0124147500000000, 0.0019017200000000 ] - [ 0.0202893600000000, -0.0021706100000000, -0.0185773700000000 ] - [ -0.0094863200000000, 0.0071029300000000, 0.0034456000000000 ] - [ 0.0021685100000000, 0.0140996200000000, -0.0002304800000000 ] - [ 0.0026974000000000, 0.0010249400000000, -0.0128516800000000 ] - [ 0.0159775900000000, -0.0038102300000000, 0.0090139000000000 ] - [ 0.0016708900000000, -0.0008771900000000, -0.0118016800000000 ] - [ 0.0041283200000000, 0.0001418400000000, 0.0244957700000000 ] - [ 0.0003304600000000, -0.0020863100000000, 0.0009830300000000 ] - [ -0.0019095100000000, 0.0003191700000000, 0.0007460000000000 ] - [ -0.0002938000000000, 0.0000862800000000, -0.0000990200000000 ] - [ 0.0005930800000000, 0.0014416200000000, -0.0024749200000000 ] - [ 0.0000967500000000, -0.0009113700000000, 0.0001430700000000 ] - [ -0.0001468500000000, 0.0002601500000000, 0.0002205700000000 ] - [ 0.0002705600000000, 0.0001825500000000, -0.0001387200000000 ] - [ -0.0007886600000000, 0.0003884900000000, 0.0001677700000000 ] - [ 0.0007388700000000, 0.0005340200000000, 0.0002069500000000 ] - [ 0.0000594300000000, 0.0000911900000000, 0.0002506500000000 ] - [ -0.0010246900000000, 0.0002414600000000, -0.0001441500000000 ] - [ -0.0001704400000000, 0.0005896400000000, 0.0000851500000000 ] - [ 0.0003095900000000, 0.0000056200000000, 0.0002513000000000 ] - [ -0.0000011400000000, -0.0003125200000000, -0.0001069300000000 ] - [ -0.0002165800000000, -0.0002078500000000, 0.0002416100000000 ] - [ -0.0017294700000000, 0.0000871900000000, -0.0008729900000000 ] - [ 0.0012851100000000, 0.0006918300000000, 0.0002023400000000 ] - [ 0.0002174500000000, 0.0000402600000000, -0.0000550700000000 ] - [ -0.0005135500000000, -0.0004387300000000, 0.0007978700000000 ] - [ 0.0010591400000000, -0.0006496500000000, 0.0010506300000000 ] - [ 0.0002376100000000, -0.0002310700000000, -0.0000867700000000 ] - [ 0.0010172300000000, -0.0004513900000000, -0.0003005100000000 ] - [ -0.0003391700000000, -0.0000629700000000, -0.0000488600000000 ] - [ 0.0000920400000000, 0.0003081000000000, -0.0000815100000000 ] - [ 0.0000106800000000, -0.0002610900000000, -0.0002072500000000 ] - [ 0.0002463500000000, 0.0001232200000000, -0.0002865800000000 ] - [ 0.0002823500000000, 0.0008806200000000, 0.0007027100000000 ] - [ -0.0002234300000000, 0.0001414100000000, -0.0002883100000000 ] - [ 0.0008047900000000, 0.0003957500000000, -0.0006588500000000 ] - [ -0.0001377800000000, 0.0004761400000000, 0.0005790400000000 ] - [ -0.0004002500000000, 0.0000559900000000, -0.0013490100000000 ] - [ -0.0022498800000000, 0.0009205600000000, 0.0009454600000000 ] - [ 0.0010155100000000, -0.0004216400000000, 0.0002290100000000 ] - [ 0.0004948700000000, -0.0000332300000000, 0.0003009600000000 ] - [ -0.0004173800000000, 0.0004119200000000, -0.0001771100000000 ] - [ -0.0000748900000000, 0.0003532700000000, 0.0002671000000000 ] - [ -0.0000190600000000, -0.0001056100000000, 0.0000018000000000 ] - [ 0.0007476600000000, -0.0010568700000000, 0.0003011900000000 ] - [ -0.0000892700000000, -0.0004569000000000, 0.0001434400000000 ] - [ -0.0005960000000000, -0.0000507200000000, 0.0001090200000000 ] - [ 0.0003221800000000, -0.0005204000000000, 0.0001013100000000 ] - [ -0.0001529000000000, -0.0005476700000000, -0.0001708700000000 ] - [ -0.0003287100000000, -0.0003267200000000, 0.0005431800000000 ] - [ 0.0002141900000000, 0.0004909600000000, 0.0001660400000000 ] - [ -0.0020314500000000, -0.0002777100000000, 0.0003947100000000 ] - [ 0.0004793400000000, 0.0001863100000000, -0.0001532100000000 ] - [ 0.0003615200000000, -0.0011856500000000, -0.0017560300000000 ] - [ 0.0002455100000000, 0.0022954500000000, 0.0011514200000000 ]- atom: 7 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0126904000000000, 0.0000411400000000, 0.0000750600000000 ] - [ -0.0039297100000000, -0.0006126600000000, -0.0000564600000000 ] - [ -0.0016321600000000, 0.0019287400000000, 0.0000594400000000 ] - [ 0.0002308200000000, 0.0000570100000000, -0.0000610500000000 ] - [ -0.0000094500000000, 0.0000039200000000, 0.0000545700000000 ] - [ -0.0000962800000000, -0.0001102900000000, -0.0000607100000000 ] - [ 0.2312038200000000, -0.0003458600000000, -0.0006329600000000 ] - [ -0.0002458600000000, 0.0000501100000000, -0.0000556900000000 ] - [ -0.0002472400000000, -0.0000464700000000, -0.0000552600000000 ] - [ -0.0189903000000000, 0.0019076400000000, -0.0001656200000000 ] - [ -0.0082682000000000, -0.0099885700000000, 0.0000520700000000 ] - [ -0.0062181200000000, 0.0091860900000000, 0.0002742400000000 ] - [ -0.0003490000000000, -0.0000425200000000, -0.0001765000000000 ] - [ 0.0000786300000000, 0.0000094900000000, 0.0000393000000000 ] - [ 0.0160263600000000, 0.0006036600000000, 0.0002769800000000 ] - [ 0.0012917300000000, 0.0000093600000000, -0.0001732700000000 ] - [ -0.0073137400000000, -0.0087631200000000, 0.0000271100000000 ] - [ -0.0000326700000000, -0.0000273200000000, 0.0002844700000000 ] - [ -0.0609480500000000, -0.0037954500000000, 0.0715034500000000 ] - [ -0.0107461300000000, -0.0305207100000000, -0.0366154800000000 ] - [ -0.0138114600000000, 0.0273044000000000, -0.0350014700000000 ] - [ -0.0087374500000000, -0.0356631500000000, -0.0013805900000000 ] - [ -0.0784495500000000, -0.0085403200000000, 0.0087428000000000 ] - [ -0.0201465600000000, 0.0380051900000000, -0.0080972700000000 ] - [ 0.0005116000000000, 0.0001064100000000, -0.0001548700000000 ] - [ -0.0000321300000000, -0.0005027400000000, -0.0001440100000000 ] - [ -0.0004373100000000, 0.0003617200000000, -0.0000628600000000 ] - [ -0.0020428200000000, 0.0003344800000000, -0.0001024900000000 ] - [ 0.0006747700000000, 0.0018495400000000, -0.0013536600000000 ] - [ 0.0006849200000000, -0.0017546100000000, 0.0008139000000000 ] - [ 0.0017612000000000, 0.0024001200000000, 0.0013987500000000 ] - [ -0.0025053300000000, 0.0000339800000000, -0.0010529900000000 ] - [ 0.0004851500000000, -0.0014561100000000, -0.0007170600000000 ] - [ 0.0001170000000000, 0.0001256100000000, -0.0002736200000000 ] - [ -0.0001916000000000, 0.0000176600000000, -0.0002785200000000 ] - [ -0.0000762500000000, -0.0001492800000000, -0.0000472300000000 ] - [ 0.0090413300000000, -0.0029662100000000, 0.0072492000000000 ] - [ -0.0002990200000000, 0.0093411300000000, 0.0055047500000000 ] - [ 0.0176994900000000, -0.0126317500000000, -0.0077068400000000 ] - [ 0.0143397100000000, 0.0116942100000000, -0.0135364300000000 ] - [ 0.0191132700000000, 0.0160803900000000, -0.0114046700000000 ] - [ -0.0441775600000000, 0.0020968500000000, 0.0096568600000000 ] - [ 0.0093119700000000, 0.0039428800000000, 0.0042311600000000 ] - [ -0.0029028400000000, 0.0144536200000000, 0.0059085900000000 ] - [ 0.0117268100000000, -0.0022434500000000, 0.0059876100000000 ] - [ -0.0011312600000000, 0.0090138400000000, -0.0074437600000000 ] - [ -0.0156893000000000, -0.0001323300000000, -0.0082165800000000 ] - [ 0.0179980800000000, 0.0105269700000000, 0.0112461700000000 ] - [ -0.0246096900000000, -0.0114976100000000, -0.0050726100000000 ] - [ -0.0007676300000000, -0.0125796900000000, 0.0031235700000000 ] - [ -0.0219751200000000, 0.0094121400000000, -0.0022018500000000 ] - [ 0.0066069000000000, 0.0036002800000000, 0.0015228200000000 ] - [ 0.0178668200000000, -0.0133320000000000, -0.0016085200000000 ] - [ -0.0184333300000000, 0.0012223600000000, 0.0161853200000000 ] - [ 0.0088787600000000, -0.0077683200000000, -0.0026720800000000 ] - [ -0.0016750700000000, -0.0130200100000000, 0.0004845500000000 ] - [ -0.0022423100000000, -0.0015203500000000, 0.0127818700000000 ] - [ -0.0149316200000000, 0.0043963200000000, -0.0097831000000000 ] - [ -0.0023248600000000, 0.0007466700000000, 0.0117608600000000 ] - [ -0.0039512200000000, 0.0004985400000000, -0.0247005700000000 ] - [ -0.0003154500000000, 0.0015608400000000, -0.0014807700000000 ] - [ 0.0023776300000000, -0.0000446500000000, -0.0012514100000000 ] - [ -0.0002779300000000, 0.0001709800000000, -0.0001310700000000 ] - [ -0.0010604000000000, -0.0011889100000000, 0.0019845400000000 ] - [ 0.0000678000000000, -0.0008833400000000, 0.0002024400000000 ] - [ -0.0001104600000000, 0.0002847200000000, 0.0002596600000000 ] - [ 0.0002370700000000, 0.0001826600000000, -0.0000918900000000 ] - [ -0.0008548000000000, 0.0003744900000000, 0.0001771600000000 ] - [ 0.0007252200000000, 0.0005090500000000, 0.0001368500000000 ] - [ 0.0008033800000000, -0.0002802700000000, 0.0005054400000000 ] - [ 0.0002163100000000, 0.0005193700000000, -0.0001893300000000 ] - [ -0.0000979600000000, 0.0002482800000000, 0.0006715700000000 ] - [ 0.0002862400000000, -0.0000612700000000, 0.0002246100000000 ] - [ 0.0000639000000000, -0.0003116600000000, -0.0001231700000000 ] - [ -0.0001299100000000, -0.0002826300000000, 0.0002312100000000 ] - [ 0.0005711700000000, -0.0001713900000000, 0.0011315800000000 ] - [ -0.0006350900000000, -0.0016540100000000, 0.0000510300000000 ] - [ -0.0004740800000000, -0.0011263100000000, -0.0002784000000000 ] - [ -0.0000790700000000, -0.0002135100000000, -0.0000425700000000 ] - [ -0.0005587900000000, 0.0017012900000000, -0.0008021200000000 ] - [ 0.0002167300000000, -0.0002530500000000, -0.0000582600000000 ] - [ 0.0000382500000000, 0.0007823500000000, -0.0000325200000000 ] - [ -0.0003096200000000, -0.0000869200000000, -0.0000928000000000 ] - [ 0.0000977600000000, 0.0003289000000000, -0.0000659300000000 ] - [ -0.0000194000000000, -0.0002719500000000, -0.0003127800000000 ] - [ 0.0002238600000000, 0.0001321600000000, -0.0002377900000000 ] - [ -0.0008538600000000, -0.0006168800000000, -0.0009335700000000 ] - [ -0.0002329900000000, 0.0001324900000000, -0.0002330700000000 ] - [ -0.0006317000000000, -0.0021840700000000, 0.0010050100000000 ] - [ -0.0001258600000000, 0.0000695100000000, -0.0000908000000000 ] - [ 0.0008981000000000, 0.0003086900000000, 0.0011187700000000 ] - [ 0.0006094200000000, -0.0001699400000000, -0.0006026900000000 ] - [ 0.0004353100000000, 0.0014635100000000, 0.0001126900000000 ] - [ 0.0003610700000000, -0.0001434600000000, 0.0004384700000000 ] - [ -0.0003935300000000, 0.0003481800000000, -0.0001571500000000 ] - [ -0.0002002500000000, 0.0004763000000000, 0.0004724600000000 ] - [ 0.0006188300000000, 0.0000574800000000, 0.0004829800000000 ] - [ -0.0006862000000000, 0.0004305000000000, -0.0005313700000000 ] - [ -0.0002567200000000, -0.0000383200000000, 0.0003340000000000 ] - [ -0.0005694300000000, -0.0000343400000000, 0.0001428800000000 ] - [ 0.0003296900000000, -0.0004336400000000, 0.0001497300000000 ] - [ -0.0001026000000000, -0.0005359000000000, -0.0001634800000000 ] - [ -0.0002555900000000, -0.0003271200000000, 0.0001999600000000 ] - [ 0.0002914700000000, 0.0005573700000000, 0.0000830800000000 ] - [ 0.0024784100000000, -0.0002053200000000, -0.0005303400000000 ] - [ 0.0005785100000000, 0.0001425200000000, -0.0001822200000000 ] - [ -0.0010141300000000, 0.0010387200000000, 0.0016132400000000 ] - [ -0.0000516400000000, -0.0016530800000000, -0.0012926800000000 ]- atom: 7 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0210766500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0125427000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0024592100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0034150300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0038757900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0031203600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.2740414200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0130756900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0130759200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0403241400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0072014200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016627600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0096271200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0109650800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0170361100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0110362900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0073370400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0112147700000000 ] - [ -0.0392232700000000, 0.0019263900000000, 0.0323007500000000 ] - [ 0.0212799400000000, 0.0330051600000000, 0.0323007500000000 ] - [ 0.0179433300000000, -0.0349315500000000, 0.0323007500000000 ] - [ 0.0158231200000000, 0.0476833400000000, -0.0197557900000000 ] - [ -0.0492065400000000, -0.0101384400000000, -0.0197557900000000 ] - [ 0.0333834200000000, -0.0375448900000000, -0.0197557900000000 ] - [ -0.0004743900000000, -0.0018359800000000, 0.0088905100000000 ] - [ -0.0013528100000000, 0.0013288200000000, 0.0088905100000000 ] - [ 0.0018272000000000, 0.0005071600000000, 0.0088905100000000 ] - [ 0.0032513800000000, 0.0023114300000000, 0.0076689600000000 ] - [ -0.0036274400000000, 0.0016600600000000, 0.0076689600000000 ] - [ 0.0003760700000000, -0.0039714900000000, 0.0076689600000000 ] - [ -0.0024005200000000, 0.0003926600000000, 0.0076025600000000 ] - [ 0.0015403100000000, 0.0018825800000000, 0.0076025600000000 ] - [ 0.0008602100000000, -0.0022752400000000, 0.0076025600000000 ] - [ 0.0021485900000000, 0.0020988500000000, 0.0082936800000000 ] - [ -0.0028919500000000, 0.0008113100000000, 0.0082936800000000 ] - [ 0.0007433600000000, -0.0029101600000000, 0.0082936800000000 ] - [ -0.0070209800000000, 0.0048364700000000, -0.0019783700000000 ] - [ -0.0006780200000000, -0.0084985800000000, -0.0019783700000000 ] - [ 0.0099080400000000, -0.0087552700000000, 0.0004252700000000 ] - [ 0.0076990000000000, 0.0036621100000000, -0.0019783700000000 ] - [ 0.0081113100000000, 0.0048289400000000, -0.0023420000000000 ] - [ -0.0244626200000000, 0.0012322400000000, 0.0311403900000000 ] - [ -0.0125363000000000, -0.0042029800000000, 0.0004252700000000 ] - [ 0.0001263300000000, -0.0094390700000000, -0.0023420000000000 ] - [ -0.0082376400000000, 0.0046101300000000, -0.0023420000000000 ] - [ 0.0048280800000000, -0.0150224500000000, 0.0239027600000000 ] - [ 0.0081363400000000, 0.0123416300000000, 0.0373164200000000 ] - [ 0.0105957800000000, 0.0116924700000000, 0.0239027600000000 ] - [ 0.0132984600000000, 0.0205691300000000, 0.0311403900000000 ] - [ 0.0026282700000000, 0.0129582500000000, 0.0004252700000000 ] - [ 0.0111641600000000, -0.0218013700000000, 0.0311403900000000 ] - [ -0.0098029900000000, -0.0067510800000000, 0.0053471600000000 ] - [ 0.0107481000000000, -0.0051141000000000, 0.0053471600000000 ] - [ -0.0147563300000000, 0.0008754600000000, 0.0373164200000000 ] - [ -0.0154238600000000, 0.0033299800000000, 0.0239027600000000 ] - [ -0.0009451100000000, 0.0118651800000000, 0.0053471600000000 ] - [ -0.0013972200000000, -0.0023106700000000, -0.0089329500000000 ] - [ 0.0066200000000000, -0.0132170900000000, 0.0373164200000000 ] - [ -0.0013024900000000, 0.0023653600000000, -0.0089329500000000 ] - [ 0.0026997100000000, -0.0000546900000000, -0.0089329500000000 ] - [ -0.0022185600000000, 0.0002559000000000, -0.0051150800000000 ] - [ 0.0008876700000000, -0.0020492800000000, -0.0051150800000000 ] - [ -0.0007051200000000, 0.0011374100000000, -0.0032799400000000 ] - [ 0.0013308900000000, 0.0017933800000000, -0.0051150800000000 ] - [ 0.0007866000000000, 0.0003107300000000, -0.0031297100000000 ] - [ 0.0035351900000000, 0.0004968200000000, -0.0052114600000000 ] - [ 0.0013375900000000, 0.0000419400000000, -0.0032799400000000 ] - [ -0.0001242000000000, -0.0008365800000000, -0.0031297100000000 ] - [ -0.0006624000000000, 0.0005258500000000, -0.0031297100000000 ] - [ -0.0009263500000000, 0.0014554200000000, -0.0042792200000000 ] - [ -0.0018607100000000, -0.0023423100000000, -0.0039737900000000 ] - [ -0.0007972600000000, -0.0015299600000000, -0.0042792200000000 ] - [ -0.0013373400000000, -0.0033099700000000, -0.0052114600000000 ] - [ -0.0006324700000000, -0.0011793600000000, -0.0032799400000000 ] - [ -0.0021978500000000, 0.0028131600000000, -0.0052114600000000 ] - [ -0.0028356700000000, -0.0002890400000000, -0.0033406900000000 ] - [ 0.0016681500000000, -0.0023112400000000, -0.0033406900000000 ] - [ 0.0029588500000000, -0.0004402700000000, -0.0039737900000000 ] - [ 0.0017236100000000, 0.0000745300000000, -0.0042792200000000 ] - [ 0.0011675100000000, 0.0026002800000000, -0.0033406900000000 ] - [ 0.0014824100000000, 0.0014315200000000, -0.0054908400000000 ] - [ -0.0010981500000000, 0.0027825700000000, -0.0039737900000000 ] - [ 0.0004985300000000, -0.0019995700000000, -0.0054908400000000 ] - [ -0.0019809400000000, 0.0005680500000000, -0.0054908400000000 ] - [ -0.0024175500000000, -0.0000749000000000, -0.0057054900000000 ] - [ 0.0012736400000000, -0.0020562100000000, -0.0057054900000000 ] - [ 0.0003937500000000, -0.0003045400000000, -0.0042375800000000 ] - [ 0.0011439100000000, 0.0021311100000000, -0.0057054900000000 ] - [ 0.0009016300000000, -0.0000743800000000, -0.0025989500000000 ] - [ 0.0038020600000000, 0.0002309200000000, -0.0049467900000000 ] - [ -0.0004606200000000, -0.0001887200000000, -0.0042375800000000 ] - [ -0.0005152200000000, -0.0007436400000000, -0.0025989500000000 ] - [ -0.0003864000000000, 0.0008180200000000, -0.0025989500000000 ] - [ -0.0008791800000000, 0.0016285900000000, -0.0046174000000000 ] - [ -0.0016218600000000, -0.0020846100000000, -0.0042488600000000 ] - [ -0.0009708000000000, -0.0015756900000000, -0.0046174000000000 ] - [ -0.0017010500000000, -0.0034081400000000, -0.0049467900000000 ] - [ 0.0000668700000000, 0.0004932700000000, -0.0042375800000000 ] - [ -0.0021010100000000, 0.0031772300000000, -0.0049467900000000 ] - [ -0.0022172600000000, -0.0002694700000000, -0.0030270700000000 ] - [ 0.0013420000000000, -0.0017854700000000, -0.0030270700000000 ] - [ 0.0026162500000000, -0.0003622600000000, -0.0042488600000000 ] - [ 0.0018499900000000, -0.0000529000000000, -0.0046174000000000 ] - [ 0.0008752700000000, 0.0020549400000000, -0.0030270700000000 ] - [ -0.0000891300000000, -0.0000857800000000, -0.0031001300000000 ] - [ -0.0009944000000000, 0.0024468700000000, -0.0042488600000000 ] - [ -0.0000297200000000, 0.0001200800000000, -0.0031001300000000 ] - [ 0.0001188500000000, -0.0000343000000000, -0.0031001300000000 ]- atom: 7 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0212973600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0124627900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0023563700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0035461300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0037722600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0032496600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.2751585600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0132172200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0132072900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0400897400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0071542800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010847400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100120400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0109115000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0164673400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0114317600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0072671500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0106879500000000 ] - [ 0.0401327800000000, -0.0015918400000000, -0.0326403800000000 ] - [ -0.0214449700000000, -0.0339600900000000, -0.0326403800000000 ] - [ -0.0186878100000000, 0.0355519300000000, -0.0326403800000000 ] - [ -0.0156912700000000, -0.0477451900000000, 0.0194422800000000 ] - [ 0.0491941800000000, 0.0102835500000000, 0.0194422800000000 ] - [ -0.0335029100000000, 0.0374616300000000, 0.0194422800000000 ] - [ 0.0014787700000000, 0.0021951600000000, -0.0091657700000000 ] - [ 0.0011616800000000, -0.0023782300000000, -0.0091657700000000 ] - [ -0.0026404500000000, 0.0001830700000000, -0.0091657700000000 ] - [ -0.0029813700000000, -0.0021153400000000, -0.0081157800000000 ] - [ 0.0033226200000000, -0.0015242800000000, -0.0081157800000000 ] - [ -0.0003412500000000, 0.0036396100000000, -0.0081157800000000 ] - [ 0.0034096000000000, -0.0000584300000000, -0.0078632500000000 ] - [ -0.0017554000000000, -0.0029235800000000, -0.0078632500000000 ] - [ -0.0016542000000000, 0.0029820200000000, -0.0078632500000000 ] - [ -0.0018886500000000, -0.0019092100000000, -0.0087132100000000 ] - [ 0.0025977500000000, -0.0006810100000000, -0.0087132100000000 ] - [ -0.0007091000000000, 0.0025902200000000, -0.0087132100000000 ] - [ 0.0070268900000000, -0.0053895200000000, 0.0014260900000000 ] - [ 0.0011540200000000, 0.0087802300000000, 0.0014260900000000 ] - [ -0.0105031400000000, 0.0090431000000000, -0.0006187600000000 ] - [ -0.0081809100000000, -0.0033907100000000, 0.0014260900000000 ] - [ -0.0079615200000000, -0.0066447600000000, 0.0027111000000000 ] - [ 0.0224755500000000, -0.0006414200000000, -0.0299882800000000 ] - [ 0.0130831200000000, 0.0045744400000000, -0.0006187600000000 ] - [ -0.0017737700000000, 0.0102172600000000, 0.0027111000000000 ] - [ 0.0097352900000000, -0.0035725000000000, 0.0027111000000000 ] - [ -0.0039837800000000, 0.0149164600000000, -0.0232083600000000 ] - [ -0.0095395500000000, -0.0128077200000000, -0.0387121900000000 ] - [ -0.0109261400000000, -0.0109082800000000, -0.0232083600000000 ] - [ -0.0117932600000000, -0.0191436900000000, -0.0299882800000000 ] - [ -0.0025799800000000, -0.0136175400000000, -0.0006187600000000 ] - [ -0.0106822900000000, 0.0197851100000000, -0.0299882800000000 ] - [ 0.0086619400000000, 0.0066775700000000, -0.0051148100000000 ] - [ -0.0101139100000000, 0.0041626800000000, -0.0051148100000000 ] - [ 0.0158615900000000, -0.0018576300000000, -0.0387121900000000 ] - [ 0.0149099200000000, -0.0040081800000000, -0.0232083600000000 ] - [ 0.0014519700000000, -0.0108402500000000, -0.0051148100000000 ] - [ 0.0018434900000000, 0.0018069100000000, 0.0088528100000000 ] - [ -0.0063220400000000, 0.0146653500000000, -0.0387121900000000 ] - [ 0.0006430800000000, -0.0024999600000000, 0.0088528100000000 ] - [ -0.0024865700000000, 0.0006930500000000, 0.0088528100000000 ] - [ 0.0022347000000000, -0.0007891600000000, 0.0046219600000000 ] - [ -0.0004339200000000, 0.0023298900000000, 0.0046219600000000 ] - [ 0.0001373400000000, -0.0008854500000000, 0.0030591600000000 ] - [ -0.0018007800000000, -0.0015407300000000, 0.0046219600000000 ] - [ -0.0006198800000000, -0.0021073300000000, 0.0034791900000000 ] - [ -0.0037879700000000, 0.0000466200000000, 0.0056970800000000 ] - [ -0.0008354900000000, 0.0003237900000000, 0.0030591600000000 ] - [ -0.0015150600000000, 0.0015905000000000, 0.0034791900000000 ] - [ 0.0021349400000000, 0.0005168300000000, 0.0034791900000000 ] - [ 0.0017894600000000, -0.0016459300000000, 0.0050508600000000 ] - [ 0.0010551100000000, 0.0031158600000000, 0.0036648700000000 ] - [ 0.0005306800000000, 0.0023726800000000, 0.0050508600000000 ] - [ 0.0019343600000000, 0.0032571700000000, 0.0056970800000000 ] - [ 0.0006981500000000, 0.0005616600000000, 0.0030591600000000 ] - [ 0.0018536100000000, -0.0033037900000000, 0.0056970800000000 ] - [ 0.0016846800000000, 0.0002058800000000, 0.0035978100000000 ] - [ -0.0010206400000000, 0.0013560400000000, 0.0035978100000000 ] - [ -0.0032259600000000, -0.0006441800000000, 0.0036648700000000 ] - [ -0.0023201400000000, -0.0007267500000000, 0.0050508600000000 ] - [ -0.0006640400000000, -0.0015619200000000, 0.0035978100000000 ] - [ -0.0010324000000000, -0.0019255200000000, 0.0053732600000000 ] - [ 0.0021708600000000, -0.0024716800000000, 0.0036648700000000 ] - [ -0.0011513500000000, 0.0018568400000000, 0.0053732600000000 ] - [ 0.0021837500000000, 0.0000686800000000, 0.0053732600000000 ] - [ 0.0024164800000000, -0.0004598800000000, 0.0051915800000000 ] - [ -0.0008099700000000, 0.0023226800000000, 0.0051915800000000 ] - [ -0.0009676700000000, 0.0005660000000000, 0.0040258600000000 ] - [ -0.0016065100000000, -0.0018627900000000, 0.0051915800000000 ] - [ -0.0007284300000000, -0.0017088900000000, 0.0029433300000000 ] - [ -0.0040557200000000, 0.0003154300000000, 0.0054287000000000 ] - [ 0.0009740100000000, 0.0005550300000000, 0.0040258600000000 ] - [ -0.0011157300000000, 0.0014852900000000, 0.0029433300000000 ] - [ 0.0018441600000000, 0.0002236000000000, 0.0029433300000000 ] - [ 0.0017387000000000, -0.0018097300000000, 0.0053761100000000 ] - [ 0.0008178900000000, 0.0028611200000000, 0.0039368400000000 ] - [ 0.0006979300000000, 0.0024106200000000, 0.0053761100000000 ] - [ 0.0023010300000000, 0.0033546400000000, 0.0054287000000000 ] - [ -0.0000063400000000, -0.0011210300000000, 0.0040258600000000 ] - [ 0.0017546900000000, -0.0036700700000000, 0.0054287000000000 ] - [ 0.0010701200000000, 0.0001860900000000, 0.0032842000000000 ] - [ -0.0006962200000000, 0.0008337000000000, 0.0032842000000000 ] - [ -0.0028867500000000, -0.0007222400000000, 0.0039368400000000 ] - [ -0.0024366200000000, -0.0006008900000000, 0.0053761100000000 ] - [ -0.0003739000000000, -0.0010198000000000, 0.0032842000000000 ] - [ 0.0005491700000000, -0.0004002900000000, 0.0029617000000000 ] - [ 0.0020688600000000, -0.0021388800000000, 0.0039368400000000 ] - [ -0.0006212500000000, -0.0002754500000000, 0.0029617000000000 ] - [ 0.0000720800000000, 0.0006757400000000, 0.0029617000000000 ]- atom: 10 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0008953900000000, -0.0013033400000000, 0.0000531100000000 ] - [ 0.0031462500000000, 0.0004433500000000, -0.0000644100000000 ] - [ -0.0080543900000000, -0.0000683700000000, 0.0000349600000000 ] - [ 0.0000582200000000, 0.0000604900000000, -0.0000604400000000 ] - [ 0.0000043000000000, 0.0000020700000000, 0.0000552800000000 ] - [ -0.0001616500000000, -0.0000191800000000, -0.0000596500000000 ] - [ 0.0189928400000000, 0.0017633900000000, -0.0000985400000000 ] - [ -0.0012914600000000, 0.0000098200000000, -0.0000530700000000 ] - [ 0.0003448200000000, -0.0000425200000000, -0.0000516500000000 ] - [ -0.2783643800000000, 0.0004458900000000, 0.0003453700000000 ] - [ 0.0051008800000000, -0.0063358200000000, 0.0000566700000000 ] - [ 0.0051980800000000, 0.0063547400000000, 0.0002720000000000 ] - [ 0.0001854800000000, 0.0000403500000000, -0.0001726800000000 ] - [ 0.0000157600000000, 0.0000062400000000, 0.0000429300000000 ] - [ 0.0046200300000000, 0.0064948200000000, 0.0002810900000000 ] - [ 0.0001883000000000, -0.0000364100000000, -0.0001713100000000 ] - [ -0.0109328900000000, 0.0004279600000000, 0.0000426500000000 ] - [ -0.0000389700000000, -0.0000099100000000, 0.0002877700000000 ] - [ 0.0189319700000000, -0.0303135400000000, 0.0039920500000000 ] - [ 0.0622244500000000, 0.0072481900000000, -0.0060053100000000 ] - [ 0.0068734400000000, 0.0270619900000000, 0.0018590500000000 ] - [ 0.0086587000000000, -0.0170181200000000, 0.0214216700000000 ] - [ 0.0100386400000000, 0.0176262800000000, 0.0216239500000000 ] - [ 0.0395169000000000, -0.0013889200000000, -0.0437314100000000 ] - [ 0.0005285900000000, 0.0001673800000000, -0.0001709500000000 ] - [ -0.0000875000000000, -0.0005127100000000, -0.0000879600000000 ] - [ -0.0003934900000000, 0.0003257000000000, -0.0000946700000000 ] - [ -0.0006324300000000, 0.0014743800000000, 0.0001561100000000 ] - [ 0.0012902600000000, -0.0005614000000000, 0.0008609200000000 ] - [ -0.0013623500000000, -0.0017063800000000, -0.0016414600000000 ] - [ 0.0000485900000000, 0.0012033100000000, -0.0008838400000000 ] - [ -0.0006311500000000, -0.0016625900000000, 0.0005823800000000 ] - [ 0.0009983300000000, 0.0002076600000000, -0.0000570400000000 ] - [ 0.0001550600000000, 0.0001053900000000, -0.0002490100000000 ] - [ -0.0001627300000000, 0.0000488200000000, -0.0001774800000000 ] - [ 0.0000024100000000, -0.0001384900000000, -0.0001658100000000 ] - [ 0.0032944700000000, 0.0005552400000000, 0.0171572400000000 ] - [ 0.0024289600000000, -0.0008637300000000, -0.0090581900000000 ] - [ 0.0195607000000000, -0.0178615000000000, 0.0236459800000000 ] - [ 0.0009487900000000, 0.0010093600000000, -0.0088867900000000 ] - [ 0.0010012500000000, 0.0093312600000000, 0.0007890700000000 ] - [ -0.0117664100000000, 0.0054595800000000, 0.0055591600000000 ] - [ 0.0443368000000000, 0.0022791900000000, -0.0408204900000000 ] - [ -0.0140259200000000, 0.0091320800000000, 0.0010753800000000 ] - [ -0.0041026800000000, -0.0022169300000000, -0.0013872600000000 ] - [ 0.0237882000000000, -0.0321956200000000, 0.0195588700000000 ] - [ 0.0002924100000000, 0.0101335300000000, -0.0020002400000000 ] - [ 0.0242825700000000, 0.0341592700000000, 0.0213296100000000 ] - [ -0.0158276400000000, -0.0118109500000000, -0.0097112000000000 ] - [ 0.0153047600000000, 0.0141874400000000, 0.0184883800000000 ] - [ 0.0006530100000000, -0.0074951600000000, 0.0048712700000000 ] - [ -0.0069909200000000, 0.0019172100000000, -0.0031885000000000 ] - [ 0.0015072100000000, -0.0110133500000000, -0.0044437800000000 ] - [ -0.0079007900000000, -0.0030866700000000, -0.0010215100000000 ] - [ 0.0834317100000000, -0.0004499200000000, -0.0420102800000000 ] - [ -0.0131733300000000, -0.0103129300000000, 0.0080149900000000 ] - [ -0.0116013900000000, -0.0083758700000000, 0.0091046200000000 ] - [ -0.0136362500000000, 0.0110763300000000, 0.0025147300000000 ] - [ -0.0005310700000000, -0.0075563800000000, -0.0044630600000000 ] - [ -0.0064209700000000, 0.0025464200000000, -0.0048186000000000 ] - [ 0.0000764800000000, 0.0013138200000000, 0.0009693900000000 ] - [ 0.0008247500000000, -0.0006537600000000, -0.0014788600000000 ] - [ -0.0003088900000000, 0.0001299900000000, -0.0001131800000000 ] - [ -0.0019414600000000, 0.0000878600000000, -0.0002661000000000 ] - [ 0.0000724600000000, -0.0009035700000000, 0.0001866000000000 ] - [ -0.0000337900000000, 0.0002641700000000, 0.0002314000000000 ] - [ 0.0002589300000000, 0.0001785800000000, -0.0001290400000000 ] - [ -0.0008218100000000, 0.0003666000000000, 0.0001635500000000 ] - [ 0.0007360500000000, 0.0005185900000000, 0.0001646900000000 ] - [ 0.0005022400000000, -0.0002488500000000, 0.0003027600000000 ] - [ 0.0002053800000000, -0.0000817100000000, 0.0003038000000000 ] - [ -0.0003117400000000, 0.0004078000000000, 0.0001055800000000 ] - [ 0.0003857800000000, -0.0000297800000000, 0.0002248400000000 ] - [ 0.0000243300000000, -0.0002940300000000, -0.0001059200000000 ] - [ -0.0000865900000000, -0.0002579900000000, 0.0002562800000000 ] - [ -0.0003717000000000, -0.0007697100000000, 0.0001502600000000 ] - [ -0.0006904900000000, -0.0000657800000000, 0.0006538300000000 ] - [ -0.0002082600000000, -0.0006029800000000, -0.0013365000000000 ] - [ -0.0002275700000000, -0.0001921300000000, 0.0007194300000000 ] - [ 0.0008315600000000, 0.0014271600000000, -0.0004276600000000 ] - [ 0.0002293200000000, -0.0002373300000000, -0.0000872200000000 ] - [ 0.0011336200000000, 0.0005083600000000, 0.0005274800000000 ] - [ -0.0003237900000000, -0.0000718100000000, -0.0000714100000000 ] - [ 0.0000971400000000, 0.0003215300000000, -0.0000621000000000 ] - [ -0.0000120800000000, -0.0002697700000000, -0.0002759700000000 ] - [ 0.0002262100000000, 0.0001340000000000, -0.0002450100000000 ] - [ 0.0000588000000000, -0.0003042500000000, -0.0001961800000000 ] - [ -0.0002260800000000, 0.0001426600000000, -0.0002693800000000 ] - [ 0.0005678100000000, -0.0016841300000000, 0.0007509500000000 ] - [ -0.0003821000000000, 0.0002001800000000, 0.0006060600000000 ] - [ 0.0004742300000000, 0.0005813600000000, -0.0000592800000000 ] - [ -0.0002036000000000, 0.0011167500000000, 0.0002770500000000 ] - [ -0.0000438100000000, 0.0006130400000000, -0.0005121100000000 ] - [ 0.0003921800000000, -0.0000707900000000, 0.0003848000000000 ] - [ -0.0004333500000000, 0.0003768400000000, -0.0001666900000000 ] - [ -0.0001261700000000, 0.0004388300000000, 0.0003811900000000 ] - [ 0.0002677400000000, 0.0000571800000000, 0.0000542700000000 ] - [ -0.0004107900000000, -0.0004416200000000, -0.0000916700000000 ] - [ -0.0004471400000000, -0.0000537900000000, 0.0000604000000000 ] - [ -0.0005788400000000, -0.0000383500000000, 0.0001488700000000 ] - [ 0.0003443800000000, -0.0004704000000000, 0.0001165300000000 ] - [ -0.0001367100000000, -0.0005402800000000, -0.0001779700000000 ] - [ -0.0002990400000000, -0.0003449200000000, 0.0003403400000000 ] - [ 0.0002657300000000, 0.0005207100000000, 0.0001070100000000 ] - [ 0.0008186700000000, 0.0006437900000000, -0.0015417300000000 ] - [ 0.0005126100000000, 0.0001490100000000, -0.0001660000000000 ] - [ -0.0017469900000000, 0.0000835700000000, 0.0004727000000000 ] - [ 0.0003085900000000, -0.0009031100000000, 0.0008492200000000 ]- atom: 10 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0008937000000000, 0.0012966500000000, 0.0000538000000000 ] - [ -0.0031444800000000, -0.0004158000000000, -0.0000635600000000 ] - [ 0.0080674500000000, 0.0000714900000000, 0.0000357600000000 ] - [ -0.0000585800000000, -0.0000609400000000, -0.0000603100000000 ] - [ -0.0000057700000000, -0.0000021900000000, 0.0000558700000000 ] - [ 0.0001603700000000, 0.0000194700000000, -0.0000597000000000 ] - [ -0.0189816300000000, -0.0018993200000000, -0.0000950500000000 ] - [ 0.0012918300000000, -0.0000069900000000, -0.0000558800000000 ] - [ -0.0003472300000000, 0.0000469700000000, -0.0000519000000000 ] - [ 0.2767087900000000, 0.0004434700000000, 0.0002600400000000 ] - [ -0.0051106800000000, 0.0063953200000000, 0.0000570700000000 ] - [ -0.0051866300000000, -0.0063230900000000, 0.0002724100000000 ] - [ -0.0001894200000000, -0.0000339500000000, -0.0001730300000000 ] - [ -0.0000153200000000, -0.0000045600000000, 0.0000421700000000 ] - [ -0.0046215700000000, -0.0065232100000000, 0.0002819600000000 ] - [ -0.0001864600000000, 0.0000378000000000, -0.0001710800000000 ] - [ 0.0108917500000000, -0.0004217100000000, 0.0000420200000000 ] - [ 0.0000391200000000, 0.0000078700000000, 0.0002881300000000 ] - [ -0.0180245600000000, 0.0306168000000000, -0.0041313600000000 ] - [ -0.0626684300000000, -0.0083491400000000, 0.0060656500000000 ] - [ -0.0077743300000000, -0.0264290600000000, -0.0020796900000000 ] - [ -0.0083375300000000, 0.0172129100000000, -0.0217937100000000 ] - [ -0.0102879300000000, -0.0175115600000000, -0.0219952200000000 ] - [ -0.0392244700000000, 0.0010462900000000, 0.0431051500000000 ] - [ 0.0004787000000000, 0.0001798900000000, -0.0000662400000000 ] - [ -0.0000985600000000, -0.0005330400000000, -0.0001497500000000 ] - [ -0.0003982700000000, 0.0003587000000000, -0.0001435500000000 ] - [ 0.0009021200000000, -0.0012751400000000, -0.0005775800000000 ] - [ -0.0016011500000000, 0.0006800300000000, -0.0012691100000000 ] - [ 0.0014186000000000, 0.0013698100000000, 0.0012228100000000 ] - [ 0.0009568500000000, -0.0008596800000000, 0.0006447200000000 ] - [ 0.0004496400000000, 0.0006180800000000, -0.0008187900000000 ] - [ -0.0017694200000000, 0.0004658100000000, -0.0001863400000000 ] - [ 0.0001152100000000, 0.0000887000000000, -0.0001440100000000 ] - [ -0.0001303700000000, 0.0000776500000000, -0.0002168800000000 ] - [ 0.0000385400000000, -0.0001948500000000, -0.0002314600000000 ] - [ -0.0032977500000000, -0.0010846500000000, -0.0176162900000000 ] - [ -0.0019572500000000, 0.0011165700000000, 0.0084979800000000 ] - [ -0.0200549600000000, 0.0174852500000000, -0.0232651800000000 ] - [ -0.0014055900000000, -0.0007317700000000, 0.0083303600000000 ] - [ -0.0008317500000000, -0.0111660700000000, -0.0004543900000000 ] - [ 0.0114925500000000, -0.0048684000000000, -0.0050928000000000 ] - [ -0.0463772900000000, -0.0021631200000000, 0.0431335400000000 ] - [ 0.0123974000000000, -0.0083825800000000, -0.0007835100000000 ] - [ 0.0056084400000000, 0.0032478300000000, 0.0017119700000000 ] - [ -0.0228785200000000, 0.0327290000000000, -0.0193278600000000 ] - [ -0.0010969600000000, -0.0093204400000000, 0.0016552900000000 ] - [ -0.0245476400000000, -0.0341400400000000, -0.0211840900000000 ] - [ 0.0165142500000000, 0.0118567000000000, 0.0102172700000000 ] - [ -0.0153941200000000, -0.0145880400000000, -0.0185223200000000 ] - [ -0.0009908300000000, 0.0070459000000000, -0.0044119100000000 ] - [ 0.0057896300000000, -0.0020055900000000, 0.0034399400000000 ] - [ -0.0008497000000000, 0.0100217600000000, 0.0046781400000000 ] - [ 0.0076108300000000, 0.0020069100000000, 0.0006835300000000 ] - [ -0.0797468600000000, -0.0002617100000000, 0.0394392600000000 ] - [ 0.0136519700000000, 0.0113515300000000, -0.0077345400000000 ] - [ 0.0120238500000000, 0.0078730200000000, -0.0092402600000000 ] - [ 0.0146870300000000, -0.0107446900000000, -0.0028431100000000 ] - [ -0.0001204200000000, 0.0074666500000000, 0.0043650300000000 ] - [ 0.0066568900000000, -0.0019224400000000, 0.0046967100000000 ] - [ -0.0000800500000000, -0.0018518200000000, -0.0014845300000000 ] - [ -0.0003602400000000, 0.0009123700000000, 0.0009662400000000 ] - [ -0.0002643300000000, 0.0001296300000000, -0.0001196200000000 ] - [ 0.0014863200000000, 0.0001786400000000, -0.0002584700000000 ] - [ 0.0000915500000000, -0.0008912500000000, 0.0001567600000000 ] - [ -0.0002250800000000, 0.0002812500000000, 0.0002485100000000 ] - [ 0.0002515200000000, 0.0001865000000000, -0.0001041400000000 ] - [ -0.0008211300000000, 0.0003973100000000, 0.0001798700000000 ] - [ 0.0007290900000000, 0.0005243900000000, 0.0001772900000000 ] - [ 0.0003590400000000, 0.0000588400000000, 0.0004514400000000 ] - [ -0.0010186100000000, 0.0008387400000000, -0.0006377700000000 ] - [ 0.0000444500000000, 0.0004313100000000, 0.0006435300000000 ] - [ 0.0002115200000000, -0.0000244700000000, 0.0002506500000000 ] - [ 0.0000368900000000, -0.0003326800000000, -0.0001265800000000 ] - [ -0.0002594600000000, -0.0002334200000000, 0.0002168700000000 ] - [ -0.0007911300000000, 0.0006860300000000, 0.0001024300000000 ] - [ 0.0013454500000000, -0.0008871900000000, -0.0004030500000000 ] - [ -0.0000373300000000, -0.0004772800000000, 0.0010004500000000 ] - [ -0.0003673700000000, -0.0004605000000000, 0.0000337500000000 ] - [ -0.0003309300000000, -0.0003818200000000, 0.0006773800000000 ] - [ 0.0002260300000000, -0.0002458000000000, -0.0000613100000000 ] - [ -0.0000823500000000, -0.0001758300000000, -0.0008628700000000 ] - [ -0.0003247100000000, -0.0000790500000000, -0.0000735900000000 ] - [ 0.0000914900000000, 0.0003158200000000, -0.0000889900000000 ] - [ 0.0000012000000000, -0.0002632500000000, -0.0002488700000000 ] - [ 0.0002443600000000, 0.0001194700000000, -0.0002843000000000 ] - [ -0.0006342400000000, 0.0005687100000000, -0.0000369300000000 ] - [ -0.0002292400000000, 0.0001326500000000, -0.0002565400000000 ] - [ -0.0003979800000000, -0.0001099500000000, -0.0004051000000000 ] - [ 0.0001186600000000, 0.0003448800000000, -0.0001211000000000 ] - [ 0.0000312600000000, -0.0002151000000000, -0.0001718200000000 ] - [ -0.0014355200000000, -0.0003585000000000, 0.0000660000000000 ] - [ 0.0014971400000000, 0.0004317600000000, 0.0008537000000000 ] - [ 0.0004629100000000, -0.0001062200000000, 0.0003520700000000 ] - [ -0.0003780600000000, 0.0003818800000000, -0.0001721000000000 ] - [ -0.0001484500000000, 0.0003902200000000, 0.0003557200000000 ] - [ 0.0003317800000000, -0.0001059500000000, 0.0004251600000000 ] - [ 0.0004679600000000, -0.0001843800000000, -0.0001398300000000 ] - [ 0.0001013400000000, -0.0004413100000000, 0.0004168300000000 ] - [ -0.0005890300000000, -0.0000475800000000, 0.0001009500000000 ] - [ 0.0003097200000000, -0.0004852400000000, 0.0001323900000000 ] - [ -0.0001175000000000, -0.0005431600000000, -0.0001610200000000 ] - [ -0.0002850400000000, -0.0003080400000000, 0.0003996200000000 ] - [ 0.0002400500000000, 0.0005298900000000, 0.0001397000000000 ] - [ -0.0003622500000000, -0.0011255800000000, 0.0013901500000000 ] - [ 0.0005444100000000, 0.0001804400000000, -0.0001741200000000 ] - [ 0.0010925400000000, -0.0002321500000000, -0.0006104800000000 ] - [ -0.0001223300000000, 0.0015357300000000, -0.0010004100000000 ]- atom: 10 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0008751300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0088936600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0170416000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0021597900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0028279800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0024869400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0402782500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0111970500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0097725200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.3125871600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000529200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0053305200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0065723500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0078910700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0043644400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0065772600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0140672800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0083184000000000 ] - [ 0.0268023600000000, -0.0259658600000000, -0.0185092100000000 ] - [ -0.0358882800000000, -0.0102286000000000, -0.0185092100000000 ] - [ 0.0090859100000000, 0.0361944600000000, -0.0185092100000000 ] - [ 0.0111371900000000, -0.0291838100000000, 0.0237414800000000 ] - [ 0.0197053300000000, 0.0242369900000000, 0.0237414800000000 ] - [ -0.0308425200000000, 0.0049468200000000, 0.0237414800000000 ] - [ -0.0005262900000000, -0.0013072000000000, 0.0066115400000000 ] - [ -0.0008689200000000, 0.0011093800000000, 0.0066115400000000 ] - [ 0.0013952100000000, 0.0001978200000000, 0.0066115400000000 ] - [ 0.0005335400000000, -0.0004464600000000, 0.0049289000000000 ] - [ 0.0001198800000000, 0.0006852900000000, 0.0049289000000000 ] - [ -0.0006534100000000, -0.0002388300000000, 0.0049289000000000 ] - [ -0.0005917800000000, -0.0023264800000000, 0.0061669900000000 ] - [ -0.0017189000000000, 0.0016757400000000, 0.0061669900000000 ] - [ 0.0023106800000000, 0.0006507400000000, 0.0061669900000000 ] - [ 0.0014979600000000, 0.0017281800000000, 0.0058316100000000 ] - [ -0.0022456300000000, 0.0004331800000000, 0.0058316100000000 ] - [ 0.0007476700000000, -0.0021613600000000, 0.0058316100000000 ] - [ 0.0030942600000000, -0.0010583400000000, -0.0063787300000000 ] - [ -0.0006305800000000, 0.0032088800000000, -0.0063787300000000 ] - [ 0.0188401500000000, -0.0306655100000000, 0.0537105800000000 ] - [ -0.0024636800000000, -0.0021505400000000, -0.0063787300000000 ] - [ -0.0013377300000000, 0.0076062400000000, 0.0051055200000000 ] - [ -0.0160200400000000, 0.0034867300000000, 0.0190183000000000 ] - [ -0.0359771800000000, -0.0009833000000000, 0.0537105800000000 ] - [ 0.0072560600000000, -0.0026446100000000, 0.0051055200000000 ] - [ -0.0059183300000000, -0.0049616300000000, 0.0051055200000000 ] - [ 0.0232196400000000, -0.0392677800000000, 0.0348019100000000 ] - [ 0.0035596900000000, 0.0143225400000000, 0.0035844400000000 ] - [ 0.0223970700000000, 0.0397426900000000, 0.0348019100000000 ] - [ 0.0110296200000000, 0.0121304000000000, 0.0190183000000000 ] - [ 0.0171370300000000, 0.0316488000000000, 0.0537105800000000 ] - [ 0.0049904300000000, -0.0156171300000000, 0.0190183000000000 ] - [ -0.0067443800000000, 0.0035193500000000, -0.0022182400000000 ] - [ 0.0003243500000000, -0.0076004800000000, -0.0022182400000000 ] - [ -0.0141835300000000, -0.0040784900000000, 0.0035844400000000 ] - [ -0.0456167100000000, -0.0004749100000000, 0.0348019100000000 ] - [ 0.0064200300000000, 0.0040811300000000, -0.0022182400000000 ] - [ 0.0065789400000000, 0.0025302600000000, -0.0009057000000000 ] - [ 0.0106238400000000, -0.0102440500000000, 0.0035844400000000 ] - [ -0.0010982000000000, -0.0069626600000000, -0.0009057000000000 ] - [ -0.0054807400000000, 0.0044324000000000, -0.0009057000000000 ] - [ 0.0000602000000000, -0.0006876900000000, -0.0022898900000000 ] - [ 0.0005654500000000, 0.0003959800000000, -0.0022898900000000 ] - [ -0.0005183300000000, 0.0008064300000000, -0.0023949500000000 ] - [ -0.0006256600000000, 0.0002917100000000, -0.0022898900000000 ] - [ 0.0006700700000000, 0.0000380400000000, -0.0021901700000000 ] - [ 0.0028659800000000, 0.0004332400000000, -0.0040413800000000 ] - [ 0.0009575500000000, 0.0000456700000000, -0.0023949500000000 ] - [ -0.0003020900000000, -0.0005993200000000, -0.0021901700000000 ] - [ -0.0003679800000000, 0.0005612800000000, -0.0021901700000000 ] - [ -0.0003191600000000, 0.0012346600000000, -0.0027744000000000 ] - [ -0.0007693600000000, -0.0001926200000000, -0.0041011400000000 ] - [ -0.0009096600000000, -0.0008937300000000, -0.0027744000000000 ] - [ -0.0010578000000000, -0.0026986300000000, -0.0040413800000000 ] - [ -0.0004392300000000, -0.0008521000000000, -0.0023949500000000 ] - [ -0.0018081900000000, 0.0022654000000000, -0.0040413800000000 ] - [ -0.0012329500000000, -0.0000111500000000, -0.0016475700000000 ] - [ 0.0006261300000000, -0.0010621900000000, -0.0016475700000000 ] - [ 0.0005514900000000, -0.0005699700000000, -0.0041011400000000 ] - [ 0.0012288300000000, -0.0003409300000000, -0.0027744000000000 ] - [ 0.0006068200000000, 0.0010733400000000, -0.0016475700000000 ] - [ 0.0011223500000000, 0.0009427000000000, -0.0040638900000000 ] - [ 0.0002178700000000, 0.0007625900000000, -0.0041011400000000 ] - [ 0.0002552200000000, -0.0014433300000000, -0.0040638900000000 ] - [ -0.0013775700000000, 0.0005006400000000, -0.0040638900000000 ] - [ -0.0017772400000000, -0.0001230200000000, -0.0041731000000000 ] - [ 0.0009951600000000, -0.0014776300000000, -0.0041731000000000 ] - [ -0.0006973500000000, 0.0012297500000000, -0.0020873300000000 ] - [ 0.0007820800000000, 0.0016006400000000, -0.0041731000000000 ] - [ 0.0009170400000000, 0.0004991300000000, -0.0024960900000000 ] - [ 0.0026201800000000, 0.0005611100000000, -0.0037168300000000 ] - [ 0.0014136600000000, -0.0000109500000000, -0.0020873300000000 ] - [ -0.0000262600000000, -0.0010437400000000, -0.0024960900000000 ] - [ -0.0008907800000000, 0.0005446100000000, -0.0024960900000000 ] - [ -0.0004154300000000, 0.0009762300000000, -0.0030107000000000 ] - [ -0.0013015600000000, -0.0014995400000000, -0.0031653100000000 ] - [ -0.0006377200000000, -0.0008478900000000, -0.0030107000000000 ] - [ -0.0008241600000000, -0.0025497000000000, -0.0037168300000000 ] - [ -0.0007163200000000, -0.0012187900000000, -0.0020873300000000 ] - [ -0.0017960200000000, 0.0019885900000000, -0.0037168300000000 ] - [ -0.0017069800000000, -0.0002396300000000, -0.0021898200000000 ] - [ 0.0010610200000000, -0.0013584700000000, -0.0021898200000000 ] - [ 0.0019494200000000, -0.0003774100000000, -0.0031653100000000 ] - [ 0.0010531500000000, -0.0001283400000000, -0.0030107000000000 ] - [ 0.0006459600000000, 0.0015981100000000, -0.0021898200000000 ] - [ 0.0013626000000000, 0.0007236300000000, -0.0037035900000000 ] - [ -0.0006478600000000, 0.0018769500000000, -0.0031653100000000 ] - [ -0.0000546200000000, -0.0015418600000000, -0.0037035900000000 ] - [ -0.0013079800000000, 0.0008182300000000, -0.0037035900000000 ]- atom: 10 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0007540200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0087676900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0166911000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0022831500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0027150000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0026075200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0401462200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0112747400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0098624800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.3099555400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001013300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0047391300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0069205700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0078009500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0038412500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0069163800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0140469800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0077462600000000 ] - [ -0.0257661600000000, 0.0262815800000000, 0.0182173700000000 ] - [ 0.0356435900000000, 0.0091733600000000, 0.0182173700000000 ] - [ -0.0098774300000000, -0.0354549400000000, 0.0182173700000000 ] - [ -0.0109541800000000, 0.0295456400000000, -0.0240566000000000 ] - [ -0.0201101900000000, -0.0242594200000000, -0.0240566000000000 ] - [ 0.0310643600000000, -0.0052862200000000, -0.0240566000000000 ] - [ 0.0015221800000000, 0.0016569500000000, -0.0068478800000000 ] - [ 0.0006738700000000, -0.0021467300000000, -0.0068478800000000 ] - [ -0.0021960500000000, 0.0004897700000000, -0.0068478800000000 ] - [ -0.0002794000000000, 0.0006295800000000, -0.0053502400000000 ] - [ -0.0004055300000000, -0.0005567500000000, -0.0053502400000000 ] - [ 0.0006849300000000, -0.0000728200000000, -0.0053502400000000 ] - [ 0.0015888800000000, 0.0026792100000000, -0.0063949200000000 ] - [ 0.0015258200000000, -0.0027156200000000, -0.0063949200000000 ] - [ -0.0031147100000000, 0.0000364100000000, -0.0063949200000000 ] - [ -0.0012302200000000, -0.0015321300000000, -0.0062225200000000 ] - [ 0.0019419700000000, -0.0002993300000000, -0.0062225200000000 ] - [ -0.0007117600000000, 0.0018314600000000, -0.0062225200000000 ] - [ -0.0031532100000000, 0.0005248200000000, 0.0058265700000000 ] - [ 0.0011221000000000, -0.0029931700000000, 0.0058265700000000 ] - [ -0.0182167900000000, 0.0291923000000000, -0.0527489800000000 ] - [ 0.0020311100000000, 0.0024683500000000, 0.0058265700000000 ] - [ 0.0014952300000000, -0.0093997100000000, -0.0047596900000000 ] - [ 0.0157183600000000, -0.0029317800000000, -0.0185038700000000 ] - [ 0.0343896700000000, 0.0011800500000000, -0.0527489800000000 ] - [ -0.0088880000000000, 0.0034049500000000, -0.0047596900000000 ] - [ 0.0073927800000000, 0.0059947600000000, -0.0047596900000000 ] - [ -0.0231917800000000, 0.0405710100000000, -0.0345601900000000 ] - [ -0.0043678700000000, -0.0135552600000000, -0.0039512900000000 ] - [ -0.0235396400000000, -0.0403701800000000, -0.0345601900000000 ] - [ -0.0103981700000000, -0.0121466100000000, -0.0185038700000000 ] - [ -0.0161728800000000, -0.0303723500000000, -0.0527489800000000 ] - [ -0.0053201900000000, 0.0150783900000000, -0.0185038700000000 ] - [ 0.0055664200000000, -0.0036067300000000, 0.0024380800000000 ] - [ 0.0003403100000000, 0.0066240300000000, 0.0024380800000000 ] - [ 0.0139231300000000, 0.0029949400000000, -0.0039512900000000 ] - [ 0.0467314200000000, -0.0002008400000000, -0.0345601900000000 ] - [ -0.0059067300000000, -0.0030173000000000, 0.0024380800000000 ] - [ -0.0061517200000000, -0.0030470500000000, 0.0008232600000000 ] - [ -0.0095552600000000, 0.0105603200000000, -0.0039512900000000 ] - [ 0.0004370400000000, 0.0068510700000000, 0.0008232600000000 ] - [ 0.0057146900000000, -0.0038040200000000, 0.0008232600000000 ] - [ -0.0000514700000000, 0.0001497600000000, 0.0017841000000000 ] - [ -0.0001039600000000, -0.0001194600000000, 0.0017841000000000 ] - [ -0.0000548900000000, -0.0005445200000000, 0.0021641900000000 ] - [ 0.0001554300000000, -0.0000303000000000, 0.0017841000000000 ] - [ -0.0005033400000000, -0.0018346800000000, 0.0025277900000000 ] - [ -0.0031049300000000, 0.0001112000000000, 0.0045024700000000 ] - [ -0.0004441300000000, 0.0003198000000000, 0.0021641900000000 ] - [ -0.0013372100000000, 0.0013532400000000, 0.0025277900000000 ] - [ 0.0018405500000000, 0.0004814400000000, 0.0025277900000000 ] - [ 0.0011796900000000, -0.0014192700000000, 0.0035277200000000 ] - [ -0.0000327800000000, 0.0009688700000000, 0.0037559900000000 ] - [ 0.0006392800000000, 0.0017312800000000, 0.0035277200000000 ] - [ 0.0016487700000000, 0.0026333500000000, 0.0045024700000000 ] - [ 0.0004990100000000, 0.0002247300000000, 0.0021641900000000 ] - [ 0.0014561600000000, -0.0027445500000000, 0.0045024700000000 ] - [ 0.0000872500000000, -0.0000736500000000, 0.0019029700000000 ] - [ 0.0000201600000000, 0.0001123900000000, 0.0019029700000000 ] - [ -0.0008226800000000, -0.0005128200000000, 0.0037559900000000 ] - [ -0.0018189700000000, -0.0003120000000000, 0.0035277200000000 ] - [ -0.0001074100000000, -0.0000387400000000, 0.0019029700000000 ] - [ -0.0006670600000000, -0.0014289900000000, 0.0039238300000000 ] - [ 0.0008554600000000, -0.0004560500000000, 0.0037559900000000 ] - [ -0.0009040100000000, 0.0012921900000000, 0.0039238300000000 ] - [ 0.0015710700000000, 0.0001368000000000, 0.0039238300000000 ] - [ 0.0017668600000000, -0.0004109500000000, 0.0036411500000000 ] - [ -0.0005275400000000, 0.0017356200000000, 0.0036411500000000 ] - [ 0.0001262200000000, -0.0009724700000000, 0.0018535800000000 ] - [ -0.0012393200000000, -0.0013246700000000, 0.0036411500000000 ] - [ -0.0007490800000000, -0.0022940600000000, 0.0028355700000000 ] - [ -0.0028660000000000, -0.0000172600000000, 0.0041833300000000 ] - [ -0.0009052900000000, 0.0003769200000000, 0.0018535800000000 ] - [ -0.0016121800000000, 0.0017957600000000, 0.0028355700000000 ] - [ 0.0023612600000000, 0.0004983100000000, 0.0028355700000000 ] - [ 0.0012684900000000, -0.0011512100000000, 0.0037463200000000 ] - [ 0.0004921500000000, 0.0022641300000000, 0.0028303500000000 ] - [ 0.0003627300000000, 0.0016741500000000, 0.0037463200000000 ] - [ 0.0014180500000000, 0.0024906600000000, 0.0041833300000000 ] - [ 0.0007790700000000, 0.0005955500000000, 0.0018535800000000 ] - [ 0.0014479500000000, -0.0024734000000000, 0.0041833300000000 ] - [ 0.0005490400000000, 0.0001531900000000, 0.0024365500000000 ] - [ -0.0004071900000000, 0.0003988900000000, 0.0024365500000000 ] - [ -0.0022068700000000, -0.0007058600000000, 0.0028303500000000 ] - [ -0.0016312200000000, -0.0005229400000000, 0.0037463200000000 ] - [ -0.0001418500000000, -0.0005520800000000, 0.0024365500000000 ] - [ -0.0009055800000000, -0.0012013400000000, 0.0035512500000000 ] - [ 0.0017147200000000, -0.0015582800000000, 0.0028303500000000 ] - [ -0.0005876000000000, 0.0013849300000000, 0.0035512500000000 ] - [ 0.0014931800000000, -0.0001835900000000, 0.0035512500000000 ]- atom: 11 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000379800000000, 0.0000305700000000, 0.0000550300000000 ] - [ -0.0094138200000000, 0.0000055000000000, -0.0000351900000000 ] - [ 0.0031313600000000, -0.0005395600000000, 0.0000602900000000 ] - [ 0.0010759800000000, 0.0014587900000000, -0.0000575100000000 ] - [ -0.0001548000000000, -0.0000066800000000, 0.0000556100000000 ] - [ 0.0000079500000000, 0.0000019500000000, -0.0000594200000000 ] - [ 0.0082444400000000, -0.0099426900000000, -0.0000459400000000 ] - [ 0.0073166400000000, -0.0088000100000000, -0.0000561600000000 ] - [ -0.0000796000000000, 0.0000107500000000, -0.0000522700000000 ] - [ 0.0051012800000000, 0.0063401200000000, -0.0002019500000000 ] - [ -0.2505319000000000, -0.0001073900000000, -0.0005218100000000 ] - [ -0.0011548300000000, -0.0000713900000000, 0.0002791300000000 ] - [ -0.0109346000000000, -0.0004195500000000, -0.0001744800000000 ] - [ 0.0003101300000000, 0.0001052300000000, 0.0000423800000000 ] - [ 0.0136900800000000, 0.0002991300000000, 0.0003167300000000 ] - [ 0.0000164000000000, -0.0000042800000000, -0.0001715400000000 ] - [ 0.0003082100000000, -0.0001026300000000, 0.0000380500000000 ] - [ 0.0001172800000000, 0.0001143100000000, 0.0002862500000000 ] - [ 0.0173537400000000, 0.0316781500000000, -0.0069469000000000 ] - [ 0.0060233600000000, -0.0253075000000000, -0.0031542500000000 ] - [ 0.0597852900000000, -0.0055827700000000, 0.0093912600000000 ] - [ 0.0017367400000000, 0.0001502600000000, -0.0010907600000000 ] - [ -0.0006065700000000, -0.0013722500000000, -0.0002857400000000 ] - [ -0.0006736500000000, 0.0009221300000000, 0.0007621300000000 ] - [ 0.0002957400000000, -0.0009675900000000, 0.0001031300000000 ] - [ 0.0014681400000000, -0.0004479800000000, -0.0002875000000000 ] - [ -0.0007781900000000, 0.0013482100000000, -0.0001797100000000 ] - [ 0.0079640600000000, -0.0154931900000000, -0.0207561600000000 ] - [ 0.0093930900000000, 0.0178059000000000, -0.0246623000000000 ] - [ 0.0376777800000000, -0.0006200700000000, 0.0448506600000000 ] - [ 0.0005858600000000, 0.0001513500000000, 0.0000152000000000 ] - [ -0.0000686500000000, -0.0004641800000000, -0.0001906200000000 ] - [ -0.0004037000000000, 0.0003030200000000, -0.0001849600000000 ] - [ 0.0001170800000000, 0.0001158000000000, -0.0002077100000000 ] - [ -0.0001300800000000, 0.0000287600000000, -0.0001325500000000 ] - [ -0.0000267500000000, -0.0002046500000000, -0.0002524500000000 ] - [ -0.0002360500000000, -0.0003197200000000, -0.0006984800000000 ] - [ -0.0000636300000000, 0.0003576700000000, 0.0001089800000000 ] - [ 0.0017127800000000, -0.0106614800000000, -0.0003761000000000 ] - [ -0.0002459400000000, 0.0002820500000000, -0.0001881500000000 ] - [ 0.0197417800000000, 0.0119729600000000, -0.0204631000000000 ] - [ -0.0094425900000000, -0.0019631800000000, 0.0068694000000000 ] - [ -0.0036106800000000, 0.0029091100000000, 0.0017074900000000 ] - [ 0.0117672300000000, -0.0082477300000000, -0.0124833500000000 ] - [ 0.0341164700000000, -0.0033203400000000, 0.0320356700000000 ] - [ -0.0011982400000000, 0.0002109600000000, 0.0001362000000000 ] - [ -0.0013339900000000, 0.0005985000000000, -0.0003445600000000 ] - [ 0.0004013400000000, 0.0012845600000000, 0.0014950400000000 ] - [ 0.0004966100000000, 0.0076812500000000, 0.0046681900000000 ] - [ -0.0126201900000000, -0.0094457800000000, -0.0016211300000000 ] - [ -0.0133902500000000, 0.0107405600000000, -0.0108006000000000 ] - [ -0.0008023500000000, 0.0001074600000000, 0.0011732400000000 ] - [ 0.0009452800000000, 0.0000925400000000, -0.0002668100000000 ] - [ -0.0003833700000000, 0.0001922500000000, -0.0001921200000000 ] - [ -0.0003607200000000, -0.0016135500000000, -0.0004985600000000 ] - [ 0.0008073100000000, 0.0001526900000000, -0.0005273400000000 ] - [ 0.0014840400000000, 0.0061823000000000, -0.0046769400000000 ] - [ 0.0003706600000000, 0.0000708700000000, 0.0000260000000000 ] - [ -0.0148187200000000, 0.0079820000000000, 0.0070038500000000 ] - [ -0.0079486800000000, -0.0061116800000000, -0.0024724000000000 ] - [ 0.0744829800000000, -0.0054325300000000, 0.0338326600000000 ] - [ 0.0192346000000000, -0.0267367800000000, -0.0148999000000000 ] - [ 0.0002323900000000, 0.0010057900000000, -0.0006720300000000 ] - [ 0.0262384500000000, 0.0298979400000000, -0.0176501300000000 ] - [ 0.0001878700000000, -0.0006423800000000, 0.0004562600000000 ] - [ -0.0009270700000000, 0.0011096900000000, 0.0003760100000000 ] - [ -0.0003997700000000, 0.0002009300000000, 0.0007186600000000 ] - [ -0.0013276900000000, 0.0005509500000000, 0.0000930900000000 ] - [ 0.0006105500000000, 0.0002026900000000, -0.0000349100000000 ] - [ 0.0021369100000000, -0.0010298800000000, 0.0081288800000000 ] - [ 0.0005425400000000, 0.0107001800000000, 0.0053592600000000 ] - [ 0.0020294300000000, 0.0012106900000000, 0.0096893200000000 ] - [ -0.0005850200000000, 0.0002143000000000, 0.0002240100000000 ] - [ 0.0007060400000000, -0.0008827500000000, -0.0003932500000000 ] - [ -0.0004902000000000, 0.0002060900000000, 0.0001251900000000 ] - [ -0.0050062300000000, 0.0019056700000000, 0.0022670100000000 ] - [ 0.0015898800000000, -0.0109902700000000, 0.0036760700000000 ] - [ -0.0081237300000000, -0.0031172100000000, 0.0047504900000000 ] - [ 0.0031366000000000, -0.0007897900000000, -0.0166912100000000 ] - [ -0.0120935700000000, -0.0086361800000000, -0.0055616700000000 ] - [ -0.0000138200000000, -0.0004111600000000, 0.0001216400000000 ] - [ -0.0141388200000000, 0.0117583600000000, -0.0106007600000000 ] - [ -0.0002806000000000, -0.0002850000000000, -0.0001307400000000 ] - [ 0.0000282700000000, 0.0003758600000000, -0.0002121700000000 ] - [ 0.0000037100000000, -0.0002493900000000, -0.0002048700000000 ] - [ 0.0002315500000000, 0.0001018400000000, -0.0002753500000000 ] - [ -0.0003269300000000, 0.0001622700000000, -0.0001335300000000 ] - [ -0.0002619100000000, 0.0001440900000000, -0.0003075500000000 ] - [ 0.0000383400000000, -0.0008973300000000, 0.0001511700000000 ] - [ -0.0001044400000000, 0.0002721700000000, 0.0001906900000000 ] - [ 0.0002460400000000, 0.0001711000000000, -0.0001090600000000 ] - [ -0.0008272800000000, 0.0003312600000000, 0.0001695500000000 ] - [ 0.0007414900000000, 0.0005320400000000, 0.0001953500000000 ] - [ 0.0004312200000000, -0.0000945300000000, 0.0003756200000000 ] - [ -0.0003874300000000, 0.0003714600000000, -0.0001558500000000 ] - [ -0.0001461000000000, 0.0004105700000000, 0.0003469100000000 ] - [ 0.0003079400000000, -0.0000230800000000, 0.0002596600000000 ] - [ 0.0000436000000000, -0.0002739800000000, -0.0001034900000000 ] - [ -0.0001560900000000, -0.0002638500000000, 0.0002721400000000 ] - [ -0.0005858800000000, -0.0000552700000000, 0.0001291900000000 ] - [ 0.0003014700000000, -0.0004582300000000, 0.0001317000000000 ] - [ -0.0001153800000000, -0.0005396100000000, -0.0002004300000000 ] - [ -0.0002914500000000, -0.0003212600000000, 0.0003850200000000 ] - [ 0.0002676500000000, 0.0005498000000000, 0.0001142400000000 ] - [ 0.0002777700000000, -0.0003110500000000, 0.0000008200000000 ] - [ 0.0005527800000000, 0.0001661000000000, -0.0001497400000000 ] - [ -0.0002444500000000, -0.0000048700000000, 0.0000193200000000 ] - [ 0.0000442100000000, 0.0003447400000000, -0.0002356900000000 ]- atom: 11 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000389900000000, -0.0000304400000000, 0.0000548700000000 ] - [ 0.0094286800000000, -0.0000115000000000, -0.0000352400000000 ] - [ -0.0031309800000000, 0.0005121800000000, 0.0000603200000000 ] - [ -0.0010731600000000, -0.0014524500000000, -0.0000574600000000 ] - [ 0.0001529200000000, 0.0000065800000000, 0.0000555800000000 ] - [ -0.0000088200000000, -0.0000016100000000, -0.0000592000000000 ] - [ -0.0082437400000000, 0.0099775100000000, -0.0000457100000000 ] - [ -0.0073098000000000, 0.0087657700000000, -0.0000556300000000 ] - [ 0.0000767600000000, -0.0000065200000000, -0.0000516000000000 ] - [ -0.0051109400000000, -0.0063911000000000, -0.0002025900000000 ] - [ 0.2486579300000000, -0.0001059300000000, -0.0004411800000000 ] - [ 0.0011537200000000, 0.0000697200000000, 0.0002793700000000 ] - [ 0.0108902900000000, 0.0004300900000000, -0.0001744600000000 ] - [ -0.0003088500000000, -0.0001029000000000, 0.0000434000000000 ] - [ -0.0136717200000000, -0.0001834700000000, 0.0003154200000000 ] - [ -0.0000151400000000, 0.0000065000000000, -0.0001719900000000 ] - [ -0.0003108900000000, 0.0001052700000000, 0.0000383000000000 ] - [ -0.0001165800000000, -0.0001163700000000, 0.0002857700000000 ] - [ -0.0164442100000000, -0.0312908800000000, 0.0065111800000000 ] - [ -0.0063411800000000, 0.0243197300000000, 0.0028221700000000 ] - [ -0.0608092300000000, 0.0063097100000000, -0.0100495600000000 ] - [ -0.0014729300000000, 0.0000622800000000, 0.0006758200000000 ] - [ 0.0003010800000000, 0.0014910000000000, -0.0001163300000000 ] - [ 0.0007323400000000, -0.0012580000000000, -0.0011728700000000 ] - [ 0.0007174900000000, 0.0013111800000000, -0.0003445800000000 ] - [ -0.0016508000000000, -0.0006034600000000, 0.0000451500000000 ] - [ -0.0000193700000000, -0.0006551300000000, -0.0000653300000000 ] - [ -0.0076171800000000, 0.0156859700000000, 0.0202834100000000 ] - [ -0.0096786400000000, -0.0176887500000000, 0.0242192200000000 ] - [ -0.0373896700000000, 0.0002438500000000, -0.0450720100000000 ] - [ 0.0004224100000000, 0.0001901200000000, -0.0002545700000000 ] - [ -0.0001105300000000, -0.0005777800000000, -0.0000500100000000 ] - [ -0.0003751200000000, 0.0003719800000000, -0.0000571600000000 ] - [ 0.0001536500000000, 0.0000788300000000, -0.0001849900000000 ] - [ -0.0001637500000000, 0.0000980100000000, -0.0002616500000000 ] - [ 0.0000679600000000, -0.0001297800000000, -0.0001451000000000 ] - [ 0.0002265000000000, -0.0002113800000000, 0.0001809600000000 ] - [ 0.0005329100000000, -0.0001040700000000, -0.0006286600000000 ] - [ -0.0022785500000000, 0.0109535600000000, 0.0001673100000000 ] - [ -0.0002084600000000, -0.0000088300000000, -0.0003322500000000 ] - [ -0.0193985200000000, -0.0131346800000000, 0.0201548400000000 ] - [ 0.0092125400000000, 0.0025245000000000, -0.0063757700000000 ] - [ 0.0041708700000000, -0.0025273500000000, -0.0019089000000000 ] - [ -0.0135418900000000, 0.0089204000000000, 0.0127589600000000 ] - [ -0.0347382800000000, 0.0046961900000000, -0.0338498300000000 ] - [ 0.0020625300000000, -0.0004001000000000, 0.0006269400000000 ] - [ 0.0005211600000000, 0.0001477800000000, 0.0000064900000000 ] - [ -0.0006700900000000, -0.0004456100000000, -0.0007476100000000 ] - [ 0.0001090600000000, -0.0077814200000000, -0.0042021500000000 ] - [ 0.0127019200000000, 0.0088378300000000, 0.0014534300000000 ] - [ 0.0130213200000000, -0.0112383000000000, 0.0113152300000000 ] - [ -0.0003592600000000, -0.0001961100000000, -0.0009198400000000 ] - [ -0.0002955400000000, -0.0010411800000000, 0.0005196200000000 ] - [ 0.0001411600000000, -0.0012757800000000, -0.0001494700000000 ] - [ -0.0002369800000000, 0.0009672800000000, 0.0012558100000000 ] - [ -0.0003093000000000, 0.0008935300000000, 0.0007774900000000 ] - [ -0.0010282700000000, -0.0067187700000000, 0.0045774700000000 ] - [ 0.0006796200000000, 0.0002633200000000, -0.0003687000000000 ] - [ 0.0142402100000000, -0.0081815900000000, -0.0071033400000000 ] - [ 0.0081507900000000, 0.0066974600000000, 0.0023841200000000 ] - [ -0.0704622600000000, 0.0046325100000000, -0.0313482000000000 ] - [ -0.0186762800000000, 0.0275293400000000, 0.0147521400000000 ] - [ -0.0008038300000000, -0.0007436800000000, 0.0004383000000000 ] - [ -0.0268733400000000, -0.0305820900000000, 0.0178295200000000 ] - [ -0.0000248600000000, -0.0011528800000000, -0.0001120300000000 ] - [ 0.0006588700000000, -0.0005595500000000, 0.0001089300000000 ] - [ 0.0009071300000000, 0.0001638700000000, -0.0009482200000000 ] - [ -0.0003181000000000, 0.0002146500000000, 0.0002491500000000 ] - [ 0.0008569300000000, 0.0008383300000000, 0.0003766200000000 ] - [ -0.0012781300000000, 0.0008364400000000, -0.0073357400000000 ] - [ -0.0013497100000000, -0.0098879900000000, -0.0056620700000000 ] - [ -0.0022947100000000, -0.0003711500000000, -0.0089128400000000 ] - [ 0.0011848000000000, -0.0002576400000000, 0.0002576100000000 ] - [ -0.0006419500000000, 0.0002529600000000, 0.0001617400000000 ] - [ 0.0001498100000000, -0.0007040100000000, 0.0003560300000000 ] - [ 0.0037892400000000, -0.0019959500000000, -0.0020110700000000 ] - [ -0.0009237500000000, 0.0099856600000000, -0.0034081900000000 ] - [ 0.0078370100000000, 0.0020347800000000, -0.0050771300000000 ] - [ -0.0037202800000000, 0.0001388500000000, 0.0173772100000000 ] - [ 0.0125916000000000, 0.0096936500000000, 0.0058008800000000 ] - [ 0.0004684300000000, -0.0000719200000000, -0.0002691600000000 ] - [ 0.0151868600000000, -0.0114212300000000, 0.0102494800000000 ] - [ -0.0003677000000000, 0.0001334700000000, -0.0000130200000000 ] - [ 0.0001596100000000, 0.0002616400000000, 0.0000614900000000 ] - [ -0.0000141000000000, -0.0002833900000000, -0.0003186600000000 ] - [ 0.0002388100000000, 0.0001519200000000, -0.0002529600000000 ] - [ -0.0002488500000000, 0.0001020600000000, -0.0000977300000000 ] - [ -0.0001934400000000, 0.0001307900000000, -0.0002175200000000 ] - [ 0.0001294400000000, -0.0008946500000000, 0.0001943700000000 ] - [ -0.0001588800000000, 0.0002728700000000, 0.0002948700000000 ] - [ 0.0002571200000000, 0.0001939200000000, -0.0001206800000000 ] - [ -0.0008144000000000, 0.0004255500000000, 0.0001741200000000 ] - [ 0.0007155000000000, 0.0005127300000000, 0.0001489600000000 ] - [ 0.0004240700000000, -0.0000817400000000, 0.0003619300000000 ] - [ -0.0004232400000000, 0.0003880700000000, -0.0001814100000000 ] - [ -0.0001293000000000, 0.0004182100000000, 0.0003908400000000 ] - [ 0.0002914400000000, -0.0000259600000000, 0.0002214400000000 ] - [ 0.0000163100000000, -0.0003509500000000, -0.0001274000000000 ] - [ -0.0001888500000000, -0.0002313900000000, 0.0002054400000000 ] - [ -0.0005826200000000, -0.0000303600000000, 0.0001217100000000 ] - [ 0.0003525500000000, -0.0004987100000000, 0.0001183400000000 ] - [ -0.0001408300000000, -0.0005437300000000, -0.0001370300000000 ] - [ -0.0002920700000000, -0.0003323200000000, 0.0003560400000000 ] - [ 0.0002389500000000, 0.0005017100000000, 0.0001335100000000 ] - [ 0.0001748800000000, -0.0001749400000000, -0.0001448100000000 ] - [ 0.0005050100000000, 0.0001622000000000, -0.0001886200000000 ] - [ -0.0004084700000000, -0.0001393400000000, -0.0001564000000000 ] - [ 0.0001471500000000, 0.0002925200000000, 0.0000873300000000 ]- atom: 11 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0029102400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0192212700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0092498300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013441500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0032490400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0026248600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0071581800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0072317900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0108850900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002491200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.2903451400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0103951000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0139196400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0084789700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0298251100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0076685500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0084801600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0090486000000000 ] - [ -0.0222640700000000, -0.0272332400000000, -0.0192857400000000 ] - [ -0.0124526500000000, 0.0328978700000000, -0.0192857400000000 ] - [ 0.0347167200000000, -0.0056646300000000, -0.0192857400000000 ] - [ -0.0010491900000000, 0.0018446700000000, 0.0056770000000000 ] - [ -0.0010729400000000, -0.0018309600000000, 0.0056770000000000 ] - [ 0.0021221300000000, -0.0000137100000000, 0.0056770000000000 ] - [ 0.0003942500000000, -0.0024356500000000, 0.0066675500000000 ] - [ -0.0023064600000000, 0.0008764000000000, 0.0066675500000000 ] - [ 0.0019122100000000, 0.0015592500000000, 0.0066675500000000 ] - [ -0.0162404500000000, 0.0224122800000000, 0.0219920400000000 ] - [ -0.0112893800000000, -0.0252707800000000, 0.0219920400000000 ] - [ 0.0275298200000000, 0.0028585000000000, 0.0219920400000000 ] - [ -0.0001718000000000, -0.0014752300000000, 0.0072914000000000 ] - [ -0.0011916800000000, 0.0008864000000000, 0.0072914000000000 ] - [ 0.0013634800000000, 0.0005888300000000, 0.0072914000000000 ] - [ 0.0016885400000000, 0.0018416700000000, 0.0064875100000000 ] - [ -0.0024392000000000, 0.0005414900000000, 0.0064875100000000 ] - [ 0.0007506600000000, -0.0023831600000000, 0.0064875100000000 ] - [ -0.0021116100000000, -0.0003760900000000, -0.0043331300000000 ] - [ 0.0013815100000000, -0.0016406600000000, -0.0043331300000000 ] - [ 0.0003807800000000, 0.0087238600000000, 0.0049705100000000 ] - [ 0.0007301000000000, 0.0020167500000000, -0.0043331300000000 ] - [ -0.0159072400000000, -0.0221110100000000, 0.0492414000000000 ] - [ 0.0057902700000000, 0.0046618400000000, -0.0008793900000000 ] - [ 0.0073647000000000, -0.0046916900000000, 0.0049705100000000 ] - [ -0.0111950800000000, 0.0248315800000000, 0.0492414000000000 ] - [ 0.0271023100000000, -0.0027205700000000, 0.0492414000000000 ] - [ 0.0007884500000000, -0.0000939300000000, -0.0015453300000000 ] - [ -0.0007614900000000, -0.0011069500000000, -0.0026810000000000 ] - [ -0.0003128800000000, 0.0007297900000000, -0.0015453300000000 ] - [ 0.0011421300000000, -0.0073454400000000, -0.0008793900000000 ] - [ -0.0077454700000000, -0.0040321700000000, 0.0049705100000000 ] - [ -0.0069324000000000, 0.0026836100000000, -0.0008793900000000 ] - [ -0.0001501900000000, -0.0003742300000000, -0.0033705900000000 ] - [ 0.0003991900000000, 0.0000570400000000, -0.0033705900000000 ] - [ 0.0013393900000000, -0.0001059900000000, -0.0026810000000000 ] - [ -0.0004755700000000, -0.0006358500000000, -0.0015453300000000 ] - [ -0.0002489900000000, 0.0003171900000000, -0.0033705900000000 ] - [ -0.0027855700000000, -0.0109101000000000, 0.0188743800000000 ] - [ -0.0005779100000000, 0.0012129400000000, -0.0026810000000000 ] - [ -0.0080556400000000, 0.0078674200000000, 0.0188743800000000 ] - [ 0.0108412100000000, 0.0030426800000000, 0.0188743800000000 ] - [ 0.0393364800000000, -0.0033617600000000, 0.0316317300000000 ] - [ -0.0167568700000000, 0.0357472700000000, 0.0316317300000000 ] - [ -0.0010242100000000, 0.0015286800000000, -0.0029817100000000 ] - [ -0.0225796100000000, -0.0323855100000000, 0.0316317300000000 ] - [ 0.0006819100000000, 0.0003491200000000, -0.0021763600000000 ] - [ 0.0023204300000000, 0.0007234500000000, -0.0035483100000000 ] - [ 0.0018359900000000, 0.0001226500000000, -0.0029817100000000 ] - [ -0.0000386100000000, -0.0007651100000000, -0.0021763600000000 ] - [ -0.0006433000000000, 0.0004160000000000, -0.0021763600000000 ] - [ 0.0023196900000000, -0.0022915100000000, -0.0053985900000000 ] - [ -0.0009897100000000, -0.0072234500000000, -0.0029968600000000 ] - [ 0.0008246600000000, 0.0031546600000000, -0.0053985900000000 ] - [ -0.0005336900000000, -0.0023712800000000, -0.0035483100000000 ] - [ -0.0008117700000000, -0.0016513400000000, -0.0029817100000000 ] - [ -0.0017867500000000, 0.0016478300000000, -0.0035483100000000 ] - [ 0.0091645600000000, -0.0026631200000000, 0.0009378400000000 ] - [ -0.0022759500000000, 0.0092683000000000, 0.0009378400000000 ] - [ 0.0067505500000000, 0.0027546100000000, -0.0029968600000000 ] - [ -0.0031443500000000, -0.0008631600000000, -0.0053985900000000 ] - [ -0.0068886100000000, -0.0066051800000000, 0.0009378400000000 ] - [ 0.0013837700000000, 0.0011168500000000, -0.0043242000000000 ] - [ -0.0057608400000000, 0.0044688400000000, -0.0029968600000000 ] - [ 0.0002753400000000, -0.0017568100000000, -0.0043242000000000 ] - [ -0.0016591100000000, 0.0006399600000000, -0.0043242000000000 ] - [ -0.0019052000000000, -0.0001189300000000, -0.0045504700000000 ] - [ 0.0010556000000000, -0.0015904900000000, -0.0045504700000000 ] - [ -0.0006694600000000, 0.0009813300000000, -0.0026476500000000 ] - [ 0.0008496000000000, 0.0017094200000000, -0.0045504700000000 ] - [ 0.0006186800000000, 0.0000468200000000, -0.0024543600000000 ] - [ 0.0028768700000000, 0.0004576600000000, -0.0042448000000000 ] - [ 0.0011845900000000, 0.0000891100000000, -0.0026476500000000 ] - [ -0.0002687900000000, -0.0005592000000000, -0.0024543600000000 ] - [ -0.0003498900000000, 0.0005123800000000, -0.0024543600000000 ] - [ -0.0005476400000000, 0.0011514200000000, -0.0034343000000000 ] - [ -0.0013988800000000, -0.0016736400000000, -0.0035079200000000 ] - [ -0.0007233400000000, -0.0010499800000000, -0.0034343000000000 ] - [ -0.0010420900000000, -0.0027202700000000, -0.0042448000000000 ] - [ -0.0005151300000000, -0.0010704400000000, -0.0026476500000000 ] - [ -0.0018347800000000, 0.0022626100000000, -0.0042448000000000 ] - [ -0.0018457600000000, -0.0002485600000000, -0.0024047900000000 ] - [ 0.0011381400000000, -0.0014742000000000, -0.0024047900000000 ] - [ 0.0021488500000000, -0.0003746500000000, -0.0035079200000000 ] - [ 0.0012709800000000, -0.0001014400000000, -0.0034343000000000 ] - [ 0.0007076300000000, 0.0017227500000000, -0.0024047900000000 ] - [ 0.0013282300000000, 0.0012527000000000, -0.0046546600000000 ] - [ -0.0007499700000000, 0.0020482800000000, -0.0035079200000000 ] - [ 0.0004207600000000, -0.0017766300000000, -0.0046546600000000 ] - [ -0.0017489800000000, 0.0005239300000000, -0.0046546600000000 ]- atom: 11 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0028032600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0196411500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0093745800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014715500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0031411900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0027433400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0071947400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0073790100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0109886800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000947500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.2931217900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0098679000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0141967100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0083981700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0303928400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0080234400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0083986100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0084980000000000 ] - [ 0.0232904000000000, 0.0276154000000000, 0.0189970000000000 ] - [ 0.0122704300000000, -0.0339777800000000, 0.0189970000000000 ] - [ -0.0355608400000000, 0.0063623800000000, 0.0189970000000000 ] - [ 0.0013494700000000, -0.0016265300000000, -0.0060692600000000 ] - [ 0.0007338800000000, 0.0019819400000000, -0.0060692600000000 ] - [ -0.0020833500000000, -0.0003554100000000, -0.0060692600000000 ] - [ 0.0006238500000000, 0.0027813700000000, -0.0069311300000000 ] - [ 0.0020968200000000, -0.0019309500000000, -0.0069311300000000 ] - [ -0.0027206600000000, -0.0008504200000000, -0.0069311300000000 ] - [ 0.0164363000000000, -0.0220500500000000, -0.0224992500000000 ] - [ 0.0108777500000000, 0.0252592800000000, -0.0224992500000000 ] - [ -0.0273140600000000, -0.0032092300000000, -0.0224992500000000 ] - [ 0.0011651100000000, 0.0018257300000000, -0.0075464500000000 ] - [ 0.0009985700000000, -0.0019218700000000, -0.0075464500000000 ] - [ -0.0021636800000000, 0.0000961500000000, -0.0075464500000000 ] - [ -0.0014201800000000, -0.0016424600000000, -0.0068826900000000 ] - [ 0.0021325100000000, -0.0004086800000000, -0.0068826900000000 ] - [ -0.0007123200000000, 0.0020511500000000, -0.0068826900000000 ] - [ 0.0021044300000000, -0.0001544000000000, 0.0037984600000000 ] - [ -0.0009185100000000, 0.0018996900000000, 0.0037984600000000 ] - [ -0.0009587000000000, -0.0084751800000000, -0.0051923900000000 ] - [ -0.0011859300000000, -0.0017452900000000, 0.0037984600000000 ] - [ 0.0172747500000000, 0.0218741500000000, -0.0501592200000000 ] - [ -0.0060041700000000, -0.0041065300000000, 0.0013304500000000 ] - [ -0.0068603700000000, 0.0050678500000000, -0.0051923900000000 ] - [ 0.0103061900000000, -0.0258974500000000, -0.0501592200000000 ] - [ -0.0275809500000000, 0.0040233000000000, -0.0501592200000000 ] - [ 0.0000586800000000, -0.0000837800000000, 0.0022883400000000 ] - [ -0.0000566400000000, 0.0018562500000000, 0.0023435600000000 ] - [ 0.0000432200000000, 0.0000927100000000, 0.0022883400000000 ] - [ -0.0005542800000000, 0.0072530300000000, 0.0013304500000000 ] - [ 0.0078190700000000, 0.0034073300000000, -0.0051923900000000 ] - [ 0.0065584400000000, -0.0031464900000000, 0.0013304500000000 ] - [ -0.0010173400000000, 0.0002875700000000, 0.0036341500000000 ] - [ 0.0002596300000000, -0.0010248300000000, 0.0036341500000000 ] - [ -0.0015792400000000, -0.0009771800000000, 0.0023435600000000 ] - [ -0.0001019000000000, -0.0000089300000000, 0.0022883400000000 ] - [ 0.0007577200000000, 0.0007372600000000, 0.0036341500000000 ] - [ 0.0032358800000000, 0.0104466100000000, -0.0189994500000000 ] - [ 0.0016358800000000, -0.0008790800000000, 0.0023435600000000 ] - [ 0.0074290900000000, -0.0080256600000000, -0.0189994500000000 ] - [ -0.0106649700000000, -0.0024209500000000, -0.0189994500000000 ] - [ -0.0378556500000000, 0.0027471900000000, -0.0317183400000000 ] - [ 0.0165486800000000, -0.0341575500000000, -0.0317183400000000 ] - [ 0.0004482900000000, -0.0012650900000000, 0.0027534600000000 ] - [ 0.0213069600000000, 0.0314103600000000, -0.0317183400000000 ] - [ -0.0005160600000000, -0.0021449000000000, 0.0025205600000000 ] - [ -0.0025790400000000, -0.0001772000000000, 0.0040339300000000 ] - [ -0.0013197400000000, 0.0002443100000000, 0.0027534600000000 ] - [ -0.0015995100000000, 0.0015193700000000, 0.0025205600000000 ] - [ 0.0021155600000000, 0.0006255300000000, 0.0025205600000000 ] - [ -0.0014397000000000, 0.0020635400000000, 0.0061754900000000 ] - [ 0.0001918300000000, 0.0080177300000000, 0.0027145600000000 ] - [ -0.0010672300000000, -0.0022785800000000, 0.0061754900000000 ] - [ 0.0011360600000000, 0.0023221100000000, 0.0040339300000000 ] - [ 0.0008714500000000, 0.0010207800000000, 0.0027534600000000 ] - [ 0.0014429800000000, -0.0021449100000000, 0.0040339300000000 ] - [ -0.0103327200000000, 0.0025760500000000, -0.0006536600000000 ] - [ 0.0029354400000000, -0.0102364200000000, -0.0006536600000000 ] - [ -0.0070394700000000, -0.0038427300000000, 0.0027145600000000 ] - [ 0.0025069200000000, 0.0002150400000000, 0.0061754900000000 ] - [ 0.0073972800000000, 0.0076603700000000, -0.0006536600000000 ] - [ -0.0009287100000000, -0.0016053000000000, 0.0042021900000000 ] - [ 0.0068476400000000, -0.0041749900000000, 0.0027145600000000 ] - [ -0.0009258800000000, 0.0016069400000000, 0.0042021900000000 ] - [ 0.0018545900000000, -0.0000016300000000, 0.0042021900000000 ] - [ 0.0018981900000000, -0.0004170400000000, 0.0040170100000000 ] - [ -0.0005879300000000, 0.0018524000000000, 0.0040170100000000 ] - [ 0.0001042700000000, -0.0007296000000000, 0.0024196600000000 ] - [ -0.0013102600000000, -0.0014353600000000, 0.0040170100000000 ] - [ -0.0004438200000000, -0.0018344100000000, 0.0027982100000000 ] - [ -0.0031263500000000, 0.0000863300000000, 0.0047242500000000 ] - [ -0.0006839900000000, 0.0002745000000000, 0.0024196600000000 ] - [ -0.0013667400000000, 0.0013015600000000, 0.0027982100000000 ] - [ 0.0018105500000000, 0.0005328500000000, 0.0027982100000000 ] - [ 0.0014013700000000, -0.0013275500000000, 0.0041811600000000 ] - [ 0.0005922500000000, 0.0024425300000000, 0.0031846100000000 ] - [ 0.0004490000000000, 0.0018773900000000, 0.0041811600000000 ] - [ 0.0016379400000000, 0.0026643400000000, 0.0047242500000000 ] - [ 0.0005797200000000, 0.0004551000000000, 0.0024196600000000 ] - [ 0.0014884100000000, -0.0027506700000000, 0.0047242500000000 ] - [ 0.0006972200000000, 0.0001624600000000, 0.0026535700000000 ] - [ -0.0004893000000000, 0.0005225800000000, 0.0026535700000000 ] - [ -0.0024114200000000, -0.0007083600000000, 0.0031846100000000 ] - [ -0.0018503700000000, -0.0005498500000000, 0.0041811600000000 ] - [ -0.0002079200000000, -0.0006850400000000, 0.0026535700000000 ] - [ -0.0008771300000000, -0.0017463300000000, 0.0045316300000000 ] - [ 0.0018191700000000, -0.0017341700000000, 0.0031846100000000 ] - [ -0.0010738100000000, 0.0016327800000000, 0.0045316300000000 ] - [ 0.0019509300000000, 0.0001135500000000, 0.0045316300000000 ]- atom: 12 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0029630200000000, -0.0004384500000000, 0.0000510700000000 ] - [ -0.0094231800000000, 0.0000874000000000, -0.0000866600000000 ] - [ 0.0000869800000000, -0.0000583500000000, 0.0000552600000000 ] - [ 0.0000051900000000, -0.0000004500000000, -0.0000594100000000 ] - [ -0.0000502300000000, 0.0000252100000000, 0.0000567800000000 ] - [ 0.0010687100000000, 0.0013323300000000, -0.0000611800000000 ] - [ 0.0062361500000000, 0.0092430000000000, -0.0000287500000000 ] - [ 0.0000331200000000, -0.0000249200000000, -0.0000506100000000 ] - [ -0.0159619700000000, 0.0006121500000000, -0.0000533900000000 ] - [ 0.0051938400000000, -0.0063508700000000, -0.0001765500000000 ] - [ -0.0011571100000000, 0.0000731100000000, 0.0000416800000000 ] - [ -0.2732415300000000, 0.0005542200000000, 0.0006920300000000 ] - [ -0.0000408600000000, 0.0000112200000000, -0.0001728300000000 ] - [ 0.0001171900000000, -0.0001141700000000, 0.0000447900000000 ] - [ 0.0000921000000000, -0.0001223300000000, 0.0002833200000000 ] - [ 0.0046153600000000, -0.0064913200000000, -0.0001819900000000 ] - [ 0.0136736100000000, -0.0002978500000000, 0.0000047900000000 ] - [ 0.0000903500000000, 0.0001196300000000, 0.0002883600000000 ] - [ -0.0002009800000000, 0.0020249000000000, 0.0005460900000000 ] - [ -0.0007533200000000, -0.0017044600000000, 0.0001056100000000 ] - [ 0.0015602100000000, 0.0007028400000000, -0.0010383300000000 ] - [ 0.0608890900000000, -0.0011910600000000, 0.0090217100000000 ] - [ 0.0091117600000000, -0.0253014800000000, -0.0028052400000000 ] - [ 0.0141461100000000, 0.0310517900000000, -0.0065357200000000 ] - [ 0.0005003800000000, 0.0001617900000000, -0.0001318600000000 ] - [ -0.0000973900000000, -0.0005126300000000, -0.0000811400000000 ] - [ -0.0004128200000000, 0.0003319700000000, -0.0001283400000000 ] - [ 0.0001750100000000, 0.0000487000000000, -0.0002906200000000 ] - [ -0.0001410400000000, 0.0001071400000000, -0.0002772200000000 ] - [ 0.0001196100000000, -0.0001415800000000, -0.0000673700000000 ] - [ 0.0324477500000000, -0.0014208500000000, 0.0482622900000000 ] - [ 0.0074380300000000, 0.0139254900000000, -0.0242708800000000 ] - [ 0.0055219000000000, -0.0144827600000000, -0.0244345100000000 ] - [ -0.0004789500000000, 0.0009620800000000, -0.0007131100000000 ] - [ 0.0004848200000000, 0.0001748700000000, -0.0003099800000000 ] - [ -0.0006199900000000, -0.0007593900000000, 0.0004241100000000 ] - [ -0.0074054700000000, -0.0064654900000000, -0.0028843100000000 ] - [ -0.0145441800000000, 0.0075583900000000, 0.0073246900000000 ] - [ 0.0000877900000000, -0.0007298000000000, 0.0005729200000000 ] - [ 0.0004941800000000, 0.0071145200000000, -0.0052625200000000 ] - [ 0.0005810300000000, -0.0015394500000000, -0.0005767600000000 ] - [ -0.0006012000000000, -0.0007504900000000, -0.0000131600000000 ] - [ 0.0002824100000000, 0.0008435300000000, -0.0002872200000000 ] - [ -0.0000827200000000, 0.0006862000000000, -0.0002711500000000 ] - [ 0.0005206700000000, 0.0005617300000000, 0.0013654200000000 ] - [ -0.0112601200000000, 0.0074472900000000, -0.0091571300000000 ] - [ -0.0139058500000000, -0.0118057600000000, -0.0044785000000000 ] - [ -0.0007781200000000, 0.0074745000000000, 0.0045169300000000 ] - [ 0.0001615300000000, -0.0000619600000000, 0.0003068400000000 ] - [ -0.0010832300000000, -0.0007079300000000, -0.0006228800000000 ] - [ -0.0013315700000000, -0.0004852900000000, 0.0004133700000000 ] - [ 0.0437619700000000, -0.0044811600000000, 0.0414075600000000 ] - [ 0.0140954800000000, -0.0129912300000000, -0.0162668600000000 ] - [ -0.0060565100000000, 0.0018508500000000, 0.0027709600000000 ] - [ -0.0069249000000000, -0.0026215400000000, 0.0057550000000000 ] - [ 0.0213904000000000, 0.0172232300000000, -0.0231182200000000 ] - [ 0.0003276400000000, -0.0000159500000000, -0.0001716400000000 ] - [ 0.0034514200000000, -0.0113006500000000, 0.0011562700000000 ] - [ -0.0005828000000000, 0.0000309000000000, 0.0001837900000000 ] - [ 0.0001380100000000, 0.0001726600000000, -0.0002093100000000 ] - [ -0.0000495800000000, -0.0002697300000000, -0.0004187600000000 ] - [ 0.0002901300000000, 0.0001860200000000, -0.0001583600000000 ] - [ -0.0002826700000000, 0.0001297500000000, -0.0001092100000000 ] - [ -0.0001763700000000, 0.0000632000000000, -0.0001819700000000 ] - [ 0.0000741900000000, -0.0008858500000000, 0.0001726800000000 ] - [ -0.0001332800000000, 0.0002755300000000, 0.0002443400000000 ] - [ 0.0002636300000000, 0.0001774900000000, -0.0001203900000000 ] - [ -0.0008257900000000, 0.0003798000000000, 0.0001592200000000 ] - [ 0.0007376700000000, 0.0005297400000000, 0.0001798100000000 ] - [ 0.0004333600000000, -0.0000989800000000, 0.0004013200000000 ] - [ -0.0004071800000000, 0.0004236700000000, -0.0001449700000000 ] - [ -0.0001277700000000, 0.0004169400000000, 0.0003944900000000 ] - [ 0.0002892000000000, -0.0000395400000000, 0.0002188200000000 ] - [ 0.0000411900000000, -0.0003117000000000, -0.0001178900000000 ] - [ -0.0001734400000000, -0.0002433300000000, 0.0002367500000000 ] - [ -0.0005916900000000, -0.0000281400000000, 0.0001311900000000 ] - [ 0.0003394100000000, -0.0005194500000000, 0.0001222800000000 ] - [ -0.0001384600000000, -0.0005413000000000, -0.0001485500000000 ] - [ -0.0002891500000000, -0.0003310900000000, 0.0003302600000000 ] - [ 0.0002054200000000, 0.0004942000000000, 0.0001219100000000 ] - [ 0.0002224700000000, -0.0002579500000000, -0.0000909900000000 ] - [ 0.0004865100000000, 0.0001922300000000, -0.0002102200000000 ] - [ -0.0003163700000000, -0.0000803300000000, -0.0000703700000000 ] - [ 0.0000854700000000, 0.0003194000000000, -0.0000630300000000 ] - [ 0.0000164800000000, -0.0002506100000000, -0.0004348600000000 ] - [ 0.0002211200000000, 0.0001115500000000, -0.0000509600000000 ] - [ -0.0131574900000000, 0.0110723700000000, -0.0085139400000000 ] - [ -0.0002484400000000, 0.0001703400000000, -0.0003017900000000 ] - [ -0.0119194800000000, -0.0098580800000000, -0.0063236700000000 ] - [ 0.0094287500000000, 0.0002190600000000, -0.0197254900000000 ] - [ -0.0057446400000000, -0.0016525900000000, 0.0033270400000000 ] - [ 0.0001249500000000, -0.0090327300000000, 0.0038209100000000 ] - [ -0.0043610500000000, 0.0025460600000000, 0.0030070300000000 ] - [ 0.0009496900000000, -0.0008801800000000, 0.0017050700000000 ] - [ 0.0005739500000000, -0.0002159500000000, -0.0001340600000000 ] - [ -0.0012442100000000, 0.0002933900000000, -0.0001940900000000 ] - [ 0.0035341900000000, 0.0033353000000000, 0.0099920000000000 ] - [ 0.0016435300000000, 0.0101663800000000, 0.0048497400000000 ] - [ 0.0032688200000000, -0.0040700100000000, 0.0104764100000000 ] - [ -0.0003285700000000, -0.0003469800000000, 0.0000897800000000 ] - [ 0.0000891100000000, -0.0004969500000000, 0.0000621000000000 ] - [ 0.0000426000000000, -0.0005662000000000, 0.0001072500000000 ] - [ -0.0000007300000000, 0.0006287600000000, -0.0004055200000000 ] - [ 0.0005071300000000, 0.0007922600000000, 0.0002236000000000 ] - [ 0.0234026900000000, 0.0326076300000000, -0.0174786700000000 ] - [ 0.0015957200000000, 0.0005594900000000, -0.0004855500000000 ] - [ 0.0257733700000000, -0.0356867200000000, -0.0199017400000000 ] - [ 0.0811488200000000, 0.0014297800000000, 0.0350347500000000 ]- atom: 12 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0029658000000000, 0.0004655600000000, 0.0000514300000000 ] - [ 0.0094058800000000, -0.0000817300000000, -0.0000865700000000 ] - [ -0.0000881400000000, 0.0000577300000000, 0.0000555900000000 ] - [ -0.0000056700000000, 0.0000004700000000, -0.0000595600000000 ] - [ 0.0000492000000000, -0.0000254300000000, 0.0000569100000000 ] - [ -0.0010717900000000, -0.0013383100000000, -0.0000617400000000 ] - [ -0.0062276200000000, -0.0091827100000000, -0.0000290400000000 ] - [ -0.0000322000000000, 0.0000275200000000, -0.0000509500000000 ] - [ 0.0160137600000000, -0.0006071200000000, -0.0000543400000000 ] - [ -0.0051915000000000, 0.0063272700000000, -0.0001763600000000 ] - [ 0.0011511600000000, -0.0000680700000000, 0.0000418100000000 ] - [ 0.2751790400000000, 0.0005539300000000, 0.0007777300000000 ] - [ 0.0000368600000000, -0.0000065300000000, -0.0001723900000000 ] - [ -0.0001169800000000, 0.0001164600000000, 0.0000439900000000 ] - [ -0.0000886700000000, 0.0001198900000000, 0.0002841200000000 ] - [ -0.0046266700000000, 0.0065264900000000, -0.0001818200000000 ] - [ -0.0136879000000000, 0.0001852400000000, 0.0000054700000000 ] - [ -0.0000904800000000, -0.0001226300000000, 0.0002884000000000 ] - [ 0.0011967400000000, -0.0016778700000000, -0.0008015300000000 ] - [ 0.0005721000000000, 0.0006616600000000, -0.0003660200000000 ] - [ -0.0023323200000000, -0.0000308000000000, 0.0007852400000000 ] - [ -0.0603746700000000, 0.0013647500000000, -0.0090533300000000 ] - [ -0.0092840400000000, 0.0253777900000000, 0.0024595800000000 ] - [ -0.0140081200000000, -0.0314129000000000, 0.0062726100000000 ] - [ 0.0005001300000000, 0.0001852000000000, -0.0000959900000000 ] - [ -0.0000858400000000, -0.0005273800000000, -0.0001476100000000 ] - [ -0.0003751000000000, 0.0003471900000000, -0.0001005200000000 ] - [ 0.0000952200000000, 0.0001438400000000, -0.0001303800000000 ] - [ -0.0001558200000000, 0.0000242300000000, -0.0001449800000000 ] - [ -0.0000791300000000, -0.0001930800000000, -0.0003576600000000 ] - [ -0.0316945400000000, 0.0017543200000000, -0.0487267600000000 ] - [ -0.0076632100000000, -0.0149522900000000, 0.0240628700000000 ] - [ -0.0063401300000000, 0.0151358200000000, 0.0242213000000000 ] - [ 0.0007513500000000, -0.0007696000000000, 0.0003185300000000 ] - [ -0.0007850000000000, -0.0000508300000000, -0.0000903500000000 ] - [ 0.0006652300000000, 0.0004277200000000, -0.0008275200000000 ] - [ 0.0073880600000000, 0.0059735700000000, 0.0023279600000000 ] - [ 0.0149481200000000, -0.0072485100000000, -0.0078651500000000 ] - [ -0.0006547300000000, 0.0009834700000000, -0.0007967000000000 ] - [ -0.0009589000000000, -0.0067992600000000, 0.0047170600000000 ] - [ -0.0004104900000000, -0.0002510000000000, 0.0009231800000000 ] - [ 0.0003427200000000, 0.0012913200000000, 0.0004884300000000 ] - [ 0.0002248200000000, -0.0004756800000000, 0.0000615100000000 ] - [ -0.0015573000000000, 0.0000728900000000, 0.0006150800000000 ] - [ 0.0009329800000000, 0.0004811500000000, -0.0010199000000000 ] - [ 0.0121410800000000, -0.0076405400000000, 0.0098774700000000 ] - [ 0.0130649000000000, 0.0125383600000000, 0.0040843100000000 ] - [ 0.0005013900000000, -0.0065944100000000, -0.0037559400000000 ] - [ 0.0004324000000000, 0.0000057400000000, 0.0001646700000000 ] - [ 0.0011447700000000, 0.0000856200000000, 0.0003965400000000 ] - [ 0.0009816700000000, -0.0000074000000000, 0.0000486100000000 ] - [ -0.0424938100000000, 0.0040914400000000, -0.0386970600000000 ] - [ -0.0132956000000000, 0.0122144500000000, 0.0166617500000000 ] - [ 0.0057600400000000, -0.0029494800000000, -0.0031291600000000 ] - [ 0.0062992700000000, 0.0019569500000000, -0.0050071000000000 ] - [ -0.0210093000000000, -0.0168493900000000, 0.0240236600000000 ] - [ 0.0001193700000000, -0.0004763600000000, 0.0000391200000000 ] - [ -0.0023899900000000, 0.0115898500000000, -0.0015016300000000 ] - [ -0.0000744400000000, -0.0001669300000000, -0.0003107100000000 ] - [ 0.0000588000000000, 0.0004640500000000, 0.0000706500000000 ] - [ 0.0000530600000000, -0.0002622900000000, -0.0000836200000000 ] - [ 0.0001738500000000, 0.0000765100000000, -0.0003508100000000 ] - [ -0.0002893900000000, 0.0001282100000000, -0.0001229100000000 ] - [ -0.0002840000000000, 0.0002008500000000, -0.0003236000000000 ] - [ 0.0000903900000000, -0.0009083900000000, 0.0001694100000000 ] - [ -0.0001168100000000, 0.0002700900000000, 0.0002266400000000 ] - [ 0.0002450900000000, 0.0001876600000000, -0.0001121600000000 ] - [ -0.0008174400000000, 0.0003828500000000, 0.0001826800000000 ] - [ 0.0007260000000000, 0.0005130200000000, 0.0001609600000000 ] - [ 0.0004265000000000, -0.0000886500000000, 0.0003485800000000 ] - [ -0.0004028400000000, 0.0003388200000000, -0.0001887100000000 ] - [ -0.0001407800000000, 0.0004201500000000, 0.0003548800000000 ] - [ 0.0003036200000000, -0.0000218500000000, 0.0002480500000000 ] - [ 0.0000205600000000, -0.0003136700000000, -0.0001143500000000 ] - [ -0.0001776600000000, -0.0002410000000000, 0.0002270500000000 ] - [ -0.0005736000000000, -0.0000576300000000, 0.0001196300000000 ] - [ 0.0003158200000000, -0.0004393800000000, 0.0001283300000000 ] - [ -0.0001185000000000, -0.0005418900000000, -0.0001861700000000 ] - [ -0.0003027900000000, -0.0003209400000000, 0.0004205300000000 ] - [ 0.0002990100000000, 0.0005544400000000, 0.0001263100000000 ] - [ 0.0002330400000000, -0.0002243900000000, -0.0000596000000000 ] - [ 0.0005718200000000, 0.0001363200000000, -0.0001249800000000 ] - [ -0.0003314700000000, -0.0000713800000000, -0.0000771400000000 ] - [ 0.0001024400000000, 0.0003176200000000, -0.0000905200000000 ] - [ -0.0000284200000000, -0.0002814800000000, -0.0000871900000000 ] - [ 0.0002490300000000, 0.0001408000000000, -0.0004763400000000 ] - [ 0.0126026700000000, -0.0108145500000000, 0.0083146900000000 ] - [ -0.0002051800000000, 0.0001051700000000, -0.0002210100000000 ] - [ 0.0120872900000000, 0.0080569000000000, 0.0066711800000000 ] - [ -0.0097110900000000, 0.0003245800000000, 0.0203071300000000 ] - [ 0.0062838400000000, 0.0020157500000000, -0.0035579900000000 ] - [ -0.0017745800000000, 0.0098385300000000, -0.0034992200000000 ] - [ 0.0058626000000000, -0.0014961100000000, -0.0026690300000000 ] - [ -0.0000972700000000, 0.0007058900000000, -0.0009730200000000 ] - [ -0.0013896700000000, 0.0009747400000000, -0.0002048300000000 ] - [ 0.0009716100000000, 0.0005329800000000, 0.0009327300000000 ] - [ -0.0029410900000000, -0.0033959400000000, -0.0095412600000000 ] - [ -0.0015917000000000, -0.0108312700000000, -0.0050967100000000 ] - [ -0.0036189100000000, 0.0035859100000000, -0.0100249600000000 ] - [ -0.0008398300000000, 0.0002620700000000, 0.0001621300000000 ] - [ 0.0005663000000000, -0.0004577700000000, 0.0001896200000000 ] - [ -0.0002954300000000, -0.0005172800000000, -0.0004490500000000 ] - [ -0.0005797900000000, -0.0012861800000000, 0.0011452000000000 ] - [ -0.0000024200000000, 0.0002581700000000, 0.0000245300000000 ] - [ -0.0229838200000000, -0.0323641600000000, 0.0168448800000000 ] - [ -0.0005424100000000, -0.0002304400000000, 0.0001463200000000 ] - [ -0.0263871200000000, 0.0346725000000000, 0.0191627900000000 ] - [ -0.0853816800000000, -0.0008796500000000, -0.0384058800000000 ]- atom: 12 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0097428800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0198065100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0030212200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0026475800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0033345400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011907700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013151300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0109085100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0166722200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0048397400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0101828400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.3075777700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0078595600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0088209500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0088102400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0039446200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0300764000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0088177400000000 ] - [ 0.0018342400000000, 0.0006968600000000, 0.0060514700000000 ] - [ -0.0003136200000000, -0.0019369300000000, 0.0060514700000000 ] - [ -0.0015206200000000, 0.0012400700000000, 0.0060514700000000 ] - [ 0.0352106500000000, -0.0057261300000000, -0.0176978900000000 ] - [ -0.0126463500000000, 0.0333563800000000, -0.0176978900000000 ] - [ -0.0225643000000000, -0.0276302500000000, -0.0176978900000000 ] - [ -0.0003972200000000, -0.0014433900000000, 0.0071853600000000 ] - [ -0.0010514000000000, 0.0010657000000000, 0.0071853600000000 ] - [ 0.0014486200000000, 0.0003776900000000, 0.0071853600000000 ] - [ 0.0015973100000000, 0.0020296800000000, 0.0066988000000000 ] - [ -0.0025564100000000, 0.0003684700000000, 0.0066988000000000 ] - [ 0.0009591000000000, -0.0023981500000000, 0.0066988000000000 ] - [ 0.0268980200000000, 0.0027317600000000, 0.0235983700000000 ] - [ -0.0110832300000000, -0.0246602500000000, 0.0235983700000000 ] - [ -0.0158147900000000, 0.0219284900000000, 0.0235983700000000 ] - [ 0.0023812000000000, 0.0032113100000000, 0.0060128000000000 ] - [ -0.0039716700000000, 0.0004565300000000, 0.0060128000000000 ] - [ 0.0015904700000000, -0.0036678400000000, 0.0060128000000000 ] - [ 0.0111263200000000, 0.0031701200000000, 0.0183627800000000 ] - [ -0.0083085700000000, 0.0080506200000000, 0.0183627800000000 ] - [ -0.0006909200000000, 0.0004729200000000, -0.0022580200000000 ] - [ -0.0028177500000000, -0.0112207400000000, 0.0183627800000000 ] - [ -0.0003607100000000, -0.0012520600000000, -0.0034734200000000 ] - [ 0.0005707000000000, 0.0000203200000000, -0.0019870000000000 ] - [ 0.0007550200000000, 0.0003618900000000, -0.0022580200000000 ] - [ -0.0009039600000000, 0.0009384100000000, -0.0034734200000000 ] - [ 0.0012646700000000, 0.0003136400000000, -0.0034734200000000 ] - [ -0.0058607900000000, 0.0024183400000000, -0.0008523500000000 ] - [ -0.0082274000000000, -0.0034436200000000, 0.0040196300000000 ] - [ 0.0008360500000000, -0.0062847600000000, -0.0008523500000000 ] - [ -0.0002677500000000, -0.0005044000000000, -0.0019870000000000 ] - [ -0.0000641000000000, -0.0008348100000000, -0.0022580200000000 ] - [ -0.0003029500000000, 0.0004840800000000, -0.0019870000000000 ] - [ 0.0348123500000000, -0.0030366200000000, 0.0543052700000000 ] - [ -0.0147763800000000, 0.0316666900000000, 0.0543052700000000 ] - [ 0.0070959600000000, -0.0054033300000000, 0.0040196300000000 ] - [ 0.0050247300000000, 0.0038664200000000, -0.0008523500000000 ] - [ -0.0200359700000000, -0.0286300700000000, 0.0543052700000000 ] - [ 0.0011461800000000, 0.0014882900000000, -0.0041490600000000 ] - [ 0.0011314400000000, 0.0088469500000000, 0.0040196300000000 ] - [ 0.0007158100000000, -0.0017367700000000, -0.0041490600000000 ] - [ -0.0018619900000000, 0.0002484800000000, -0.0041490600000000 ] - [ -0.0021636000000000, -0.0001130900000000, -0.0048672800000000 ] - [ 0.0011797400000000, -0.0018171800000000, -0.0048672800000000 ] - [ -0.0005958500000000, 0.0009237600000000, -0.0027138400000000 ] - [ 0.0009838600000000, 0.0019302800000000, -0.0048672800000000 ] - [ 0.0006794800000000, 0.0000974400000000, -0.0024803900000000 ] - [ 0.0029181700000000, 0.0004556000000000, -0.0042379100000000 ] - [ 0.0010979300000000, 0.0000541400000000, -0.0027138400000000 ] - [ -0.0002553500000000, -0.0006371700000000, -0.0024803900000000 ] - [ -0.0004241300000000, 0.0005397300000000, -0.0024803900000000 ] - [ -0.0005446800000000, 0.0011460200000000, -0.0035150100000000 ] - [ -0.0014147600000000, -0.0017757200000000, -0.0035192100000000 ] - [ -0.0007201500000000, -0.0010447200000000, -0.0035150100000000 ] - [ -0.0010645300000000, -0.0027550100000000, -0.0042379100000000 ] - [ -0.0005020700000000, -0.0009779000000000, -0.0027138400000000 ] - [ -0.0018536500000000, 0.0022994100000000, -0.0042379100000000 ] - [ -0.0017902400000000, -0.0002693100000000, -0.0024238700000000 ] - [ 0.0011283500000000, -0.0014157400000000, -0.0024238700000000 ] - [ 0.0022452000000000, -0.0003373600000000, -0.0035192100000000 ] - [ 0.0012648200000000, -0.0001013100000000, -0.0035150100000000 ] - [ 0.0006618900000000, 0.0016850500000000, -0.0024238700000000 ] - [ 0.0011970000000000, 0.0010526800000000, -0.0043938900000000 ] - [ -0.0008304300000000, 0.0021130800000000, -0.0035192100000000 ] - [ 0.0003131400000000, -0.0015629700000000, -0.0043938900000000 ] - [ -0.0015101500000000, 0.0005103000000000, -0.0043938900000000 ] - [ -0.0020788000000000, 0.0000391100000000, -0.0045445800000000 ] - [ 0.0010055300000000, -0.0018198500000000, -0.0045445800000000 ] - [ -0.0059613200000000, 0.0040651300000000, -0.0019538900000000 ] - [ 0.0010732700000000, 0.0017807400000000, -0.0045445800000000 ] - [ -0.0067256900000000, -0.0076301200000000, 0.0005137500000000 ] - [ -0.0009266900000000, -0.0002409200000000, -0.0064161100000000 ] - [ 0.0065011700000000, 0.0031300900000000, -0.0019538900000000 ] - [ -0.0032450300000000, 0.0096396800000000, 0.0005137500000000 ] - [ 0.0099707300000000, -0.0020095600000000, 0.0005137500000000 ] - [ -0.0006318800000000, 0.0006707500000000, -0.0028031700000000 ] - [ -0.0018645100000000, -0.0026538600000000, -0.0041306900000000 ] - [ -0.0002649500000000, -0.0008826000000000, -0.0028031700000000 ] - [ 0.0002547000000000, 0.0009230000000000, -0.0064161100000000 ] - [ -0.0005398400000000, -0.0071952200000000, -0.0019538900000000 ] - [ 0.0006719900000000, -0.0006820800000000, -0.0064161100000000 ] - [ -0.0021959700000000, -0.0004048800000000, -0.0020818700000000 ] - [ 0.0014486200000000, -0.0016993300000000, -0.0020818700000000 ] - [ 0.0032305600000000, -0.0002877800000000, -0.0041306900000000 ] - [ 0.0008968300000000, 0.0002118500000000, -0.0028031700000000 ] - [ 0.0007473500000000, 0.0021042100000000, -0.0020818700000000 ] - [ -0.0210128900000000, -0.0372957300000000, 0.0321595000000000 ] - [ -0.0013660500000000, 0.0029416400000000, -0.0041306900000000 ] - [ -0.0217926100000000, 0.0368455600000000, 0.0321595000000000 ] - [ 0.0428055000000000, 0.0004501700000000, 0.0321595000000000 ]- atom: 12 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0098477000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0196249300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0029092000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0027673800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0032193200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012999800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014408900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0109946700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0168339300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0052334500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100802300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.3051123800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0082075100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0087276800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0082591800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0042572100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0301356400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0082520300000000 ] - [ -0.0008100600000000, -0.0003174100000000, -0.0063425400000000 ] - [ 0.0001301500000000, 0.0008602400000000, -0.0063425400000000 ] - [ 0.0006799100000000, -0.0005428300000000, -0.0063425400000000 ] - [ -0.0348946500000000, 0.0059284800000000, 0.0173105800000000 ] - [ 0.0123131100000000, -0.0331838900000000, 0.0173105800000000 ] - [ 0.0225815400000000, 0.0272554200000000, 0.0173105800000000 ] - [ 0.0014033600000000, 0.0017942700000000, -0.0074330800000000 ] - [ 0.0008522000000000, -0.0021124800000000, -0.0074330800000000 ] - [ -0.0022555600000000, 0.0003182100000000, -0.0074330800000000 ] - [ -0.0013219700000000, -0.0018176700000000, -0.0071118100000000 ] - [ 0.0022351400000000, -0.0002360300000000, -0.0071118100000000 ] - [ -0.0009131600000000, 0.0020537000000000, -0.0071118100000000 ] - [ -0.0260773300000000, -0.0023908600000000, -0.0237565100000000 ] - [ 0.0109681200000000, 0.0237790600000000, -0.0237565100000000 ] - [ 0.0151092100000000, -0.0213882000000000, -0.0237565100000000 ] - [ -0.0021116300000000, -0.0030196300000000, -0.0063933400000000 ] - [ 0.0036708900000000, -0.0003189100000000, -0.0063933400000000 ] - [ -0.0015592600000000, 0.0033385400000000, -0.0063933400000000 ] - [ -0.0111087000000000, -0.0036935000000000, -0.0188867500000000 ] - [ 0.0087530200000000, -0.0077736700000000, -0.0188867500000000 ] - [ 0.0001210100000000, -0.0002221900000000, 0.0020430200000000 ] - [ 0.0023556800000000, 0.0114671700000000, -0.0188867500000000 ] - [ 0.0005175500000000, -0.0005609500000000, 0.0038020400000000 ] - [ -0.0008372700000000, 0.0005172800000000, 0.0024796300000000 ] - [ -0.0002529300000000, 0.0000062900000000, 0.0020430200000000 ] - [ -0.0007445800000000, -0.0001677400000000, 0.0038020400000000 ] - [ 0.0002270200000000, 0.0007286900000000, 0.0038020400000000 ] - [ 0.0067365400000000, -0.0026217100000000, 0.0016313900000000 ] - [ 0.0074140000000000, 0.0042205900000000, -0.0043418800000000 ] - [ -0.0010978000000000, 0.0071448700000000, 0.0016313900000000 ] - [ 0.0008666100000000, 0.0004664600000000, 0.0024796300000000 ] - [ 0.0001319100000000, 0.0002158900000000, 0.0020430200000000 ] - [ -0.0000293400000000, -0.0009837300000000, 0.0024796300000000 ] - [ -0.0338735500000000, 0.0027353200000000, -0.0528269700000000 ] - [ 0.0145679200000000, -0.0307030100000000, -0.0528269700000000 ] - [ -0.0073621400000000, 0.0043104200000000, -0.0043418800000000 ] - [ -0.0056387400000000, -0.0045231600000000, 0.0016313900000000 ] - [ 0.0193056300000000, 0.0279677000000000, -0.0528269700000000 ] - [ -0.0007001600000000, -0.0019823200000000, 0.0040391000000000 ] - [ -0.0000518600000000, -0.0085310100000000, -0.0043418800000000 ] - [ -0.0013666600000000, 0.0015975100000000, 0.0040391000000000 ] - [ 0.0020668200000000, 0.0003848100000000, 0.0040391000000000 ] - [ 0.0021606000000000, -0.0004211000000000, 0.0043407300000000 ] - [ -0.0007156100000000, 0.0020816800000000, 0.0043407300000000 ] - [ 0.0000231600000000, -0.0006613700000000, 0.0024842200000000 ] - [ -0.0014449900000000, -0.0016605800000000, 0.0043407300000000 ] - [ -0.0005111300000000, -0.0018949000000000, 0.0028190000000000 ] - [ -0.0031605700000000, 0.0000884200000000, 0.0047058100000000 ] - [ -0.0005843500000000, 0.0003106300000000, 0.0024842200000000 ] - [ -0.0013854700000000, 0.0013901000000000, 0.0028190000000000 ] - [ 0.0018966000000000, 0.0005048000000000, 0.0028190000000000 ] - [ 0.0014032000000000, -0.0013348000000000, 0.0042730500000000 ] - [ 0.0006063000000000, 0.0025370200000000, 0.0031888600000000 ] - [ 0.0004543700000000, 0.0018826100000000, 0.0042730500000000 ] - [ 0.0016568600000000, 0.0026929200000000, 0.0047058100000000 ] - [ 0.0005611900000000, 0.0003507400000000, 0.0024842200000000 ] - [ 0.0015037100000000, -0.0027813500000000, 0.0047058100000000 ] - [ 0.0006344300000000, 0.0001807800000000, 0.0026699400000000 ] - [ -0.0004737700000000, 0.0004590400000000, 0.0026699400000000 ] - [ -0.0025002800000000, -0.0007434300000000, 0.0031888600000000 ] - [ -0.0018575700000000, -0.0005478100000000, 0.0042730500000000 ] - [ -0.0001606600000000, -0.0006398200000000, 0.0026699400000000 ] - [ -0.0007430900000000, -0.0015428000000000, 0.0042641700000000 ] - [ 0.0018939700000000, -0.0017935900000000, 0.0031888600000000 ] - [ -0.0009645600000000, 0.0014149300000000, 0.0042641700000000 ] - [ 0.0017076500000000, 0.0001278700000000, 0.0042641700000000 ] - [ 0.0020675500000000, -0.0005752200000000, 0.0040022900000000 ] - [ -0.0005356200000000, 0.0020781700000000, 0.0040022900000000 ] - [ 0.0053756400000000, -0.0037839800000000, 0.0016916300000000 ] - [ -0.0015319400000000, -0.0015029400000000, 0.0040022900000000 ] - [ 0.0068862700000000, 0.0058204900000000, -0.0002134400000000 ] - [ 0.0007270800000000, 0.0007860000000000, 0.0068777800000000 ] - [ -0.0059648400000000, -0.0027634500000000, 0.0016916300000000 ] - [ 0.0015975600000000, -0.0088739300000000, -0.0002134400000000 ] - [ -0.0084838300000000, 0.0030534300000000, -0.0002134400000000 ] - [ 0.0014822300000000, -0.0008376300000000, 0.0035334100000000 ] - [ 0.0010621400000000, 0.0034316400000000, 0.0038060800000000 ] - [ -0.0000157000000000, 0.0017024600000000, 0.0035334100000000 ] - [ 0.0003171500000000, -0.0010226700000000, 0.0068777800000000 ] - [ 0.0005892000000000, 0.0065474300000000, 0.0016916300000000 ] - [ -0.0010442300000000, 0.0002366700000000, 0.0068777800000000 ] - [ 0.0010406100000000, 0.0003185600000000, 0.0023237400000000 ] - [ -0.0007961900000000, 0.0007419100000000, 0.0023237400000000 ] - [ -0.0035029600000000, -0.0007959800000000, 0.0038060800000000 ] - [ -0.0014665200000000, -0.0008648300000000, 0.0035334100000000 ] - [ -0.0002444200000000, -0.0010604700000000, 0.0023237400000000 ] - [ 0.0221881700000000, 0.0381205500000000, -0.0326428300000000 ] - [ 0.0024408200000000, -0.0026356600000000, 0.0038060800000000 ] - [ 0.0219192700000000, -0.0382757900000000, -0.0326428300000000 ] - [ -0.0441074500000000, 0.0001552500000000, -0.0326428300000000 ]- atom: 19 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0004206400000000, 0.0000515900000000, -0.0015793400000000 ] - [ 0.0034768900000000, 0.0059417700000000, 0.0066766900000000 ] - [ 0.0026393700000000, -0.0052784100000000, -0.0063228900000000 ] - [ 0.0005986500000000, -0.0000525300000000, 0.0005156500000000 ] - [ -0.0000078100000000, 0.0000150800000000, -0.0002566500000000 ] - [ 0.0000011100000000, -0.0000164300000000, -0.0002855000000000 ] - [ 0.0612138100000000, -0.0007227300000000, -0.0398205500000000 ] - [ -0.0012557500000000, -0.0015635800000000, -0.0029549000000000 ] - [ -0.0000099700000000, 0.0000511000000000, -0.0010231100000000 ] - [ 0.0184658400000000, -0.0330415700000000, 0.0260402100000000 ] - [ 0.0169006600000000, 0.0308762700000000, -0.0226738600000000 ] - [ -0.0006983300000000, 0.0011543400000000, 0.0015993000000000 ] - [ -0.0004524400000000, 0.0011884600000000, -0.0012579100000000 ] - [ 0.0000823300000000, -0.0000203900000000, -0.0006216600000000 ] - [ 0.0320976200000000, -0.0002823500000000, 0.0268988000000000 ] - [ 0.0000269000000000, 0.0000034700000000, -0.0011901800000000 ] - [ -0.0002095400000000, -0.0010940400000000, -0.0000735300000000 ] - [ 0.0000004500000000, -0.0000046500000000, -0.0006092300000000 ] - [ -0.5896346600000000, 0.0051514600000000, -0.0165296000000000 ] - [ 0.0144338500000000, 0.0208097300000000, 0.0045323800000000 ] - [ 0.0152228700000000, -0.0203588500000000, 0.0051063200000000 ] - [ -0.0045818600000000, -0.0116852400000000, 0.0019125900000000 ] - [ 0.0117304200000000, 0.0048248200000000, 0.0099046700000000 ] - [ -0.0098460900000000, 0.0105812900000000, 0.0041598600000000 ] - [ 0.0010601600000000, 0.0004521100000000, -0.0010297300000000 ] - [ 0.0001475300000000, -0.0009732900000000, -0.0009696700000000 ] - [ -0.0011941900000000, 0.0003798600000000, -0.0009158400000000 ] - [ 0.0060700900000000, -0.0038967800000000, -0.0099278800000000 ] - [ -0.0033280400000000, 0.0076329400000000, -0.0015122300000000 ] - [ -0.0056538400000000, -0.0086833900000000, -0.0031440800000000 ] - [ 0.0010595200000000, -0.0000144500000000, -0.0004928600000000 ] - [ -0.0006855000000000, -0.0006739400000000, -0.0005318800000000 ] - [ -0.0003079800000000, 0.0006943500000000, -0.0007135200000000 ] - [ -0.0000579900000000, -0.0000147800000000, -0.0008418100000000 ] - [ 0.0000418600000000, -0.0000387400000000, -0.0008520500000000 ] - [ 0.0000076700000000, 0.0000489400000000, -0.0008582600000000 ] - [ 0.0015358000000000, -0.0012933400000000, -0.0009805100000000 ] - [ 0.0005290200000000, 0.0023149000000000, 0.0003061900000000 ] - [ 0.1308077200000000, -0.1158555800000000, -0.0100929300000000 ] - [ -0.0013635000000000, 0.0001884400000000, -0.0026163200000000 ] - [ 0.1168496400000000, 0.1066172100000000, 0.0162703900000000 ] - [ 0.1235565600000000, 0.0061283400000000, -0.1196906600000000 ] - [ -0.0123019500000000, -0.0002625200000000, -0.0005039600000000 ] - [ -0.0010980100000000, -0.0145193800000000, -0.0014243600000000 ] - [ -0.0121210200000000, 0.0007751900000000, -0.0014912200000000 ] - [ -0.0000534200000000, 0.0043721800000000, -0.0032704500000000 ] - [ -0.0004440900000000, 0.0094742500000000, 0.0063098600000000 ] - [ -0.0081256700000000, -0.0024747600000000, -0.0113978300000000 ] - [ -0.0117371700000000, -0.0137991500000000, -0.0080525000000000 ] - [ -0.0000408400000000, 0.0149504800000000, -0.0003283300000000 ] - [ -0.0125304700000000, 0.0134364600000000, -0.0080845800000000 ] - [ 0.0024334200000000, 0.0009471500000000, -0.0014243400000000 ] - [ -0.0017124700000000, -0.0009907300000000, -0.0030427100000000 ] - [ -0.0111276500000000, -0.0022743600000000, 0.0033171500000000 ] - [ 0.0100121200000000, -0.0006929500000000, -0.0112121200000000 ] - [ 0.0014973000000000, -0.0012560500000000, -0.0016402400000000 ] - [ -0.0073099800000000, -0.0075964300000000, 0.0020250400000000 ] - [ 0.0028411500000000, -0.0089624500000000, 0.0068819000000000 ] - [ -0.0080975700000000, 0.0075783800000000, 0.0021781800000000 ] - [ 0.1277723300000000, -0.0013176100000000, 0.1389014300000000 ] - [ 0.0084596800000000, 0.0010067900000000, 0.0087923400000000 ] - [ -0.0056805000000000, 0.0020709700000000, 0.0101171300000000 ] - [ -0.0003494100000000, 0.0000663400000000, 0.0000918400000000 ] - [ -0.0004933800000000, -0.0031384700000000, 0.0020184100000000 ] - [ -0.0001599600000000, -0.0011018900000000, 0.0003361700000000 ] - [ -0.0008038100000000, 0.0003422600000000, 0.0010620400000000 ] - [ 0.0001378000000000, 0.0001246800000000, 0.0001911400000000 ] - [ -0.0010191300000000, 0.0006616700000000, 0.0003325000000000 ] - [ 0.0011077200000000, 0.0004967500000000, 0.0002030300000000 ] - [ 0.0003258400000000, -0.0006628100000000, 0.0034099400000000 ] - [ -0.0006992600000000, 0.0023257500000000, 0.0033851400000000 ] - [ 0.0001533100000000, -0.0010338500000000, 0.0002471600000000 ] - [ 0.0006608200000000, 0.0006917100000000, 0.0010386900000000 ] - [ 0.0002791900000000, -0.0001865100000000, 0.0002763400000000 ] - [ 0.0004124700000000, -0.0007556100000000, 0.0010115900000000 ] - [ -0.0055725000000000, 0.0009044300000000, 0.0006838000000000 ] - [ 0.0003589800000000, -0.0052164200000000, -0.0029768700000000 ] - [ 0.0018381800000000, -0.0012929300000000, 0.0008373700000000 ] - [ 0.0006747100000000, 0.0004629600000000, 0.0011488700000000 ] - [ 0.0013574500000000, 0.0060876300000000, -0.0036058800000000 ] - [ 0.0001086800000000, -0.0003332900000000, 0.0003941700000000 ] - [ 0.0014859300000000, 0.0013286200000000, 0.0014429200000000 ] - [ -0.0003199500000000, 0.0000637000000000, 0.0003879700000000 ] - [ 0.0001885100000000, 0.0002776500000000, 0.0003935100000000 ] - [ 0.0001526600000000, -0.0002804800000000, 0.0001410800000000 ] - [ 0.0001679300000000, 0.0002680900000000, 0.0001194200000000 ] - [ -0.0005011700000000, 0.0002850800000000, 0.0002896400000000 ] - [ -0.0003235000000000, 0.0000120300000000, 0.0001297900000000 ] - [ -0.0000808700000000, -0.0009658700000000, 0.0003699700000000 ] - [ -0.0004616900000000, 0.0002926200000000, 0.0005877200000000 ] - [ 0.0005750100000000, 0.0002353100000000, 0.0003233600000000 ] - [ -0.0007073500000000, 0.0004124700000000, 0.0002394000000000 ] - [ 0.0007649400000000, 0.0005770600000000, 0.0003554400000000 ] - [ 0.0005417000000000, -0.0002401100000000, 0.0007722700000000 ] - [ -0.0003100400000000, 0.0005468400000000, 0.0001412200000000 ] - [ -0.0000630000000000, 0.0005871300000000, 0.0007762000000000 ] - [ 0.0004863700000000, 0.0001986400000000, 0.0005671300000000 ] - [ -0.0000772600000000, -0.0004833200000000, 0.0003068500000000 ] - [ -0.0000351700000000, -0.0005531200000000, 0.0006450200000000 ] - [ -0.0004338300000000, -0.0000295500000000, 0.0003702200000000 ] - [ 0.0002423000000000, -0.0003545600000000, 0.0003718300000000 ] - [ -0.0003222600000000, -0.0005522800000000, 0.0001423000000000 ] - [ -0.0004863100000000, -0.0003480500000000, 0.0007786900000000 ] - [ 0.0001929100000000, 0.0003973600000000, 0.0003667300000000 ] - [ 0.0006546700000000, -0.0000850600000000, -0.0002262000000000 ] - [ 0.0006351600000000, -0.0000077700000000, 0.0001463700000000 ] - [ -0.0002914000000000, -0.0003024000000000, 0.0000601300000000 ] - [ -0.0003166400000000, 0.0002706800000000, -0.0002887300000000 ]- atom: 19 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0004221100000000, -0.0000507000000000, 0.0017003000000000 ] - [ -0.0034807300000000, -0.0059902000000000, -0.0068303500000000 ] - [ -0.0026349000000000, 0.0053138300000000, 0.0064525400000000 ] - [ -0.0006030600000000, 0.0000524100000000, -0.0006355300000000 ] - [ 0.0000065900000000, -0.0000152600000000, 0.0003710400000000 ] - [ -0.0000017400000000, 0.0000167400000000, 0.0001666800000000 ] - [ -0.0612621100000000, 0.0007462100000000, 0.0395411400000000 ] - [ 0.0012660700000000, 0.0015811900000000, 0.0028633700000000 ] - [ 0.0000070300000000, -0.0000473300000000, 0.0009334400000000 ] - [ -0.0184888500000000, 0.0333272000000000, -0.0265343200000000 ] - [ -0.0168970000000000, -0.0311263500000000, 0.0228811300000000 ] - [ 0.0007002300000000, -0.0011683300000000, -0.0010478800000000 ] - [ 0.0004557100000000, -0.0011918900000000, 0.0009164900000000 ] - [ -0.0000822500000000, 0.0000219400000000, 0.0007170600000000 ] - [ -0.0320442500000000, 0.0002820600000000, -0.0260759000000000 ] - [ -0.0000254600000000, -0.0000012000000000, 0.0008515500000000 ] - [ 0.0002119200000000, 0.0011044800000000, 0.0001592000000000 ] - [ -0.0000003100000000, 0.0000028100000000, 0.0011872500000000 ] - [ 0.5904732400000000, -0.0060116600000000, 0.0178732300000000 ] - [ -0.0146436500000000, -0.0218278400000000, -0.0048925500000000 ] - [ -0.0160531500000000, 0.0210093400000000, -0.0054695300000000 ] - [ 0.0048781500000000, 0.0119379800000000, -0.0023254200000000 ] - [ -0.0121305200000000, -0.0047435900000000, -0.0103797600000000 ] - [ 0.0099465100000000, -0.0109634200000000, -0.0045986600000000 ] - [ -0.0000565800000000, -0.0001045500000000, 0.0007990200000000 ] - [ -0.0003348800000000, -0.0000706500000000, 0.0007376200000000 ] - [ 0.0004068400000000, 0.0003034300000000, 0.0006836000000000 ] - [ -0.0058157400000000, 0.0041328200000000, 0.0095792600000000 ] - [ 0.0030225400000000, -0.0075206900000000, 0.0010889100000000 ] - [ 0.0057051700000000, 0.0083620900000000, 0.0027221600000000 ] - [ -0.0000566500000000, 0.0003558300000000, 0.0002582100000000 ] - [ 0.0005101900000000, -0.0003641200000000, 0.0002941500000000 ] - [ -0.0004699100000000, -0.0000229100000000, 0.0004774800000000 ] - [ 0.0003307200000000, 0.0002103000000000, 0.0004564400000000 ] - [ -0.0003372500000000, 0.0001663100000000, 0.0004649300000000 ] - [ 0.0000338300000000, -0.0003851300000000, 0.0004680900000000 ] - [ -0.0015568800000000, 0.0007656500000000, 0.0004459600000000 ] - [ -0.0000606300000000, -0.0020700600000000, -0.0008400400000000 ] - [ -0.1344019600000000, 0.1222364900000000, 0.0104407500000000 ] - [ 0.0009179800000000, 0.0000855900000000, 0.0021010400000000 ] - [ -0.1187766400000000, -0.1135316900000000, -0.0165965400000000 ] - [ -0.1201852800000000, -0.0053499200000000, 0.1133814100000000 ] - [ 0.0128216300000000, 0.0005944000000000, 0.0003180400000000 ] - [ -0.0005338700000000, 0.0151994200000000, 0.0017453200000000 ] - [ 0.0136146100000000, 0.0003060000000000, 0.0018234300000000 ] - [ 0.0009117400000000, -0.0045771600000000, 0.0040342100000000 ] - [ -0.0003877800000000, -0.0087815300000000, -0.0066702900000000 ] - [ 0.0078793000000000, 0.0032804900000000, 0.0122060100000000 ] - [ 0.0123612700000000, 0.0138046000000000, 0.0086257000000000 ] - [ 0.0001252300000000, -0.0154894000000000, 0.0001466600000000 ] - [ 0.0122191500000000, -0.0139978500000000, 0.0086660400000000 ] - [ -0.0036094600000000, -0.0010367900000000, 0.0016800800000000 ] - [ 0.0023755400000000, 0.0000502800000000, 0.0033160400000000 ] - [ 0.0109394200000000, 0.0012001700000000, -0.0036907200000000 ] - [ -0.0105762200000000, 0.0000275400000000, 0.0119653100000000 ] - [ -0.0009967900000000, 0.0023143700000000, 0.0018917700000000 ] - [ 0.0077448200000000, 0.0070794200000000, -0.0021302500000000 ] - [ -0.0018050800000000, 0.0093497200000000, -0.0072582000000000 ] - [ 0.0074318200000000, -0.0076846400000000, -0.0022697100000000 ] - [ -0.1260682500000000, 0.0019102100000000, -0.1338701400000000 ] - [ -0.0084235700000000, -0.0015523200000000, -0.0092759900000000 ] - [ 0.0061506400000000, -0.0017710500000000, -0.0106850900000000 ] - [ -0.0002207200000000, 0.0001900100000000, -0.0003244300000000 ] - [ 0.0000347900000000, 0.0034144800000000, -0.0025382800000000 ] - [ 0.0003288300000000, -0.0006889800000000, 0.0000035700000000 ] - [ 0.0005548800000000, 0.0002018500000000, -0.0005940000000000 ] - [ 0.0003691500000000, 0.0002402700000000, -0.0004253200000000 ] - [ -0.0006223000000000, 0.0000965400000000, 0.0000069600000000 ] - [ 0.0003503300000000, 0.0005477100000000, 0.0001364700000000 ] - [ 0.0005290800000000, 0.0004801500000000, -0.0026775200000000 ] - [ -0.0001156000000000, -0.0015808300000000, -0.0037384600000000 ] - [ -0.0004218800000000, 0.0018757000000000, 0.0005074300000000 ] - [ -0.0000693700000000, -0.0007545100000000, -0.0005735700000000 ] - [ -0.0002185600000000, -0.0004366000000000, -0.0005102300000000 ] - [ -0.0007646700000000, 0.0002721600000000, -0.0005496500000000 ] - [ 0.0044219000000000, -0.0009935300000000, -0.0004459500000000 ] - [ 0.0003045100000000, 0.0042868200000000, 0.0032487900000000 ] - [ -0.0020982900000000, 0.0002129700000000, -0.0011658200000000 ] - [ -0.0012713400000000, -0.0011138100000000, -0.0003875800000000 ] - [ -0.0008464000000000, -0.0050695500000000, 0.0038879800000000 ] - [ 0.0003474100000000, -0.0001504700000000, -0.0005378900000000 ] - [ -0.0004217600000000, -0.0010105000000000, -0.0017760700000000 ] - [ -0.0003293800000000, -0.0002148800000000, -0.0005287300000000 ] - [ 0.0000008100000000, 0.0003602300000000, -0.0005397400000000 ] - [ -0.0001627200000000, -0.0002535300000000, -0.0006730200000000 ] - [ 0.0003035700000000, -0.0000141300000000, -0.0006557200000000 ] - [ -0.0000693800000000, -0.0000259600000000, -0.0005248000000000 ] - [ -0.0001327900000000, 0.0002638900000000, -0.0006629800000000 ] - [ 0.0002541500000000, -0.0008203600000000, -0.0000284100000000 ] - [ 0.0002102300000000, 0.0002521200000000, -0.0001127900000000 ] - [ -0.0000792200000000, 0.0001277100000000, -0.0005566100000000 ] - [ -0.0009330100000000, 0.0003375200000000, 0.0001013200000000 ] - [ 0.0006854100000000, 0.0004682300000000, -0.0000141200000000 ] - [ 0.0003104100000000, 0.0000663100000000, -0.0000377100000000 ] - [ -0.0004993700000000, 0.0002158500000000, -0.0004755500000000 ] - [ -0.0002124800000000, 0.0002381600000000, -0.0000415000000000 ] - [ 0.0001065500000000, -0.0002565300000000, -0.0000951800000000 ] - [ 0.0001391700000000, -0.0001349900000000, -0.0005420000000000 ] - [ -0.0003150200000000, 0.0000685800000000, -0.0001786400000000 ] - [ -0.0007273500000000, -0.0000560300000000, -0.0001236000000000 ] - [ 0.0004076600000000, -0.0005951500000000, -0.0001262800000000 ] - [ 0.0000642400000000, -0.0005315000000000, -0.0004769800000000 ] - [ -0.0000943800000000, -0.0003039700000000, -0.0000404600000000 ] - [ 0.0003096800000000, 0.0006469900000000, -0.0001233300000000 ] - [ -0.0002043400000000, -0.0004025200000000, 0.0000877700000000 ] - [ 0.0004244700000000, 0.0003341400000000, -0.0004818800000000 ] - [ -0.0003619500000000, 0.0001587600000000, -0.0001952600000000 ] - [ 0.0005106800000000, 0.0003680700000000, 0.0001445700000000 ]- atom: 19 displacement: [ -0.0050000000144975, 0.0086602540294743, 0.0000000000000000 ] forces: - [ -0.0002557900000000, -0.0001517500000000, 0.0003573100000000 ] - [ 0.0036612300000000, 0.0036544600000000, 0.0044778500000000 ] - [ -0.0058581300000000, 0.0085412900000000, 0.0111111700000000 ] - [ -0.0002843100000000, -0.0000974500000000, -0.0008692100000000 ] - [ 0.0000159700000000, 0.0000016700000000, -0.0003122800000000 ] - [ -0.0000169300000000, 0.0000143800000000, -0.0004052800000000 ] - [ -0.0272264800000000, -0.0034685700000000, 0.0213188500000000 ] - [ -0.0012998000000000, 0.0020426700000000, 0.0016006800000000 ] - [ 0.0000614900000000, -0.0000304400000000, -0.0013088600000000 ] - [ -0.0358079900000000, 0.0517611700000000, -0.0360617600000000 ] - [ 0.0187406600000000, 0.0179932500000000, -0.0122851200000000 ] - [ 0.0019512300000000, 0.0003654500000000, 0.0000549700000000 ] - [ 0.0011155400000000, 0.0000252300000000, -0.0017964900000000 ] - [ -0.0000578100000000, -0.0000082100000000, -0.0010521600000000 ] - [ -0.0173889300000000, -0.0012775300000000, -0.0107184100000000 ] - [ -0.0000177900000000, -0.0000030800000000, -0.0009420400000000 ] - [ -0.0008850800000000, 0.0012930600000000, -0.0021628300000000 ] - [ -0.0000102100000000, -0.0000136500000000, -0.0006648100000000 ] - [ 0.3092086000000000, -0.5135262800000000, 0.0027330300000000 ] - [ -0.0193147300000000, -0.0011337800000000, -0.0009522500000000 ] - [ 0.0043013100000000, 0.0198472600000000, -0.0014889900000000 ] - [ -0.0018880800000000, 0.0066982400000000, -0.0007884300000000 ] - [ -0.0063082700000000, -0.0091989200000000, -0.0105440500000000 ] - [ 0.0132495100000000, -0.0053212900000000, -0.0119328000000000 ] - [ 0.0000608500000000, 0.0004546600000000, -0.0006496900000000 ] - [ 0.0001389300000000, -0.0002477400000000, -0.0006329600000000 ] - [ -0.0002327300000000, -0.0002570700000000, -0.0006571200000000 ] - [ -0.0023288000000000, -0.0037746900000000, -0.0001714300000000 ] - [ 0.0049793700000000, -0.0031085900000000, 0.0011459700000000 ] - [ -0.0047656500000000, 0.0038379000000000, -0.0081286500000000 ] - [ 0.0004630500000000, 0.0006847300000000, -0.0010825500000000 ] - [ 0.0003486900000000, -0.0011949000000000, -0.0007497300000000 ] - [ -0.0008592500000000, 0.0003407900000000, -0.0007548600000000 ] - [ 0.0000018500000000, -0.0001261300000000, -0.0009710700000000 ] - [ 0.0001143300000000, 0.0000564700000000, -0.0009687200000000 ] - [ -0.0000947900000000, 0.0000695200000000, -0.0009667900000000 ] - [ -0.0006370700000000, 0.0003316200000000, 0.0034260000000000 ] - [ 0.0009561300000000, -0.0014419500000000, -0.0007227400000000 ] - [ -0.1817088000000000, 0.2527031300000000, 0.0165667900000000 ] - [ 0.0003667300000000, 0.0004454000000000, 0.0028117200000000 ] - [ 0.0396721600000000, 0.1307331900000000, 0.0089774000000000 ] - [ -0.0606383000000000, 0.0379020700000000, 0.0536511300000000 ] - [ 0.0214289200000000, -0.0039319100000000, -0.0017992000000000 ] - [ 0.0026768200000000, -0.0068922300000000, -0.0008642200000000 ] - [ -0.0090131900000000, -0.0036510300000000, -0.0010270700000000 ] - [ 0.0030199900000000, -0.0051201500000000, 0.0030087000000000 ] - [ -0.0001234300000000, -0.0028747200000000, -0.0024800000000000 ] - [ 0.0097218600000000, 0.0074549600000000, 0.0156538800000000 ] - [ 0.0068983700000000, 0.0041193000000000, 0.0025117100000000 ] - [ -0.0035288200000000, -0.0225428800000000, -0.0014134400000000 ] - [ 0.0030201000000000, -0.0060211000000000, 0.0020088700000000 ] - [ -0.0005772600000000, -0.0013478100000000, -0.0013187900000000 ] - [ -0.0002565300000000, 0.0026772000000000, 0.0006231000000000 ] - [ 0.0063649500000000, 0.0022747900000000, -0.0009551900000000 ] - [ -0.0125651500000000, -0.0033427800000000, 0.0183918700000000 ] - [ -0.0037702400000000, -0.0016743100000000, 0.0021144800000000 ] - [ 0.0064943900000000, 0.0040617600000000, -0.0035549300000000 ] - [ -0.0026267000000000, 0.0068439000000000, -0.0038707000000000 ] - [ 0.0023404700000000, -0.0055872000000000, -0.0026732700000000 ] - [ -0.0618005200000000, 0.0377423500000000, -0.0697215800000000 ] - [ 0.0025989900000000, -0.0036543400000000, 0.0069616300000000 ] - [ -0.0024507700000000, 0.0053168500000000, 0.0035371300000000 ] - [ -0.0001528800000000, -0.0001763900000000, 0.0002704900000000 ] - [ -0.0021721600000000, -0.0008142600000000, -0.0008129700000000 ] - [ 0.0001547200000000, -0.0009374700000000, 0.0004849700000000 ] - [ 0.0001862800000000, 0.0000719800000000, 0.0001715100000000 ] - [ 0.0000453200000000, 0.0001392000000000, 0.0001396300000000 ] - [ -0.0008039000000000, 0.0003135600000000, 0.0005219600000000 ] - [ 0.0007164400000000, 0.0006178200000000, 0.0005733000000000 ] - [ 0.0004262800000000, 0.0004573800000000, 0.0005657600000000 ] - [ 0.0009301400000000, 0.0020108600000000, -0.0027815400000000 ] - [ -0.0009387400000000, 0.0009026000000000, 0.0003735500000000 ] - [ 0.0002914200000000, -0.0002816300000000, 0.0001923400000000 ] - [ 0.0000413100000000, -0.0000055500000000, 0.0002491500000000 ] - [ -0.0002327000000000, -0.0001210900000000, 0.0002344100000000 ] - [ 0.0004546900000000, 0.0005209800000000, 0.0006499500000000 ] - [ -0.0000020800000000, 0.0032271900000000, 0.0027255700000000 ] - [ -0.0021068900000000, -0.0008828000000000, -0.0029224500000000 ] - [ -0.0008913200000000, -0.0006568000000000, 0.0030559200000000 ] - [ 0.0012488100000000, -0.0004394700000000, 0.0017502300000000 ] - [ 0.0000972000000000, -0.0004347900000000, 0.0003269000000000 ] - [ 0.0035432100000000, -0.0033843500000000, 0.0006769500000000 ] - [ -0.0004479800000000, 0.0001897800000000, 0.0003639200000000 ] - [ 0.0003600300000000, 0.0002962500000000, 0.0003587500000000 ] - [ 0.0002296100000000, -0.0002800400000000, 0.0002426000000000 ] - [ 0.0001289200000000, 0.0003427900000000, 0.0002528700000000 ] - [ -0.0001035800000000, -0.0001137800000000, 0.0000891600000000 ] - [ -0.0003517300000000, -0.0000626900000000, 0.0002538400000000 ] - [ 0.0000808600000000, -0.0011882100000000, 0.0005748300000000 ] - [ -0.0005039100000000, 0.0002198500000000, 0.0008092400000000 ] - [ -0.0000077800000000, 0.0002736700000000, 0.0000347200000000 ] - [ -0.0010246400000000, 0.0008109500000000, 0.0006712700000000 ] - [ 0.0009748300000000, 0.0004174500000000, 0.0004880300000000 ] - [ 0.0005188000000000, -0.0002073000000000, 0.0007836300000000 ] - [ -0.0003022400000000, 0.0006256800000000, 0.0002139700000000 ] - [ -0.0000746500000000, 0.0005631900000000, 0.0007850100000000 ] - [ 0.0004107100000000, 0.0003459100000000, 0.0007152900000000 ] - [ 0.0001596600000000, -0.0002157300000000, 0.0000591400000000 ] - [ 0.0000257300000000, -0.0004886200000000, 0.0006725400000000 ] - [ -0.0004619500000000, -0.0000153900000000, 0.0004186400000000 ] - [ 0.0002468400000000, -0.0003894700000000, 0.0004120700000000 ] - [ -0.0003959900000000, -0.0005665800000000, 0.0002174200000000 ] - [ -0.0004441400000000, -0.0003509600000000, 0.0007851200000000 ] - [ 0.0002137000000000, 0.0004015200000000, 0.0004166100000000 ] - [ -0.0000756000000000, -0.0001282900000000, 0.0001592800000000 ] - [ 0.0006770900000000, -0.0000509700000000, 0.0002141400000000 ] - [ -0.0005248900000000, 0.0000318100000000, 0.0002301800000000 ] - [ 0.0004829900000000, 0.0001460100000000, 0.0007083300000000 ]- atom: 19 displacement: [ 0.0050000000144975, -0.0086602540294743, 0.0000000000000000 ] forces: - [ 0.0002549000000000, 0.0001510500000000, -0.0002431900000000 ] - [ -0.0036883900000000, -0.0036550600000000, -0.0046077800000000 ] - [ 0.0058086100000000, -0.0084847800000000, -0.0109479200000000 ] - [ 0.0002828200000000, 0.0001008000000000, 0.0007496500000000 ] - [ -0.0000180300000000, -0.0000016400000000, 0.0004231400000000 ] - [ 0.0000158700000000, -0.0000142100000000, 0.0002894100000000 ] - [ 0.0271678200000000, 0.0035399000000000, -0.0213988200000000 ] - [ 0.0013022000000000, -0.0020419100000000, -0.0016889700000000 ] - [ -0.0000644400000000, 0.0000348700000000, 0.0012116900000000 ] - [ 0.0354375300000000, -0.0513192500000000, 0.0354693400000000 ] - [ -0.0188916000000000, -0.0180110700000000, 0.0124370800000000 ] - [ -0.0019546400000000, -0.0003598000000000, 0.0004942600000000 ] - [ -0.0011252000000000, -0.0000215100000000, 0.0014459600000000 ] - [ 0.0000583400000000, 0.0000101700000000, 0.0011389400000000 ] - [ 0.0174308200000000, 0.0013878200000000, 0.0113227500000000 ] - [ 0.0000191300000000, 0.0000052700000000, 0.0005976600000000 ] - [ 0.0008776800000000, -0.0012905700000000, 0.0022392700000000 ] - [ 0.0000104300000000, 0.0000117200000000, 0.0012328000000000 ] - [ -0.2907378800000000, 0.4954344000000000, -0.0041703200000000 ] - [ 0.0190776600000000, 0.0000035300000000, 0.0006693900000000 ] - [ -0.0050201100000000, -0.0191022600000000, 0.0011658800000000 ] - [ 0.0021757800000000, -0.0064502900000000, 0.0003506700000000 ] - [ 0.0059552000000000, 0.0092724300000000, 0.0100962600000000 ] - [ -0.0131061300000000, 0.0049445400000000, 0.0114409800000000 ] - [ 0.0009474500000000, -0.0001081800000000, 0.0004077000000000 ] - [ -0.0003247700000000, -0.0007998500000000, 0.0003905000000000 ] - [ -0.0005592500000000, 0.0009438600000000, 0.0004136800000000 ] - [ 0.0025916800000000, 0.0039686300000000, -0.0002428400000000 ] - [ -0.0052548000000000, 0.0031978800000000, -0.0015566000000000 ] - [ 0.0048392200000000, -0.0041720700000000, 0.0077522800000000 ] - [ 0.0005454000000000, -0.0003412400000000, 0.0008413500000000 ] - [ -0.0005269800000000, 0.0001514500000000, 0.0005073600000000 ] - [ 0.0000800200000000, 0.0003329200000000, 0.0005101700000000 ] - [ 0.0002717800000000, 0.0003230200000000, 0.0005817500000000 ] - [ -0.0004113900000000, 0.0000713300000000, 0.0005777100000000 ] - [ 0.0001367100000000, -0.0004072000000000, 0.0005726400000000 ] - [ 0.0006231600000000, -0.0008591400000000, -0.0039391000000000 ] - [ -0.0004877100000000, 0.0016911800000000, 0.0001995100000000 ] - [ 0.1674697300000000, -0.2345549100000000, -0.0151355700000000 ] - [ -0.0008137500000000, -0.0001655800000000, -0.0033395800000000 ] - [ -0.0419305200000000, -0.1341257100000000, -0.0089754700000000 ] - [ 0.0600750200000000, -0.0366357400000000, -0.0533375900000000 ] - [ -0.0209393900000000, 0.0043088700000000, 0.0016191400000000 ] - [ -0.0043107400000000, 0.0076888200000000, 0.0011875600000000 ] - [ 0.0104082900000000, 0.0046768300000000, 0.0013572800000000 ] - [ -0.0021615800000000, 0.0049240600000000, -0.0022323900000000 ] - [ -0.0007047400000000, 0.0035780300000000, 0.0021236600000000 ] - [ -0.0099796500000000, -0.0066369900000000, -0.0148757500000000 ] - [ -0.0062639700000000, -0.0041185900000000, -0.0019952100000000 ] - [ 0.0035902100000000, 0.0219142600000000, 0.0012422500000000 ] - [ -0.0033548300000000, 0.0054637200000000, -0.0014768500000000 ] - [ -0.0005842100000000, 0.0012549800000000, 0.0015820900000000 ] - [ 0.0009109200000000, -0.0036218600000000, -0.0003731900000000 ] - [ -0.0065675200000000, -0.0033460300000000, 0.0005875500000000 ] - [ 0.0119804400000000, 0.0026673600000000, -0.0175634800000000 ] - [ 0.0042555000000000, 0.0027138900000000, -0.0018569400000000 ] - [ -0.0060049500000000, -0.0045159300000000, 0.0034162800000000 ] - [ 0.0036590500000000, -0.0064698200000000, 0.0035061500000000 ] - [ -0.0030099300000000, 0.0054303500000000, 0.0025609600000000 ] - [ 0.0614352900000000, -0.0362872700000000, 0.0696100300000000 ] - [ -0.0025703600000000, 0.0031201400000000, -0.0074975400000000 ] - [ 0.0029001400000000, -0.0050281200000000, -0.0040370400000000 ] - [ -0.0004185900000000, 0.0004357200000000, -0.0005000200000000 ] - [ 0.0017070600000000, 0.0010851400000000, 0.0002906200000000 ] - [ 0.0000125200000000, -0.0008562800000000, -0.0001429000000000 ] - [ -0.0004382700000000, 0.0004733600000000, 0.0003019500000000 ] - [ 0.0004632600000000, 0.0002254600000000, -0.0003685100000000 ] - [ -0.0008406200000000, 0.0004478300000000, -0.0001812000000000 ] - [ 0.0007455800000000, 0.0004265500000000, -0.0002324500000000 ] - [ 0.0004339600000000, -0.0006443500000000, 0.0001900700000000 ] - [ -0.0017335300000000, -0.0012412100000000, 0.0024393300000000 ] - [ 0.0006695800000000, -0.0000552200000000, 0.0003834700000000 ] - [ 0.0003013300000000, 0.0002224300000000, 0.0002778400000000 ] - [ 0.0000199200000000, -0.0006198800000000, -0.0004785300000000 ] - [ -0.0001169200000000, -0.0003636600000000, 0.0002327300000000 ] - [ -0.0016119800000000, -0.0006086100000000, -0.0003993100000000 ] - [ 0.0006492800000000, -0.0041332400000000, -0.0024317000000000 ] - [ 0.0018366500000000, -0.0001973100000000, 0.0025763100000000 ] - [ 0.0002992700000000, 0.0000043200000000, -0.0023109600000000 ] - [ -0.0007605600000000, 0.0014527000000000, -0.0014959700000000 ] - [ 0.0003568100000000, -0.0000513500000000, -0.0004660300000000 ] - [ -0.0024886300000000, 0.0037128800000000, -0.0010198400000000 ] - [ -0.0002024000000000, -0.0003387500000000, -0.0004997100000000 ] - [ -0.0001684200000000, 0.0003415900000000, -0.0005002100000000 ] - [ -0.0002381300000000, -0.0002540700000000, -0.0007712800000000 ] - [ 0.0003420500000000, -0.0000875400000000, -0.0007863400000000 ] - [ -0.0004687700000000, 0.0003743000000000, -0.0003206400000000 ] - [ -0.0001054500000000, 0.0003372300000000, -0.0007839400000000 ] - [ 0.0000905000000000, -0.0006014400000000, -0.0002308200000000 ] - [ 0.0002489900000000, 0.0003245500000000, -0.0003293300000000 ] - [ 0.0005070400000000, 0.0000901800000000, -0.0002643000000000 ] - [ -0.0006161100000000, -0.0000582700000000, -0.0003296800000000 ] - [ 0.0004770500000000, 0.0006290000000000, -0.0001453800000000 ] - [ 0.0003332300000000, 0.0000322400000000, -0.0000470800000000 ] - [ -0.0005063600000000, 0.0001372200000000, -0.0005469500000000 ] - [ -0.0001996500000000, 0.0002626200000000, -0.0000485200000000 ] - [ 0.0001834000000000, -0.0004013500000000, -0.0002392800000000 ] - [ -0.0000988300000000, -0.0004041900000000, -0.0002902000000000 ] - [ -0.0003742500000000, 0.0000013100000000, -0.0002007600000000 ] - [ -0.0007002600000000, -0.0000713100000000, -0.0001704900000000 ] - [ 0.0004045300000000, -0.0005606400000000, -0.0001648700000000 ] - [ 0.0001372300000000, -0.0005169700000000, -0.0005508500000000 ] - [ -0.0001375300000000, -0.0003002800000000, -0.0000452600000000 ] - [ 0.0002884300000000, 0.0006444200000000, -0.0001717400000000 ] - [ 0.0005278600000000, -0.0003591800000000, -0.0002981200000000 ] - [ 0.0003823200000000, 0.0003764700000000, -0.0005483300000000 ] - [ -0.0001294300000000, -0.0001743600000000, -0.0003600800000000 ] - [ -0.0002905300000000, 0.0004903800000000, -0.0008513100000000 ]- atom: 19 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0003059400000000, -0.0000267700000000, 0.0033753800000000 ] - [ 0.0010763600000000, 0.0015569500000000, -0.0043747500000000 ] - [ -0.0019401500000000, 0.0020778400000000, -0.0038036100000000 ] - [ 0.0008229500000000, 0.0000200700000000, 0.0028205300000000 ] - [ -0.0000129500000000, 0.0000007900000000, 0.0026078200000000 ] - [ 0.0000037800000000, -0.0000060500000000, 0.0021603500000000 ] - [ -0.0712142400000000, 0.0009579000000000, 0.0323718100000000 ] - [ -0.0015258400000000, 0.0001997000000000, 0.0076975700000000 ] - [ 0.0000327900000000, 0.0000484600000000, 0.0089848000000000 ] - [ 0.0040209100000000, -0.0045744500000000, -0.0185187900000000 ] - [ -0.0067687400000000, -0.0073798100000000, -0.0191480300000000 ] - [ 0.0006685200000000, 0.0006593300000000, 0.0064696200000000 ] - [ -0.0007685600000000, 0.0003662900000000, 0.0061041600000000 ] - [ 0.0001354100000000, -0.0000029200000000, 0.0074690700000000 ] - [ 0.0486537200000000, 0.0000958800000000, 0.0240133000000000 ] - [ -0.0000520500000000, 0.0000047600000000, 0.0065549400000000 ] - [ 0.0002180400000000, -0.0000623800000000, 0.0068464200000000 ] - [ -0.0000183800000000, 0.0000266000000000, 0.0075968700000000 ] - [ -0.0283386300000000, -0.0058309700000000, -0.6200880800000000 ] - [ -0.0014207200000000, -0.0058590000000000, -0.0381092500000000 ] - [ -0.0042900300000000, 0.0035298700000000, -0.0381119500000000 ] - [ 0.0015283400000000, 0.0120150200000000, 0.0008506900000000 ] - [ -0.0059588100000000, -0.0022245600000000, 0.0002652500000000 ] - [ 0.0040987400000000, -0.0102760200000000, 0.0034896200000000 ] - [ 0.0001229700000000, -0.0011615700000000, 0.0057215600000000 ] - [ -0.0007293900000000, 0.0005376300000000, 0.0057680500000000 ] - [ 0.0006551800000000, 0.0004664400000000, 0.0060363500000000 ] - [ 0.0002198600000000, 0.0002048600000000, 0.0013273900000000 ] - [ -0.0021183000000000, 0.0117003300000000, 0.0007321100000000 ] - [ -0.0023123900000000, -0.0124950400000000, 0.0041815400000000 ] - [ -0.0004153700000000, -0.0009742400000000, 0.0057189200000000 ] - [ -0.0006290700000000, 0.0007205300000000, 0.0060292700000000 ] - [ 0.0009858800000000, 0.0001387400000000, 0.0057638200000000 ] - [ 0.0014345400000000, 0.0015782000000000, 0.0054448600000000 ] - [ -0.0020781400000000, 0.0004469500000000, 0.0054444200000000 ] - [ 0.0006432900000000, -0.0020358900000000, 0.0054103500000000 ] - [ -0.0021039200000000, 0.0006337900000000, -0.0031616700000000 ] - [ 0.0007399200000000, -0.0025699000000000, -0.0029305000000000 ] - [ -0.0035419300000000, 0.0069264700000000, 0.0557350400000000 ] - [ 0.0013981800000000, 0.0018115500000000, -0.0028154400000000 ] - [ 0.0143002500000000, 0.0172757400000000, 0.0587375200000000 ] - [ -0.1007490300000000, -0.0085126000000000, 0.2054127500000000 ] - [ 0.0013167600000000, 0.0002172700000000, 0.0073380200000000 ] - [ -0.0009151900000000, 0.0003691200000000, 0.0071755300000000 ] - [ 0.0007598800000000, -0.0000749100000000, 0.0080330700000000 ] - [ 0.0012900600000000, -0.0039510000000000, 0.0044975400000000 ] - [ 0.0004655600000000, -0.0079838200000000, -0.0064907600000000 ] - [ 0.0018382200000000, 0.0043322300000000, 0.0053876600000000 ] - [ 0.0150589200000000, 0.0164230900000000, 0.0182934200000000 ] - [ 0.0002455400000000, -0.0020148800000000, 0.0067411100000000 ] - [ 0.0143792100000000, -0.0169072900000000, 0.0182787700000000 ] - [ -0.0022157600000000, -0.0022188100000000, -0.0008846500000000 ] - [ 0.0011356100000000, -0.0013953000000000, -0.0006547300000000 ] - [ 0.0104333400000000, 0.0007400000000000, -0.0040975500000000 ] - [ -0.0059492700000000, 0.0034089000000000, 0.0050308200000000 ] - [ 0.0004436200000000, 0.0028542900000000, 0.0000310800000000 ] - [ -0.0115836500000000, -0.0125975800000000, 0.0172749000000000 ] - [ -0.0003012300000000, 0.0071841700000000, -0.0069041200000000 ] - [ -0.0122921400000000, 0.0120809700000000, 0.0172941500000000 ] - [ 0.1333955800000000, -0.0043737000000000, 0.2613015500000000 ] - [ 0.0058489800000000, 0.0052615000000000, 0.0035769500000000 ] - [ 0.0010012200000000, 0.0033737900000000, 0.0031556200000000 ] - [ -0.0005880200000000, 0.0008581100000000, -0.0022571500000000 ] - [ -0.0011595400000000, -0.0038856700000000, 0.0039130500000000 ] - [ 0.0004089600000000, -0.0001539400000000, -0.0020441600000000 ] - [ 0.0021521800000000, 0.0004232900000000, -0.0031460300000000 ] - [ 0.0009250500000000, 0.0000732900000000, -0.0021509200000000 ] - [ -0.0005034500000000, -0.0003169900000000, -0.0020838500000000 ] - [ -0.0000650600000000, 0.0004984500000000, -0.0022636700000000 ] - [ 0.0001046700000000, 0.0004177800000000, -0.0011477400000000 ] - [ 0.0000116100000000, -0.0003577300000000, -0.0013238800000000 ] - [ -0.0004587200000000, -0.0024252600000000, -0.0020680900000000 ] - [ -0.0006712500000000, -0.0020701200000000, -0.0032268000000000 ] - [ -0.0002476300000000, -0.0008211100000000, -0.0021589900000000 ] - [ -0.0011493000000000, 0.0014662600000000, -0.0032149900000000 ] - [ -0.0026907700000000, 0.0001075500000000, 0.0002420500000000 ] - [ -0.0000308100000000, -0.0081640400000000, -0.0051642600000000 ] - [ 0.0023764700000000, -0.0028350600000000, -0.0025328000000000 ] - [ 0.0021413400000000, 0.0008740600000000, -0.0027766200000000 ] - [ 0.0011778400000000, 0.0082736000000000, -0.0065629000000000 ] - [ 0.0010366500000000, 0.0008888900000000, -0.0036536200000000 ] - [ -0.0004985300000000, 0.0033706600000000, -0.0008286200000000 ] - [ 0.0002885900000000, -0.0013914800000000, -0.0037322900000000 ] - [ -0.0013202200000000, 0.0004758900000000, -0.0036423400000000 ] - [ -0.0016471900000000, -0.0001352900000000, -0.0038963000000000 ] - [ 0.0009392900000000, -0.0013754500000000, -0.0039328400000000 ] - [ -0.0004124400000000, 0.0006465400000000, -0.0023078200000000 ] - [ 0.0007034900000000, 0.0015100900000000, -0.0039295800000000 ] - [ 0.0005850000000000, -0.0000896900000000, -0.0019584300000000 ] - [ 0.0023755900000000, 0.0003963600000000, -0.0033891800000000 ] - [ 0.0008217300000000, 0.0000658700000000, -0.0023874000000000 ] - [ -0.0004245200000000, -0.0003931900000000, -0.0019789100000000 ] - [ -0.0002028900000000, 0.0005626500000000, -0.0019490900000000 ] - [ -0.0003952900000000, 0.0009666900000000, -0.0028512700000000 ] - [ -0.0012378900000000, -0.0013499700000000, -0.0029363800000000 ] - [ -0.0006306500000000, -0.0008291300000000, -0.0028503100000000 ] - [ -0.0008802000000000, -0.0023104500000000, -0.0035105800000000 ] - [ -0.0003121900000000, -0.0007191900000000, -0.0023257500000000 ] - [ -0.0015379700000000, 0.0018646600000000, -0.0034138300000000 ] - [ -0.0016408500000000, -0.0002179800000000, -0.0019946400000000 ] - [ 0.0010032200000000, -0.0013017000000000, -0.0019908100000000 ] - [ 0.0017834200000000, -0.0004022700000000, -0.0029398000000000 ] - [ 0.0010252500000000, -0.0001369100000000, -0.0028290100000000 ] - [ 0.0006350200000000, 0.0015280300000000, -0.0019932800000000 ] - [ 0.0008182100000000, 0.0006625800000000, -0.0035890200000000 ] - [ -0.0005488700000000, 0.0017435100000000, -0.0029313800000000 ] - [ 0.0001321300000000, -0.0011318000000000, -0.0034215800000000 ] - [ -0.0010137400000000, 0.0004030400000000, -0.0033266300000000 ]- atom: 19 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0003136300000000, 0.0000262900000000, -0.0032499600000000 ] - [ -0.0011078700000000, -0.0015936800000000, 0.0042478500000000 ] - [ 0.0019162600000000, -0.0020441300000000, 0.0039051600000000 ] - [ -0.0008223700000000, -0.0000188300000000, -0.0029419200000000 ] - [ 0.0000116000000000, -0.0000009700000000, -0.0024909700000000 ] - [ -0.0000045700000000, 0.0000061700000000, -0.0022787500000000 ] - [ 0.0714257400000000, -0.0009673500000000, -0.0325681900000000 ] - [ 0.0015196700000000, -0.0001825500000000, -0.0077722700000000 ] - [ -0.0000363700000000, -0.0000446400000000, -0.0090623100000000 ] - [ -0.0041045000000000, 0.0046677600000000, 0.0182109100000000 ] - [ 0.0066890700000000, 0.0072930300000000, 0.0191347600000000 ] - [ -0.0006807200000000, -0.0006660200000000, -0.0059287300000000 ] - [ 0.0007604300000000, -0.0003680700000000, -0.0064508600000000 ] - [ -0.0001341600000000, 0.0000043400000000, -0.0073702600000000 ] - [ -0.0483325900000000, -0.0000901600000000, -0.0233370500000000 ] - [ 0.0000547200000000, -0.0000027700000000, -0.0068954200000000 ] - [ -0.0002294000000000, 0.0000635300000000, -0.0067530000000000 ] - [ 0.0000183000000000, -0.0000279700000000, -0.0070255100000000 ] - [ 0.0061317400000000, 0.0060158100000000, 0.6158452599999999 ] - [ 0.0012429900000000, 0.0048063200000000, 0.0378124000000000 ] - [ 0.0034982500000000, -0.0028487800000000, 0.0378095700000000 ] - [ -0.0011989400000000, -0.0117931400000000, -0.0012612100000000 ] - [ 0.0055097700000000, 0.0023371600000000, -0.0006988800000000 ] - [ -0.0039738300000000, 0.0099346700000000, -0.0039659000000000 ] - [ 0.0008841900000000, 0.0015074400000000, -0.0059590000000000 ] - [ 0.0005426200000000, -0.0015837100000000, -0.0060063200000000 ] - [ -0.0014451700000000, 0.0002193900000000, -0.0062721900000000 ] - [ 0.0000039000000000, 0.0000075700000000, -0.0017084400000000 ] - [ 0.0018525300000000, -0.0115693700000000, -0.0011467100000000 ] - [ 0.0024122400000000, 0.0121396900000000, -0.0045392800000000 ] - [ 0.0014212400000000, 0.0013172400000000, -0.0059572700000000 ] - [ 0.0004503200000000, -0.0017584000000000, -0.0062749100000000 ] - [ -0.0017616700000000, 0.0005329100000000, -0.0060061700000000 ] - [ -0.0011579700000000, -0.0013801000000000, -0.0058252000000000 ] - [ 0.0017786000000000, -0.0003175800000000, -0.0058262200000000 ] - [ -0.0006018200000000, 0.0016950600000000, -0.0057952600000000 ] - [ 0.0020897600000000, -0.0011643600000000, 0.0026338500000000 ] - [ -0.0002728400000000, 0.0028220300000000, 0.0023893600000000 ] - [ 0.0043037500000000, -0.0082801800000000, -0.0560819600000000 ] - [ -0.0018299200000000, -0.0015249000000000, 0.0022646600000000 ] - [ -0.0129683200000000, -0.0175587300000000, -0.0580109300000000 ] - [ 0.1104184800000000, 0.0095275500000000, -0.2153896100000000 ] - [ -0.0008356100000000, 0.0001587800000000, -0.0075453600000000 ] - [ -0.0007349900000000, 0.0003711600000000, -0.0068440400000000 ] - [ 0.0006774600000000, 0.0011113800000000, -0.0077021200000000 ] - [ -0.0004423800000000, 0.0037666000000000, -0.0037572500000000 ] - [ -0.0013433700000000, 0.0086831900000000, 0.0061359100000000 ] - [ -0.0020773500000000, -0.0035163900000000, -0.0046403400000000 ] - [ -0.0144811100000000, -0.0164417400000000, -0.0177526400000000 ] - [ -0.0001831500000000, 0.0014141500000000, -0.0069481600000000 ] - [ -0.0147385100000000, 0.0163859100000000, -0.0177426500000000 ] - [ 0.0010406900000000, 0.0021416900000000, 0.0011479800000000 ] - [ -0.0004480900000000, 0.0004385700000000, 0.0009166200000000 ] - [ -0.0105263600000000, -0.0018087200000000, 0.0036891900000000 ] - [ 0.0053831900000000, -0.0041018800000000, -0.0042722000000000 ] - [ 0.0000430100000000, -0.0018145200000000, 0.0002198000000000 ] - [ 0.0120748800000000, 0.0121771100000000, -0.0173953600000000 ] - [ 0.0012796400000000, -0.0068062200000000, 0.0065553100000000 ] - [ 0.0116826600000000, -0.0122814200000000, -0.0174022100000000 ] - [ -0.1227898800000000, 0.0047855100000000, -0.2472890200000000 ] - [ -0.0058184400000000, -0.0057543300000000, -0.0040930800000000 ] - [ -0.0005079100000000, -0.0030775800000000, -0.0036701200000000 ] - [ 0.0000190700000000, -0.0006018500000000, 0.0020267300000000 ] - [ 0.0006890800000000, 0.0041438200000000, -0.0044174500000000 ] - [ -0.0002371600000000, -0.0016339200000000, 0.0023814200000000 ] - [ -0.0023983100000000, 0.0001208000000000, 0.0036134100000000 ] - [ -0.0004201300000000, 0.0002910700000000, 0.0019203900000000 ] - [ -0.0011384300000000, 0.0010716500000000, 0.0024202700000000 ] - [ 0.0015189000000000, 0.0005471600000000, 0.0025988000000000 ] - [ 0.0007561500000000, -0.0006030800000000, 0.0018979700000000 ] - [ -0.0008080900000000, 0.0011123900000000, 0.0009804100000000 ] - [ 0.0001896800000000, 0.0032689500000000, 0.0028299000000000 ] - [ 0.0012616200000000, 0.0020047100000000, 0.0036901800000000 ] - [ 0.0003098900000000, 0.0001993200000000, 0.0019277300000000 ] - [ 0.0007982900000000, -0.0019488700000000, 0.0036748700000000 ] - [ 0.0015520400000000, -0.0001957600000000, 0.0000069400000000 ] - [ 0.0006455400000000, 0.0072671800000000, 0.0054669200000000 ] - [ -0.0026418900000000, 0.0017363600000000, 0.0021885400000000 ] - [ -0.0027412300000000, -0.0015237600000000, 0.0035298700000000 ] - [ -0.0007379500000000, -0.0072856800000000, 0.0068581400000000 ] - [ -0.0005807600000000, -0.0013748000000000, 0.0035185300000000 ] - [ 0.0015497500000000, -0.0030414900000000, 0.0004943800000000 ] - [ -0.0009392300000000, 0.0012407100000000, 0.0035990800000000 ] - [ 0.0015111100000000, 0.0001629100000000, 0.0035049300000000 ] - [ 0.0016394300000000, -0.0004007100000000, 0.0033566000000000 ] - [ -0.0004674100000000, 0.0016322400000000, 0.0033882000000000 ] - [ -0.0001567500000000, -0.0003900500000000, 0.0020744500000000 ] - [ -0.0011624800000000, -0.0012349000000000, 0.0033880400000000 ] - [ -0.0004086800000000, -0.0016948700000000, 0.0022974400000000 ] - [ -0.0026275900000000, 0.0001481000000000, 0.0038635600000000 ] - [ -0.0003282900000000, 0.0002967900000000, 0.0021577300000000 ] - [ -0.0012125000000000, 0.0011369800000000, 0.0023152900000000 ] - [ 0.0016474200000000, 0.0004850800000000, 0.0022860600000000 ] - [ 0.0012443200000000, -0.0011410400000000, 0.0035865500000000 ] - [ 0.0004265700000000, 0.0021091800000000, 0.0025980800000000 ] - [ 0.0003569600000000, 0.0016515600000000, 0.0035857200000000 ] - [ 0.0014740300000000, 0.0022533100000000, 0.0039836400000000 ] - [ 0.0003739500000000, 0.0001043300000000, 0.0020927900000000 ] - [ 0.0011878300000000, -0.0023500000000000, 0.0038805700000000 ] - [ 0.0004843200000000, 0.0001314200000000, 0.0022397800000000 ] - [ -0.0003552900000000, 0.0003571200000000, 0.0022346700000000 ] - [ -0.0020365200000000, -0.0006815100000000, 0.0026008300000000 ] - [ -0.0016042800000000, -0.0005121100000000, 0.0035674800000000 ] - [ -0.0001359600000000, -0.0004881300000000, 0.0022346500000000 ] - [ -0.0003651100000000, -0.0011520200000000, 0.0034609600000000 ] - [ 0.0016061600000000, -0.0014131400000000, 0.0025916800000000 ] - [ -0.0007886600000000, 0.0009913300000000, 0.0032992600000000 ] - [ 0.0012094500000000, 0.0002344100000000, 0.0031906100000000 ]- atom: 22 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0010287800000000, 0.0047183000000000, -0.0039615500000000 ] - [ 0.0116177700000000, -0.0008484600000000, -0.0112995300000000 ] - [ 0.0001014400000000, -0.0002660100000000, 0.0010182100000000 ] - [ -0.0000104300000000, 0.0000067100000000, 0.0004284900000000 ] - [ 0.0000007500000000, -0.0000055300000000, 0.0006578600000000 ] - [ 0.0000930100000000, -0.0004243400000000, -0.0000141900000000 ] - [ 0.0088662900000000, 0.0315999200000000, 0.0157200500000000 ] - [ 0.0000178800000000, -0.0000272600000000, 0.0019688700000000 ] - [ 0.0021710900000000, 0.0000529400000000, 0.0030644000000000 ] - [ 0.0084525400000000, -0.0166410100000000, 0.0108988500000000 ] - [ 0.0016016100000000, 0.0002432700000000, -0.0011542900000000 ] - [ 0.0603474300000000, -0.0043207200000000, 0.0352074100000000 ] - [ 0.0000180000000000, -0.0000039800000000, 0.0011852800000000 ] - [ -0.0000177300000000, 0.0000551800000000, 0.0015939200000000 ] - [ -0.0006119700000000, 0.0006089600000000, 0.0025175400000000 ] - [ -0.0007681600000000, 0.0018998200000000, 0.0002275400000000 ] - [ 0.0077525600000000, -0.0167833500000000, -0.0163279900000000 ] - [ 0.0000398500000000, -0.0000611100000000, 0.0017370100000000 ] - [ -0.0042106000000000, -0.0048898600000000, 0.0012207300000000 ] - [ -0.0050002700000000, 0.0044074500000000, 0.0007443100000000 ] - [ 0.0061201500000000, -0.0009469400000000, 0.0065972200000000 ] - [ -0.5670773099999999, 0.0160482500000000, 0.0031376300000000 ] - [ 0.0105291000000000, -0.0154468400000000, -0.0017250000000000 ] - [ 0.0114298100000000, 0.0149202400000000, -0.0021986200000000 ] - [ 0.0003142000000000, -0.0000894100000000, 0.0011688100000000 ] - [ -0.0002293300000000, -0.0002381600000000, 0.0011673500000000 ] - [ -0.0000724500000000, 0.0003251300000000, 0.0011764300000000 ] - [ 0.0007153400000000, 0.0001538100000000, 0.0007457300000000 ] - [ -0.0004282400000000, 0.0003592600000000, 0.0007713100000000 ] - [ -0.0003630100000000, -0.0005883300000000, 0.0006341900000000 ] - [ 0.0064395500000000, 0.0007584100000000, -0.0000344700000000 ] - [ -0.0053625100000000, -0.0068639700000000, 0.0109195600000000 ] - [ -0.0095028300000000, 0.0068286700000000, 0.0116802600000000 ] - [ 0.0007144600000000, 0.0006120100000000, 0.0010294500000000 ] - [ -0.0011797400000000, 0.0001059500000000, 0.0006902600000000 ] - [ 0.0005110500000000, -0.0009027100000000, 0.0007532300000000 ] - [ -0.0040577800000000, -0.0006052400000000, -0.0001158400000000 ] - [ 0.0706064100000000, -0.0433989600000000, -0.0732317000000000 ] - [ -0.0003486400000000, 0.0016847000000000, -0.0004912500000000 ] - [ -0.0002414100000000, 0.0068722800000000, -0.0014261000000000 ] - [ 0.0012727700000000, 0.0017925000000000, 0.0029458300000000 ] - [ 0.0054230000000000, 0.0001647000000000, -0.0039017700000000 ] - [ 0.0031802300000000, 0.0015470400000000, -0.0030732600000000 ] - [ 0.0002839700000000, -0.0029362600000000, 0.0024048000000000 ] - [ -0.0033902500000000, 0.0009323500000000, 0.0001757800000000 ] - [ 0.0636641000000000, -0.0427233600000000, 0.0692803800000000 ] - [ 0.0815709800000000, 0.0892986800000000, -0.0064821200000000 ] - [ 0.0003308600000000, 0.0085360100000000, 0.0046550900000000 ] - [ -0.0014250200000000, -0.0059589200000000, -0.0031637400000000 ] - [ -0.0015622800000000, -0.0001653100000000, -0.0018736500000000 ] - [ -0.0031694700000000, -0.0006717000000000, -0.0049064600000000 ] - [ 0.2818197500000000, -0.0170249100000000, -0.0128567400000000 ] - [ -0.0147042700000000, 0.0162867900000000, 0.0022274500000000 ] - [ -0.0084901000000000, -0.0011533900000000, 0.0020660900000000 ] - [ -0.0065819500000000, -0.0007243900000000, 0.0037357400000000 ] - [ -0.0165627000000000, -0.0139340200000000, 0.0022766100000000 ] - [ 0.0011652700000000, -0.0007398200000000, -0.0008993200000000 ] - [ 0.0028322100000000, -0.0110038100000000, 0.0027778000000000 ] - [ -0.0004892500000000, -0.0006205500000000, -0.0026129000000000 ] - [ 0.0009411400000000, 0.0008851600000000, -0.0005501800000000 ] - [ 0.0002352100000000, -0.0003047400000000, -0.0003378300000000 ] - [ 0.0000034700000000, 0.0000538700000000, -0.0006008600000000 ] - [ -0.0003268800000000, 0.0002519200000000, -0.0005693600000000 ] - [ -0.0002978900000000, 0.0002297900000000, -0.0006805700000000 ] - [ 0.0001987100000000, -0.0007228800000000, -0.0003020000000000 ] - [ 0.0004284100000000, 0.0003020000000000, -0.0005683400000000 ] - [ 0.0003783100000000, 0.0001582300000000, -0.0005703500000000 ] - [ -0.0007261800000000, 0.0002002700000000, -0.0002979500000000 ] - [ 0.0005251000000000, 0.0005242100000000, -0.0003015400000000 ] - [ 0.0002148400000000, 0.0001674100000000, -0.0002501900000000 ] - [ -0.0006093800000000, 0.0001143800000000, -0.0007725200000000 ] - [ -0.0002508500000000, 0.0001371700000000, -0.0002434700000000 ] - [ 0.0000455900000000, -0.0005154700000000, -0.0005649400000000 ] - [ -0.0000587600000000, -0.0004142400000000, -0.0005703400000000 ] - [ -0.0004777600000000, 0.0002256400000000, -0.0005730900000000 ] - [ -0.0010100800000000, -0.0000975300000000, -0.0004008500000000 ] - [ 0.0005131500000000, -0.0007135100000000, -0.0003215600000000 ] - [ 0.0001499900000000, -0.0005332600000000, -0.0007700200000000 ] - [ 0.0000288800000000, -0.0002737400000000, -0.0002074000000000 ] - [ 0.0005235400000000, 0.0008192700000000, -0.0003450300000000 ] - [ 0.0003839000000000, -0.0000156500000000, -0.0008175500000000 ] - [ 0.0004717000000000, 0.0004067200000000, -0.0008026000000000 ] - [ -0.0002185200000000, -0.0003296000000000, -0.0008286400000000 ] - [ -0.0001700000000000, 0.0003532900000000, -0.0008168100000000 ] - [ -0.0003871500000000, -0.0001977400000000, -0.0009895100000000 ] - [ 0.0003756600000000, -0.0002487100000000, -0.0010957800000000 ] - [ -0.0015010900000000, -0.0003922600000000, 0.0014395200000000 ] - [ 0.0000256900000000, 0.0004014200000000, -0.0009558700000000 ] - [ -0.0018141700000000, -0.0015600000000000, 0.0010641400000000 ] - [ -0.0018852300000000, 0.0001907500000000, 0.0008060900000000 ] - [ 0.0035991400000000, 0.0008785000000000, -0.0008700000000000 ] - [ -0.0015139000000000, 0.0048360700000000, -0.0012732400000000 ] - [ 0.0072699100000000, 0.0011239800000000, 0.0027083700000000 ] - [ 0.0001185200000000, 0.0001736500000000, -0.0004845100000000 ] - [ -0.0008468700000000, -0.0001608500000000, -0.0009665300000000 ] - [ 0.0000733300000000, 0.0001354300000000, 0.0000506600000000 ] - [ -0.0001128700000000, -0.0007609200000000, -0.0033599100000000 ] - [ 0.0000528500000000, -0.0044524700000000, -0.0021647700000000 ] - [ 0.0000877500000000, 0.0002507200000000, -0.0036368800000000 ] - [ -0.0009835900000000, -0.0000521100000000, -0.0002647900000000 ] - [ 0.0005799100000000, -0.0007031500000000, -0.0001524000000000 ] - [ 0.0006339200000000, -0.0004843600000000, -0.0010021000000000 ] - [ -0.0001443400000000, -0.0003929300000000, -0.0000120900000000 ] - [ 0.0002754800000000, 0.0008292400000000, -0.0002326700000000 ] - [ 0.0014076300000000, 0.0105322500000000, -0.0146388600000000 ] - [ -0.0000055400000000, 0.0007046300000000, -0.0009226000000000 ] - [ 0.0036542500000000, -0.0114682400000000, -0.0174325700000000 ] - [ -0.0050294500000000, 0.0000977600000000, -0.0020066800000000 ]- atom: 22 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0010376100000000, -0.0046907800000000, 0.0040586000000000 ] - [ -0.0117155100000000, 0.0008618000000000, 0.0112392100000000 ] - [ -0.0001056500000000, 0.0002657100000000, -0.0009121900000000 ] - [ 0.0000098400000000, -0.0000066100000000, -0.0005523000000000 ] - [ -0.0000021600000000, 0.0000054900000000, -0.0005487000000000 ] - [ -0.0000972300000000, 0.0004250600000000, -0.0001064800000000 ] - [ -0.0089300800000000, -0.0315805900000000, -0.0158008300000000 ] - [ -0.0000173800000000, 0.0000305700000000, -0.0020794600000000 ] - [ -0.0021715600000000, -0.0000502200000000, -0.0031751900000000 ] - [ -0.0085433900000000, 0.0165723600000000, -0.0111912100000000 ] - [ -0.0016087700000000, -0.0002422500000000, 0.0012427600000000 ] - [ -0.0609144700000000, 0.0043894800000000, -0.0348931000000000 ] - [ -0.0000222400000000, 0.0000086200000000, -0.0015429300000000 ] - [ 0.0000182600000000, -0.0000538000000000, -0.0015149100000000 ] - [ 0.0006184500000000, -0.0006091300000000, -0.0019706400000000 ] - [ 0.0007656800000000, -0.0018966200000000, -0.0005855100000000 ] - [ -0.0078290000000000, 0.0166956900000000, 0.0163475000000000 ] - [ -0.0000402300000000, 0.0000593800000000, -0.0011766500000000 ] - [ 0.0052434700000000, 0.0052569100000000, -0.0015011100000000 ] - [ 0.0048614800000000, -0.0054866200000000, -0.0010343200000000 ] - [ -0.0069202300000000, 0.0016349100000000, -0.0068632800000000 ] - [ 0.5925265500000000, -0.0191295200000000, -0.0041348800000000 ] - [ -0.0108263600000000, 0.0156587500000000, 0.0013422100000000 ] - [ -0.0113552900000000, -0.0153598300000000, 0.0018122600000000 ] - [ 0.0006967500000000, 0.0004391400000000, -0.0014184500000000 ] - [ 0.0000434000000000, -0.0008122800000000, -0.0014177500000000 ] - [ -0.0007230200000000, 0.0003614200000000, -0.0014269900000000 ] - [ -0.0004439500000000, 0.0000490000000000, -0.0011697200000000 ] - [ 0.0001224000000000, -0.0002308600000000, -0.0011966500000000 ] - [ 0.0004103700000000, 0.0002459400000000, -0.0010633800000000 ] - [ -0.0054501900000000, -0.0004288700000000, -0.0002476700000000 ] - [ 0.0052120600000000, 0.0058562700000000, -0.0112150200000000 ] - [ 0.0088128700000000, -0.0062058600000000, -0.0120136300000000 ] - [ -0.0004445700000000, -0.0004200400000000, -0.0014259600000000 ] - [ 0.0008890800000000, 0.0000201300000000, -0.0010878200000000 ] - [ -0.0004708300000000, 0.0005714600000000, -0.0011545900000000 ] - [ 0.0040618200000000, 0.0000937300000000, -0.0004051900000000 ] - [ -0.0708203200000000, 0.0433676200000000, 0.0719721900000000 ] - [ -0.0002187100000000, -0.0014325300000000, 0.0002648100000000 ] - [ -0.0002252900000000, -0.0066584000000000, 0.0009158500000000 ] - [ -0.0011116700000000, -0.0035984500000000, -0.0026177200000000 ] - [ -0.0057202500000000, 0.0003723900000000, 0.0044003300000000 ] - [ -0.0027105900000000, -0.0011988200000000, 0.0028950300000000 ] - [ -0.0019401000000000, 0.0037222400000000, -0.0020733600000000 ] - [ 0.0048589700000000, 0.0001103100000000, 0.0001620200000000 ] - [ -0.0638096800000000, 0.0425502600000000, -0.0684249200000000 ] - [ -0.0827477900000000, -0.0866005900000000, 0.0061308000000000 ] - [ -0.0006111900000000, -0.0077660100000000, -0.0039421400000000 ] - [ 0.0020366000000000, 0.0059566500000000, 0.0036729800000000 ] - [ 0.0016469900000000, -0.0004426600000000, 0.0016593100000000 ] - [ 0.0028591400000000, 0.0001289700000000, 0.0054026700000000 ] - [ -0.3052834900000000, 0.0186573700000000, 0.0144782800000000 ] - [ 0.0153542000000000, -0.0172352300000000, -0.0019362200000000 ] - [ 0.0082137500000000, 0.0000360000000000, -0.0024263900000000 ] - [ 0.0060053300000000, 0.0000967600000000, -0.0030062800000000 ] - [ 0.0170487600000000, 0.0149739800000000, -0.0019859900000000 ] - [ -0.0007290600000000, 0.0002442700000000, 0.0007896900000000 ] - [ -0.0018079000000000, 0.0114058000000000, -0.0031478600000000 ] - [ -0.0001674300000000, 0.0004855900000000, 0.0025033900000000 ] - [ -0.0007485800000000, -0.0002504000000000, 0.0004250900000000 ] - [ -0.0002312900000000, -0.0002278000000000, -0.0001721600000000 ] - [ 0.0004613900000000, 0.0002100900000000, 0.0000833900000000 ] - [ -0.0002438800000000, 0.0000047600000000, 0.0003412500000000 ] - [ -0.0001646000000000, 0.0000338600000000, 0.0001673400000000 ] - [ -0.0000320700000000, -0.0010708300000000, 0.0006463600000000 ] - [ -0.0006824800000000, 0.0002427100000000, 0.0010466200000000 ] - [ 0.0001282400000000, 0.0002065100000000, 0.0003418900000000 ] - [ -0.0009178700000000, 0.0005613000000000, 0.0006418300000000 ] - [ 0.0009373200000000, 0.0005200000000000, 0.0006446800000000 ] - [ 0.0006451200000000, -0.0003568700000000, 0.0010098800000000 ] - [ -0.0001994200000000, 0.0006479600000000, 0.0004475100000000 ] - [ -0.0000163300000000, 0.0007015300000000, 0.0010027700000000 ] - [ 0.0005483300000000, 0.0004577600000000, 0.0010397000000000 ] - [ 0.0001213700000000, -0.0002086500000000, 0.0003422200000000 ] - [ 0.0001296400000000, -0.0007122600000000, 0.0010447300000000 ] - [ -0.0001477700000000, 0.0000112700000000, 0.0006534000000000 ] - [ 0.0001383900000000, -0.0002391500000000, 0.0005743800000000 ] - [ -0.0004083000000000, -0.0005489900000000, 0.0004432400000000 ] - [ -0.0006224500000000, -0.0003774900000000, 0.0009679900000000 ] - [ -0.0000221900000000, 0.0002244100000000, 0.0005948100000000 ] - [ 0.0000698200000000, -0.0004713700000000, 0.0006826700000000 ] - [ 0.0005867300000000, -0.0000798000000000, 0.0004760800000000 ] - [ -0.0004324000000000, 0.0001816100000000, 0.0006971400000000 ] - [ 0.0003626400000000, 0.0002844800000000, 0.0006797000000000 ] - [ 0.0003809200000000, -0.0003368300000000, 0.0004643100000000 ] - [ 0.0000940000000000, 0.0005066100000000, 0.0005658700000000 ] - [ 0.0009344100000000, 0.0006496400000000, -0.0016586100000000 ] - [ -0.0004846900000000, -0.0001287000000000, 0.0004292100000000 ] - [ 0.0020143800000000, -0.0002050500000000, -0.0007293800000000 ] - [ 0.0016277500000000, 0.0003569200000000, -0.0003173700000000 ] - [ -0.0031038400000000, -0.0005159600000000, 0.0006420300000000 ] - [ -0.0001228400000000, -0.0040912500000000, 0.0016188900000000 ] - [ -0.0058823000000000, -0.0000870300000000, -0.0024200600000000 ] - [ 0.0007353500000000, -0.0003491000000000, 0.0012256800000000 ] - [ 0.0000381700000000, 0.0009253500000000, 0.0006348200000000 ] - [ -0.0003475600000000, 0.0006929600000000, 0.0006914400000000 ] - [ 0.0007080100000000, 0.0007054400000000, 0.0038425100000000 ] - [ -0.0000004400000000, 0.0038377100000000, 0.0019436200000000 ] - [ -0.0004474000000000, -0.0007329500000000, 0.0041164400000000 ] - [ -0.0001760100000000, -0.0000331000000000, 0.0005154900000000 ] - [ 0.0000690800000000, -0.0002451700000000, 0.0004012900000000 ] - [ -0.0008936000000000, -0.0005994100000000, 0.0006698800000000 ] - [ -0.0004396800000000, -0.0002606200000000, 0.0007581700000000 ] - [ 0.0002265600000000, 0.0002129200000000, 0.0004794600000000 ] - [ -0.0009354200000000, -0.0110096800000000, 0.0145352600000000 ] - [ 0.0010656800000000, -0.0003796300000000, 0.0005896800000000 ] - [ -0.0042911000000000, 0.0113280600000000, 0.0173817200000000 ] - [ 0.0052281800000000, 0.0005407500000000, 0.0018946400000000 ]- atom: 22 displacement: [ -0.0050000000144975, 0.0086602540294743, 0.0000000000000000 ] forces: - [ 0.0034372700000000, 0.0043211500000000, -0.0060609800000000 ] - [ -0.0057897800000000, -0.0004069600000000, 0.0051396600000000 ] - [ -0.0002462000000000, 0.0005158000000000, -0.0006089800000000 ] - [ 0.0000117000000000, -0.0000000600000000, 0.0002122400000000 ] - [ 0.0000000500000000, 0.0000003100000000, 0.0002870300000000 ] - [ -0.0002954700000000, 0.0006244500000000, 0.0009445300000000 ] - [ 0.0266088900000000, 0.0386434000000000, 0.0334182800000000 ] - [ -0.0000340300000000, 0.0000938100000000, 0.0006681100000000 ] - [ -0.0012950600000000, -0.0015161400000000, 0.0003006100000000 ] - [ -0.0190763500000000, 0.0344426200000000, -0.0309818400000000 ] - [ -0.0007674500000000, -0.0012571200000000, 0.0021423900000000 ] - [ -0.0315277900000000, -0.0019548400000000, -0.0223592800000000 ] - [ -0.0000048700000000, -0.0000198600000000, 0.0005529800000000 ] - [ 0.0000257200000000, -0.0000388500000000, 0.0007689500000000 ] - [ 0.0010621700000000, -0.0001304700000000, 0.0018516000000000 ] - [ 0.0015825100000000, -0.0006943800000000, -0.0008469700000000 ] - [ -0.0173952700000000, 0.0332929700000000, 0.0273281800000000 ] - [ -0.0000610400000000, 0.0000798200000000, 0.0012194200000000 ] - [ -0.0073481300000000, 0.0033873100000000, 0.0095008400000000 ] - [ 0.0109833200000000, 0.0047519800000000, 0.0046917900000000 ] - [ -0.0036854900000000, -0.0129992500000000, 0.0039051800000000 ] - [ 0.3046323100000000, -0.5188329000000000, 0.0101264800000000 ] - [ 0.0106782900000000, 0.0194893500000000, -0.0025525600000000 ] - [ -0.0222147200000000, 0.0033200800000000, -0.0016265800000000 ] - [ 0.0005042900000000, 0.0000304400000000, 0.0005113500000000 ] - [ -0.0002155100000000, -0.0004463200000000, 0.0005113600000000 ] - [ -0.0002704500000000, 0.0004005800000000, 0.0005004900000000 ] - [ 0.0002909200000000, 0.0006030600000000, 0.0005879500000000 ] - [ -0.0006458800000000, 0.0003450700000000, 0.0003434600000000 ] - [ 0.0002586300000000, -0.0008594800000000, 0.0003853500000000 ] - [ -0.0059571600000000, -0.0060104700000000, -0.0000914600000000 ] - [ 0.0000908300000000, 0.0051344300000000, -0.0092421800000000 ] - [ 0.0101084200000000, -0.0001705800000000, -0.0024879700000000 ] - [ -0.0001114200000000, 0.0003685900000000, 0.0001641300000000 ] - [ 0.0000060200000000, -0.0002988500000000, 0.0004080200000000 ] - [ 0.0000253500000000, -0.0000310400000000, 0.0003901100000000 ] - [ 0.0108309700000000, -0.0035422400000000, 0.0040737800000000 ] - [ -0.0682276500000000, 0.1056294900000000, 0.1197505600000000 ] - [ 0.0032198400000000, -0.0039483800000000, -0.0003079400000000 ] - [ -0.0036333100000000, -0.0122004900000000, 0.0048706200000000 ] - [ 0.0015720600000000, -0.0004785600000000, -0.0028554000000000 ] - [ 0.0058201500000000, -0.0029791500000000, -0.0094140900000000 ] - [ -0.0064114400000000, -0.0037101700000000, 0.0034047100000000 ] - [ -0.0024999700000000, 0.0004016800000000, -0.0012033100000000 ] - [ 0.0018906000000000, 0.0020725900000000, -0.0010114200000000 ] - [ -0.0684698000000000, 0.1184809100000000, -0.1330102400000000 ] - [ 0.0330061600000000, 0.1749829000000000, -0.0146365100000000 ] - [ -0.0039840200000000, -0.0115996100000000, -0.0033019300000000 ] - [ -0.0070551000000000, -0.0090770600000000, -0.0085491600000000 ] - [ 0.0052756200000000, 0.0049231000000000, 0.0047111900000000 ] - [ -0.0045697200000000, 0.0106807700000000, -0.0092310300000000 ] - [ -0.1667768100000000, 0.0461455800000000, 0.0087242200000000 ] - [ 0.0052079700000000, -0.0092202800000000, 0.0002771300000000 ] - [ -0.0144959800000000, -0.0070193300000000, 0.0031775600000000 ] - [ 0.0116450800000000, -0.0042260200000000, -0.0032269600000000 ] - [ 0.0113319000000000, 0.0060323100000000, 0.0001066600000000 ] - [ -0.0015298400000000, -0.0009972200000000, -0.0009095200000000 ] - [ 0.0068381000000000, -0.0092450600000000, 0.0020130000000000 ] - [ -0.0003166300000000, 0.0019007200000000, -0.0009923000000000 ] - [ -0.0000574500000000, 0.0000665400000000, -0.0030850200000000 ] - [ -0.0006182200000000, 0.0000592500000000, -0.0009522200000000 ] - [ 0.0005824200000000, -0.0002931900000000, -0.0010504700000000 ] - [ -0.0003340900000000, 0.0002152300000000, -0.0003368100000000 ] - [ 0.0000712800000000, 0.0003325900000000, -0.0006583700000000 ] - [ 0.0001086100000000, -0.0008269000000000, -0.0000580600000000 ] - [ 0.0000897700000000, 0.0002831400000000, -0.0001086100000000 ] - [ 0.0003557100000000, 0.0001829600000000, -0.0003391100000000 ] - [ -0.0007763500000000, 0.0003157000000000, -0.0000626100000000 ] - [ 0.0006522300000000, 0.0005180400000000, -0.0000588300000000 ] - [ 0.0003372200000000, -0.0000160300000000, -0.0000184300000000 ] - [ -0.0005242800000000, -0.0000126800000000, -0.0003654200000000 ] - [ -0.0001494600000000, 0.0002673700000000, 0.0000437000000000 ] - [ 0.0002041500000000, -0.0002325500000000, -0.0001162900000000 ] - [ -0.0000179700000000, -0.0003905200000000, -0.0003378200000000 ] - [ -0.0002912500000000, -0.0000769700000000, -0.0001067400000000 ] - [ -0.0006787100000000, -0.0001012400000000, -0.0001249900000000 ] - [ 0.0004281600000000, -0.0007473900000000, -0.0001952700000000 ] - [ 0.0002466000000000, -0.0005900000000000, -0.0003230600000000 ] - [ -0.0001699900000000, -0.0002540200000000, 0.0000269600000000 ] - [ 0.0002830800000000, 0.0008626100000000, -0.0002544400000000 ] - [ 0.0003389300000000, -0.0001045700000000, -0.0004842400000000 ] - [ 0.0002631500000000, 0.0005192700000000, -0.0002283700000000 ] - [ -0.0002495000000000, -0.0002328700000000, -0.0004648400000000 ] - [ -0.0000842900000000, 0.0003321100000000, -0.0004852800000000 ] - [ -0.0001817200000000, -0.0002876000000000, -0.0006404800000000 ] - [ 0.0003313500000000, -0.0000008600000000, -0.0005422600000000 ] - [ -0.0002363800000000, 0.0026249300000000, 0.0000206900000000 ] - [ -0.0001559800000000, 0.0003401800000000, -0.0006455600000000 ] - [ 0.0046408600000000, 0.0012996200000000, -0.0032443400000000 ] - [ 0.0017851600000000, 0.0012223900000000, -0.0007251100000000 ] - [ -0.0005701600000000, -0.0005868800000000, 0.0024392500000000 ] - [ 0.0007642100000000, -0.0041921600000000, 0.0008588500000000 ] - [ -0.0057334100000000, -0.0015021500000000, -0.0042059200000000 ] - [ 0.0004643500000000, -0.0003480200000000, 0.0005299400000000 ] - [ -0.0003523100000000, 0.0002808300000000, -0.0003327500000000 ] - [ -0.0002628500000000, 0.0007723800000000, 0.0002969900000000 ] - [ 0.0011367600000000, 0.0007563600000000, 0.0029816400000000 ] - [ -0.0016056300000000, -0.0004103800000000, 0.0012248000000000 ] - [ -0.0016196200000000, 0.0006030800000000, 0.0003648800000000 ] - [ -0.0004478400000000, -0.0001455900000000, -0.0001685900000000 ] - [ 0.0002875400000000, -0.0003357300000000, -0.0003116900000000 ] - [ -0.0001067600000000, -0.0003696300000000, -0.0002762500000000 ] - [ -0.0002739500000000, -0.0003285100000000, 0.0000630900000000 ] - [ 0.0002721300000000, 0.0004437400000000, -0.0002067300000000 ] - [ 0.0013667400000000, -0.0055559300000000, 0.0094542100000000 ] - [ 0.0005824500000000, 0.0002537200000000, -0.0003272300000000 ] - [ -0.0060280400000000, 0.0065421500000000, 0.0087680200000000 ] - [ 0.0039005800000000, 0.0016640900000000, 0.0023078600000000 ]- atom: 22 displacement: [ 0.0050000000144975, -0.0086602540294743, 0.0000000000000000 ] forces: - [ -0.0033862700000000, -0.0042798900000000, 0.0061365900000000 ] - [ 0.0057573100000000, 0.0003812400000000, -0.0052279100000000 ] - [ 0.0002427600000000, -0.0005133000000000, 0.0007144200000000 ] - [ -0.0000121400000000, 0.0000002000000000, -0.0003367900000000 ] - [ -0.0000014100000000, -0.0000003800000000, -0.0001788800000000 ] - [ 0.0002921900000000, -0.0006204800000000, -0.0010667000000000 ] - [ -0.0264835000000000, -0.0386227000000000, -0.0334649100000000 ] - [ 0.0000346400000000, -0.0000897700000000, -0.0007763000000000 ] - [ 0.0012867300000000, 0.0015029300000000, -0.0004108700000000 ] - [ 0.0190679000000000, -0.0344549800000000, 0.0309163100000000 ] - [ 0.0007613100000000, 0.0012478300000000, -0.0020625500000000 ] - [ 0.0313176000000000, 0.0018198200000000, 0.0227886400000000 ] - [ 0.0000006000000000, 0.0000244200000000, -0.0009104400000000 ] - [ -0.0000248900000000, 0.0000403000000000, -0.0006919100000000 ] - [ -0.0010530700000000, 0.0001319900000000, -0.0013009600000000 ] - [ -0.0015667400000000, 0.0006966400000000, 0.0004867300000000 ] - [ 0.0173964900000000, -0.0332988400000000, -0.0275074700000000 ] - [ 0.0000606800000000, -0.0000811600000000, -0.0006562300000000 ] - [ 0.0083806200000000, -0.0030309500000000, -0.0097610400000000 ] - [ -0.0111487000000000, -0.0058142500000000, -0.0050000300000000 ] - [ 0.0028805200000000, 0.0136470000000000, -0.0041754000000000 ] - [ -0.3053688900000000, 0.5175784600000000, -0.0117233500000000 ] - [ -0.0110910600000000, -0.0193849700000000, 0.0021750200000000 ] - [ 0.0223360300000000, -0.0036302000000000, 0.0012427000000000 ] - [ 0.0005016600000000, 0.0003194300000000, -0.0007567500000000 ] - [ 0.0000321800000000, -0.0005997200000000, -0.0007574400000000 ] - [ -0.0005225600000000, 0.0002816600000000, -0.0007469100000000 ] - [ -0.0000223400000000, -0.0004048700000000, -0.0010125900000000 ] - [ 0.0003458900000000, -0.0002146400000000, -0.0007721900000000 ] - [ -0.0002148600000000, 0.0005209800000000, -0.0008169200000000 ] - [ 0.0069367400000000, 0.0063322000000000, -0.0001574300000000 ] - [ -0.0002574800000000, -0.0061492700000000, 0.0089217400000000 ] - [ -0.0108492300000000, 0.0008434300000000, 0.0022333600000000 ] - [ 0.0003801000000000, -0.0001746700000000, -0.0005626200000000 ] - [ -0.0002968100000000, 0.0004226800000000, -0.0008073100000000 ] - [ 0.0000142200000000, -0.0003000100000000, -0.0007919400000000 ] - [ -0.0108646700000000, 0.0030060500000000, -0.0046026400000000 ] - [ 0.0700940200000000, -0.1069386600000000, -0.1257854800000000 ] - [ -0.0037919100000000, 0.0042037500000000, 0.0000698300000000 ] - [ 0.0031907500000000, 0.0124875600000000, -0.0053963300000000 ] - [ -0.0014069300000000, -0.0013119900000000, 0.0031867700000000 ] - [ -0.0061710500000000, 0.0035061700000000, 0.0099158100000000 ] - [ 0.0069042600000000, 0.0040516300000000, -0.0035926900000000 ] - [ 0.0008461800000000, 0.0003735500000000, 0.0015550800000000 ] - [ -0.0004246000000000, -0.0010238900000000, 0.0013510200000000 ] - [ 0.0705813100000000, -0.1209123400000000, 0.1401203300000000 ] - [ -0.0298923100000000, -0.1680148500000000, 0.0142958000000000 ] - [ 0.0037316900000000, 0.0124444100000000, 0.0040269800000000 ] - [ 0.0076878800000000, 0.0090784100000000, 0.0090678800000000 ] - [ -0.0051691000000000, -0.0055267000000000, -0.0048912000000000 ] - [ 0.0042145200000000, -0.0111935000000000, 0.0096812800000000 ] - [ 0.1600861300000000, -0.0470010800000000, -0.0080258900000000 ] - [ -0.0045111800000000, 0.0082700700000000, -0.0000096600000000 ] - [ 0.0143532400000000, 0.0059427100000000, -0.0035682000000000 ] - [ -0.0122556900000000, 0.0035761000000000, 0.0039553800000000 ] - [ -0.0108949100000000, -0.0050376600000000, 0.0001607600000000 ] - [ 0.0019680700000000, 0.0004965200000000, 0.0008041400000000 ] - [ -0.0058281300000000, 0.0095597700000000, -0.0023979700000000 ] - [ -0.0003424200000000, -0.0020284600000000, 0.0008807600000000 ] - [ 0.0002497200000000, 0.0005695000000000, 0.0029545200000000 ] - [ 0.0006228600000000, -0.0005910600000000, 0.0004453200000000 ] - [ -0.0001167400000000, 0.0005577200000000, 0.0005344400000000 ] - [ -0.0002350300000000, 0.0000390500000000, 0.0001047700000000 ] - [ -0.0005347200000000, -0.0000697600000000, 0.0001498500000000 ] - [ 0.0000587400000000, -0.0009645600000000, 0.0004045400000000 ] - [ -0.0003464500000000, 0.0002616000000000, 0.0005883200000000 ] - [ 0.0001477400000000, 0.0001816200000000, 0.0001067500000000 ] - [ -0.0008660300000000, 0.0004437600000000, 0.0004085700000000 ] - [ 0.0008076700000000, 0.0005259100000000, 0.0004041000000000 ] - [ 0.0005245000000000, -0.0001744800000000, 0.0007793800000000 ] - [ -0.0002869000000000, 0.0007729300000000, 0.0000386900000000 ] - [ -0.0001174400000000, 0.0005736600000000, 0.0007174000000000 ] - [ 0.0003911600000000, 0.0001770800000000, 0.0005922100000000 ] - [ 0.0000819800000000, -0.0002297000000000, 0.0001057100000000 ] - [ -0.0000554700000000, -0.0004122200000000, 0.0005800500000000 ] - [ -0.0004797600000000, 0.0000165600000000, 0.0003755000000000 ] - [ 0.0002220200000000, -0.0002072200000000, 0.0004460200000000 ] - [ -0.0005025100000000, -0.0004939000000000, -0.0000045200000000 ] - [ -0.0004254900000000, -0.0003979200000000, 0.0007352100000000 ] - [ 0.0002204300000000, 0.0001814800000000, 0.0005021100000000 ] - [ 0.0001144000000000, -0.0003831000000000, 0.0003470000000000 ] - [ 0.0007946800000000, -0.0001895600000000, -0.0000991300000000 ] - [ -0.0004017900000000, 0.0000856800000000, 0.0003309600000000 ] - [ 0.0002777600000000, 0.0003057500000000, 0.0003458300000000 ] - [ 0.0001736200000000, -0.0002463900000000, 0.0001153600000000 ] - [ 0.0001387200000000, 0.0002570600000000, 0.0000132300000000 ] - [ -0.0003347500000000, -0.0023572900000000, -0.0002534900000000 ] - [ -0.0003014600000000, -0.0000658800000000, 0.0001193300000000 ] - [ -0.0044318800000000, -0.0030798800000000, 0.0035589300000000 ] - [ -0.0020321600000000, -0.0006724700000000, 0.0012023900000000 ] - [ 0.0010565900000000, 0.0009474700000000, -0.0026494800000000 ] - [ -0.0024003100000000, 0.0049326500000000, -0.0005021300000000 ] - [ 0.0071504900000000, 0.0025254100000000, 0.0045030600000000 ] - [ 0.0003903400000000, 0.0001687800000000, 0.0002155300000000 ] - [ -0.0004554300000000, 0.0004867000000000, 0.0000068000000000 ] - [ -0.0000119600000000, 0.0000598800000000, 0.0004486000000000 ] - [ -0.0005355200000000, -0.0008001000000000, -0.0024813100000000 ] - [ 0.0016572500000000, -0.0002205500000000, -0.0014556200000000 ] - [ 0.0012626000000000, -0.0010807500000000, 0.0000970200000000 ] - [ -0.0007116300000000, 0.0000611800000000, 0.0004187800000000 ] - [ 0.0003601800000000, -0.0006127400000000, 0.0005599800000000 ] - [ -0.0001551600000000, -0.0007132000000000, -0.0000496400000000 ] - [ -0.0003103100000000, -0.0003249600000000, 0.0006827800000000 ] - [ 0.0002316500000000, 0.0005982600000000, 0.0004534100000000 ] - [ -0.0008869400000000, 0.0050793800000000, -0.0095397100000000 ] - [ 0.0004807900000000, 0.0000698100000000, 0.0000002500000000 ] - [ 0.0053787500000000, -0.0067037000000000, -0.0089068800000000 ] - [ -0.0036902000000000, -0.0010211700000000, -0.0024342400000000 ]- atom: 22 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0009164400000000, -0.0032206900000000, -0.0053335600000000 ] - [ -0.0023840400000000, 0.0004447900000000, -0.0040098900000000 ] - [ 0.0002830300000000, -0.0005562300000000, 0.0030260600000000 ] - [ -0.0000021600000000, 0.0000108100000000, 0.0019781700000000 ] - [ 0.0000114500000000, -0.0000012000000000, 0.0023918700000000 ] - [ -0.0003918700000000, 0.0006828000000000, 0.0025553400000000 ] - [ 0.0011969900000000, 0.0098084600000000, -0.0197287900000000 ] - [ 0.0000756100000000, -0.0001334800000000, 0.0084488300000000 ] - [ -0.0001163100000000, -0.0012472400000000, 0.0078425200000000 ] - [ 0.0216827300000000, -0.0377996600000000, 0.0237691000000000 ] - [ -0.0008930700000000, 0.0006088200000000, 0.0059224400000000 ] - [ 0.0089660200000000, -0.0021674300000000, -0.0171922200000000 ] - [ -0.0000549400000000, 0.0000098400000000, 0.0058511400000000 ] - [ -0.0000108600000000, -0.0000671100000000, 0.0067274000000000 ] - [ -0.0005129500000000, 0.0004266100000000, 0.0064832900000000 ] - [ 0.0003708100000000, -0.0014344100000000, 0.0049621600000000 ] - [ -0.0204310900000000, 0.0399452400000000, 0.0222338500000000 ] - [ -0.0000794500000000, 0.0001208600000000, 0.0071885800000000 ] - [ 0.0026262600000000, 0.0007690300000000, 0.0009225700000000 ] - [ -0.0104062300000000, -0.0063049000000000, 0.0003398700000000 ] - [ 0.0069312000000000, 0.0096059600000000, 0.0036146800000000 ] - [ -0.0025610200000000, 0.0249224900000000, -0.6361875200000000 ] - [ 0.0032879800000000, -0.0002652600000000, -0.0336722800000000 ] - [ -0.0023453700000000, 0.0029706800000000, -0.0336820800000000 ] - [ -0.0001468500000000, -0.0010950000000000, 0.0055170400000000 ] - [ -0.0008631400000000, 0.0006834300000000, 0.0055169900000000 ] - [ 0.0010351500000000, 0.0004014700000000, 0.0054843600000000 ] - [ 0.0013604400000000, 0.0012241100000000, 0.0047036700000000 ] - [ -0.0016913200000000, 0.0002736000000000, 0.0048318700000000 ] - [ 0.0006293100000000, -0.0015425800000000, 0.0052044400000000 ] - [ -0.0092443000000000, -0.0054468600000000, 0.0014014900000000 ] - [ 0.0012470300000000, 0.0002251500000000, 0.0008118100000000 ] - [ 0.0104937600000000, 0.0031984700000000, 0.0042098500000000 ] - [ 0.0010892300000000, 0.0015696700000000, 0.0047184500000000 ] - [ -0.0015914400000000, 0.0002045800000000, 0.0052160200000000 ] - [ 0.0005762400000000, -0.0016200400000000, 0.0048448600000000 ] - [ 0.0166164500000000, -0.0043661200000000, 0.0158185500000000 ] - [ -0.0659725000000000, 0.0973374800000000, 0.2336924600000000 ] - [ -0.0016748200000000, 0.0017045800000000, -0.0003703100000000 ] - [ -0.0056929300000000, -0.0166470800000000, 0.0163357400000000 ] - [ 0.0006172600000000, -0.0016460600000000, -0.0009313600000000 ] - [ -0.0033841000000000, -0.0013669200000000, 0.0033567400000000 ] - [ 0.0066883000000000, 0.0043564400000000, -0.0050834400000000 ] - [ 0.0017148900000000, 0.0007949500000000, -0.0010830300000000 ] - [ -0.0016925000000000, -0.0003564800000000, -0.0000897500000000 ] - [ 0.0724338300000000, -0.1248291100000000, 0.2569230600000000 ] - [ 0.0004397800000000, 0.0017846900000000, 0.0539300000000000 ] - [ 0.0041447100000000, 0.0158648900000000, 0.0147249500000000 ] - [ 0.0045038200000000, 0.0050185900000000, 0.0058900200000000 ] - [ -0.0054475300000000, -0.0049699300000000, -0.0063260100000000 ] - [ -0.0003968300000000, -0.0093075700000000, 0.0042103900000000 ] - [ -0.0081968600000000, 0.0005900700000000, 0.0570150000000000 ] - [ 0.0000723300000000, -0.0000901300000000, 0.0071866100000000 ] - [ -0.0049723000000000, -0.0013455800000000, 0.0082925300000000 ] - [ -0.0156494800000000, 0.0036318100000000, 0.0150202600000000 ] - [ 0.0006076500000000, -0.0005048200000000, 0.0064766000000000 ] - [ 0.0024266800000000, 0.0016430100000000, -0.0025088600000000 ] - [ 0.0036898300000000, -0.0043427500000000, 0.0089968700000000 ] - [ -0.0000571400000000, -0.0027803000000000, -0.0031678100000000 ] - [ -0.0009314500000000, 0.0002995700000000, -0.0018379800000000 ] - [ -0.0011893600000000, -0.0003280600000000, -0.0035984500000000 ] - [ 0.0007777800000000, -0.0010623400000000, -0.0032553200000000 ] - [ -0.0005411200000000, 0.0007582500000000, -0.0020760400000000 ] - [ 0.0005158400000000, 0.0012953600000000, -0.0034494800000000 ] - [ 0.0005262800000000, -0.0001386800000000, -0.0018469400000000 ] - [ 0.0022049000000000, 0.0004254300000000, -0.0032099200000000 ] - [ 0.0009263500000000, 0.0000900800000000, -0.0020683300000000 ] - [ -0.0003839100000000, -0.0003881000000000, -0.0018572600000000 ] - [ -0.0001546600000000, 0.0005350700000000, -0.0018487700000000 ] - [ -0.0003035100000000, 0.0008631900000000, -0.0024794600000000 ] - [ -0.0011582800000000, -0.0010382400000000, -0.0027311900000000 ] - [ -0.0005916000000000, -0.0006718200000000, -0.0025088500000000 ] - [ -0.0007543100000000, -0.0021190800000000, -0.0032121400000000 ] - [ -0.0003806700000000, -0.0008438900000000, -0.0020711800000000 ] - [ -0.0014699200000000, 0.0017163400000000, -0.0032051700000000 ] - [ -0.0015789000000000, -0.0002040300000000, -0.0017996300000000 ] - [ 0.0009172100000000, -0.0011644500000000, -0.0017222100000000 ] - [ 0.0014824600000000, -0.0003559000000000, -0.0027668500000000 ] - [ 0.0009277400000000, -0.0001893700000000, -0.0026320200000000 ] - [ 0.0005632200000000, 0.0012486100000000, -0.0017445600000000 ] - [ 0.0010237400000000, 0.0007930500000000, -0.0034674100000000 ] - [ -0.0004290300000000, 0.0015701000000000, -0.0029582100000000 ] - [ 0.0001846400000000, -0.0012651600000000, -0.0034315400000000 ] - [ -0.0012057500000000, 0.0004638400000000, -0.0034695000000000 ] - [ -0.0014976700000000, -0.0001638700000000, -0.0035586100000000 ] - [ 0.0008896800000000, -0.0012033500000000, -0.0034934700000000 ] - [ 0.0013509700000000, 0.0024228400000000, -0.0017460000000000 ] - [ 0.0006183900000000, 0.0014482100000000, -0.0036832000000000 ] - [ 0.0061035400000000, 0.0020339200000000, -0.0045646600000000 ] - [ 0.0033229200000000, 0.0011549500000000, -0.0024904800000000 ] - [ -0.0003493000000000, 0.0009370800000000, -0.0008335500000000 ] - [ -0.0002131600000000, -0.0015035300000000, 0.0004347200000000 ] - [ -0.0062818900000000, -0.0020192800000000, -0.0060390500000000 ] - [ -0.0002052100000000, 0.0006579300000000, -0.0021586800000000 ] - [ -0.0011315700000000, -0.0011362500000000, -0.0026270100000000 ] - [ -0.0006114300000000, -0.0003374000000000, -0.0025572100000000 ] - [ -0.0002957500000000, -0.0010152900000000, -0.0012255700000000 ] - [ -0.0018369100000000, -0.0019939300000000, -0.0000743800000000 ] - [ -0.0028587000000000, 0.0022318900000000, -0.0032374800000000 ] - [ -0.0013650100000000, -0.0002881600000000, -0.0018377000000000 ] - [ 0.0009003600000000, -0.0011362400000000, -0.0020493600000000 ] - [ 0.0014278700000000, -0.0003018900000000, -0.0026139000000000 ] - [ 0.0008274300000000, -0.0001292800000000, -0.0024616100000000 ] - [ 0.0005934300000000, 0.0012824000000000, -0.0018796400000000 ] - [ -0.0026565800000000, -0.0017810400000000, 0.0038023300000000 ] - [ -0.0004179800000000, 0.0015671700000000, -0.0025943700000000 ] - [ -0.0076607600000000, 0.0022892000000000, 0.0036331700000000 ] - [ 0.0043307200000000, 0.0013157500000000, 0.0038825500000000 ]- atom: 22 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0009389400000000, 0.0032690600000000, 0.0054520000000000 ] - [ 0.0023352100000000, -0.0004408800000000, 0.0038837200000000 ] - [ -0.0002841800000000, 0.0005540100000000, -0.0029176000000000 ] - [ 0.0000015900000000, -0.0000106000000000, -0.0020994100000000 ] - [ -0.0000129200000000, 0.0000011000000000, -0.0022817900000000 ] - [ 0.0003939300000000, -0.0006826300000000, -0.0026726700000000 ] - [ -0.0011912700000000, -0.0097730800000000, 0.0194772800000000 ] - [ -0.0000743400000000, 0.0001360300000000, -0.0085533100000000 ] - [ 0.0001021000000000, 0.0012517400000000, -0.0079417900000000 ] - [ -0.0215324400000000, 0.0375178000000000, -0.0240339500000000 ] - [ 0.0008738000000000, -0.0006062900000000, -0.0058265900000000 ] - [ -0.0091065800000000, 0.0021871400000000, 0.0178201700000000 ] - [ 0.0000500600000000, -0.0000052200000000, -0.0062063200000000 ] - [ 0.0000118300000000, 0.0000690900000000, -0.0066438600000000 ] - [ 0.0005187200000000, -0.0004230500000000, -0.0059320100000000 ] - [ -0.0003629300000000, 0.0014494000000000, -0.0053252400000000 ] - [ 0.0206083800000000, -0.0401917600000000, -0.0222501400000000 ] - [ 0.0000802400000000, -0.0001231900000000, -0.0066268100000000 ] - [ -0.0016104100000000, -0.0003674700000000, -0.0011973300000000 ] - [ 0.0102293500000000, 0.0052019400000000, -0.0006312400000000 ] - [ -0.0076798400000000, -0.0089418700000000, -0.0038484100000000 ] - [ -0.0097988700000000, -0.0044841100000000, 0.6361495500000000 ] - [ -0.0035989300000000, 0.0003979100000000, 0.0332868700000000 ] - [ 0.0023818500000000, -0.0033082500000000, 0.0332770100000000 ] - [ 0.0011557100000000, 0.0014433500000000, -0.0057628600000000 ] - [ 0.0006774000000000, -0.0017316300000000, -0.0057636100000000 ] - [ -0.0018287100000000, 0.0002842000000000, -0.0057310200000000 ] - [ -0.0010876000000000, -0.0010233600000000, -0.0051249900000000 ] - [ 0.0013866600000000, -0.0001436000000000, -0.0052550300000000 ] - [ -0.0005816000000000, 0.0012008800000000, -0.0056257900000000 ] - [ 0.0102668300000000, 0.0057288600000000, -0.0016452600000000 ] - [ -0.0014614600000000, -0.0012196800000000, -0.0010787800000000 ] - [ -0.0112522800000000, -0.0025780300000000, -0.0045224500000000 ] - [ -0.0008189400000000, -0.0013759300000000, -0.0051117500000000 ] - [ 0.0012973000000000, -0.0000795900000000, -0.0056157200000000 ] - [ -0.0005356900000000, 0.0012857100000000, -0.0052434300000000 ] - [ -0.0165213900000000, 0.0038148300000000, -0.0163226600000000 ] - [ 0.0722391200000000, -0.1052718400000000, -0.2471683300000000 ] - [ 0.0011047000000000, -0.0014546700000000, 0.0001520100000000 ] - [ 0.0051927800000000, 0.0168499300000000, -0.0168569600000000 ] - [ -0.0004428100000000, -0.0001684800000000, 0.0012675100000000 ] - [ 0.0030741000000000, 0.0018841400000000, -0.0028289900000000 ] - [ -0.0062223700000000, -0.0039760000000000, 0.0049062400000000 ] - [ -0.0033528900000000, -0.0000086600000000, 0.0014216000000000 ] - [ 0.0031465500000000, 0.0014038200000000, 0.0004354200000000 ] - [ -0.0663826500000000, 0.1153995900000000, -0.2434088900000000 ] - [ -0.0019776900000000, -0.0030383400000000, -0.0542673900000000 ] - [ -0.0044456500000000, -0.0151052300000000, -0.0139997100000000 ] - [ -0.0038849600000000, -0.0050243400000000, -0.0053698100000000 ] - [ 0.0055148900000000, 0.0044029700000000, 0.0061416600000000 ] - [ 0.0000349400000000, 0.0087389600000000, -0.0037143500000000 ] - [ 0.0091395100000000, -0.0009239600000000, -0.0568866000000000 ] - [ 0.0005657800000000, -0.0008530300000000, -0.0069285800000000 ] - [ 0.0047250800000000, 0.0002661000000000, -0.0086439200000000 ] - [ 0.0151371400000000, -0.0042867500000000, -0.0142881100000000 ] - [ -0.0001219100000000, 0.0015479200000000, -0.0062219600000000 ] - [ -0.0019873700000000, -0.0021393000000000, 0.0024036400000000 ] - [ -0.0026184200000000, 0.0046719300000000, -0.0093478300000000 ] - [ -0.0006048400000000, 0.0026530700000000, 0.0030595900000000 ] - [ 0.0011292600000000, 0.0003309600000000, 0.0017190000000000 ] - [ 0.0011915400000000, -0.0002059600000000, 0.0030839300000000 ] - [ -0.0003104400000000, 0.0013241700000000, 0.0027375800000000 ] - [ -0.0000329800000000, -0.0004968700000000, 0.0018486600000000 ] - [ -0.0009768700000000, -0.0010287000000000, 0.0029355700000000 ] - [ -0.0003610300000000, -0.0016577900000000, 0.0021898100000000 ] - [ -0.0024613500000000, 0.0001193500000000, 0.0036869500000000 ] - [ -0.0004138500000000, 0.0002752100000000, 0.0018408500000000 ] - [ -0.0012618500000000, 0.0011526900000000, 0.0021997000000000 ] - [ 0.0016200600000000, 0.0005092000000000, 0.0021903800000000 ] - [ 0.0011627400000000, -0.0010559700000000, 0.0032371800000000 ] - [ 0.0003489700000000, 0.0017986300000000, 0.0023987800000000 ] - [ 0.0003281100000000, 0.0015118700000000, 0.0032665300000000 ] - [ 0.0013496700000000, 0.0020635300000000, 0.0036861500000000 ] - [ 0.0004408400000000, 0.0002154700000000, 0.0018439000000000 ] - [ 0.0011231200000000, -0.0022055100000000, 0.0036757200000000 ] - [ 0.0004194400000000, 0.0001151300000000, 0.0020514900000000 ] - [ -0.0002623900000000, 0.0002110000000000, 0.0019746400000000 ] - [ -0.0017383600000000, -0.0007257400000000, 0.0024326900000000 ] - [ -0.0015231500000000, -0.0004593000000000, 0.0033891100000000 ] - [ -0.0000635200000000, -0.0002030700000000, 0.0019933000000000 ] - [ -0.0005710700000000, -0.0012824800000000, 0.0033360000000000 ] - [ 0.0014849000000000, -0.0012409800000000, 0.0026227400000000 ] - [ -0.0008369400000000, 0.0011191400000000, 0.0033030800000000 ] - [ 0.0014008900000000, 0.0001743100000000, 0.0033355600000000 ] - [ 0.0014874800000000, -0.0003712100000000, 0.0030293400000000 ] - [ -0.0004173300000000, 0.0014578000000000, 0.0029592900000000 ] - [ -0.0019525800000000, -0.0021478100000000, 0.0015307200000000 ] - [ -0.0010755000000000, -0.0011721600000000, 0.0031539600000000 ] - [ -0.0059022200000000, -0.0037648900000000, 0.0048458200000000 ] - [ -0.0035638700000000, -0.0005992300000000, 0.0029565400000000 ] - [ 0.0008694400000000, -0.0005893400000000, 0.0006178500000000 ] - [ -0.0014209400000000, 0.0022450300000000, -0.0000982000000000 ] - [ 0.0076708400000000, 0.0030928600000000, 0.0063402500000000 ] - [ 0.0010590300000000, -0.0008394100000000, 0.0029016000000000 ] - [ 0.0003254100000000, 0.0019015100000000, 0.0022920600000000 ] - [ 0.0003407200000000, 0.0011668700000000, 0.0033041900000000 ] - [ 0.0008964600000000, 0.0009547200000000, 0.0016999700000000 ] - [ 0.0018917700000000, 0.0013726700000000, -0.0001510300000000 ] - [ 0.0025028300000000, -0.0027130400000000, 0.0037103000000000 ] - [ 0.0002024600000000, 0.0002005100000000, 0.0020868000000000 ] - [ -0.0002486700000000, 0.0001874500000000, 0.0022986400000000 ] - [ -0.0016876000000000, -0.0007813400000000, 0.0022784000000000 ] - [ -0.0014152300000000, -0.0005213000000000, 0.0032088900000000 ] - [ -0.0000918100000000, -0.0002356200000000, 0.0021260900000000 ] - [ 0.0031428800000000, 0.0012889100000000, -0.0039500800000000 ] - [ 0.0014794600000000, -0.0012438800000000, 0.0022576500000000 ] - [ 0.0070608300000000, -0.0024257800000000, -0.0037532100000000 ] - [ -0.0041421300000000, -0.0006723000000000, -0.0040361600000000 ]- atom: 37 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0016395300000000, 0.0025851800000000, 0.0028951200000000 ] - [ -0.0015953900000000, -0.0023613900000000, -0.0015686100000000 ] - [ 0.0000471400000000, 0.0000199800000000, -0.0005266100000000 ] - [ -0.0000006500000000, 0.0000018600000000, -0.0006645700000000 ] - [ -0.0000006400000000, -0.0000048300000000, -0.0006092700000000 ] - [ -0.0005439900000000, 0.0000987800000000, -0.0014381800000000 ] - [ -0.0090244000000000, 0.0147374700000000, -0.0070947100000000 ] - [ 0.0000154600000000, 0.0000034400000000, -0.0024586400000000 ] - [ 0.0003220700000000, -0.0016020500000000, -0.0022691600000000 ] - [ 0.0031978700000000, 0.0003555700000000, 0.0029705100000000 ] - [ -0.0002330300000000, -0.0002664300000000, -0.0020642700000000 ] - [ -0.0073790600000000, -0.0116323300000000, 0.0113794900000000 ] - [ -0.0000083600000000, -0.0000069200000000, -0.0019365700000000 ] - [ 0.0000088300000000, 0.0000189100000000, -0.0018534000000000 ] - [ 0.0000258300000000, -0.0000075800000000, -0.0017850700000000 ] - [ 0.0000811100000000, 0.0010795100000000, -0.0001110200000000 ] - [ 0.0705655600000000, -0.0036018700000000, 0.0371580600000000 ] - [ -0.0000512200000000, 0.0000071700000000, -0.0018664200000000 ] - [ 0.0020633200000000, 0.0003198500000000, -0.0022320300000000 ] - [ -0.0018092200000000, -0.0015607600000000, -0.0027275600000000 ] - [ -0.0003586900000000, 0.0009898000000000, -0.0023923500000000 ] - [ -0.0039167400000000, 0.0102598000000000, 0.0163040000000000 ] - [ -0.0066788300000000, -0.0104545000000000, 0.0169576800000000 ] - [ 0.1277568600000000, 0.0111565800000000, 0.1248609700000000 ] - [ 0.0006612300000000, 0.0005354200000000, -0.0017555000000000 ] - [ 0.0001468000000000, -0.0008415700000000, -0.0017667100000000 ] - [ -0.0007877100000000, 0.0002971300000000, -0.0017677700000000 ] - [ -0.0002485000000000, -0.0003260100000000, -0.0016962700000000 ] - [ 0.0004164300000000, -0.0000191100000000, -0.0017619300000000 ] - [ -0.0001368100000000, 0.0003802700000000, -0.0016852600000000 ] - [ 0.0089109800000000, 0.0080063300000000, 0.0056890800000000 ] - [ 0.0057044500000000, -0.0091840400000000, 0.0022836600000000 ] - [ -0.0051347600000000, 0.0010151800000000, 0.0038152300000000 ] - [ 0.0003676100000000, -0.0004818900000000, -0.0013810700000000 ] - [ 0.0002279500000000, 0.0002200300000000, -0.0015704600000000 ] - [ -0.0005204400000000, 0.0000916400000000, -0.0014977300000000 ] - [ -0.2491823300000000, 0.0001773100000000, -0.2235721200000000 ] - [ 0.0115690900000000, -0.0124026000000000, -0.0111180400000000 ] - [ -0.0007884800000000, 0.0001294800000000, 0.0003284800000000 ] - [ 0.0112752800000000, 0.0125629700000000, -0.0110328900000000 ] - [ -0.0001918600000000, -0.0010719200000000, 0.0005653100000000 ] - [ -0.0017136200000000, -0.0002678700000000, 0.0021224600000000 ] - [ 0.0011815100000000, 0.0003273100000000, -0.0001740900000000 ] - [ -0.0005095000000000, 0.0006578800000000, 0.0011753900000000 ] - [ 0.0010874700000000, 0.0005871100000000, 0.0011473800000000 ] - [ 0.0001590800000000, -0.0004335000000000, -0.0031672700000000 ] - [ -0.0016892300000000, -0.0068668600000000, -0.0045220500000000 ] - [ -0.0000943000000000, 0.0005561400000000, -0.0033859300000000 ] - [ 0.0019981800000000, 0.0008756300000000, 0.0024289900000000 ] - [ -0.0003891600000000, -0.0007685400000000, 0.0003174700000000 ] - [ 0.0014473900000000, -0.0032800500000000, 0.0029998200000000 ] - [ 0.0048772400000000, -0.0005117000000000, -0.0030299000000000 ] - [ 0.0005292600000000, 0.0044795900000000, -0.0024905900000000 ] - [ 0.0084485500000000, 0.0007292600000000, -0.0053630800000000 ] - [ -0.0113420200000000, -0.0006322900000000, -0.0017914600000000 ] - [ 0.0183129100000000, 0.0200717200000000, 0.0201315600000000 ] - [ 0.0001965900000000, -0.0004293600000000, 0.0010827400000000 ] - [ 0.0311850600000000, -0.0284068200000000, 0.0349932900000000 ] - [ -0.0005464400000000, 0.0002107500000000, 0.0010578600000000 ] - [ 0.0002706200000000, 0.0003510700000000, 0.0010329900000000 ] - [ 0.0004684900000000, -0.0002966400000000, 0.0007067300000000 ] - [ 0.0000629000000000, 0.0005752500000000, 0.0007237500000000 ] - [ -0.0002039600000000, -0.0000551800000000, 0.0004506000000000 ] - [ -0.0005141900000000, -0.0002718800000000, 0.0007951300000000 ] - [ -0.0000384400000000, -0.0011085400000000, 0.0007571600000000 ] - [ -0.0007920300000000, 0.0002321100000000, 0.0012284900000000 ] - [ 0.0000500200000000, 0.0002058700000000, 0.0004522100000000 ] - [ -0.0009458400000000, 0.0005905500000000, 0.0007597800000000 ] - [ 0.0009732300000000, 0.0005211600000000, 0.0007585500000000 ] - [ 0.0006529200000000, -0.0003658600000000, 0.0012273600000000 ] - [ -0.0001756700000000, 0.0008633500000000, 0.0005525800000000 ] - [ -0.0000057700000000, 0.0007505700000000, 0.0012476800000000 ] - [ 0.0005931800000000, 0.0005682400000000, 0.0012300000000000 ] - [ 0.0001516000000000, -0.0001470100000000, 0.0004523400000000 ] - [ 0.0001931200000000, -0.0008008800000000, 0.0012297900000000 ] - [ -0.0002723700000000, 0.0000067400000000, 0.0007023600000000 ] - [ 0.0001375700000000, -0.0002634200000000, 0.0007036600000000 ] - [ -0.0006783800000000, -0.0005876400000000, 0.0005752700000000 ] - [ -0.0006427400000000, -0.0003819000000000, 0.0012229800000000 ] - [ 0.0001401000000000, 0.0002366200000000, 0.0007001300000000 ] - [ -0.0000079700000000, -0.0005649100000000, 0.0009343700000000 ] - [ 0.0008169700000000, -0.0002742400000000, 0.0005504000000000 ] - [ -0.0004827000000000, 0.0002930800000000, 0.0009397800000000 ] - [ 0.0004932500000000, 0.0002746800000000, 0.0009266600000000 ] - [ 0.0004612500000000, -0.0002744800000000, 0.0006391700000000 ] - [ -0.0000123800000000, 0.0005508900000000, 0.0006210300000000 ] - [ -0.0008530600000000, -0.0015623100000000, -0.0010237800000000 ] - [ -0.0004706600000000, -0.0002630600000000, 0.0006709600000000 ] - [ -0.0039010000000000, -0.0094215200000000, 0.0053568200000000 ] - [ -0.0024024900000000, -0.0007741100000000, 0.0005016900000000 ] - [ -0.0019258400000000, 0.0002155400000000, -0.0011743600000000 ] - [ -0.0027212700000000, 0.0078919100000000, 0.0046312300000000 ] - [ 0.0044616200000000, -0.0000514600000000, 0.0009215600000000 ] - [ 0.0002915900000000, -0.0000927100000000, 0.0006655900000000 ] - [ -0.0003152300000000, 0.0009360700000000, 0.0004534500000000 ] - [ -0.0000885600000000, 0.0004262900000000, 0.0009237400000000 ] - [ 0.0001631800000000, 0.0029090500000000, 0.0015043800000000 ] - [ 0.0012116400000000, -0.0005246400000000, -0.0014357400000000 ] - [ 0.0001238800000000, 0.0003274500000000, -0.0006837100000000 ] - [ -0.0006125900000000, 0.0000524800000000, 0.0008626400000000 ] - [ 0.0002798800000000, -0.0004306400000000, 0.0007908100000000 ] - [ -0.0006099800000000, -0.0005332900000000, 0.0004913300000000 ] - [ -0.0002367400000000, -0.0004348000000000, 0.0007715300000000 ] - [ 0.0003470700000000, 0.0004075600000000, 0.0008005100000000 ] - [ 0.0003644800000000, 0.0025438900000000, -0.0022996400000000 ] - [ 0.0008716100000000, -0.0001418200000000, 0.0005020600000000 ] - [ 0.0028793900000000, -0.0008068800000000, -0.0039360600000000 ] - [ -0.0038218600000000, 0.0025771800000000, -0.0059519900000000 ]- atom: 37 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0016503500000000, -0.0025956200000000, -0.0027991200000000 ] - [ 0.0015997600000000, 0.0023718400000000, 0.0014415000000000 ] - [ -0.0000514300000000, -0.0000199400000000, 0.0006460100000000 ] - [ -0.0000004400000000, -0.0000018300000000, 0.0005483700000000 ] - [ -0.0000012200000000, 0.0000047700000000, 0.0007270400000000 ] - [ 0.0005452200000000, -0.0000997200000000, 0.0013298500000000 ] - [ 0.0090507800000000, -0.0147708000000000, 0.0069607600000000 ] - [ -0.0000155300000000, 0.0000002600000000, 0.0023826600000000 ] - [ -0.0003247600000000, 0.0016103500000000, 0.0021905200000000 ] - [ -0.0033961300000000, -0.0003504100000000, -0.0032793500000000 ] - [ 0.0002303500000000, 0.0002713500000000, 0.0021576900000000 ] - [ 0.0074140300000000, 0.0116613200000000, -0.0108665700000000 ] - [ 0.0000037600000000, 0.0000118200000000, 0.0016017100000000 ] - [ -0.0000086600000000, -0.0000174600000000, 0.0019543600000000 ] - [ -0.0000200800000000, 0.0000054300000000, 0.0023581500000000 ] - [ -0.0000759700000000, -0.0010808900000000, -0.0002318100000000 ] - [ -0.0743799100000000, 0.0038955000000000, -0.0400782400000000 ] - [ 0.0000510400000000, -0.0000091700000000, 0.0024541400000000 ] - [ -0.0010270400000000, -0.0000130800000000, 0.0019584500000000 ] - [ 0.0016229900000000, 0.0005000100000000, 0.0024458500000000 ] - [ -0.0004254800000000, -0.0002604700000000, 0.0021077100000000 ] - [ 0.0042069400000000, -0.0100991400000000, -0.0168338300000000 ] - [ 0.0063975100000000, 0.0106210700000000, -0.0174945800000000 ] - [ -0.1254878200000000, -0.0110647300000000, -0.1195569600000000 ] - [ 0.0003482200000000, -0.0001900500000000, 0.0015238500000000 ] - [ -0.0003361600000000, -0.0002055900000000, 0.0015341700000000 ] - [ -0.0000039800000000, 0.0003906800000000, 0.0015352800000000 ] - [ 0.0005252000000000, 0.0005328400000000, 0.0012898000000000 ] - [ -0.0007300300000000, 0.0001501100000000, 0.0013553000000000 ] - [ 0.0001846800000000, -0.0007297700000000, 0.0012738900000000 ] - [ -0.0079720500000000, -0.0077120000000000, -0.0059844100000000 ] - [ -0.0059332800000000, 0.0082057600000000, -0.0025547400000000 ] - [ 0.0043905700000000, -0.0003419700000000, -0.0040681500000000 ] - [ -0.0000958100000000, 0.0006836000000000, 0.0010016800000000 ] - [ -0.0005291800000000, -0.0000944900000000, 0.0011902300000000 ] - [ 0.0005661300000000, -0.0004310200000000, 0.0011145600000000 ] - [ 0.2508793900000000, -0.0012503200000000, 0.2201106000000000 ] - [ -0.0112713100000000, 0.0128614800000000, 0.0106934900000000 ] - [ 0.0002170300000000, 0.0001584600000000, -0.0005758900000000 ] - [ -0.0119382100000000, -0.0124855700000000, 0.0106120600000000 ] - [ 0.0003599600000000, -0.0007103100000000, -0.0002181900000000 ] - [ 0.0014156700000000, 0.0008286000000000, -0.0016164500000000 ] - [ -0.0006653200000000, 0.0000394100000000, -0.0000501100000000 ] - [ -0.0011375900000000, 0.0001035800000000, -0.0008329700000000 ] - [ 0.0003676000000000, 0.0004487000000000, -0.0008038500000000 ] - [ 0.0007212600000000, 0.0002267000000000, 0.0039616100000000 ] - [ 0.0008830100000000, 0.0076611700000000, 0.0042180400000000 ] - [ -0.0001505900000000, 0.0002975800000000, 0.0041817500000000 ] - [ -0.0014003100000000, -0.0009051000000000, -0.0019348300000000 ] - [ 0.0004551800000000, 0.0001110100000000, -0.0005571600000000 ] - [ -0.0017783500000000, 0.0027571100000000, -0.0024929200000000 ] - [ -0.0060686000000000, 0.0004275700000000, 0.0033093800000000 ] - [ 0.0001199700000000, -0.0054437900000000, 0.0027654600000000 ] - [ -0.0087431700000000, -0.0018181600000000, 0.0050615800000000 ] - [ 0.0107806500000000, -0.0000518500000000, 0.0020765800000000 ] - [ -0.0177420800000000, -0.0188028900000000, -0.0195515800000000 ] - [ 0.0002501000000000, -0.0000636900000000, -0.0012048200000000 ] - [ -0.0298699700000000, 0.0283646500000000, -0.0348794900000000 ] - [ -0.0001114800000000, -0.0003553000000000, -0.0011743700000000 ] - [ -0.0000815100000000, 0.0002907200000000, -0.0011658400000000 ] - [ -0.0004682500000000, -0.0002363300000000, -0.0012267800000000 ] - [ 0.0004029200000000, -0.0003141600000000, -0.0012511100000000 ] - [ -0.0003690900000000, 0.0003154000000000, -0.0006862900000000 ] - [ 0.0000528900000000, 0.0005384800000000, -0.0013195000000000 ] - [ 0.0002057600000000, -0.0006833500000000, -0.0004191000000000 ] - [ 0.0005463700000000, 0.0003130100000000, -0.0007626200000000 ] - [ 0.0004601500000000, 0.0001586800000000, -0.0006881700000000 ] - [ -0.0006976400000000, 0.0001690800000000, -0.0004223000000000 ] - [ 0.0004864100000000, 0.0005232200000000, -0.0004216900000000 ] - [ 0.0002040700000000, 0.0001787500000000, -0.0004769800000000 ] - [ -0.0006362000000000, -0.0001057500000000, -0.0008874600000000 ] - [ -0.0002626400000000, 0.0000846000000000, -0.0004980200000000 ] - [ -0.0000039400000000, -0.0006340500000000, -0.0007676600000000 ] - [ -0.0000917700000000, -0.0004793800000000, -0.0006880200000000 ] - [ -0.0005466700000000, 0.0003217500000000, -0.0007705500000000 ] - [ -0.0008909600000000, -0.0000933700000000, -0.0004583700000000 ] - [ 0.0005164600000000, -0.0006929300000000, -0.0004597900000000 ] - [ 0.0004255600000000, -0.0004943800000000, -0.0009119800000000 ] - [ 0.0000520500000000, -0.0002681800000000, -0.0004718300000000 ] - [ 0.0003620200000000, 0.0008114900000000, -0.0004587400000000 ] - [ 0.0004638400000000, 0.0000816100000000, -0.0010804300000000 ] - [ 0.0002379700000000, 0.0006055400000000, -0.0008865200000000 ] - [ -0.0001666500000000, -0.0004451900000000, -0.0010823800000000 ] - [ -0.0003056700000000, 0.0003637100000000, -0.0010750200000000 ] - [ -0.0004737400000000, -0.0002598200000000, -0.0011773200000000 ] - [ 0.0004844400000000, -0.0002982900000000, -0.0011637200000000 ] - [ 0.0002842100000000, 0.0018363000000000, 0.0007977000000000 ] - [ 0.0000144200000000, 0.0005406500000000, -0.0012104300000000 ] - [ 0.0041477600000000, 0.0077598300000000, -0.0051272600000000 ] - [ 0.0021627300000000, 0.0013283100000000, -0.0000243400000000 ] - [ 0.0024370600000000, 0.0001498800000000, 0.0009556100000000 ] - [ 0.0011106700000000, -0.0072753400000000, -0.0044022100000000 ] - [ -0.0030126100000000, 0.0010960200000000, -0.0005613400000000 ] - [ 0.0005615000000000, -0.0000831100000000, 0.0000703800000000 ] - [ -0.0004976000000000, -0.0001811200000000, -0.0007952300000000 ] - [ -0.0001868700000000, 0.0004008400000000, -0.0001882600000000 ] - [ 0.0004338100000000, -0.0029856200000000, -0.0010387900000000 ] - [ -0.0011606000000000, -0.0000993400000000, 0.0012066100000000 ] - [ -0.0004778800000000, -0.0008159100000000, 0.0011530800000000 ] - [ -0.0005499800000000, -0.0001383900000000, -0.0006208100000000 ] - [ 0.0003704800000000, -0.0005197900000000, -0.0005497800000000 ] - [ 0.0003599200000000, -0.0005495400000000, -0.0008339300000000 ] - [ -0.0003460200000000, -0.0002169500000000, -0.0000332400000000 ] - [ 0.0001549100000000, 0.0006379700000000, -0.0005619600000000 ] - [ 0.0000888600000000, -0.0030458500000000, 0.0021797700000000 ] - [ 0.0001826700000000, 0.0004739100000000, -0.0008450700000000 ] - [ -0.0035474700000000, 0.0006708100000000, 0.0038222300000000 ] - [ 0.0040184500000000, -0.0019620800000000, 0.0058517800000000 ]- atom: 37 displacement: [ -0.0050000000144975, 0.0086602540294743, 0.0000000000000000 ] forces: - [ 0.0020335500000000, -0.0024442700000000, -0.0019865000000000 ] - [ 0.0003275200000000, 0.0000595100000000, -0.0005996500000000 ] - [ -0.0000156900000000, -0.0000088600000000, 0.0003875600000000 ] - [ 0.0000000000000000, -0.0000015800000000, 0.0002949000000000 ] - [ -0.0000036300000000, 0.0000011900000000, 0.0004510600000000 ] - [ 0.0003322200000000, 0.0006131200000000, 0.0006634500000000 ] - [ 0.0068511800000000, -0.0128893200000000, 0.0078749600000000 ] - [ -0.0000029400000000, 0.0000059100000000, 0.0013381100000000 ] - [ -0.0017464400000000, -0.0000449300000000, 0.0015294900000000 ] - [ -0.0010022200000000, 0.0008264700000000, -0.0024129800000000 ] - [ 0.0000676200000000, 0.0000217500000000, 0.0010083500000000 ] - [ -0.0016613900000000, -0.0000929000000000, -0.0023699500000000 ] - [ -0.0000020500000000, 0.0000047200000000, 0.0008397800000000 ] - [ 0.0000105300000000, -0.0000328500000000, 0.0011315800000000 ] - [ 0.0000044400000000, -0.0000253900000000, 0.0015859500000000 ] - [ 0.0013314200000000, -0.0012134200000000, -0.0005643100000000 ] - [ -0.0410007600000000, 0.0070334200000000, -0.0222604900000000 ] - [ 0.0000226400000000, 0.0000746200000000, 0.0015054800000000 ] - [ -0.0011476500000000, 0.0001574700000000, 0.0016884800000000 ] - [ 0.0009022900000000, 0.0012548400000000, 0.0019403500000000 ] - [ 0.0001556000000000, -0.0006403600000000, 0.0014716500000000 ] - [ 0.0018922300000000, -0.0084645100000000, -0.0120988800000000 ] - [ 0.0032621800000000, 0.0020366700000000, -0.0056739500000000 ] - [ -0.0576038800000000, 0.0307983100000000, -0.0533237400000000 ] - [ 0.0004151300000000, -0.0000294700000000, 0.0008177100000000 ] - [ -0.0002294700000000, -0.0003449300000000, 0.0008314800000000 ] - [ -0.0001762700000000, 0.0003612100000000, 0.0008137300000000 ] - [ 0.0003937000000000, 0.0003324400000000, 0.0006328500000000 ] - [ -0.0004874000000000, 0.0001724100000000, 0.0006435200000000 ] - [ 0.0000876400000000, -0.0005110100000000, 0.0006198200000000 ] - [ -0.0026348100000000, -0.0065323400000000, 0.0017197500000000 ] - [ -0.0032393400000000, -0.0001842200000000, -0.0033036400000000 ] - [ 0.0018301600000000, 0.0013016800000000, -0.0010618000000000 ] - [ -0.0000114900000000, 0.0006977600000000, 0.0003530900000000 ] - [ -0.0003871100000000, -0.0001483200000000, 0.0005570900000000 ] - [ 0.0002151000000000, -0.0004941800000000, 0.0005697700000000 ] - [ 0.1261286300000000, -0.0407482300000000, 0.1071681600000000 ] - [ -0.0092885200000000, 0.0081707500000000, 0.0065391100000000 ] - [ 0.0000586400000000, -0.0001704600000000, -0.0002305700000000 ] - [ -0.0024382800000000, -0.0046803700000000, 0.0040519100000000 ] - [ 0.0004764600000000, -0.0005435600000000, -0.0000587700000000 ] - [ 0.0015567000000000, 0.0005973900000000, -0.0016924400000000 ] - [ -0.0003636200000000, -0.0001186400000000, -0.0001540500000000 ] - [ -0.0007927300000000, -0.0001767100000000, -0.0001174500000000 ] - [ 0.0001665100000000, 0.0006740500000000, -0.0001992100000000 ] - [ 0.0006720200000000, 0.0000491100000000, 0.0030801500000000 ] - [ 0.0009208000000000, 0.0067898100000000, 0.0028828900000000 ] - [ -0.0003180200000000, 0.0003175200000000, 0.0015847100000000 ] - [ -0.0012186400000000, -0.0013074200000000, -0.0020815200000000 ] - [ 0.0003086200000000, 0.0001370200000000, -0.0003571600000000 ] - [ -0.0017737700000000, 0.0026708800000000, -0.0022869300000000 ] - [ -0.0022277500000000, 0.0012749100000000, 0.0021503400000000 ] - [ -0.0002383700000000, -0.0001950100000000, 0.0013867100000000 ] - [ -0.0050867400000000, -0.0002016400000000, 0.0020783400000000 ] - [ 0.0051186500000000, -0.0081283200000000, 0.0026438900000000 ] - [ 0.0057726800000000, -0.0055880100000000, 0.0015933600000000 ] - [ 0.0002392800000000, -0.0002838200000000, -0.0008668400000000 ] - [ -0.0331560700000000, 0.0186346100000000, -0.0332000800000000 ] - [ -0.0002989700000000, -0.0001305500000000, -0.0007520800000000 ] - [ 0.0000850300000000, 0.0002977900000000, -0.0008595100000000 ] - [ -0.0002405800000000, -0.0002330200000000, -0.0007815200000000 ] - [ 0.0003200700000000, -0.0001002500000000, -0.0007982000000000 ] - [ -0.0003306000000000, 0.0002320600000000, -0.0004416800000000 ] - [ -0.0000805400000000, 0.0003288500000000, -0.0008048200000000 ] - [ 0.0001510200000000, -0.0007759400000000, -0.0001676700000000 ] - [ 0.0002592700000000, 0.0002943600000000, -0.0003354900000000 ] - [ 0.0003716700000000, 0.0001691500000000, -0.0004452700000000 ] - [ -0.0007521200000000, 0.0002606900000000, -0.0001716800000000 ] - [ 0.0005910400000000, 0.0005260200000000, -0.0001668000000000 ] - [ 0.0002958700000000, 0.0000655700000000, -0.0001090800000000 ] - [ -0.0005414600000000, 0.0001083100000000, -0.0005749300000000 ] - [ -0.0002061900000000, 0.0002209500000000, -0.0001131400000000 ] - [ 0.0001217500000000, -0.0003789000000000, -0.0003434800000000 ] - [ -0.0000364900000000, -0.0004018600000000, -0.0004427700000000 ] - [ -0.0003866200000000, 0.0000799500000000, -0.0003382600000000 ] - [ -0.0007744300000000, -0.0000688400000000, -0.0002161000000000 ] - [ 0.0004474600000000, -0.0006281900000000, -0.0002200700000000 ] - [ 0.0001791500000000, -0.0005241700000000, -0.0005809900000000 ] - [ -0.0000918200000000, -0.0002899200000000, -0.0001046600000000 ] - [ 0.0003246300000000, 0.0007064300000000, -0.0002163000000000 ] - [ 0.0003639800000000, -0.0000622200000000, -0.0006515400000000 ] - [ 0.0003659000000000, 0.0004162200000000, -0.0005745400000000 ] - [ -0.0002362900000000, -0.0002815300000000, -0.0006338200000000 ] - [ -0.0001304400000000, 0.0003374700000000, -0.0006392700000000 ] - [ -0.0002657300000000, -0.0002448800000000, -0.0008002700000000 ] - [ 0.0003699400000000, -0.0001234500000000, -0.0007324100000000 ] - [ -0.0012074900000000, 0.0025160300000000, -0.0002652900000000 ] - [ -0.0000722100000000, 0.0003946600000000, -0.0008101100000000 ] - [ 0.0009058300000000, 0.0041370200000000, -0.0055013700000000 ] - [ 0.0023869100000000, 0.0010380500000000, -0.0017893000000000 ] - [ 0.0005358800000000, 0.0011840000000000, 0.0017008000000000 ] - [ 0.0011742700000000, -0.0022695800000000, 0.0004485100000000 ] - [ -0.0009845000000000, 0.0003255600000000, -0.0004229000000000 ] - [ 0.0004674800000000, -0.0002725500000000, 0.0004394500000000 ] - [ -0.0004183500000000, -0.0000373100000000, -0.0005842700000000 ] - [ -0.0002812400000000, 0.0005873600000000, 0.0001673800000000 ] - [ 0.0010332300000000, -0.0000282500000000, 0.0007672300000000 ] - [ -0.0009385200000000, -0.0007082000000000, 0.0006949600000000 ] - [ -0.0002336700000000, -0.0005261700000000, 0.0004129000000000 ] - [ -0.0005584900000000, -0.0001906800000000, -0.0002690400000000 ] - [ 0.0003287100000000, -0.0004767500000000, -0.0003054400000000 ] - [ 0.0002402400000000, -0.0004647400000000, -0.0005607200000000 ] - [ -0.0002233600000000, -0.0001595500000000, 0.0000055700000000 ] - [ 0.0002720600000000, 0.0006250300000000, -0.0001936000000000 ] - [ 0.0011615600000000, 0.0006299500000000, 0.0009089400000000 ] - [ 0.0004184800000000, 0.0004699100000000, -0.0006152700000000 ] - [ -0.0011683000000000, -0.0004347200000000, 0.0006438000000000 ] - [ 0.0039878600000000, 0.0050363600000000, -0.0013845200000000 ]- atom: 37 displacement: [ 0.0050000000144975, -0.0086602540294743, 0.0000000000000000 ] forces: - [ -0.0020347300000000, 0.0024332200000000, 0.0020799000000000 ] - [ -0.0003135000000000, -0.0000379000000000, 0.0004967300000000 ] - [ 0.0000122100000000, 0.0000083600000000, -0.0002711700000000 ] - [ -0.0000009900000000, 0.0000016200000000, -0.0004073100000000 ] - [ 0.0000013200000000, -0.0000013200000000, -0.0003347500000000 ] - [ -0.0003300400000000, -0.0006110600000000, -0.0007708800000000 ] - [ -0.0068494400000000, 0.0128590200000000, -0.0080097900000000 ] - [ 0.0000032200000000, -0.0000021000000000, -0.0014177000000000 ] - [ 0.0017357400000000, 0.0000560600000000, -0.0016088600000000 ] - [ 0.0008741200000000, -0.0008099300000000, 0.0020860000000000 ] - [ -0.0000704200000000, -0.0000154400000000, -0.0009114000000000 ] - [ 0.0017149100000000, 0.0001784000000000, 0.0028113000000000 ] - [ -0.0000023800000000, 0.0000000500000000, -0.0011759200000000 ] - [ -0.0000104000000000, 0.0000340400000000, -0.0010310100000000 ] - [ 0.0000004800000000, 0.0000225800000000, -0.0010149100000000 ] - [ -0.0013321000000000, 0.0012065700000000, 0.0002237500000000 ] - [ 0.0401587900000000, -0.0074401000000000, 0.0216262000000000 ] - [ -0.0000224100000000, -0.0000762100000000, -0.0009197400000000 ] - [ 0.0021802900000000, 0.0001643600000000, -0.0019619400000000 ] - [ -0.0010858400000000, -0.0023213000000000, -0.0022193300000000 ] - [ -0.0009478500000000, 0.0013558800000000, -0.0017522400000000 ] - [ -0.0015672400000000, 0.0086122000000000, 0.0115568100000000 ] - [ -0.0035724100000000, -0.0018952200000000, 0.0052123100000000 ] - [ 0.0573236800000000, -0.0304448500000000, 0.0529430000000000 ] - [ 0.0005948100000000, 0.0003750200000000, -0.0010498800000000 ] - [ 0.0000399900000000, -0.0007027800000000, -0.0010642400000000 ] - [ -0.0006154900000000, 0.0003265500000000, -0.0010467100000000 ] - [ -0.0001165600000000, -0.0001255800000000, -0.0010396100000000 ] - [ 0.0001736600000000, -0.0000415600000000, -0.0010506400000000 ] - [ -0.0000392300000000, 0.0001615100000000, -0.0010314000000000 ] - [ 0.0035911800000000, 0.0068235700000000, -0.0019839500000000 ] - [ 0.0030461500000000, -0.0008246100000000, 0.0030413200000000 ] - [ -0.0025799800000000, -0.0006336200000000, 0.0007894000000000 ] - [ 0.0002842000000000, -0.0004961100000000, -0.0007326900000000 ] - [ 0.0000871200000000, 0.0002752400000000, -0.0009366400000000 ] - [ -0.0001702100000000, 0.0001533900000000, -0.0009539500000000 ] - [ -0.1251116400000000, 0.0400955900000000, -0.1069466500000000 ] - [ 0.0095509600000000, -0.0077558900000000, -0.0069800100000000 ] - [ -0.0006304900000000, 0.0004470100000000, -0.0000091300000000 ] - [ 0.0019344800000000, 0.0048697900000000, -0.0045089200000000 ] - [ -0.0003101700000000, -0.0012440100000000, 0.0004025300000000 ] - [ -0.0018429400000000, -0.0000420600000000, 0.0021943500000000 ] - [ 0.0008765400000000, 0.0004849600000000, -0.0000703700000000 ] - [ -0.0008554900000000, 0.0009400700000000, 0.0004544900000000 ] - [ 0.0012934800000000, 0.0003631100000000, 0.0005379200000000 ] - [ 0.0001954000000000, -0.0002493700000000, -0.0022934100000000 ] - [ -0.0017304300000000, -0.0059973100000000, -0.0031856500000000 ] - [ 0.0000648900000000, 0.0005243000000000, -0.0008158000000000 ] - [ 0.0018194600000000, 0.0012773500000000, 0.0025791400000000 ] - [ -0.0002425000000000, -0.0007819900000000, 0.0001243300000000 ] - [ 0.0014412000000000, -0.0031813300000000, 0.0027854200000000 ] - [ 0.0010045500000000, -0.0013603600000000, -0.0018686800000000 ] - [ 0.0008896100000000, -0.0007782800000000, -0.0011183100000000 ] - [ 0.0048244100000000, -0.0008820300000000, -0.0023969500000000 ] - [ -0.0056878700000000, 0.0074673000000000, -0.0021112300000000 ] - [ -0.0054310000000000, 0.0065125900000000, -0.0014467600000000 ] - [ 0.0002077900000000, -0.0002069400000000, 0.0007431300000000 ] - [ 0.0347336200000000, -0.0185004400000000, 0.0332961800000000 ] - [ -0.0003571800000000, -0.0000119400000000, 0.0006350700000000 ] - [ 0.0001051800000000, 0.0003422700000000, 0.0007271500000000 ] - [ 0.0002412300000000, -0.0003000500000000, 0.0002624800000000 ] - [ 0.0001455000000000, 0.0003612200000000, 0.0002720100000000 ] - [ -0.0002419200000000, 0.0000276600000000, 0.0002064500000000 ] - [ -0.0003799500000000, -0.0000624500000000, 0.0002814400000000 ] - [ 0.0000164300000000, -0.0010162900000000, 0.0005048700000000 ] - [ -0.0005043700000000, 0.0002507500000000, 0.0008004000000000 ] - [ 0.0001381800000000, 0.0001953800000000, 0.0002095300000000 ] - [ -0.0008912000000000, 0.0004990100000000, 0.0005084500000000 ] - [ 0.0008690700000000, 0.0005183100000000, 0.0005029500000000 ] - [ 0.0005614300000000, -0.0002515800000000, 0.0008586900000000 ] - [ -0.0002695600000000, 0.0006501600000000, 0.0002410500000000 ] - [ -0.0000630400000000, 0.0006135700000000, 0.0008621200000000 ] - [ 0.0004676300000000, 0.0003125000000000, 0.0008047900000000 ] - [ 0.0000968600000000, -0.0002240800000000, 0.0002073400000000 ] - [ 0.0000330200000000, -0.0005588800000000, 0.0007965500000000 ] - [ -0.0003890700000000, -0.0000174200000000, 0.0004610500000000 ] - [ 0.0002068000000000, -0.0003286700000000, 0.0004648000000000 ] - [ -0.0004331200000000, -0.0005578300000000, 0.0002454600000000 ] - [ -0.0004976600000000, -0.0003608600000000, 0.0008550300000000 ] - [ 0.0001783800000000, 0.0003416500000000, 0.0004587900000000 ] - [ 0.0000921000000000, -0.0004208400000000, 0.0005047000000000 ] - [ 0.0006896900000000, -0.0000861900000000, 0.0002393200000000 ] - [ -0.0004126400000000, 0.0001293300000000, 0.0004905900000000 ] - [ 0.0003178000000000, 0.0003005700000000, 0.0004902300000000 ] - [ 0.0002539400000000, -0.0002890500000000, 0.0002635500000000 ] - [ 0.0001019200000000, 0.0003759600000000, 0.0001908400000000 ] - [ 0.0006366800000000, -0.0022400400000000, 0.0000380100000000 ] - [ -0.0003836000000000, -0.0001175500000000, 0.0002713400000000 ] - [ -0.0006971400000000, -0.0058280300000000, 0.0057218200000000 ] - [ -0.0026175000000000, -0.0004862700000000, 0.0022543600000000 ] - [ -0.0000278200000000, -0.0008285900000000, -0.0019365400000000 ] - [ -0.0027932700000000, 0.0029454700000000, -0.0001574200000000 ] - [ 0.0024260500000000, 0.0007198500000000, 0.0007812200000000 ] - [ 0.0003860600000000, 0.0000984100000000, 0.0002957000000000 ] - [ -0.0003912500000000, 0.0007962900000000, 0.0002461300000000 ] - [ 0.0000044900000000, 0.0002377400000000, 0.0005653100000000 ] - [ -0.0004403500000000, -0.0000435400000000, -0.0003008400000000 ] - [ 0.0009948400000000, 0.0000905500000000, -0.0009196700000000 ] - [ -0.0001180400000000, 0.0000372400000000, 0.0000615000000000 ] - [ -0.0006045700000000, 0.0001043600000000, 0.0005118300000000 ] - [ 0.0003219400000000, -0.0004750300000000, 0.0005470300000000 ] - [ -0.0004952100000000, -0.0006186500000000, 0.0002222000000000 ] - [ -0.0003577700000000, -0.0004920800000000, 0.0007324900000000 ] - [ 0.0002306700000000, 0.0004209900000000, 0.0004338600000000 ] - [ -0.0007150800000000, -0.0011340500000000, -0.0010301500000000 ] - [ 0.0006388300000000, -0.0001419400000000, 0.0002760100000000 ] - [ 0.0004911000000000, 0.0003002700000000, -0.0007441500000000 ] - [ -0.0037190000000000, -0.0043476300000000, 0.0012485700000000 ]- atom: 37 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000115900000000, 0.0008802700000000, 0.0051196500000000 ] - [ -0.0013620500000000, -0.0019217100000000, -0.0004921400000000 ] - [ 0.0002407100000000, -0.0000034500000000, -0.0016223300000000 ] - [ -0.0000022600000000, 0.0000012700000000, -0.0013927800000000 ] - [ 0.0000054000000000, 0.0000055100000000, -0.0014362200000000 ] - [ -0.0011444700000000, -0.0000010000000000, -0.0022779100000000 ] - [ -0.0075126100000000, 0.0110125600000000, -0.0017273100000000 ] - [ 0.0000532900000000, 0.0000002200000000, -0.0054976000000000 ] - [ 0.0012291800000000, -0.0018597300000000, -0.0049204800000000 ] - [ 0.0174635700000000, 0.0001010300000000, -0.0063004300000000 ] - [ -0.0004442700000000, -0.0001686400000000, -0.0040323600000000 ] - [ -0.0025962600000000, -0.0072592000000000, 0.0189192600000000 ] - [ -0.0000158100000000, -0.0000127000000000, -0.0040876000000000 ] - [ 0.0000569500000000, -0.0000190100000000, -0.0042459500000000 ] - [ -0.0001726500000000, -0.0001488500000000, -0.0040026300000000 ] - [ 0.0012258500000000, 0.0007031800000000, -0.0022204300000000 ] - [ 0.0316915300000000, -0.0016458800000000, 0.0314479000000000 ] - [ -0.0001670800000000, -0.0000157600000000, -0.0043262600000000 ] - [ -0.0002177900000000, 0.0040249000000000, -0.0030405600000000 ] - [ -0.0005558900000000, -0.0009149400000000, -0.0028006000000000 ] - [ -0.0011056300000000, -0.0028115200000000, -0.0026835900000000 ] - [ 0.0002805400000000, 0.0052118500000000, 0.0159320600000000 ] - [ -0.0041308000000000, -0.0035896300000000, 0.0164486800000000 ] - [ 0.1278236000000000, 0.0132484700000000, 0.2465075700000000 ] - [ 0.0009076900000000, 0.0009894000000000, -0.0037517000000000 ] - [ 0.0004237200000000, -0.0012655800000000, -0.0037861600000000 ] - [ -0.0013052900000000, 0.0002715200000000, -0.0037842200000000 ] - [ -0.0005872500000000, -0.0007577400000000, -0.0035096800000000 ] - [ 0.0009217900000000, -0.0001100500000000, -0.0036356000000000 ] - [ -0.0002576200000000, 0.0009469900000000, -0.0034440100000000 ] - [ 0.0095123500000000, 0.0137140800000000, 0.0036804200000000 ] - [ 0.0036847200000000, -0.0146900900000000, 0.0032737200000000 ] - [ -0.0021068200000000, 0.0019726700000000, 0.0040303300000000 ] - [ 0.0000562100000000, -0.0007572200000000, -0.0035436100000000 ] - [ 0.0006788900000000, 0.0000555200000000, -0.0033962600000000 ] - [ -0.0007732900000000, 0.0006816000000000, -0.0032020300000000 ] - [ -0.2262565800000000, -0.0051977300000000, -0.3418870600000000 ] - [ 0.0068026200000000, -0.0086092900000000, -0.0131653400000000 ] - [ -0.0004014500000000, -0.0025795700000000, 0.0024878500000000 ] - [ 0.0065447000000000, 0.0088353400000000, -0.0131540700000000 ] - [ -0.0002431800000000, -0.0019938900000000, 0.0007693700000000 ] - [ 0.0004090600000000, -0.0012160400000000, 0.0009577200000000 ] - [ -0.0000882900000000, 0.0001645500000000, 0.0003141800000000 ] - [ -0.0005666500000000, 0.0006968400000000, 0.0013169800000000 ] - [ 0.0015573500000000, 0.0011706000000000, 0.0014385900000000 ] - [ -0.0023843600000000, 0.0022729200000000, -0.0048516000000000 ] - [ -0.0015980700000000, -0.0048905200000000, -0.0051700900000000 ] - [ -0.0026171400000000, -0.0022355200000000, -0.0050273600000000 ] - [ 0.0013675000000000, 0.0002654100000000, 0.0015115000000000 ] - [ -0.0004755300000000, 0.0018884900000000, 0.0019104500000000 ] - [ 0.0007079000000000, -0.0011803100000000, 0.0014054700000000 ] - [ 0.0019651000000000, -0.0000601200000000, -0.0040413300000000 ] - [ 0.0011450300000000, 0.0013698700000000, -0.0038625300000000 ] - [ 0.0065589400000000, -0.0001107300000000, -0.0056343100000000 ] - [ 0.0001478700000000, 0.0017403200000000, 0.0418159200000000 ] - [ 0.0180355600000000, 0.0146054900000000, 0.0033591000000000 ] - [ -0.0000739900000000, -0.0007330700000000, 0.0016884900000000 ] - [ 0.0249552100000000, -0.0171852500000000, 0.0130324800000000 ] - [ -0.0006607800000000, 0.0012225200000000, 0.0020108400000000 ] - [ 0.0012209100000000, -0.0000369300000000, 0.0021050800000000 ] - [ 0.0009097600000000, -0.0003569600000000, 0.0017612300000000 ] - [ -0.0001677500000000, 0.0009871000000000, 0.0018549800000000 ] - [ -0.0001156700000000, -0.0002774200000000, 0.0011487300000000 ] - [ -0.0006919900000000, -0.0006314700000000, 0.0019157000000000 ] - [ -0.0002028100000000, -0.0013785200000000, 0.0014759000000000 ] - [ -0.0016291800000000, 0.0001806400000000, 0.0024538600000000 ] - [ -0.0001913400000000, 0.0002365100000000, 0.0011532500000000 ] - [ -0.0011016700000000, 0.0008574600000000, 0.0014782200000000 ] - [ 0.0012906000000000, 0.0005224700000000, 0.0014838600000000 ] - [ 0.0009078300000000, -0.0007082400000000, 0.0022640900000000 ] - [ 0.0000557900000000, 0.0013899100000000, 0.0014905000000000 ] - [ 0.0001717900000000, 0.0011497700000000, 0.0023044000000000 ] - [ 0.0009642900000000, 0.0013181200000000, 0.0024627200000000 ] - [ 0.0003023200000000, 0.0000481500000000, 0.0011509300000000 ] - [ 0.0006550900000000, -0.0015004900000000, 0.0024620200000000 ] - [ 0.0000479900000000, 0.0000701900000000, 0.0013656400000000 ] - [ -0.0000348700000000, -0.0000166200000000, 0.0013637200000000 ] - [ -0.0012574300000000, -0.0006253000000000, 0.0015599100000000 ] - [ -0.0010726300000000, -0.0004351900000000, 0.0022463300000000 ] - [ 0.0000032500000000, -0.0001023500000000, 0.0013850300000000 ] - [ -0.0002839100000000, -0.0009489600000000, 0.0021613800000000 ] - [ 0.0011205700000000, -0.0007559400000000, 0.0014743000000000 ] - [ -0.0006550500000000, 0.0007304100000000, 0.0021626100000000 ] - [ 0.0009500700000000, 0.0002227900000000, 0.0021242300000000 ] - [ 0.0009596100000000, -0.0003110300000000, 0.0017515100000000 ] - [ -0.0002779700000000, 0.0010486600000000, 0.0019044000000000 ] - [ -0.0003082700000000, -0.0030309400000000, -0.0012951800000000 ] - [ -0.0007618100000000, -0.0006920400000000, 0.0018471200000000 ] - [ -0.0015146700000000, -0.0151217300000000, 0.0106183500000000 ] - [ -0.0039460600000000, -0.0012215200000000, 0.0020663200000000 ] - [ -0.0017826600000000, 0.0024043200000000, -0.0000054300000000 ] - [ 0.0000608200000000, 0.0115128400000000, 0.0070668900000000 ] - [ 0.0034090200000000, -0.0000501400000000, -0.0007789400000000 ] - [ 0.0003744800000000, -0.0003842700000000, 0.0018846600000000 ] - [ -0.0001731100000000, 0.0013790200000000, 0.0013130700000000 ] - [ 0.0000968400000000, 0.0008964500000000, 0.0020460100000000 ] - [ 0.0005538200000000, 0.0041449300000000, 0.0021632600000000 ] - [ -0.0002741800000000, -0.0009397500000000, -0.0011583900000000 ] - [ -0.0003023100000000, 0.0002564500000000, -0.0005902400000000 ] - [ -0.0002554000000000, 0.0001068800000000, 0.0016899800000000 ] - [ 0.0001414700000000, -0.0001475600000000, 0.0014989200000000 ] - [ -0.0011846500000000, -0.0005661100000000, 0.0013268900000000 ] - [ -0.0006322600000000, -0.0005203800000000, 0.0016464800000000 ] - [ 0.0002933200000000, 0.0001123500000000, 0.0014517100000000 ] - [ 0.0011921300000000, 0.0039839500000000, -0.0051243600000000 ] - [ 0.0011633500000000, -0.0006435900000000, 0.0013639800000000 ] - [ 0.0011395100000000, -0.0019158300000000, -0.0052174600000000 ] - [ -0.0058075700000000, -0.0043487200000000, -0.0057025500000000 ]- atom: 37 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0000050700000000, -0.0008866300000000, -0.0050030200000000 ] - [ 0.0013591000000000, 0.0019226300000000, 0.0003839400000000 ] - [ -0.0002397200000000, 0.0000028600000000, 0.0017249400000000 ] - [ 0.0000014600000000, -0.0000011800000000, 0.0012715900000000 ] - [ -0.0000072000000000, -0.0000055600000000, 0.0015428600000000 ] - [ 0.0011472400000000, 0.0000002700000000, 0.0021595500000000 ] - [ 0.0074962200000000, -0.0110015900000000, 0.0016799500000000 ] - [ -0.0000518400000000, 0.0000037400000000, 0.0053939200000000 ] - [ -0.0012345800000000, 0.0018680300000000, 0.0048176300000000 ] - [ -0.0173110500000000, -0.0000945300000000, 0.0059184400000000 ] - [ 0.0004358700000000, 0.0001740700000000, 0.0041097200000000 ] - [ 0.0026154800000000, 0.0072716700000000, -0.0183496100000000 ] - [ 0.0000114100000000, 0.0000173500000000, 0.0037270000000000 ] - [ -0.0000563200000000, 0.0000203400000000, 0.0043255900000000 ] - [ 0.0001741400000000, 0.0001431300000000, 0.0045488500000000 ] - [ -0.0012273200000000, -0.0007036400000000, 0.0018549000000000 ] - [ -0.0334495900000000, 0.0017177400000000, -0.0319167200000000 ] - [ 0.0001677600000000, 0.0000140000000000, 0.0048818400000000 ] - [ 0.0012179700000000, -0.0036460600000000, 0.0027620700000000 ] - [ 0.0003715300000000, -0.0001360900000000, 0.0025262500000000 ] - [ 0.0003143500000000, 0.0034664200000000, 0.0024029800000000 ] - [ -0.0000150100000000, -0.0049678200000000, -0.0162036300000000 ] - [ 0.0037918900000000, 0.0036816100000000, -0.0167382600000000 ] - [ -0.1178419700000000, -0.0127126900000000, -0.2343454200000000 ] - [ 0.0001056300000000, -0.0006393600000000, 0.0034961000000000 ] - [ -0.0006105100000000, 0.0002128400000000, 0.0035297600000000 ] - [ 0.0005084900000000, 0.0004169300000000, 0.0035279900000000 ] - [ 0.0008634600000000, 0.0009604200000000, 0.0030860200000000 ] - [ -0.0012318800000000, 0.0002423500000000, 0.0032098800000000 ] - [ 0.0003049400000000, -0.0012927500000000, 0.0030166600000000 ] - [ -0.0085478000000000, -0.0133984200000000, -0.0039963700000000 ] - [ -0.0038811100000000, 0.0136877500000000, -0.0035588600000000 ] - [ 0.0013294000000000, -0.0012955800000000, -0.0043065200000000 ] - [ 0.0002160300000000, 0.0009542200000000, 0.0031495400000000 ] - [ -0.0009754900000000, 0.0000720000000000, 0.0029998400000000 ] - [ 0.0008166600000000, -0.0010190800000000, 0.0028018500000000 ] - [ 0.2175241900000000, 0.0036728800000000, 0.3285846000000000 ] - [ -0.0062799900000000, 0.0088363600000000, 0.0126042600000000 ] - [ -0.0001682700000000, 0.0028079800000000, -0.0026877700000000 ] - [ -0.0069784200000000, -0.0085472800000000, 0.0126153700000000 ] - [ 0.0004130500000000, 0.0001954100000000, -0.0004294100000000 ] - [ -0.0006505200000000, 0.0017522000000000, -0.0004856200000000 ] - [ 0.0005923300000000, 0.0001988600000000, -0.0005402000000000 ] - [ -0.0010754900000000, 0.0000594400000000, -0.0009785200000000 ] - [ -0.0000981500000000, -0.0001198700000000, -0.0010958200000000 ] - [ 0.0032185700000000, -0.0024370000000000, 0.0055556000000000 ] - [ 0.0007833100000000, 0.0056345800000000, 0.0048134400000000 ] - [ 0.0023332000000000, 0.0030455200000000, 0.0057337700000000 ] - [ -0.0007768500000000, -0.0003217800000000, -0.0010425400000000 ] - [ 0.0005315400000000, -0.0024896800000000, -0.0021156500000000 ] - [ -0.0010561800000000, 0.0007020300000000, -0.0009411600000000 ] - [ -0.0031102500000000, -0.0000312700000000, 0.0042728200000000 ] - [ -0.0004958600000000, -0.0023021400000000, 0.0041006000000000 ] - [ -0.0067911700000000, -0.0009707400000000, 0.0052752100000000 ] - [ -0.0007123000000000, -0.0023367100000000, -0.0399593200000000 ] - [ -0.0173861400000000, -0.0134658800000000, -0.0031713800000000 ] - [ 0.0005213900000000, 0.0002378700000000, -0.0018006300000000 ] - [ -0.0236514600000000, 0.0173781400000000, -0.0134006500000000 ] - [ 0.0000011200000000, -0.0013492000000000, -0.0021092900000000 ] - [ -0.0010157800000000, 0.0006725700000000, -0.0022169100000000 ] - [ -0.0009032000000000, -0.0001791900000000, -0.0022778700000000 ] - [ 0.0006324700000000, -0.0007191500000000, -0.0023769500000000 ] - [ -0.0004547200000000, 0.0005345400000000, -0.0013745300000000 ] - [ 0.0002275400000000, 0.0008941100000000, -0.0024346400000000 ] - [ 0.0003725900000000, -0.0004140000000000, -0.0011333800000000 ] - [ 0.0013747000000000, 0.0003635100000000, -0.0019758300000000 ] - [ 0.0006981900000000, 0.0001274800000000, -0.0013792100000000 ] - [ -0.0005430100000000, -0.0000985900000000, -0.0011362700000000 ] - [ 0.0001685900000000, 0.0005238300000000, -0.0011425600000000 ] - [ -0.0000508600000000, 0.0005166700000000, -0.0015028600000000 ] - [ -0.0008656300000000, -0.0006283000000000, -0.0018196500000000 ] - [ -0.0004354700000000, -0.0003124100000000, -0.0015430500000000 ] - [ -0.0003705900000000, -0.0013754100000000, -0.0019878500000000 ] - [ -0.0002405200000000, -0.0006712800000000, -0.0013767400000000 ] - [ -0.0010028700000000, 0.0010137000000000, -0.0019908500000000 ] - [ -0.0012003100000000, -0.0001579400000000, -0.0011155600000000 ] - [ 0.0006867100000000, -0.0009307900000000, -0.0011136000000000 ] - [ 0.0010012400000000, -0.0004570100000000, -0.0018895700000000 ] - [ 0.0004786600000000, -0.0002125200000000, -0.0014846100000000 ] - [ 0.0004936200000000, 0.0011425500000000, -0.0011368000000000 ] - [ 0.0007371300000000, 0.0004595100000000, -0.0022862100000000 ] - [ -0.0000638300000000, 0.0010842700000000, -0.0018046700000000 ] - [ 0.0000025600000000, -0.0008769000000000, -0.0022844200000000 ] - [ -0.0007551000000000, 0.0004158600000000, -0.0022513600000000 ] - [ -0.0009646500000000, -0.0002256400000000, -0.0022842500000000 ] - [ 0.0007492900000000, -0.0007892500000000, -0.0024426000000000 ] - [ -0.0002600800000000, 0.0032998200000000, 0.0010772100000000 ] - [ 0.0003008400000000, 0.0009647900000000, -0.0023814400000000 ] - [ 0.0016793600000000, 0.0134983500000000, -0.0104589700000000 ] - [ 0.0037014500000000, 0.0017718200000000, -0.0015818800000000 ] - [ 0.0022891500000000, -0.0020497200000000, -0.0002161200000000 ] - [ -0.0017268700000000, -0.0108898100000000, -0.0068628300000000 ] - [ -0.0019451400000000, 0.0010952300000000, 0.0011500400000000 ] - [ 0.0004789200000000, 0.0002042200000000, -0.0011392100000000 ] - [ -0.0006344300000000, -0.0006149000000000, -0.0016446600000000 ] - [ -0.0003676500000000, -0.0000686400000000, -0.0013007500000000 ] - [ 0.0000430700000000, -0.0042111100000000, -0.0016875600000000 ] - [ 0.0003347900000000, 0.0003223500000000, 0.0009370500000000 ] - [ -0.0000424600000000, -0.0007510800000000, 0.0010702900000000 ] - [ -0.0008984200000000, -0.0001943000000000, -0.0014416900000000 ] - [ 0.0005060300000000, -0.0007947800000000, -0.0012516400000000 ] - [ 0.0009253900000000, -0.0005175100000000, -0.0016591800000000 ] - [ 0.0000461200000000, -0.0001283200000000, -0.0008964700000000 ] - [ 0.0002032500000000, 0.0009261500000000, -0.0012066200000000 ] - [ -0.0007402600000000, -0.0044763000000000, 0.0050131200000000 ] - [ -0.0001035700000000, 0.0009682500000000, -0.0016968900000000 ] - [ -0.0017962200000000, 0.0017700200000000, 0.0051018700000000 ] - [ 0.0059997700000000, 0.0049761800000000, 0.0056101700000000 ]- atom: 39 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0001877200000000, -0.0000314800000000, 0.0002721200000000 ] - [ 0.0004007900000000, 0.0001611600000000, 0.0001982000000000 ] - [ 0.0010413000000000, 0.0026127700000000, 0.0048209800000000 ] - [ -0.0002562500000000, -0.0000748600000000, -0.0004390000000000 ] - [ 0.0000038200000000, -0.0000038300000000, -0.0000608300000000 ] - [ 0.0000054000000000, 0.0000104000000000, -0.0001748100000000 ] - [ -0.0179987400000000, -0.0013792900000000, 0.0101764600000000 ] - [ 0.0005665200000000, 0.0008327600000000, 0.0006301900000000 ] - [ -0.0000091400000000, -0.0000116600000000, -0.0004726100000000 ] - [ 0.0197754200000000, -0.0165726600000000, 0.0179932000000000 ] - [ 0.0019640500000000, 0.0006491300000000, 0.0007401700000000 ] - [ 0.0003714500000000, -0.0004599900000000, -0.0001222400000000 ] - [ 0.0003452400000000, -0.0003239300000000, -0.0005825800000000 ] - [ -0.0000391800000000, -0.0000071800000000, -0.0003431100000000 ] - [ -0.0128879000000000, -0.0021349700000000, -0.0053985800000000 ] - [ -0.0000215900000000, -0.0000095000000000, -0.0003990900000000 ] - [ 0.0005131000000000, 0.0006595900000000, -0.0006917900000000 ] - [ 0.0000034100000000, 0.0000011800000000, -0.0000186300000000 ] - [ 0.1346251700000000, -0.1279479700000000, -0.0043066300000000 ] - [ -0.0175293500000000, -0.0057210200000000, -0.0017245100000000 ] - [ -0.0000296700000000, 0.0082505600000000, -0.0006990800000000 ] - [ 0.0000755100000000, 0.0041132900000000, -0.0015842400000000 ] - [ -0.0041804600000000, -0.0053375900000000, -0.0070316400000000 ] - [ 0.0019514900000000, -0.0023436600000000, -0.0015324700000000 ] - [ 0.0002845300000000, 0.0002613800000000, -0.0002414400000000 ] - [ -0.0000739900000000, -0.0004195900000000, -0.0002989600000000 ] - [ -0.0002347600000000, 0.0001895900000000, -0.0003016200000000 ] - [ -0.0010926600000000, -0.0005460800000000, 0.0014463600000000 ] - [ 0.0010664400000000, -0.0018753600000000, -0.0005651300000000 ] - [ 0.0007633100000000, 0.0035792000000000, -0.0007351700000000 ] - [ 0.0004369100000000, 0.0002871700000000, -0.0004178200000000 ] - [ 0.0001717300000000, -0.0006511100000000, -0.0004170900000000 ] - [ -0.0006377900000000, 0.0003158400000000, -0.0003575800000000 ] - [ 0.0000911000000000, 0.0000143700000000, -0.0004498300000000 ] - [ -0.0000505600000000, 0.0000684900000000, -0.0004515000000000 ] - [ -0.0000244400000000, -0.0000878300000000, -0.0004515500000000 ] - [ -0.0005070100000000, -0.0001569300000000, -0.0003729400000000 ] - [ 0.0002488500000000, -0.0005420200000000, -0.0000790300000000 ] - [ -0.2010346300000000, 0.2004941300000000, -0.0244642800000000 ] - [ 0.0000339600000000, 0.0001829700000000, 0.0018805000000000 ] - [ -0.0082427000000000, 0.0000143200000000, -0.0009390900000000 ] - [ 0.0262711900000000, -0.0174882000000000, -0.0217804000000000 ] - [ 0.0258844000000000, -0.0060994000000000, 0.0000810100000000 ] - [ 0.0034079400000000, -0.0019753600000000, 0.0001027900000000 ] - [ 0.0003482900000000, -0.0003043200000000, -0.0000811800000000 ] - [ 0.0011422600000000, -0.0026293700000000, 0.0024385500000000 ] - [ -0.0001272300000000, -0.0020251800000000, -0.0017494300000000 ] - [ 0.0053668300000000, 0.0049456500000000, 0.0120902900000000 ] - [ 0.0054957000000000, 0.0040328600000000, 0.0033765800000000 ] - [ -0.0043535000000000, -0.0113676600000000, -0.0006754100000000 ] - [ 0.0025470200000000, -0.0038018300000000, 0.0022308100000000 ] - [ -0.0007599300000000, -0.0005785000000000, 0.0001950800000000 ] - [ 0.0003400900000000, 0.0011719400000000, 0.0010826000000000 ] - [ 0.0052113900000000, 0.0006378800000000, -0.0009898400000000 ] - [ -0.0047931400000000, 0.0010042200000000, 0.0020335900000000 ] - [ -0.0001210500000000, 0.0007564300000000, 0.0005275000000000 ] - [ 0.0050831600000000, 0.0032988000000000, -0.0030264500000000 ] - [ -0.0000691400000000, 0.0022653800000000, -0.0016644700000000 ] - [ 0.0023568600000000, -0.0039278300000000, -0.0026017000000000 ] - [ 0.0280031200000000, -0.0230730700000000, 0.0206390000000000 ] - [ -0.0005743400000000, -0.0016586400000000, -0.0002834700000000 ] - [ 0.0001886400000000, 0.0013275500000000, -0.0011700800000000 ] - [ -0.0002190100000000, 0.0000335000000000, 0.0000193100000000 ] - [ -0.0000952300000000, 0.0009499900000000, -0.0006456700000000 ] - [ 0.0001361800000000, -0.0008979700000000, 0.0002768700000000 ] - [ -0.0000397100000000, 0.0002019900000000, 0.0001785500000000 ] - [ 0.0002067500000000, 0.0001958500000000, -0.0000403400000000 ] - [ -0.0007859400000000, 0.0003478000000000, 0.0003075800000000 ] - [ 0.0006811400000000, 0.0005549000000000, 0.0003453000000000 ] - [ 0.0003820500000000, 0.0002412000000000, -0.0001426800000000 ] - [ -0.0002527600000000, 0.0005240400000000, -0.0017127300000000 ] - [ -0.0002768300000000, 0.0008667100000000, 0.0006708900000000 ] - [ 0.0002279300000000, -0.0001466000000000, 0.0002106900000000 ] - [ -0.0000073100000000, -0.0002495900000000, -0.0000414200000000 ] - [ -0.0002969600000000, -0.0001860100000000, 0.0001942800000000 ] - [ 0.0003916000000000, 0.0000396500000000, -0.0000220100000000 ] - [ 0.0003577600000000, 0.0010255400000000, 0.0009145100000000 ] - [ -0.0011472100000000, -0.0003306100000000, -0.0002561000000000 ] - [ -0.0008402800000000, -0.0006924600000000, 0.0008679100000000 ] - [ 0.0000024600000000, -0.0019001300000000, 0.0023351900000000 ] - [ 0.0001917500000000, -0.0003111400000000, 0.0000635600000000 ] - [ 0.0010574700000000, -0.0012187100000000, -0.0005878100000000 ] - [ -0.0003749500000000, 0.0000043300000000, 0.0000661500000000 ] - [ 0.0001868200000000, 0.0003112100000000, 0.0000534400000000 ] - [ 0.0000767800000000, -0.0002700300000000, -0.0000924000000000 ] - [ 0.0001997700000000, 0.0002011900000000, -0.0000890900000000 ] - [ -0.0002201900000000, 0.0000637100000000, -0.0000660100000000 ] - [ -0.0002716900000000, 0.0000670400000000, -0.0000865500000000 ] - [ 0.0000748900000000, -0.0009284100000000, 0.0002593200000000 ] - [ -0.0002218900000000, 0.0002587900000000, 0.0004071700000000 ] - [ 0.0001048600000000, 0.0001821100000000, -0.0000873800000000 ] - [ -0.0009581600000000, 0.0004635800000000, 0.0003504500000000 ] - [ 0.0008485500000000, 0.0004629200000000, 0.0003216000000000 ] - [ 0.0004587100000000, -0.0001258000000000, 0.0005008000000000 ] - [ -0.0003686800000000, 0.0004661500000000, -0.0000412200000000 ] - [ -0.0001208600000000, 0.0004587600000000, 0.0004982500000000 ] - [ 0.0003327300000000, 0.0000945500000000, 0.0004224600000000 ] - [ 0.0001141800000000, -0.0002488300000000, -0.0000650700000000 ] - [ -0.0000886500000000, -0.0003340000000000, 0.0003981000000000 ] - [ -0.0005450800000000, -0.0000342600000000, 0.0002199400000000 ] - [ 0.0002978100000000, -0.0004511300000000, 0.0002191300000000 ] - [ -0.0002208500000000, -0.0005509000000000, -0.0000403000000000 ] - [ -0.0003366700000000, -0.0003324600000000, 0.0005028500000000 ] - [ 0.0002396900000000, 0.0004845400000000, 0.0002208700000000 ] - [ 0.0000197000000000, -0.0002988800000000, 0.0001812900000000 ] - [ 0.0005815600000000, 0.0000927900000000, -0.0000434600000000 ] - [ -0.0003216300000000, -0.0000081900000000, 0.0000403700000000 ] - [ 0.0002898900000000, 0.0003521800000000, 0.0002047700000000 ]- atom: 39 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0001861900000000, 0.0000302100000000, -0.0001613000000000 ] - [ -0.0004144500000000, -0.0001716800000000, -0.0003356800000000 ] - [ -0.0010737200000000, -0.0025810800000000, -0.0047037600000000 ] - [ 0.0002542700000000, 0.0000746700000000, 0.0003209100000000 ] - [ -0.0000061500000000, 0.0000038400000000, 0.0001720700000000 ] - [ -0.0000068200000000, -0.0000102400000000, 0.0000590900000000 ] - [ 0.0179456000000000, 0.0013917500000000, -0.0102329000000000 ] - [ -0.0005702200000000, -0.0008252000000000, -0.0007243500000000 ] - [ 0.0000062100000000, 0.0000163000000000, 0.0003761600000000 ] - [ -0.0198438000000000, 0.0173590000000000, -0.0190619000000000 ] - [ -0.0020267000000000, -0.0007102600000000, -0.0005923500000000 ] - [ -0.0003718700000000, 0.0004631500000000, 0.0006766600000000 ] - [ -0.0003490300000000, 0.0003275900000000, 0.0002349300000000 ] - [ 0.0000392100000000, 0.0000088500000000, 0.0004318900000000 ] - [ 0.0128722900000000, 0.0021234300000000, 0.0059378900000000 ] - [ 0.0000225000000000, 0.0000116900000000, 0.0000567300000000 ] - [ -0.0005231100000000, -0.0006561200000000, 0.0007750800000000 ] - [ -0.0000036500000000, -0.0000030900000000, 0.0005922800000000 ] - [ -0.1305777100000000, 0.1218747300000000, 0.0035426800000000 ] - [ 0.0174063700000000, 0.0046379300000000, 0.0014528100000000 ] - [ -0.0007708900000000, -0.0075325100000000, 0.0004200700000000 ] - [ 0.0002117600000000, -0.0039014200000000, 0.0011895600000000 ] - [ 0.0038674400000000, 0.0054619800000000, 0.0066336400000000 ] - [ -0.0018714800000000, 0.0019885800000000, 0.0010976300000000 ] - [ 0.0007217800000000, 0.0000857300000000, 0.0000039800000000 ] - [ -0.0001128400000000, -0.0006255300000000, 0.0000608400000000 ] - [ -0.0005561700000000, 0.0004948500000000, 0.0000632800000000 ] - [ 0.0013509700000000, 0.0007533000000000, -0.0018511700000000 ] - [ -0.0013606700000000, 0.0019969700000000, 0.0001528500000000 ] - [ -0.0007013300000000, -0.0039061900000000, 0.0003213100000000 ] - [ 0.0005686000000000, 0.0000544900000000, 0.0001797900000000 ] - [ -0.0003511600000000, -0.0003894900000000, 0.0001783600000000 ] - [ -0.0001389900000000, 0.0003577700000000, 0.0001168500000000 ] - [ 0.0001812000000000, 0.0001810400000000, 0.0000609500000000 ] - [ -0.0002450800000000, 0.0000592800000000, 0.0000609400000000 ] - [ 0.0000651800000000, -0.0002482600000000, 0.0000578400000000 ] - [ 0.0004991400000000, -0.0003731200000000, -0.0001430600000000 ] - [ 0.0002201300000000, 0.0007953800000000, -0.0004522200000000 ] - [ 0.1973963700000000, -0.1942694300000000, 0.0252800900000000 ] - [ -0.0004876700000000, 0.0000912400000000, -0.0024177600000000 ] - [ 0.0083604900000000, -0.0014769200000000, 0.0012800600000000 ] - [ -0.0262566300000000, 0.0176799200000000, 0.0219207500000000 ] - [ -0.0257127800000000, 0.0066396500000000, -0.0002665700000000 ] - [ -0.0050795700000000, 0.0027987500000000, 0.0002395900000000 ] - [ 0.0011423800000000, 0.0013480900000000, 0.0004273600000000 ] - [ -0.0002792400000000, 0.0024285600000000, -0.0016874200000000 ] - [ -0.0006868900000000, 0.0027718100000000, 0.0014032400000000 ] - [ -0.0056689300000000, -0.0041385300000000, -0.0114222500000000 ] - [ -0.0049054900000000, -0.0040719900000000, -0.0028908400000000 ] - [ 0.0044598400000000, 0.0107693000000000, 0.0004844400000000 ] - [ -0.0028823000000000, 0.0032975900000000, -0.0017405500000000 ] - [ -0.0004072100000000, 0.0004904200000000, 0.0000596700000000 ] - [ 0.0003135800000000, -0.0021255600000000, -0.0008316700000000 ] - [ -0.0054551600000000, -0.0017247700000000, 0.0006431800000000 ] - [ 0.0041982600000000, -0.0016595700000000, -0.0012551000000000 ] - [ 0.0006090900000000, 0.0002794100000000, -0.0002715200000000 ] - [ -0.0046478100000000, -0.0037902100000000, 0.0029133900000000 ] - [ 0.0011172800000000, -0.0019247200000000, 0.0013203400000000 ] - [ -0.0029995000000000, 0.0037795600000000, 0.0024840600000000 ] - [ -0.0274736700000000, 0.0232515600000000, -0.0203331500000000 ] - [ 0.0005608600000000, 0.0011272800000000, -0.0002477200000000 ] - [ 0.0002900700000000, -0.0010698000000000, 0.0006390000000000 ] - [ -0.0003529200000000, 0.0002248800000000, -0.0002490600000000 ] - [ -0.0003690400000000, -0.0006838000000000, 0.0001301700000000 ] - [ 0.0000305800000000, -0.0008953100000000, 0.0000641100000000 ] - [ -0.0002105700000000, 0.0003426300000000, 0.0002920400000000 ] - [ 0.0003015400000000, 0.0001688700000000, -0.0001899500000000 ] - [ -0.0008582300000000, 0.0004131800000000, 0.0000331600000000 ] - [ 0.0007799900000000, 0.0004897700000000, -0.0000053800000000 ] - [ 0.0004767600000000, -0.0004290100000000, 0.0008920900000000 ] - [ -0.0005536300000000, 0.0002336500000000, 0.0013762100000000 ] - [ 0.0000077100000000, -0.0000284500000000, 0.0000807200000000 ] - [ 0.0003641600000000, 0.0000848400000000, 0.0002564000000000 ] - [ 0.0000681500000000, -0.0003749600000000, -0.0001886100000000 ] - [ -0.0000536300000000, -0.0002977300000000, 0.0002697900000000 ] - [ -0.0015413900000000, -0.0001273100000000, 0.0002725300000000 ] - [ 0.0002899800000000, -0.0019684700000000, -0.0006594000000000 ] - [ 0.0008887300000000, -0.0007535500000000, -0.0000858600000000 ] - [ 0.0002446600000000, 0.0000404500000000, -0.0001156200000000 ] - [ 0.0004911600000000, 0.0029287100000000, -0.0020697300000000 ] - [ 0.0002629500000000, -0.0001732600000000, -0.0002053500000000 ] - [ -0.0000031700000000, 0.0015460100000000, 0.0002535200000000 ] - [ -0.0002749400000000, -0.0001547300000000, -0.0002045400000000 ] - [ 0.0000025200000000, 0.0003266600000000, -0.0001974300000000 ] - [ -0.0000863600000000, -0.0002638800000000, -0.0004364700000000 ] - [ 0.0002706700000000, 0.0000537100000000, -0.0004445000000000 ] - [ -0.0003529200000000, 0.0001980200000000, -0.0001656500000000 ] - [ -0.0001855100000000, 0.0002081000000000, -0.0004435600000000 ] - [ 0.0000964400000000, -0.0008608900000000, 0.0000837600000000 ] - [ -0.0000309900000000, 0.0002857300000000, 0.0000690700000000 ] - [ 0.0003948500000000, 0.0001818600000000, -0.0001425900000000 ] - [ -0.0006828300000000, 0.0002894200000000, -0.0000096600000000 ] - [ 0.0006027700000000, 0.0005833100000000, 0.0000198400000000 ] - [ 0.0003934400000000, -0.0000493700000000, 0.0002341900000000 ] - [ -0.0004400200000000, 0.0002977800000000, -0.0002924600000000 ] - [ -0.0001541500000000, 0.0003672500000000, 0.0002368300000000 ] - [ 0.0002599200000000, -0.0001523700000000, 0.0000496900000000 ] - [ -0.0000547700000000, -0.0003727600000000, -0.0001661400000000 ] - [ -0.0002619200000000, -0.0001512800000000, 0.0000697900000000 ] - [ -0.0006171100000000, -0.0000521500000000, 0.0000283000000000 ] - [ 0.0003525000000000, -0.0004983300000000, 0.0000280400000000 ] - [ -0.0000393500000000, -0.0005325900000000, -0.0002937800000000 ] - [ -0.0002454700000000, -0.0003191000000000, 0.0002358600000000 ] - [ 0.0002620600000000, 0.0005609100000000, 0.0000241200000000 ] - [ 0.0004328200000000, -0.0001873200000000, -0.0003217500000000 ] - [ 0.0004781000000000, 0.0002319200000000, -0.0002914100000000 ] - [ -0.0003335600000000, -0.0001356800000000, -0.0001718200000000 ] - [ -0.0000983600000000, 0.0002847200000000, -0.0003485000000000 ]- atom: 39 displacement: [ -0.0050000000144975, 0.0086602540294743, 0.0000000000000000 ] forces: - [ 0.0000935400000000, 0.0001308800000000, -0.0000526500000000 ] - [ -0.0022379700000000, -0.0021701300000000, -0.0028720900000000 ] - [ 0.0016516300000000, -0.0019631800000000, -0.0079923500000000 ] - [ 0.0002590200000000, 0.0001442600000000, 0.0005420500000000 ] - [ -0.0000097100000000, -0.0000022900000000, 0.0003661900000000 ] - [ 0.0000071800000000, -0.0000036800000000, 0.0002322000000000 ] - [ 0.0200040200000000, 0.0011146400000000, -0.0128164000000000 ] - [ 0.0003596900000000, -0.0005286800000000, -0.0007614600000000 ] - [ -0.0000346800000000, 0.0000025400000000, 0.0010353700000000 ] - [ -0.0260535100000000, 0.0389648200000000, -0.0368003600000000 ] - [ -0.0103313300000000, -0.0104636600000000, 0.0071302000000000 ] - [ -0.0009239000000000, -0.0005020300000000, 0.0007692700000000 ] - [ -0.0005509600000000, -0.0000614300000000, 0.0009755600000000 ] - [ 0.0000457400000000, 0.0000214900000000, 0.0009740800000000 ] - [ 0.0158922000000000, 0.0022292700000000, 0.0064919200000000 ] - [ 0.0000114100000000, 0.0000113700000000, 0.0005202000000000 ] - [ 0.0004935500000000, -0.0004596600000000, 0.0016075500000000 ] - [ -0.0000017000000000, 0.0000080800000000, 0.0011173500000000 ] - [ -0.1623654500000000, 0.2380308900000000, 0.0076686800000000 ] - [ 0.0209279300000000, 0.0025107600000000, 0.0012462100000000 ] - [ -0.0090198900000000, -0.0191330100000000, 0.0009480100000000 ] - [ 0.0015235000000000, -0.0051901100000000, 0.0018617900000000 ] - [ 0.0035404300000000, 0.0055725100000000, 0.0062170100000000 ] - [ -0.0070677500000000, 0.0031424900000000, 0.0065546900000000 ] - [ 0.0007478900000000, -0.0000369900000000, 0.0003848600000000 ] - [ -0.0002423500000000, -0.0006757100000000, 0.0003997100000000 ] - [ -0.0004647300000000, 0.0006818800000000, 0.0004467800000000 ] - [ 0.0002850600000000, 0.0026539100000000, 0.0009557300000000 ] - [ -0.0026822400000000, 0.0024659500000000, -0.0008116600000000 ] - [ 0.0009238200000000, -0.0048126100000000, 0.0021719200000000 ] - [ 0.0004837700000000, -0.0002230400000000, 0.0006546000000000 ] - [ -0.0003606600000000, -0.0000988300000000, 0.0004520600000000 ] - [ -0.0000663100000000, 0.0003930300000000, 0.0005426500000000 ] - [ 0.0002670800000000, 0.0002897400000000, 0.0004737400000000 ] - [ -0.0003793600000000, 0.0000780700000000, 0.0004725800000000 ] - [ 0.0001148300000000, -0.0003805600000000, 0.0004651300000000 ] - [ 0.0002346400000000, -0.0006344500000000, -0.0025255800000000 ] - [ -0.0000666000000000, 0.0010163000000000, -0.0006070300000000 ] - [ 0.2642786100000000, -0.3733016100000000, 0.0481584600000000 ] - [ -0.0007641200000000, -0.0002375800000000, -0.0018983100000000 ] - [ 0.0016483000000000, 0.0386843400000000, 0.0009937400000000 ] - [ -0.0325844300000000, 0.0110892000000000, 0.0233520000000000 ] - [ -0.0315718000000000, 0.0048927200000000, 0.0007243500000000 ] - [ -0.0055526500000000, 0.0080631600000000, 0.0005349800000000 ] - [ 0.0067732600000000, 0.0034899500000000, 0.0009998200000000 ] - [ -0.0014276800000000, 0.0035929800000000, -0.0026738200000000 ] - [ -0.0007510900000000, 0.0032248800000000, 0.0014795000000000 ] - [ -0.0055781500000000, -0.0068813800000000, -0.0105897300000000 ] - [ -0.0053546700000000, -0.0034159300000000, -0.0022103500000000 ] - [ 0.0059133600000000, 0.0330600200000000, 0.0000847700000000 ] - [ -0.0027055900000000, 0.0063885000000000, -0.0031627800000000 ] - [ -0.0008930900000000, 0.0009375600000000, 0.0005308600000000 ] - [ 0.0005835900000000, -0.0021547800000000, -0.0002621200000000 ] - [ -0.0057751700000000, -0.0018100400000000, 0.0007715300000000 ] - [ 0.0102728500000000, 0.0000770700000000, -0.0137991300000000 ] - [ 0.0026077700000000, 0.0019148800000000, -0.0012631800000000 ] - [ -0.0057935300000000, -0.0043215600000000, 0.0037286700000000 ] - [ 0.0026533400000000, -0.0035616300000000, 0.0013548900000000 ] - [ -0.0033214400000000, 0.0080436600000000, 0.0053996900000000 ] - [ -0.0394651100000000, 0.0183969700000000, -0.0242732700000000 ] - [ -0.0011836200000000, 0.0019554700000000, -0.0029814500000000 ] - [ 0.0021340400000000, -0.0012781000000000, -0.0023031000000000 ] - [ -0.0003781500000000, 0.0003287100000000, -0.0004105900000000 ] - [ 0.0005943100000000, 0.0001242900000000, 0.0004351400000000 ] - [ 0.0000485800000000, -0.0008553800000000, -0.0000879500000000 ] - [ -0.0001913200000000, 0.0003505300000000, 0.0001495700000000 ] - [ 0.0003965300000000, 0.0002122900000000, -0.0003432500000000 ] - [ -0.0008311700000000, 0.0003948600000000, -0.0001374800000000 ] - [ 0.0007158800000000, 0.0004601600000000, -0.0001694500000000 ] - [ 0.0004763500000000, -0.0004075700000000, 0.0000147300000000 ] - [ -0.0008313900000000, -0.0008693100000000, 0.0009194200000000 ] - [ 0.0002592100000000, 0.0000623000000000, 0.0002897400000000 ] - [ 0.0002826800000000, 0.0000181300000000, 0.0001251200000000 ] - [ 0.0000061700000000, -0.0004940300000000, -0.0003979100000000 ] - [ -0.0001513800000000, -0.0003025300000000, 0.0001174200000000 ] - [ -0.0008257000000000, -0.0003779300000000, 0.0001301200000000 ] - [ 0.0005562800000000, -0.0027186600000000, -0.0008658200000000 ] - [ 0.0011468300000000, -0.0007586900000000, 0.0011406400000000 ] - [ 0.0003545200000000, 0.0001754300000000, -0.0008728600000000 ] - [ 0.0002116600000000, 0.0032653900000000, -0.0026286100000000 ] - [ 0.0003342400000000, -0.0000808200000000, -0.0004413800000000 ] - [ -0.0010084100000000, 0.0024344500000000, 0.0001642300000000 ] - [ -0.0002259000000000, -0.0002779800000000, -0.0004654100000000 ] - [ -0.0001070100000000, 0.0003402400000000, -0.0004457300000000 ] - [ -0.0002046200000000, -0.0002561600000000, -0.0007005600000000 ] - [ 0.0003235100000000, -0.0000566100000000, -0.0007114700000000 ] - [ -0.0004022300000000, 0.0003160100000000, -0.0003004100000000 ] - [ -0.0001195400000000, 0.0003091200000000, -0.0007123200000000 ] - [ 0.0001306900000000, -0.0006795100000000, -0.0001617500000000 ] - [ 0.0001893700000000, 0.0003148300000000, -0.0002316900000000 ] - [ 0.0004188700000000, 0.0001249200000000, -0.0002773600000000 ] - [ -0.0007002400000000, 0.0001035400000000, -0.0001832500000000 ] - [ 0.0005565400000000, 0.0005557200000000, -0.0001095400000000 ] - [ 0.0003398500000000, 0.0000201700000000, 0.0000048500000000 ] - [ -0.0004963100000000, 0.0001732500000000, -0.0004949400000000 ] - [ -0.0001908600000000, 0.0002810700000000, 0.0000052300000000 ] - [ 0.0001911600000000, -0.0003200600000000, -0.0001697500000000 ] - [ -0.0000643500000000, -0.0004194700000000, -0.0003036700000000 ] - [ -0.0003500100000000, -0.0000114400000000, -0.0001855100000000 ] - [ -0.0006917200000000, -0.0000670700000000, -0.0001290100000000 ] - [ 0.0003976900000000, -0.0005541800000000, -0.0001262200000000 ] - [ 0.0000996300000000, -0.0005189600000000, -0.0004967300000000 ] - [ -0.0001520200000000, -0.0003042800000000, 0.0000077600000000 ] - [ 0.0002869100000000, 0.0006305400000000, -0.0001294700000000 ] - [ 0.0004169300000000, -0.0002178500000000, -0.0003384200000000 ] - [ 0.0004021400000000, 0.0003481700000000, -0.0004954800000000 ] - [ -0.0001837800000000, -0.0002275400000000, -0.0004662300000000 ] - [ -0.0001812300000000, 0.0004603100000000, -0.0006483000000000 ]- atom: 39 displacement: [ 0.0050000000144975, -0.0086602540294743, 0.0000000000000000 ] forces: - [ -0.0000963800000000, -0.0001323700000000, 0.0001627800000000 ] - [ 0.0022483700000000, 0.0021758900000000, 0.0027761600000000 ] - [ -0.0017159400000000, 0.0020539100000000, 0.0081445500000000 ] - [ -0.0002618500000000, -0.0001451000000000, -0.0006656300000000 ] - [ 0.0000075900000000, 0.0000027100000000, -0.0002570800000000 ] - [ -0.0000083800000000, 0.0000043700000000, -0.0003519800000000 ] - [ -0.0200504800000000, -0.0011239400000000, 0.0128095300000000 ] - [ -0.0003689000000000, 0.0005501600000000, 0.0006693800000000 ] - [ 0.0000315400000000, 0.0000024300000000, -0.0011383900000000 ] - [ 0.0243795100000000, -0.0366665800000000, 0.0335891900000000 ] - [ 0.0103832100000000, 0.0104804200000000, -0.0071083000000000 ] - [ 0.0009325100000000, 0.0005048400000000, -0.0002223900000000 ] - [ 0.0005527200000000, 0.0000648900000000, -0.0013371700000000 ] - [ -0.0000456400000000, -0.0000189000000000, -0.0008950200000000 ] - [ -0.0159415200000000, -0.0022588700000000, -0.0059826500000000 ] - [ -0.0000104200000000, -0.0000090900000000, -0.0008749100000000 ] - [ -0.0005040600000000, 0.0004736300000000, -0.0015386800000000 ] - [ 0.0000016600000000, -0.0000094800000000, -0.0005595700000000 ] - [ 0.1766381000000000, -0.2550772000000000, -0.0094761700000000 ] - [ -0.0211259600000000, -0.0035528100000000, -0.0015142800000000 ] - [ 0.0082186800000000, 0.0198292100000000, -0.0012097100000000 ] - [ -0.0012414100000000, 0.0054172400000000, -0.0022496100000000 ] - [ -0.0038867800000000, -0.0055165500000000, -0.0066785200000000 ] - [ 0.0072054600000000, -0.0035239000000000, -0.0070289100000000 ] - [ 0.0002630800000000, 0.0003873900000000, -0.0006394000000000 ] - [ 0.0000548500000000, -0.0003743800000000, -0.0006550400000000 ] - [ -0.0003299400000000, 0.0000049100000000, -0.0007019400000000 ] - [ -0.0000360600000000, -0.0024545600000000, -0.0013570300000000 ] - [ 0.0023976300000000, -0.0023470100000000, 0.0004008100000000 ] - [ -0.0008709000000000, 0.0044901800000000, -0.0026136400000000 ] - [ 0.0005273000000000, 0.0005683200000000, -0.0009101000000000 ] - [ 0.0001823000000000, -0.0009503000000000, -0.0007074900000000 ] - [ -0.0007169500000000, 0.0002854900000000, -0.0007993900000000 ] - [ 0.0000079700000000, -0.0000896700000000, -0.0008674000000000 ] - [ 0.0000788600000000, 0.0000501000000000, -0.0008678600000000 ] - [ -0.0000713600000000, 0.0000405000000000, -0.0008635600000000 ] - [ -0.0002459200000000, 0.0001051200000000, 0.0020115700000000 ] - [ 0.0005411100000000, -0.0007676100000000, 0.0000625700000000 ] - [ -0.2770290900000000, 0.3893364500000000, -0.0443777900000000 ] - [ 0.0003092200000000, 0.0005143200000000, 0.0013779600000000 ] - [ -0.0015453500000000, -0.0412217400000000, -0.0007380500000000 ] - [ 0.0326516000000000, -0.0106615800000000, -0.0231048300000000 ] - [ 0.0317670700000000, -0.0044482500000000, -0.0009051000000000 ] - [ 0.0038862400000000, -0.0073182800000000, -0.0002057600000000 ] - [ -0.0053120600000000, -0.0024413300000000, -0.0006676100000000 ] - [ 0.0023038900000000, -0.0038205000000000, 0.0034384200000000 ] - [ -0.0000641700000000, -0.0024798400000000, -0.0018239900000000 ] - [ 0.0053568000000000, 0.0077047500000000, 0.0114088000000000 ] - [ 0.0059465800000000, 0.0033582100000000, 0.0026776500000000 ] - [ -0.0058295700000000, -0.0332984500000000, -0.0002549200000000 ] - [ 0.0023563000000000, -0.0068538200000000, 0.0036145200000000 ] - [ -0.0002693100000000, -0.0010288500000000, -0.0002870400000000 ] - [ 0.0000652400000000, 0.0012258500000000, 0.0005136000000000 ] - [ 0.0055704600000000, 0.0007422000000000, -0.0011161500000000 ] - [ -0.0108782600000000, -0.0007781900000000, 0.0146469900000000 ] - [ -0.0021406000000000, -0.0008913100000000, 0.0015227300000000 ] - [ 0.0062451200000000, 0.0038339300000000, -0.0038390700000000 ] - [ -0.0016153200000000, 0.0039147900000000, -0.0017017300000000 ] - [ 0.0026889500000000, -0.0081841800000000, -0.0055011900000000 ] - [ 0.0403276900000000, -0.0180347000000000, 0.0246448300000000 ] - [ 0.0011959300000000, -0.0024962300000000, 0.0024833500000000 ] - [ -0.0016661300000000, 0.0015716700000000, 0.0017752200000000 ] - [ -0.0001925200000000, -0.0000711100000000, 0.0001860200000000 ] - [ -0.0010685300000000, 0.0001346700000000, -0.0009559700000000 ] - [ 0.0001207200000000, -0.0009375500000000, 0.0004306000000000 ] - [ -0.0000608100000000, 0.0001926800000000, 0.0003255000000000 ] - [ 0.0001109400000000, 0.0001519700000000, 0.0001174900000000 ] - [ -0.0008139300000000, 0.0003647900000000, 0.0004800400000000 ] - [ 0.0007439700000000, 0.0005871100000000, 0.0005115500000000 ] - [ 0.0003814300000000, 0.0002200900000000, 0.0007402700000000 ] - [ 0.0000311400000000, 0.0016300200000000, -0.0012681000000000 ] - [ -0.0005286100000000, 0.0007777700000000, 0.0004692500000000 ] - [ 0.0003106100000000, -0.0000776900000000, 0.0003467300000000 ] - [ 0.0000539200000000, -0.0001281900000000, 0.0001729200000000 ] - [ -0.0001971000000000, -0.0001831500000000, 0.0003512500000000 ] - [ -0.0003151900000000, 0.0002923800000000, 0.0001224400000000 ] - [ 0.0000871400000000, 0.0017911500000000, 0.0011264400000000 ] - [ -0.0014093800000000, -0.0003292100000000, -0.0014895400000000 ] - [ -0.0009564800000000, -0.0008261500000000, 0.0016444900000000 ] - [ 0.0002785800000000, -0.0022464900000000, 0.0029062400000000 ] - [ 0.0001184500000000, -0.0004084400000000, 0.0003159300000000 ] - [ 0.0020735200000000, -0.0021202800000000, -0.0004880500000000 ] - [ -0.0004271200000000, 0.0001324600000000, 0.0003431500000000 ] - [ 0.0003021700000000, 0.0002985900000000, 0.0003182000000000 ] - [ 0.0001977700000000, -0.0002794700000000, 0.0001673300000000 ] - [ 0.0001476400000000, 0.0003150100000000, 0.0001734100000000 ] - [ -0.0001685500000000, -0.0000557800000000, 0.0000734300000000 ] - [ -0.0003404600000000, -0.0000348200000000, 0.0001778100000000 ] - [ 0.0000426300000000, -0.0011107700000000, 0.0005069800000000 ] - [ -0.0004427600000000, 0.0002290300000000, 0.0007124400000000 ] - [ 0.0000781700000000, 0.0002389200000000, 0.0000519500000000 ] - [ -0.0009429700000000, 0.0006495700000000, 0.0005275300000000 ] - [ 0.0008952600000000, 0.0004916300000000, 0.0004533900000000 ] - [ 0.0005115200000000, -0.0001977700000000, 0.0007387300000000 ] - [ -0.0003097900000000, 0.0005947100000000, 0.0001677400000000 ] - [ -0.0000810100000000, 0.0005457500000000, 0.0007384700000000 ] - [ 0.0004014000000000, 0.0002644600000000, 0.0006470400000000 ] - [ 0.0001249900000000, -0.0001995700000000, 0.0000769900000000 ] - [ 0.0000010200000000, -0.0004739400000000, 0.0006574000000000 ] - [ -0.0004651400000000, -0.0000202000000000, 0.0003785000000000 ] - [ 0.0002508500000000, -0.0003895400000000, 0.0003744000000000 ] - [ -0.0003633100000000, -0.0005638900000000, 0.0001690600000000 ] - [ -0.0004319900000000, -0.0003446100000000, 0.0007396000000000 ] - [ 0.0002109100000000, 0.0004105500000000, 0.0003753000000000 ] - [ 0.0000327700000000, -0.0002709700000000, 0.0002125200000000 ] - [ 0.0006592100000000, -0.0000266000000000, 0.0001667500000000 ] - [ -0.0004745000000000, 0.0000869700000000, 0.0003493000000000 ] - [ 0.0003786000000000, 0.0001775800000000, 0.0005215000000000 ]- atom: 39 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0000608400000000, -0.0001221600000000, -0.0007349300000000 ] - [ 0.0003702800000000, 0.0000303100000000, 0.0016692100000000 ] - [ 0.0036202500000000, -0.0049249300000000, -0.0016103300000000 ] - [ -0.0001167300000000, -0.0000048300000000, -0.0007540300000000 ] - [ -0.0000013500000000, 0.0000007400000000, -0.0008327700000000 ] - [ -0.0000094400000000, 0.0000087300000000, -0.0008558700000000 ] - [ 0.0076205300000000, -0.0006431800000000, 0.0004363400000000 ] - [ 0.0008212200000000, -0.0009548200000000, -0.0041824300000000 ] - [ 0.0000142000000000, -0.0000158300000000, -0.0032082700000000 ] - [ 0.0228753100000000, -0.0340959800000000, 0.0525667900000000 ] - [ -0.0003064400000000, 0.0019083900000000, 0.0051627000000000 ] - [ 0.0006794800000000, 0.0001914000000000, -0.0018748900000000 ] - [ -0.0000837300000000, 0.0000211500000000, -0.0021438700000000 ] - [ -0.0000175600000000, -0.0000026900000000, -0.0024869200000000 ] - [ -0.0083746800000000, -0.0008833800000000, -0.0015180200000000 ] - [ 0.0000036800000000, -0.0000119300000000, -0.0024500400000000 ] - [ -0.0005538700000000, 0.0006401400000000, -0.0028230800000000 ] - [ 0.0000066000000000, -0.0000022900000000, -0.0023119700000000 ] - [ -0.0102928700000000, 0.0132171400000000, 0.0559419000000000 ] - [ -0.0013969100000000, 0.0005042400000000, 0.0067052600000000 ] - [ 0.0017209400000000, 0.0010835100000000, 0.0073001700000000 ] - [ -0.0002379600000000, -0.0003469800000000, -0.0004574000000000 ] - [ -0.0006555600000000, -0.0036618800000000, -0.0051677300000000 ] - [ 0.0047999300000000, -0.0008878800000000, -0.0064087900000000 ] - [ 0.0009156100000000, 0.0006464100000000, -0.0023154600000000 ] - [ 0.0000806200000000, -0.0011187900000000, -0.0023339800000000 ] - [ -0.0009891100000000, 0.0005136900000000, -0.0023969200000000 ] - [ 0.0016918000000000, 0.0011656400000000, -0.0018414200000000 ] - [ -0.0019568000000000, -0.0018382400000000, -0.0009295800000000 ] - [ 0.0013712600000000, 0.0014140800000000, -0.0001579400000000 ] - [ 0.0007133200000000, 0.0007360300000000, -0.0022625800000000 ] - [ 0.0002744400000000, -0.0011854900000000, -0.0021655200000000 ] - [ -0.0009530400000000, 0.0003689500000000, -0.0021582800000000 ] - [ -0.0003186700000000, -0.0004176700000000, -0.0021520300000000 ] - [ 0.0005290700000000, -0.0000719800000000, -0.0021447700000000 ] - [ -0.0001990800000000, 0.0004852700000000, -0.0021493200000000 ] - [ 0.0004497600000000, -0.0001367100000000, 0.0023102000000000 ] - [ 0.0003375900000000, 0.0001222500000000, 0.0001608100000000 ] - [ -0.0241890200000000, 0.0375916400000000, -0.1123482900000000 ] - [ -0.0004726700000000, -0.0002313100000000, 0.0017384200000000 ] - [ 0.0004523400000000, -0.0006515700000000, -0.0127845000000000 ] - [ -0.0214620500000000, 0.0128041300000000, 0.0034014600000000 ] - [ 0.0003791200000000, 0.0007553700000000, -0.0040941700000000 ] - [ -0.0006143400000000, -0.0000999100000000, -0.0015285900000000 ] - [ -0.0001892400000000, 0.0004363900000000, -0.0021485300000000 ] - [ 0.0010199000000000, -0.0009250500000000, -0.0002043900000000 ] - [ -0.0005051300000000, 0.0009064100000000, 0.0000615000000000 ] - [ 0.0048802000000000, 0.0027573100000000, 0.0076860800000000 ] - [ -0.0014778700000000, -0.0028158200000000, -0.0036737800000000 ] - [ -0.0009440200000000, -0.0006575000000000, -0.0040930400000000 ] - [ -0.0028264600000000, 0.0031681900000000, -0.0039892900000000 ] - [ -0.0006321100000000, 0.0000491000000000, 0.0000536000000000 ] - [ -0.0000599700000000, 0.0007370600000000, 0.0006611600000000 ] - [ 0.0005537100000000, 0.0002758400000000, 0.0005654900000000 ] - [ -0.0066617900000000, -0.0045327500000000, 0.0122261200000000 ] - [ -0.0019318300000000, -0.0013194600000000, 0.0014110600000000 ] - [ 0.0022135800000000, 0.0019751500000000, -0.0038731200000000 ] - [ -0.0008152500000000, 0.0008993400000000, 0.0004668900000000 ] - [ 0.0018946200000000, -0.0032105900000000, -0.0043738000000000 ] - [ 0.0312676500000000, -0.0186890700000000, 0.0100886100000000 ] - [ -0.0009119200000000, -0.0009637000000000, -0.0014563500000000 ] - [ -0.0005198500000000, -0.0015394000000000, -0.0001615900000000 ] - [ -0.0002339000000000, -0.0000592600000000, 0.0006024000000000 ] - [ 0.0005777200000000, 0.0011917700000000, -0.0013101500000000 ] - [ -0.0001092500000000, -0.0012024600000000, 0.0009214700000000 ] - [ -0.0012272500000000, 0.0002927300000000, 0.0016980300000000 ] - [ 0.0000614100000000, 0.0002327900000000, 0.0006114300000000 ] - [ -0.0009772700000000, 0.0007193800000000, 0.0009281700000000 ] - [ 0.0010998300000000, 0.0004962200000000, 0.0009518000000000 ] - [ 0.0005210700000000, -0.0005875200000000, 0.0013027900000000 ] - [ -0.0011998300000000, 0.0002444000000000, 0.0019127900000000 ] - [ 0.0003367400000000, 0.0010746300000000, 0.0012263700000000 ] - [ 0.0007375600000000, 0.0009696400000000, 0.0017229100000000 ] - [ 0.0001681200000000, -0.0001989700000000, 0.0005964400000000 ] - [ 0.0003304900000000, -0.0010516700000000, 0.0016806300000000 ] - [ -0.0010192500000000, -0.0001429700000000, -0.0000065400000000 ] - [ 0.0007883100000000, 0.0002876800000000, 0.0005920300000000 ] - [ 0.0001728400000000, 0.0003680100000000, 0.0020961800000000 ] - [ -0.0008716600000000, -0.0004760600000000, 0.0009648000000000 ] - [ -0.0000578900000000, -0.0009470700000000, 0.0014279400000000 ] - [ -0.0000501700000000, -0.0006186100000000, 0.0012346800000000 ] - [ 0.0001820100000000, 0.0002504400000000, 0.0001869900000000 ] - [ -0.0005130700000000, 0.0003547500000000, 0.0012475400000000 ] - [ 0.0005551600000000, 0.0002583100000000, 0.0012176200000000 ] - [ 0.0005658500000000, -0.0003146000000000, 0.0009942900000000 ] - [ -0.0000072100000000, 0.0006482500000000, 0.0009964900000000 ] - [ -0.0001496800000000, -0.0001377300000000, 0.0006017400000000 ] - [ -0.0005556900000000, -0.0003342200000000, 0.0009956200000000 ] - [ -0.0000429100000000, -0.0012523100000000, 0.0009640500000000 ] - [ -0.0010080800000000, 0.0002118000000000, 0.0015416000000000 ] - [ -0.0000386100000000, 0.0002597400000000, 0.0005967000000000 ] - [ -0.0010214700000000, 0.0007898800000000, 0.0010160400000000 ] - [ 0.0010651300000000, 0.0004695900000000, 0.0009137300000000 ] - [ 0.0007063900000000, -0.0004444700000000, 0.0014803600000000 ] - [ -0.0001135500000000, 0.0009886900000000, 0.0008031300000000 ] - [ 0.0000316200000000, 0.0008379900000000, 0.0014768300000000 ] - [ 0.0006809600000000, 0.0007893700000000, 0.0015227100000000 ] - [ 0.0001859600000000, -0.0001307000000000, 0.0006106000000000 ] - [ 0.0003042500000000, -0.0009596400000000, 0.0014953300000000 ] - [ -0.0002035300000000, 0.0000179300000000, 0.0008697500000000 ] - [ 0.0000838700000000, -0.0001805300000000, 0.0008648400000000 ] - [ -0.0008012300000000, -0.0005909100000000, 0.0008021400000000 ] - [ -0.0007399000000000, -0.0003913300000000, 0.0014784900000000 ] - [ 0.0001163700000000, 0.0001647300000000, 0.0008658000000000 ] - [ -0.0000918200000000, -0.0004791500000000, 0.0010546800000000 ] - [ 0.0009070900000000, -0.0003923300000000, 0.0008026500000000 ] - [ -0.0005923700000000, 0.0003217300000000, 0.0011271500000000 ] - [ 0.0006280200000000, 0.0002018400000000, 0.0012637700000000 ]- atom: 39 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000603600000000, 0.0001238500000000, 0.0008443100000000 ] - [ -0.0003860000000000, -0.0000408000000000, -0.0018184800000000 ] - [ -0.0036460100000000, 0.0049612800000000, 0.0017809700000000 ] - [ 0.0001171100000000, 0.0000055100000000, 0.0006376600000000 ] - [ -0.0000001300000000, -0.0000007900000000, 0.0009477400000000 ] - [ 0.0000087500000000, -0.0000086700000000, 0.0007380200000000 ] - [ -0.0075363900000000, 0.0006604200000000, -0.0006153100000000 ] - [ -0.0008148900000000, 0.0009501600000000, 0.0040778200000000 ] - [ -0.0000172300000000, 0.0000205700000000, 0.0031204000000000 ] - [ -0.0240447200000000, 0.0357409400000000, -0.0538933100000000 ] - [ 0.0002361800000000, -0.0019539800000000, -0.0050089100000000 ] - [ -0.0006897800000000, -0.0001954700000000, 0.0024337100000000 ] - [ 0.0000761000000000, -0.0000160700000000, 0.0018029700000000 ] - [ 0.0000182900000000, 0.0000043200000000, 0.0025803900000000 ] - [ 0.0084544500000000, 0.0008844400000000, 0.0021179100000000 ] - [ -0.0000024400000000, 0.0000142500000000, 0.0021100100000000 ] - [ 0.0005570300000000, -0.0006426100000000, 0.0029171000000000 ] - [ -0.0000065000000000, 0.0000004500000000, 0.0028871900000000 ] - [ 0.0102256500000000, -0.0114859200000000, -0.0558732100000000 ] - [ 0.0012589800000000, -0.0015721900000000, -0.0069845300000000 ] - [ -0.0025154800000000, -0.0004182200000000, -0.0075837200000000 ] - [ 0.0005172900000000, 0.0005193900000000, 0.0000635100000000 ] - [ 0.0003795400000000, 0.0038265900000000, 0.0048217900000000 ] - [ -0.0048082200000000, 0.0005799700000000, 0.0060581900000000 ] - [ 0.0000974700000000, -0.0003000600000000, 0.0020751000000000 ] - [ -0.0002697600000000, 0.0000680500000000, 0.0020929300000000 ] - [ 0.0001947600000000, 0.0001766600000000, 0.0021557600000000 ] - [ -0.0014076300000000, -0.0009438600000000, 0.0014292600000000 ] - [ 0.0016241200000000, 0.0019736100000000, 0.0005155900000000 ] - [ -0.0013115300000000, -0.0017786600000000, -0.0002406200000000 ] - [ 0.0002959300000000, -0.0003979500000000, 0.0020265700000000 ] - [ -0.0004566000000000, 0.0001461400000000, 0.0019264400000000 ] - [ 0.0001761500000000, 0.0003074700000000, 0.0019183000000000 ] - [ 0.0005927200000000, 0.0006168700000000, 0.0017665600000000 ] - [ -0.0008285000000000, 0.0001989100000000, 0.0017575800000000 ] - [ 0.0002428400000000, -0.0008245600000000, 0.0017588600000000 ] - [ -0.0004571700000000, -0.0004001500000000, -0.0028595000000000 ] - [ 0.0001288500000000, 0.0001416800000000, -0.0006881000000000 ] - [ 0.0255678800000000, -0.0405671200000000, 0.1128173200000000 ] - [ 0.0000128700000000, 0.0005020700000000, -0.0022819100000000 ] - [ -0.0003037700000000, -0.0009204800000000, 0.0131142600000000 ] - [ 0.0213120100000000, -0.0123263800000000, -0.0028317500000000 ] - [ 0.0000410100000000, -0.0003839400000000, 0.0039051300000000 ] - [ -0.0010430600000000, 0.0009026600000000, 0.0018727300000000 ] - [ 0.0016729300000000, 0.0006153200000000, 0.0024968100000000 ] - [ -0.0001667500000000, 0.0007493900000000, 0.0009474600000000 ] - [ -0.0003091500000000, -0.0001338900000000, -0.0003824500000000 ] - [ -0.0052761400000000, -0.0019785600000000, -0.0070890100000000 ] - [ 0.0020574500000000, 0.0027678400000000, 0.0041624700000000 ] - [ 0.0010353900000000, 0.0000796800000000, 0.0039061100000000 ] - [ 0.0024789200000000, -0.0036582600000000, 0.0044737500000000 ] - [ -0.0005254000000000, -0.0001307700000000, 0.0002024400000000 ] - [ 0.0007090600000000, -0.0016952500000000, -0.0004144800000000 ] - [ -0.0008443800000000, -0.0013715000000000, -0.0008965900000000 ] - [ 0.0062255300000000, 0.0039978700000000, -0.0117208800000000 ] - [ 0.0024592700000000, 0.0023783000000000, -0.0011771600000000 ] - [ -0.0017838500000000, -0.0024728100000000, 0.0037580700000000 ] - [ 0.0018940600000000, -0.0005963700000000, -0.0007975900000000 ] - [ -0.0025531200000000, 0.0030821900000000, 0.0042662500000000 ] - [ -0.0308591200000000, 0.0192120500000000, -0.0101946100000000 ] - [ 0.0009064200000000, 0.0004404700000000, 0.0009225700000000 ] - [ 0.0009873700000000, 0.0017859500000000, -0.0003658600000000 ] - [ -0.0003383900000000, 0.0003181900000000, -0.0008360000000000 ] - [ -0.0010331600000000, -0.0009253100000000, 0.0007918200000000 ] - [ 0.0002761600000000, -0.0005895000000000, -0.0005807700000000 ] - [ 0.0009720000000000, 0.0002530600000000, -0.0012216600000000 ] - [ 0.0004475100000000, 0.0001321300000000, -0.0008448300000000 ] - [ -0.0006657800000000, 0.0000412300000000, -0.0005883200000000 ] - [ 0.0003610000000000, 0.0005474300000000, -0.0006126800000000 ] - [ 0.0003375400000000, 0.0003974200000000, -0.0005506500000000 ] - [ 0.0003802000000000, 0.0005051100000000, -0.0022323900000000 ] - [ -0.0006014500000000, -0.0002388300000000, -0.0004747600000000 ] - [ -0.0001434700000000, -0.0010263000000000, -0.0012501400000000 ] - [ -0.0001063800000000, -0.0004265300000000, -0.0008299000000000 ] - [ -0.0006788000000000, 0.0005645300000000, -0.0012114000000000 ] - [ -0.0001452300000000, 0.0000556200000000, 0.0002511500000000 ] - [ -0.0001339700000000, -0.0012498300000000, -0.0003502600000000 ] - [ -0.0004147300000000, -0.0014448600000000, -0.0024147000000000 ] - [ 0.0002825900000000, -0.0001731200000000, -0.0002188000000000 ] - [ 0.0005548800000000, 0.0019983900000000, -0.0011900100000000 ] - [ 0.0005055200000000, 0.0001345000000000, -0.0013774500000000 ] - [ 0.0008616000000000, 0.0000956200000000, -0.0005222900000000 ] - [ -0.0001361000000000, -0.0005058300000000, -0.0013871800000000 ] - [ -0.0003660800000000, 0.0003793300000000, -0.0013628300000000 ] - [ -0.0005759800000000, -0.0002192600000000, -0.0015262300000000 ] - [ 0.0004782000000000, -0.0003941000000000, -0.0015332100000000 ] - [ -0.0004240500000000, 0.0003999700000000, -0.0008351600000000 ] - [ 0.0000993500000000, 0.0006099700000000, -0.0015290000000000 ] - [ 0.0002145500000000, -0.0005341500000000, -0.0006222000000000 ] - [ 0.0007527000000000, 0.0003332600000000, -0.0010631400000000 ] - [ 0.0005390500000000, 0.0001036900000000, -0.0008282200000000 ] - [ -0.0006179900000000, -0.0000402500000000, -0.0006764100000000 ] - [ 0.0003852600000000, 0.0005766000000000, -0.0005722000000000 ] - [ 0.0001462500000000, 0.0002697400000000, -0.0007450300000000 ] - [ -0.0006967700000000, -0.0002291100000000, -0.0011383200000000 ] - [ -0.0003067700000000, -0.0000123800000000, -0.0007414700000000 ] - [ -0.0000859700000000, -0.0008447300000000, -0.0010474800000000 ] - [ -0.0001256100000000, -0.0004906900000000, -0.0008438000000000 ] - [ -0.0006529000000000, 0.0004712100000000, -0.0010243700000000 ] - [ -0.0009591100000000, -0.0001039200000000, -0.0006237100000000 ] - [ 0.0005668200000000, -0.0007699200000000, -0.0006197800000000 ] - [ 0.0005467100000000, -0.0004921800000000, -0.0011377400000000 ] - [ 0.0001584500000000, -0.0002606400000000, -0.0007394800000000 ] - [ 0.0003865000000000, 0.0008811200000000, -0.0006231400000000 ] - [ 0.0005454500000000, -0.0000084800000000, -0.0011947500000000 ] - [ 0.0001499900000000, 0.0007212300000000, -0.0011390800000000 ] - [ -0.0000605600000000, -0.0004664500000000, -0.0012607800000000 ] - [ -0.0004380800000000, 0.0004369900000000, -0.0014112500000000 ]- atom: 41 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000928300000000, 0.0000144000000000, 0.0005847700000000 ] - [ 0.0016581100000000, -0.0021705700000000, -0.0040631900000000 ] - [ 0.0003705900000000, -0.0001681900000000, -0.0002510600000000 ] - [ -0.0003278300000000, 0.0000827700000000, -0.0001099100000000 ] - [ 0.0000066100000000, -0.0000113700000000, 0.0002707100000000 ] - [ -0.0000005200000000, 0.0000017000000000, 0.0001160400000000 ] - [ -0.0190204900000000, 0.0018640600000000, 0.0080124500000000 ] - [ 0.0007201200000000, 0.0006936600000000, 0.0007624700000000 ] - [ 0.0000135400000000, -0.0000152000000000, 0.0006504500000000 ] - [ 0.0008849500000000, -0.0005593000000000, -0.0016327100000000 ] - [ 0.0194959700000000, 0.0122135800000000, -0.0161807500000000 ] - [ 0.0004943300000000, -0.0004479200000000, -0.0001590300000000 ] - [ 0.0004788400000000, -0.0008113000000000, 0.0006597700000000 ] - [ -0.0000451800000000, 0.0000252300000000, 0.0005724900000000 ] - [ -0.0120047700000000, 0.0019584800000000, -0.0065277400000000 ] - [ -0.0000084000000000, 0.0000114100000000, 0.0004174300000000 ] - [ 0.0001053800000000, 0.0001874800000000, 0.0006393000000000 ] - [ -0.0000076400000000, -0.0000015200000000, 0.0008830600000000 ] - [ 0.1193899700000000, 0.1180500900000000, 0.0138087500000000 ] - [ 0.0011484400000000, -0.0089258400000000, -0.0006757400000000 ] - [ -0.0179365600000000, 0.0052287500000000, -0.0001010500000000 ] - [ 0.0013360500000000, 0.0025160000000000, 0.0003298400000000 ] - [ -0.0033157200000000, 0.0009232100000000, -0.0018181400000000 ] - [ 0.0007984100000000, -0.0034050000000000, 0.0002434200000000 ] - [ 0.0003374500000000, 0.0000739900000000, 0.0003774700000000 ] - [ -0.0003066200000000, -0.0004322700000000, 0.0003763300000000 ] - [ -0.0000357100000000, 0.0004490600000000, 0.0003455300000000 ] - [ -0.0017801200000000, 0.0042307900000000, 0.0057900500000000 ] - [ 0.0002107000000000, -0.0037950800000000, 0.0011075900000000 ] - [ 0.0015136100000000, 0.0021776400000000, 0.0010758200000000 ] - [ 0.0002599500000000, 0.0001137700000000, 0.0002042100000000 ] - [ 0.0000029600000000, -0.0003306300000000, 0.0002548300000000 ] - [ -0.0002942800000000, 0.0002246100000000, 0.0003221500000000 ] - [ 0.0002495000000000, 0.0001940100000000, 0.0002483500000000 ] - [ -0.0002887100000000, 0.0001049100000000, 0.0002513800000000 ] - [ 0.0000584600000000, -0.0003078900000000, 0.0002571500000000 ] - [ -0.0002812500000000, 0.0000295700000000, -0.0005881100000000 ] - [ 0.0001628600000000, -0.0003727500000000, -0.0006665300000000 ] - [ -0.0085946300000000, -0.0029931000000000, 0.0002621500000000 ] - [ 0.0001900300000000, 0.0000342200000000, -0.0001161400000000 ] - [ -0.1844819700000000, -0.1858435500000000, 0.0115723800000000 ] - [ 0.0319806300000000, 0.0236883900000000, -0.0219978000000000 ] - [ -0.0001808200000000, 0.0010397700000000, 0.0002731200000000 ] - [ -0.0051228800000000, 0.0121445800000000, 0.0008760300000000 ] - [ 0.0280774000000000, 0.0070418200000000, 0.0000943800000000 ] - [ 0.0006440800000000, -0.0010607000000000, 0.0008361300000000 ] - [ -0.0003395400000000, -0.0015813100000000, -0.0015637400000000 ] - [ 0.0003041200000000, -0.0003647500000000, 0.0013110800000000 ] - [ 0.0036289200000000, 0.0051343900000000, 0.0037629000000000 ] - [ 0.0043689600000000, 0.0021030700000000, 0.0002142700000000 ] - [ 0.0059583300000000, -0.0056002300000000, 0.0047341200000000 ] - [ -0.0017847100000000, -0.0003544800000000, 0.0002461300000000 ] - [ 0.0010521100000000, -0.0012493100000000, 0.0015538200000000 ] - [ 0.0032146400000000, -0.0002838800000000, -0.0013259900000000 ] - [ -0.0008632900000000, 0.0007195300000000, 0.0006506700000000 ] - [ 0.0006367500000000, 0.0017997400000000, 0.0007049200000000 ] - [ 0.0021632800000000, 0.0025019800000000, -0.0012482100000000 ] - [ 0.0004917200000000, 0.0020742700000000, -0.0020217700000000 ] - [ 0.0039875600000000, -0.0026529900000000, -0.0018361100000000 ] - [ 0.0196279800000000, 0.0182748000000000, 0.0191564100000000 ] - [ -0.0040178300000000, -0.0016643900000000, -0.0018601000000000 ] - [ 0.0045593200000000, -0.0038210400000000, -0.0103672300000000 ] - [ -0.0002954000000000, 0.0001746800000000, -0.0002472900000000 ] - [ 0.0004547400000000, 0.0024745200000000, -0.0020898500000000 ] - [ 0.0001757300000000, -0.0008314300000000, 0.0000232700000000 ] - [ 0.0001223400000000, 0.0002396600000000, -0.0001039500000000 ] - [ 0.0003672500000000, 0.0002472400000000, -0.0003347700000000 ] - [ -0.0007156200000000, 0.0002771000000000, 0.0000077900000000 ] - [ 0.0005698800000000, 0.0005123500000000, 0.0000901000000000 ] - [ 0.0002871500000000, 0.0001982000000000, -0.0017949700000000 ] - [ -0.0008746600000000, -0.0016685700000000, -0.0013654700000000 ] - [ -0.0001490800000000, 0.0012507000000000, 0.0002954900000000 ] - [ 0.0001626200000000, -0.0002873700000000, -0.0000981500000000 ] - [ -0.0001391900000000, -0.0004174500000000, -0.0003772000000000 ] - [ -0.0004172000000000, -0.0000951100000000, -0.0000906600000000 ] - [ 0.0017736600000000, -0.0008849700000000, -0.0007024500000000 ] - [ 0.0003846900000000, 0.0018455700000000, 0.0015404600000000 ] - [ -0.0003874200000000, -0.0000170900000000, -0.0000615100000000 ] - [ -0.0007433400000000, -0.0004356800000000, 0.0004437000000000 ] - [ -0.0001152700000000, -0.0013344800000000, 0.0010880700000000 ] - [ 0.0003200800000000, -0.0001465700000000, -0.0003752600000000 ] - [ 0.0000996800000000, 0.0000396400000000, -0.0006476700000000 ] - [ -0.0003015000000000, -0.0001891300000000, -0.0003661300000000 ] - [ 0.0000079800000000, 0.0003349700000000, -0.0003606400000000 ] - [ -0.0001262300000000, -0.0002598400000000, -0.0005503500000000 ] - [ 0.0002872300000000, 0.0000185800000000, -0.0005393400000000 ] - [ -0.0002330100000000, 0.0001211200000000, -0.0003115700000000 ] - [ -0.0001556100000000, 0.0002365100000000, -0.0005444800000000 ] - [ 0.0001780200000000, -0.0007931700000000, 0.0000039100000000 ] - [ 0.0000776100000000, 0.0002800100000000, -0.0000101100000000 ] - [ 0.0002034900000000, 0.0001472200000000, -0.0003247900000000 ] - [ -0.0008053100000000, 0.0002843900000000, 0.0000158100000000 ] - [ 0.0006455500000000, 0.0005178700000000, 0.0000070800000000 ] - [ 0.0003586900000000, 0.0000027100000000, 0.0001055900000000 ] - [ -0.0004715600000000, 0.0002543500000000, -0.0003856100000000 ] - [ -0.0001806600000000, 0.0003105200000000, 0.0001065900000000 ] - [ 0.0001952000000000, -0.0002083000000000, -0.0000248500000000 ] - [ 0.0000276200000000, -0.0003004100000000, -0.0003341900000000 ] - [ -0.0002862600000000, -0.0000550100000000, -0.0000558700000000 ] - [ -0.0006753600000000, -0.0000534700000000, -0.0000462600000000 ] - [ 0.0003818700000000, -0.0005496800000000, -0.0000461700000000 ] - [ 0.0000164300000000, -0.0005305000000000, -0.0003867500000000 ] - [ -0.0001773700000000, -0.0003147700000000, 0.0001054300000000 ] - [ 0.0002860400000000, 0.0006041500000000, -0.0000463100000000 ] - [ 0.0001155300000000, -0.0002741700000000, -0.0001415600000000 ] - [ 0.0004471800000000, 0.0002862000000000, -0.0003905800000000 ] - [ -0.0003354900000000, -0.0000769800000000, -0.0002780700000000 ] - [ 0.0001889100000000, 0.0003647600000000, -0.0000997800000000 ]- atom: 41 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000920000000000, -0.0000146200000000, -0.0004736200000000 ] - [ -0.0016979400000000, 0.0021078100000000, 0.0039019000000000 ] - [ -0.0003809200000000, 0.0001778500000000, 0.0003781200000000 ] - [ 0.0003273500000000, -0.0000824800000000, -0.0000119500000000 ] - [ -0.0000079300000000, 0.0000110200000000, -0.0001604100000000 ] - [ -0.0000001000000000, -0.0000016900000000, -0.0002364200000000 ] - [ 0.0189678400000000, -0.0018756900000000, -0.0080658700000000 ] - [ -0.0007173000000000, -0.0006967800000000, -0.0008641400000000 ] - [ -0.0000161800000000, 0.0000192200000000, -0.0007539200000000 ] - [ -0.0009487100000000, 0.0006402700000000, 0.0011957200000000 ] - [ -0.0196471600000000, -0.0129485600000000, 0.0169997600000000 ] - [ -0.0004985600000000, 0.0004438300000000, 0.0007129200000000 ] - [ -0.0004879900000000, 0.0008176000000000, -0.0010085200000000 ] - [ 0.0000459100000000, -0.0000237500000000, -0.0004880700000000 ] - [ 0.0120019200000000, -0.0019567800000000, 0.0070874900000000 ] - [ 0.0000098500000000, -0.0000094700000000, -0.0007591400000000 ] - [ -0.0001082100000000, -0.0001828000000000, -0.0005611500000000 ] - [ 0.0000079000000000, -0.0000007600000000, -0.0003091300000000 ] - [ -0.1162377900000000, -0.1122498200000000, -0.0134718800000000 ] - [ -0.0013534000000000, 0.0078486200000000, 0.0003949300000000 ] - [ 0.0172211800000000, -0.0045201000000000, -0.0001909100000000 ] - [ -0.0010478200000000, -0.0023013200000000, -0.0007378000000000 ] - [ 0.0029874600000000, -0.0008106700000000, 0.0014036200000000 ] - [ -0.0007276500000000, 0.0030593000000000, -0.0006604300000000 ] - [ 0.0006666400000000, 0.0002728000000000, -0.0006123800000000 ] - [ 0.0001232500000000, -0.0006108400000000, -0.0006118800000000 ] - [ -0.0007545100000000, 0.0002327000000000, -0.0005816200000000 ] - [ 0.0020507700000000, -0.0040395300000000, -0.0062143000000000 ] - [ -0.0005023700000000, 0.0039210900000000, -0.0015345400000000 ] - [ -0.0014449800000000, -0.0024989900000000, -0.0014717900000000 ] - [ 0.0007440300000000, 0.0002276000000000, -0.0004395600000000 ] - [ -0.0001794400000000, -0.0007079400000000, -0.0004925300000000 ] - [ -0.0004822400000000, 0.0004465100000000, -0.0005605300000000 ] - [ 0.0000199400000000, -0.0000018300000000, -0.0006416400000000 ] - [ -0.0000022800000000, 0.0000211900000000, -0.0006463100000000 ] - [ -0.0000180000000000, -0.0000241700000000, -0.0006554200000000 ] - [ 0.0002693300000000, -0.0005596800000000, 0.0000713800000000 ] - [ 0.0003043900000000, 0.0006245500000000, 0.0001435500000000 ] - [ 0.0080075000000000, 0.0029060400000000, -0.0004911300000000 ] - [ -0.0006412700000000, 0.0002388800000000, -0.0004022400000000 ] - [ 0.1826140700000000, 0.1791306600000000, -0.0124283700000000 ] - [ -0.0318716300000000, -0.0226785900000000, 0.0220994100000000 ] - [ 0.0007246300000000, -0.0006755100000000, -0.0005001500000000 ] - [ 0.0035264800000000, -0.0114351000000000, -0.0005659200000000 ] - [ -0.0270209500000000, -0.0061824000000000, 0.0002104800000000 ] - [ 0.0002128600000000, 0.0008712000000000, -0.0000883500000000 ] - [ -0.0004822500000000, 0.0023190100000000, 0.0012173400000000 ] - [ -0.0005575900000000, 0.0012073200000000, -0.0005492800000000 ] - [ -0.0030155000000000, -0.0051676500000000, -0.0032650400000000 ] - [ -0.0043412600000000, -0.0028003600000000, -0.0004373400000000 ] - [ -0.0063149500000000, 0.0051012500000000, -0.0042518200000000 ] - [ 0.0006130500000000, 0.0002700100000000, 0.0000141300000000 ] - [ -0.0003945700000000, 0.0003015600000000, -0.0012969400000000 ] - [ -0.0034363200000000, -0.0007915100000000, 0.0009782900000000 ] - [ 0.0002549800000000, -0.0013777700000000, 0.0001212700000000 ] - [ -0.0001387700000000, -0.0007553600000000, -0.0004546900000000 ] - [ -0.0017076000000000, -0.0029881800000000, 0.0011162600000000 ] - [ 0.0005547200000000, -0.0017275000000000, 0.0016712000000000 ] - [ -0.0046575000000000, 0.0025160400000000, 0.0017225500000000 ] - [ -0.0192864500000000, -0.0173192300000000, -0.0189765200000000 ] - [ 0.0040264900000000, 0.0011325100000000, 0.0013325900000000 ] - [ -0.0041254900000000, 0.0041153900000000, 0.0099262700000000 ] - [ -0.0002756900000000, 0.0000830000000000, 0.0000141600000000 ] - [ -0.0009070200000000, -0.0021988700000000, 0.0015784400000000 ] - [ -0.0000102700000000, -0.0009621100000000, 0.0003211200000000 ] - [ -0.0003755700000000, 0.0003060600000000, 0.0005784900000000 ] - [ 0.0001403000000000, 0.0001172500000000, 0.0001019900000000 ] - [ -0.0009274000000000, 0.0004847300000000, 0.0003360100000000 ] - [ 0.0008930500000000, 0.0005303600000000, 0.0002529400000000 ] - [ 0.0005755500000000, -0.0003871300000000, 0.0025579000000000 ] - [ 0.0000671500000000, 0.0024386800000000, 0.0010356200000000 ] - [ -0.0001198900000000, -0.0004108900000000, 0.0004592100000000 ] - [ 0.0004312900000000, 0.0002282700000000, 0.0005686500000000 ] - [ 0.0002020500000000, -0.0002069200000000, 0.0001443600000000 ] - [ 0.0000679700000000, -0.0003910300000000, 0.0005586800000000 ] - [ -0.0029409000000000, 0.0008012300000000, 0.0009555200000000 ] - [ 0.0002690100000000, -0.0027952200000000, -0.0012782100000000 ] - [ 0.0001285400000000, -0.0010656200000000, -0.0002745000000000 ] - [ 0.0001517200000000, -0.0002192400000000, 0.0003028000000000 ] - [ 0.0006137100000000, 0.0023729300000000, -0.0008370100000000 ] - [ 0.0001346400000000, -0.0003374800000000, 0.0002265500000000 ] - [ 0.0009490900000000, 0.0002938300000000, 0.0003057700000000 ] - [ -0.0003470900000000, 0.0000385900000000, 0.0002210600000000 ] - [ 0.0001814900000000, 0.0003019400000000, 0.0002095700000000 ] - [ 0.0001166000000000, -0.0002732200000000, 0.0000278800000000 ] - [ 0.0001827600000000, 0.0002351500000000, 0.0000123800000000 ] - [ -0.0003406100000000, 0.0001408400000000, 0.0000772400000000 ] - [ -0.0002998600000000, 0.0000381900000000, 0.0000207500000000 ] - [ -0.0000084300000000, -0.0009968400000000, 0.0003415500000000 ] - [ -0.0003374100000000, 0.0002650900000000, 0.0004920800000000 ] - [ 0.0002971300000000, 0.0002168600000000, 0.0000922400000000 ] - [ -0.0008351600000000, 0.0004700900000000, 0.0003280400000000 ] - [ 0.0008087300000000, 0.0005262700000000, 0.0003374700000000 ] - [ 0.0004969000000000, -0.0001785300000000, 0.0006312500000000 ] - [ -0.0003389900000000, 0.0005055300000000, 0.0000496600000000 ] - [ -0.0000951800000000, 0.0005179200000000, 0.0006304000000000 ] - [ 0.0004023800000000, 0.0001564600000000, 0.0005030900000000 ] - [ 0.0000329100000000, -0.0003222200000000, 0.0001002500000000 ] - [ -0.0000603200000000, -0.0004374100000000, 0.0005300400000000 ] - [ -0.0004907000000000, -0.0000316500000000, 0.0002960200000000 ] - [ 0.0002702400000000, -0.0004054500000000, 0.0002951700000000 ] - [ -0.0002717600000000, -0.0005533200000000, 0.0000505800000000 ] - [ -0.0004058300000000, -0.0003395900000000, 0.0006352300000000 ] - [ 0.0002202600000000, 0.0004446400000000, 0.0002932500000000 ] - [ 0.0003361500000000, -0.0002131700000000, -0.0000029900000000 ] - [ 0.0006109500000000, 0.0000421600000000, 0.0000537800000000 ] - [ -0.0003174000000000, -0.0000668200000000, 0.0001401100000000 ] - [ 0.0000039200000000, 0.0002722800000000, -0.0000501100000000 ]- atom: 41 displacement: [ -0.0050000000144975, 0.0086602540294743, 0.0000000000000000 ] forces: - [ 0.0000518400000000, 0.0000526700000000, 0.0003004700000000 ] - [ -0.0028320000000000, 0.0013630200000000, -0.0028082800000000 ] - [ 0.0015460100000000, -0.0017586700000000, -0.0024509400000000 ] - [ 0.0000677200000000, 0.0000983700000000, 0.0000524900000000 ] - [ -0.0000134600000000, 0.0000025100000000, 0.0002637400000000 ] - [ 0.0000049900000000, -0.0000060700000000, 0.0001196200000000 ] - [ -0.0051389200000000, -0.0005835900000000, 0.0008804800000000 ] - [ 0.0007583600000000, -0.0012100400000000, 0.0002462800000000 ] - [ -0.0000203300000000, 0.0000296700000000, 0.0006441900000000 ] - [ 0.0084305700000000, -0.0104085100000000, 0.0079191700000000 ] - [ 0.0009663800000000, 0.0152559800000000, -0.0106633000000000 ] - [ -0.0008059300000000, 0.0003848000000000, 0.0002025900000000 ] - [ -0.0009233600000000, 0.0001805300000000, 0.0006191200000000 ] - [ 0.0000218200000000, 0.0000059700000000, 0.0005935500000000 ] - [ -0.0017194000000000, 0.0000767800000000, -0.0021290600000000 ] - [ 0.0000002300000000, 0.0000006700000000, 0.0003467700000000 ] - [ 0.0001667100000000, -0.0004836700000000, 0.0008243400000000 ] - [ 0.0000139900000000, 0.0000026000000000, 0.0008536400000000 ] - [ 0.0382246900000000, 0.1309968100000000, 0.0082285700000000 ] - [ 0.0083764400000000, -0.0125755700000000, 0.0003518900000000 ] - [ -0.0036186400000000, -0.0018537000000000, -0.0002246800000000 ] - [ 0.0018756700000000, 0.0006513500000000, -0.0010956900000000 ] - [ 0.0004159800000000, 0.0016767400000000, 0.0023430300000000 ] - [ -0.0019043700000000, -0.0010217000000000, 0.0017777500000000 ] - [ 0.0005226600000000, -0.0001044200000000, 0.0003315400000000 ] - [ -0.0001249600000000, -0.0004251200000000, 0.0003137000000000 ] - [ -0.0003035300000000, 0.0005237400000000, 0.0002787200000000 ] - [ 0.0005059800000000, -0.0001117900000000, -0.0006943600000000 ] - [ -0.0010391700000000, -0.0012399900000000, 0.0003858200000000 ] - [ 0.0049818200000000, 0.0013645300000000, 0.0054864800000000 ] - [ 0.0004459100000000, 0.0000553800000000, 0.0003634000000000 ] - [ -0.0001651700000000, -0.0002821700000000, 0.0003003200000000 ] - [ -0.0002069400000000, 0.0002115000000000, 0.0002002000000000 ] - [ 0.0002275400000000, 0.0002049200000000, 0.0002391800000000 ] - [ -0.0002860800000000, 0.0000922200000000, 0.0002411900000000 ] - [ 0.0000631400000000, -0.0003069300000000, 0.0002333700000000 ] - [ -0.0000227500000000, -0.0001533700000000, -0.0010460900000000 ] - [ -0.0001108300000000, 0.0002905000000000, -0.0000093700000000 ] - [ 0.0045586100000000, 0.0423987600000000, -0.0001438000000000 ] - [ -0.0000804200000000, 0.0003275600000000, -0.0012347700000000 ] - [ -0.0673853200000000, -0.1919912600000000, 0.0070131700000000 ] - [ 0.0121930700000000, -0.0032496300000000, -0.0032452000000000 ] - [ -0.0053434800000000, 0.0023511300000000, 0.0004307700000000 ] - [ -0.0014352700000000, 0.0230751600000000, -0.0000102000000000 ] - [ 0.0056400600000000, -0.0016298300000000, 0.0012577400000000 ] - [ -0.0006218000000000, 0.0007794500000000, 0.0006144200000000 ] - [ -0.0006811100000000, -0.0004645100000000, -0.0005604600000000 ] - [ -0.0017630900000000, 0.0001108300000000, -0.0022338800000000 ] - [ 0.0010167700000000, 0.0050788500000000, 0.0034543500000000 ] - [ 0.0005138700000000, 0.0048840000000000, 0.0001038200000000 ] - [ 0.0012353900000000, -0.0008453500000000, 0.0010661500000000 ] - [ -0.0010980300000000, -0.0000556600000000, 0.0013871100000000 ] - [ 0.0006565600000000, -0.0015530600000000, -0.0002994100000000 ] - [ -0.0000659900000000, -0.0007252600000000, -0.0005404900000000 ] - [ 0.0016543900000000, 0.0005629700000000, -0.0026066500000000 ] - [ 0.0012662500000000, 0.0014136100000000, 0.0001570300000000 ] - [ 0.0000539700000000, 0.0026639300000000, -0.0014570100000000 ] - [ 0.0010453400000000, 0.0002256600000000, -0.0004700200000000 ] - [ 0.0001521100000000, 0.0003281400000000, 0.0005284700000000 ] - [ 0.0076724500000000, -0.0058430300000000, 0.0025265100000000 ] - [ -0.0054088400000000, 0.0011147300000000, -0.0117973500000000 ] - [ 0.0001654000000000, -0.0021256900000000, 0.0006335700000000 ] - [ -0.0003106600000000, 0.0003062100000000, -0.0003622900000000 ] - [ 0.0007958100000000, 0.0011279200000000, -0.0010920700000000 ] - [ 0.0001239300000000, -0.0007911800000000, 0.0000379700000000 ] - [ -0.0000639900000000, 0.0003984700000000, 0.0000273700000000 ] - [ 0.0003124900000000, 0.0001610300000000, -0.0002397700000000 ] - [ -0.0008102000000000, 0.0003237500000000, 0.0000130900000000 ] - [ 0.0006444400000000, 0.0004883600000000, 0.0000037600000000 ] - [ 0.0006311100000000, -0.0003001800000000, 0.0008186200000000 ] - [ -0.0006382000000000, 0.0003891200000000, 0.0004089700000000 ] - [ 0.0000947000000000, 0.0006502200000000, 0.0002554500000000 ] - [ 0.0001727600000000, -0.0001198300000000, 0.0000020500000000 ] - [ 0.0000470200000000, -0.0004626700000000, -0.0003176600000000 ] - [ -0.0003139400000000, -0.0000421600000000, -0.0000089800000000 ] - [ -0.0007523700000000, 0.0000425000000000, 0.0001438600000000 ] - [ 0.0003454100000000, -0.0000355200000000, 0.0002672200000000 ] - [ 0.0001839800000000, -0.0001278500000000, 0.0003268800000000 ] - [ -0.0000878100000000, -0.0005856900000000, -0.0018127800000000 ] - [ -0.0010680600000000, -0.0010217700000000, -0.0000341800000000 ] - [ 0.0002850700000000, -0.0001658000000000, -0.0003338100000000 ] - [ -0.0016483700000000, 0.0018029800000000, -0.0015383300000000 ] - [ -0.0002815800000000, -0.0002015600000000, -0.0003405000000000 ] - [ -0.0000341000000000, 0.0003460200000000, -0.0003643000000000 ] - [ -0.0001287800000000, -0.0002557300000000, -0.0005357600000000 ] - [ 0.0002899700000000, 0.0000142300000000, -0.0005433400000000 ] - [ -0.0003153400000000, 0.0001786300000000, -0.0002859500000000 ] - [ -0.0001608600000000, 0.0002395400000000, -0.0005424500000000 ] - [ 0.0000954900000000, -0.0008062900000000, -0.0000024200000000 ] - [ 0.0000761900000000, 0.0002828900000000, -0.0000544300000000 ] - [ 0.0003141000000000, 0.0001506500000000, -0.0002786900000000 ] - [ -0.0007472300000000, 0.0002324800000000, -0.0000448200000000 ] - [ 0.0006094900000000, 0.0005770500000000, 0.0000147900000000 ] - [ 0.0003674600000000, -0.0000073200000000, 0.0001196100000000 ] - [ -0.0004640700000000, 0.0002491900000000, -0.0003821500000000 ] - [ -0.0001776900000000, 0.0003173300000000, 0.0001173000000000 ] - [ 0.0002081200000000, -0.0002278800000000, -0.0000487800000000 ] - [ 0.0000021200000000, -0.0002868500000000, -0.0002723000000000 ] - [ -0.0002768500000000, -0.0000934800000000, 0.0000011600000000 ] - [ -0.0006626400000000, -0.0000557000000000, -0.0000401000000000 ] - [ 0.0003756700000000, -0.0005391800000000, -0.0000391900000000 ] - [ 0.0000172600000000, -0.0005331600000000, -0.0003858500000000 ] - [ -0.0001923900000000, -0.0003119900000000, 0.0001231400000000 ] - [ 0.0002821900000000, 0.0006040400000000, -0.0000427500000000 ] - [ 0.0003295900000000, -0.0003103100000000, -0.0002493200000000 ] - [ 0.0004504500000000, 0.0002822000000000, -0.0003822300000000 ] - [ -0.0002846200000000, -0.0000208700000000, -0.0001198600000000 ] - [ -0.0000085800000000, 0.0003107400000000, -0.0003799000000000 ]- atom: 41 displacement: [ 0.0050000000144975, -0.0086602540294743, 0.0000000000000000 ] forces: - [ -0.0000523400000000, -0.0000529900000000, -0.0001911000000000 ] - [ 0.0028127000000000, -0.0013922300000000, 0.0026747700000000 ] - [ -0.0015430000000000, 0.0017548800000000, 0.0025452000000000 ] - [ -0.0000682000000000, -0.0000990300000000, -0.0001711700000000 ] - [ 0.0000125300000000, -0.0000025100000000, -0.0001508900000000 ] - [ -0.0000054100000000, 0.0000064100000000, -0.0002393800000000 ] - [ 0.0052148800000000, 0.0005814200000000, -0.0010138600000000 ] - [ -0.0007579800000000, 0.0012166400000000, -0.0003474900000000 ] - [ 0.0000178000000000, -0.0000251200000000, -0.0007384400000000 ] - [ -0.0084040900000000, 0.0103824500000000, -0.0082298200000000 ] - [ -0.0012019900000000, -0.0152219900000000, 0.0108349600000000 ] - [ 0.0008057100000000, -0.0003884000000000, 0.0003531900000000 ] - [ 0.0009231300000000, -0.0001771000000000, -0.0009687700000000 ] - [ -0.0000210100000000, -0.0000043100000000, -0.0005044700000000 ] - [ 0.0017912100000000, -0.0000903900000000, 0.0027163800000000 ] - [ 0.0000018300000000, 0.0000008400000000, -0.0006918000000000 ] - [ -0.0001689200000000, 0.0004882700000000, -0.0007391100000000 ] - [ -0.0000136400000000, -0.0000043600000000, -0.0002825900000000 ] - [ -0.0345832300000000, -0.1287886400000000, -0.0083120000000000 ] - [ -0.0085482700000000, 0.0115812200000000, -0.0006378000000000 ] - [ 0.0028015000000000, 0.0025086900000000, -0.0000483300000000 ] - [ -0.0015985500000000, -0.0004671500000000, 0.0007138200000000 ] - [ -0.0007098300000000, -0.0015396000000000, -0.0027248800000000 ] - [ 0.0019358200000000, 0.0006995300000000, -0.0021664300000000 ] - [ 0.0004861700000000, 0.0004528100000000, -0.0005714400000000 ] - [ -0.0000617400000000, -0.0006221100000000, -0.0005542200000000 ] - [ -0.0004885500000000, 0.0001618400000000, -0.0005192700000000 ] - [ -0.0002296400000000, 0.0003271800000000, 0.0002937300000000 ] - [ 0.0007249100000000, 0.0013914400000000, -0.0008150100000000 ] - [ -0.0049443100000000, -0.0017158800000000, -0.0059099400000000 ] - [ 0.0005617000000000, 0.0002848900000000, -0.0006025900000000 ] - [ -0.0000144900000000, -0.0007585300000000, -0.0005413300000000 ] - [ -0.0005698300000000, 0.0004640100000000, -0.0004420600000000 ] - [ 0.0000452200000000, -0.0000084900000000, -0.0006286700000000 ] - [ -0.0000098100000000, 0.0000349100000000, -0.0006323200000000 ] - [ -0.0000205900000000, -0.0000294200000000, -0.0006277000000000 ] - [ 0.0000166000000000, -0.0003809800000000, 0.0005162000000000 ] - [ 0.0005807400000000, -0.0000327900000000, -0.0005231700000000 ] - [ -0.0050319200000000, -0.0412053600000000, 0.0000025700000000 ] - [ -0.0003773300000000, -0.0000570100000000, 0.0007051300000000 ] - [ 0.0651075400000000, 0.1879755500000000, -0.0070676500000000 ] - [ -0.0125041800000000, 0.0036555800000000, 0.0038050800000000 ] - [ 0.0058345400000000, -0.0019940600000000, -0.0006525500000000 ] - [ -0.0002752800000000, -0.0226308100000000, 0.0003150000000000 ] - [ -0.0041714700000000, 0.0026952800000000, -0.0009296900000000 ] - [ 0.0014781500000000, -0.0009578600000000, 0.0001162300000000 ] - [ -0.0001302200000000, 0.0012312900000000, 0.0002278700000000 ] - [ 0.0014815700000000, 0.0007122800000000, 0.0029566000000000 ] - [ -0.0004362500000000, -0.0051612500000000, -0.0029943000000000 ] - [ -0.0004390700000000, -0.0054645900000000, -0.0003226300000000 ] - [ -0.0015876500000000, 0.0003690800000000, -0.0005969500000000 ] - [ -0.0000636500000000, -0.0000271400000000, -0.0011398700000000 ] - [ -0.0000077900000000, 0.0006067900000000, 0.0005522400000000 ] - [ -0.0001932500000000, -0.0003609200000000, 0.0002052100000000 ] - [ -0.0022215900000000, -0.0012149200000000, 0.0033271400000000 ] - [ -0.0007648600000000, -0.0003727900000000, 0.0000867400000000 ] - [ 0.0003764300000000, -0.0031871800000000, 0.0013597900000000 ] - [ 0.0000161300000000, 0.0000914700000000, 0.0001409000000000 ] - [ -0.0008139900000000, -0.0004484000000000, -0.0006326700000000 ] - [ -0.0075792900000000, 0.0063469000000000, -0.0027328200000000 ] - [ 0.0054463300000000, -0.0016589800000000, 0.0113810700000000 ] - [ 0.0003029800000000, 0.0023773700000000, -0.0011645300000000 ] - [ -0.0002609000000000, -0.0000483100000000, 0.0001328700000000 ] - [ -0.0012522300000000, -0.0008575400000000, 0.0005830800000000 ] - [ 0.0000431600000000, -0.0010021900000000, 0.0003034600000000 ] - [ -0.0001871500000000, 0.0001458600000000, 0.0004457500000000 ] - [ 0.0001965500000000, 0.0002039600000000, 0.0000095700000000 ] - [ -0.0008331100000000, 0.0004374400000000, 0.0003280200000000 ] - [ 0.0008173300000000, 0.0005562400000000, 0.0003365700000000 ] - [ 0.0002266200000000, 0.0001120200000000, -0.0000683200000000 ] - [ -0.0001740000000000, 0.0003643400000000, -0.0007401300000000 ] - [ -0.0003608300000000, 0.0001833800000000, 0.0004983900000000 ] - [ 0.0004202400000000, 0.0000598600000000, 0.0004677000000000 ] - [ 0.0000146800000000, -0.0001616400000000, 0.0000880500000000 ] - [ -0.0000348700000000, -0.0004427600000000, 0.0004756600000000 ] - [ -0.0004024300000000, -0.0001313200000000, 0.0001025600000000 ] - [ 0.0003077900000000, -0.0009297500000000, -0.0000260500000000 ] - [ -0.0004358700000000, -0.0009569000000000, -0.0006558200000000 ] - [ -0.0005044000000000, -0.0000618100000000, 0.0025783200000000 ] - [ 0.0015755600000000, 0.0020793600000000, 0.0002791700000000 ] - [ 0.0001700200000000, -0.0003191500000000, 0.0001943800000000 ] - [ 0.0027088900000000, -0.0014742200000000, 0.0012097400000000 ] - [ -0.0003676200000000, 0.0000519400000000, 0.0002042900000000 ] - [ 0.0002249000000000, 0.0002917400000000, 0.0002227100000000 ] - [ 0.0001195600000000, -0.0002783200000000, 0.0000063200000000 ] - [ 0.0001812900000000, 0.0002406200000000, 0.0000092100000000 ] - [ -0.0002575100000000, 0.0000838400000000, 0.0000545100000000 ] - [ -0.0002955800000000, 0.0000360900000000, 0.0000117000000000 ] - [ 0.0000768600000000, -0.0009816600000000, 0.0003457600000000 ] - [ -0.0003304200000000, 0.0002618100000000, 0.0005333100000000 ] - [ 0.0001865200000000, 0.0002131800000000, 0.0000490500000000 ] - [ -0.0008929600000000, 0.0005191000000000, 0.0003863800000000 ] - [ 0.0008421300000000, 0.0004689800000000, 0.0003276100000000 ] - [ 0.0004857700000000, -0.0001687600000000, 0.0006171000000000 ] - [ -0.0003441300000000, 0.0005142500000000, 0.0000489300000000 ] - [ -0.0000959700000000, 0.0005096300000000, 0.0006196300000000 ] - [ 0.0003865900000000, 0.0001724700000000, 0.0005244300000000 ] - [ 0.0000580500000000, -0.0003351600000000, 0.0000413300000000 ] - [ -0.0000717600000000, -0.0003935700000000, 0.0004694600000000 ] - [ -0.0004980100000000, -0.0000306900000000, 0.0002882200000000 ] - [ 0.0002755800000000, -0.0004100700000000, 0.0002862400000000 ] - [ -0.0002755800000000, -0.0005500700000000, 0.0000524600000000 ] - [ -0.0003900600000000, -0.0003394200000000, 0.0006173800000000 ] - [ 0.0002198200000000, 0.0004408900000000, 0.0002877300000000 ] - [ 0.0001230000000000, -0.0001768100000000, 0.0001105600000000 ] - [ 0.0006093700000000, 0.0000432400000000, 0.0000480000000000 ] - [ -0.0003691100000000, -0.0001235900000000, -0.0000120200000000 ] - [ 0.0002013400000000, 0.0003277000000000, 0.0002366000000000 ]- atom: 41 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000080800000000, 0.0000618300000000, -0.0007600400000000 ] - [ -0.0031680300000000, -0.0041327000000000, 0.0005995500000000 ] - [ -0.0002756800000000, 0.0000194600000000, 0.0018354900000000 ] - [ -0.0000308800000000, -0.0000816900000000, -0.0008530700000000 ] - [ 0.0000076700000000, 0.0000075400000000, -0.0008843800000000 ] - [ 0.0000022800000000, 0.0000047200000000, -0.0008673200000000 ] - [ 0.0115769100000000, 0.0000400200000000, -0.0025939800000000 ] - [ -0.0008383600000000, 0.0004165800000000, -0.0028259500000000 ] - [ -0.0000311300000000, -0.0000204600000000, -0.0033536200000000 ] - [ 0.0005884900000000, 0.0014609800000000, 0.0047135400000000 ] - [ -0.0208956100000000, -0.0270333800000000, 0.0502583900000000 ] - [ -0.0007478300000000, -0.0009416800000000, -0.0033620900000000 ] - [ 0.0005779800000000, 0.0004610600000000, -0.0028504300000000 ] - [ -0.0000211500000000, -0.0000141700000000, -0.0025858400000000 ] - [ -0.0064628000000000, 0.0004691500000000, 0.0006725900000000 ] - [ 0.0000155900000000, -0.0000002500000000, -0.0025362900000000 ] - [ 0.0002810900000000, 0.0000760100000000, -0.0023122200000000 ] - [ 0.0000018800000000, -0.0000131800000000, -0.0023716100000000 ] - [ 0.0164558600000000, 0.0193524500000000, 0.0579641100000000 ] - [ -0.0012899900000000, 0.0020838400000000, 0.0077344900000000 ] - [ 0.0022386500000000, 0.0000290200000000, 0.0068761400000000 ] - [ 0.0029083200000000, -0.0017830400000000, -0.0013000300000000 ] - [ -0.0010049400000000, 0.0021410700000000, -0.0014533600000000 ] - [ -0.0011530500000000, 0.0005129200000000, -0.0004734100000000 ] - [ 0.0007071400000000, 0.0007548800000000, -0.0022587500000000 ] - [ 0.0002225000000000, -0.0009227900000000, -0.0022485500000000 ] - [ -0.0009685000000000, 0.0000951800000000, -0.0022778600000000 ] - [ 0.0010422500000000, -0.0033241300000000, -0.0049372200000000 ] - [ 0.0006094700000000, -0.0011504900000000, 0.0000578900000000 ] - [ -0.0043545300000000, -0.0006358400000000, -0.0064256600000000 ] - [ 0.0006724900000000, 0.0006284300000000, -0.0023413500000000 ] - [ 0.0003113500000000, -0.0007942700000000, -0.0025598100000000 ] - [ -0.0009037400000000, 0.0002308200000000, -0.0023821400000000 ] - [ -0.0003361300000000, -0.0004415100000000, -0.0022156500000000 ] - [ 0.0005556100000000, -0.0000710300000000, -0.0022268600000000 ] - [ -0.0002100700000000, 0.0005095400000000, -0.0022191200000000 ] - [ 0.0003894900000000, -0.0003075500000000, 0.0003363300000000 ] - [ -0.0004809900000000, 0.0008731700000000, 0.0008788900000000 ] - [ -0.0014003900000000, 0.0003715800000000, -0.0130499400000000 ] - [ -0.0005978600000000, -0.0007764100000000, 0.0010000500000000 ] - [ 0.0130230300000000, 0.0156864200000000, -0.1122047400000000 ] - [ -0.0300557300000000, -0.0175631200000000, 0.0079519000000000 ] - [ 0.0011013900000000, -0.0000086500000000, -0.0024360100000000 ] - [ 0.0002839700000000, -0.0002056200000000, -0.0040233700000000 ] - [ 0.0001352900000000, 0.0010349100000000, -0.0040218500000000 ] - [ -0.0005176900000000, 0.0010178800000000, -0.0006534600000000 ] - [ -0.0011819500000000, 0.0009811700000000, 0.0004991700000000 ] - [ 0.0000703700000000, -0.0011489300000000, -0.0000926800000000 ] - [ -0.0026371000000000, -0.0042513100000000, -0.0043059000000000 ] - [ -0.0002774500000000, -0.0005883100000000, -0.0018122700000000 ] - [ -0.0028341100000000, 0.0029171400000000, -0.0038922900000000 ] - [ -0.0015702000000000, 0.0010545100000000, 0.0023195000000000 ] - [ 0.0013981400000000, -0.0011213200000000, 0.0021568100000000 ] - [ -0.0009627000000000, -0.0010220500000000, 0.0002278400000000 ] - [ 0.0005195600000000, -0.0007687300000000, -0.0008016700000000 ] - [ 0.0008563500000000, 0.0010621800000000, 0.0004364700000000 ] - [ 0.0023583400000000, 0.0022966100000000, -0.0045391700000000 ] - [ 0.0006036300000000, -0.0005484700000000, 0.0005338900000000 ] - [ 0.0010259400000000, -0.0021975900000000, -0.0041641000000000 ] - [ 0.0232834700000000, 0.0151267800000000, 0.0066601700000000 ] - [ 0.0053096700000000, -0.0037680500000000, 0.0103839400000000 ] - [ -0.0046427300000000, 0.0025940400000000, 0.0067722300000000 ] - [ -0.0001978300000000, -0.0002084000000000, 0.0006807900000000 ] - [ -0.0008344400000000, -0.0003802200000000, -0.0012249300000000 ] - [ -0.0000842600000000, -0.0011952300000000, 0.0009331600000000 ] - [ -0.0009015800000000, 0.0001716800000000, 0.0014662900000000 ] - [ -0.0000290800000000, 0.0001705200000000, 0.0006303500000000 ] - [ -0.0009789800000000, 0.0006604900000000, 0.0009616800000000 ] - [ 0.0011018200000000, 0.0005577100000000, 0.0009644100000000 ] - [ 0.0004873400000000, -0.0002647000000000, 0.0020425100000000 ] - [ -0.0000867600000000, 0.0017291200000000, 0.0005672600000000 ] - [ -0.0002469100000000, 0.0006550100000000, 0.0007992400000000 ] - [ 0.0007412500000000, 0.0007316100000000, 0.0015092300000000 ] - [ 0.0002075600000000, -0.0000012900000000, 0.0007342100000000 ] - [ 0.0003524000000000, -0.0009214300000000, 0.0015044600000000 ] - [ -0.0020187000000000, 0.0006310900000000, 0.0006681900000000 ] - [ 0.0002926000000000, 0.0007757300000000, 0.0008212100000000 ] - [ -0.0003560800000000, -0.0003791500000000, -0.0001966900000000 ] - [ -0.0008198200000000, -0.0002861500000000, 0.0027587300000000 ] - [ 0.0011126500000000, 0.0005686200000000, 0.0009612600000000 ] - [ -0.0000795900000000, -0.0006466300000000, 0.0012273500000000 ] - [ 0.0029818900000000, -0.0018603100000000, 0.0015337100000000 ] - [ -0.0005293000000000, 0.0004306200000000, 0.0012556500000000 ] - [ 0.0006038000000000, 0.0002529900000000, 0.0012365400000000 ] - [ 0.0005847000000000, -0.0003158400000000, 0.0010384000000000 ] - [ -0.0000158700000000, 0.0006660700000000, 0.0010386900000000 ] - [ -0.0001797900000000, -0.0001085800000000, 0.0006374600000000 ] - [ -0.0005639300000000, -0.0003514500000000, 0.0010462500000000 ] - [ -0.0000620600000000, -0.0011340400000000, 0.0009347400000000 ] - [ -0.0010068900000000, 0.0002207200000000, 0.0015713600000000 ] - [ -0.0000917100000000, 0.0001765300000000, 0.0006693000000000 ] - [ -0.0009873500000000, 0.0005655100000000, 0.0009654900000000 ] - [ 0.0010472600000000, 0.0005201100000000, 0.0009626400000000 ] - [ 0.0007197800000000, -0.0004632400000000, 0.0015196600000000 ] - [ -0.0001002500000000, 0.0010104700000000, 0.0008411800000000 ] - [ 0.0000372000000000, 0.0008545900000000, 0.0015215000000000 ] - [ 0.0007124900000000, 0.0007955400000000, 0.0016563100000000 ] - [ 0.0002028900000000, -0.0000521900000000, 0.0006447100000000 ] - [ 0.0003266800000000, -0.0009956200000000, 0.0015971400000000 ] - [ -0.0001906200000000, 0.0000200400000000, 0.0008874800000000 ] - [ 0.0000769400000000, -0.0001708500000000, 0.0008860400000000 ] - [ -0.0008254900000000, -0.0005927300000000, 0.0008463200000000 ] - [ -0.0007587600000000, -0.0003925500000000, 0.0015181900000000 ] - [ 0.0001102600000000, 0.0001540500000000, 0.0008866200000000 ] - [ -0.0001662600000000, -0.0008164700000000, 0.0015770300000000 ] - [ 0.0009239500000000, -0.0004129500000000, 0.0008426900000000 ] - [ -0.0004956500000000, 0.0005357300000000, 0.0013835400000000 ] - [ 0.0006935700000000, 0.0003603400000000, 0.0012973600000000 ]- atom: 41 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0000084400000000, -0.0000629800000000, 0.0008644800000000 ] - [ 0.0030812000000000, 0.0040264200000000, -0.0008457100000000 ] - [ 0.0002621300000000, -0.0000100300000000, -0.0016992500000000 ] - [ 0.0000317700000000, 0.0000801400000000, 0.0007311900000000 ] - [ -0.0000088600000000, -0.0000075100000000, 0.0009930900000000 ] - [ -0.0000030000000000, -0.0000046400000000, 0.0007439500000000 ] - [ -0.0114961000000000, -0.0000578200000000, 0.0024461100000000 ] - [ 0.0008260200000000, -0.0004104800000000, 0.0027186800000000 ] - [ 0.0000287000000000, 0.0000251800000000, 0.0032471500000000 ] - [ -0.0006542000000000, -0.0014013300000000, -0.0051543700000000 ] - [ 0.0197300200000000, 0.0255802300000000, -0.0491435600000000 ] - [ 0.0007522400000000, 0.0009475400000000, 0.0039186200000000 ] - [ -0.0005773600000000, -0.0004492100000000, 0.0024889000000000 ] - [ 0.0000218800000000, 0.0000154100000000, 0.0026646700000000 ] - [ 0.0065325900000000, -0.0004797800000000, -0.0000536500000000 ] - [ -0.0000142900000000, 0.0000022200000000, 0.0021835700000000 ] - [ -0.0002872300000000, -0.0000712700000000, 0.0023836100000000 ] - [ -0.0000017800000000, 0.0000111800000000, 0.0029315000000000 ] - [ -0.0164022600000000, -0.0203393900000000, -0.0587806100000000 ] - [ 0.0010975300000000, -0.0031230700000000, -0.0080000900000000 ] - [ -0.0029877500000000, 0.0006729400000000, -0.0071420200000000 ] - [ -0.0026593300000000, 0.0019793300000000, 0.0008977200000000 ] - [ 0.0007189400000000, -0.0020398000000000, 0.0010498500000000 ] - [ 0.0012090300000000, -0.0008302200000000, 0.0000500800000000 ] - [ 0.0003054200000000, -0.0004045000000000, 0.0020067900000000 ] - [ -0.0004085800000000, -0.0001280700000000, 0.0019961200000000 ] - [ 0.0001714400000000, 0.0005901700000000, 0.0020254500000000 ] - [ -0.0007542300000000, 0.0034946800000000, 0.0044740200000000 ] - [ -0.0009183500000000, 0.0013028500000000, -0.0004755600000000 ] - [ 0.0043545300000000, 0.0002620800000000, 0.0059546900000000 ] - [ 0.0003388800000000, -0.0002857300000000, 0.0020916500000000 ] - [ -0.0004917400000000, -0.0002524500000000, 0.0023097200000000 ] - [ 0.0001229800000000, 0.0004466900000000, 0.0021297400000000 ] - [ 0.0006080700000000, 0.0006374700000000, 0.0018186100000000 ] - [ -0.0008511900000000, 0.0001976800000000, 0.0018280600000000 ] - [ 0.0002523400000000, -0.0008454000000000, 0.0018171200000000 ] - [ -0.0003930600000000, -0.0002275200000000, -0.0008529200000000 ] - [ 0.0009550300000000, -0.0006159500000000, -0.0014075300000000 ] - [ 0.0008200000000000, -0.0003453500000000, 0.0128457200000000 ] - [ 0.0001387700000000, 0.0010504700000000, -0.0015247000000000 ] - [ -0.0109999000000000, -0.0144540200000000, 0.1119746600000000 ] - [ 0.0299219500000000, 0.0181801300000000, -0.0074083700000000 ] - [ -0.0005653600000000, 0.0003665900000000, 0.0022066100000000 ] - [ -0.0019015900000000, 0.0009258700000000, 0.0043297200000000 ] - [ 0.0012547500000000, 0.0000114500000000, 0.0043312100000000 ] - [ 0.0013806400000000, -0.0012063500000000, 0.0014041800000000 ] - [ 0.0003713100000000, -0.0002171900000000, -0.0008308400000000 ] - [ -0.0003355800000000, 0.0019959100000000, 0.0008502100000000 ] - [ 0.0032307500000000, 0.0041971100000000, 0.0047865300000000 ] - [ 0.0003256700000000, -0.0000810500000000, 0.0015860000000000 ] - [ 0.0024691600000000, -0.0034037500000000, 0.0043661700000000 ] - [ 0.0004214100000000, -0.0011492700000000, -0.0020856800000000 ] - [ -0.0007629700000000, 0.0001882000000000, -0.0019207200000000 ] - [ 0.0007056500000000, -0.0000569500000000, -0.0005603500000000 ] - [ -0.0011174600000000, 0.0001096300000000, 0.0015719500000000 ] - [ -0.0003679100000000, -0.0000349600000000, -0.0001880500000000 ] - [ -0.0019074000000000, -0.0027878400000000, 0.0044072000000000 ] - [ 0.0004482100000000, 0.0008721000000000, -0.0008616100000000 ] - [ -0.0016949100000000, 0.0020553200000000, 0.0040381600000000 ] - [ -0.0228838000000000, -0.0143665300000000, -0.0067844200000000 ] - [ -0.0051762100000000, 0.0031392600000000, -0.0106908600000000 ] - [ 0.0049972800000000, -0.0022730000000000, -0.0071549900000000 ] - [ -0.0003741300000000, 0.0004655300000000, -0.0009091200000000 ] - [ 0.0003701300000000, 0.0006377400000000, 0.0007078800000000 ] - [ 0.0002508600000000, -0.0005987800000000, -0.0005884200000000 ] - [ 0.0006415800000000, 0.0003726000000000, -0.0009825600000000 ] - [ 0.0005368800000000, 0.0001935000000000, -0.0008592700000000 ] - [ -0.0006652600000000, 0.0001007200000000, -0.0006171200000000 ] - [ 0.0003609300000000, 0.0004872200000000, -0.0006208500000000 ] - [ 0.0003704000000000, 0.0000747600000000, -0.0012722400000000 ] - [ -0.0007211200000000, -0.0009566200000000, -0.0008950700000000 ] - [ -0.0000217000000000, 0.0001749100000000, -0.0000483800000000 ] - [ -0.0001431200000000, -0.0007834400000000, -0.0010288400000000 ] - [ -0.0001450400000000, -0.0006217300000000, -0.0009616600000000 ] - [ -0.0006958700000000, 0.0004289500000000, -0.0010271300000000 ] - [ 0.0008341700000000, -0.0007091900000000, -0.0004147400000000 ] - [ 0.0003591700000000, -0.0017369600000000, -0.0005800000000000 ] - [ 0.0001108600000000, -0.0007058900000000, -0.0001462200000000 ] - [ 0.0002276200000000, -0.0003603900000000, -0.0019840200000000 ] - [ -0.0005992000000000, 0.0004958100000000, -0.0007189000000000 ] - [ 0.0005328100000000, 0.0001589700000000, -0.0013618100000000 ] - [ -0.0019002000000000, 0.0021776400000000, -0.0018527300000000 ] - [ -0.0001217700000000, -0.0005775200000000, -0.0013864500000000 ] - [ -0.0004103400000000, 0.0003846000000000, -0.0013729800000000 ] - [ -0.0005914000000000, -0.0002187900000000, -0.0015642700000000 ] - [ 0.0004860100000000, -0.0004088000000000, -0.0015693500000000 ] - [ -0.0003931600000000, 0.0003698700000000, -0.0008671500000000 ] - [ 0.0001055400000000, 0.0006247000000000, -0.0015735100000000 ] - [ 0.0002334900000000, -0.0006555900000000, -0.0005875000000000 ] - [ 0.0007431100000000, 0.0003239400000000, -0.0010825200000000 ] - [ 0.0005917100000000, 0.0001877500000000, -0.0008974900000000 ] - [ -0.0006535600000000, 0.0001877000000000, -0.0006201800000000 ] - [ 0.0004052900000000, 0.0005257400000000, -0.0006167600000000 ] - [ 0.0001337400000000, 0.0002854800000000, -0.0007785100000000 ] - [ -0.0007090200000000, -0.0002488600000000, -0.0011730200000000 ] - [ -0.0003100500000000, -0.0000266900000000, -0.0007801900000000 ] - [ -0.0001135500000000, -0.0008433200000000, -0.0011713400000000 ] - [ -0.0001422800000000, -0.0005692300000000, -0.0008742000000000 ] - [ -0.0006708500000000, 0.0005001900000000, -0.0011165500000000 ] - [ -0.0009702500000000, -0.0001067300000000, -0.0006384200000000 ] - [ 0.0005737000000000, -0.0007779600000000, -0.0006380200000000 ] - [ 0.0005690100000000, -0.0004906800000000, -0.0011786600000000 ] - [ 0.0001743300000000, -0.0002586800000000, -0.0007730400000000 ] - [ 0.0003913500000000, 0.0008906100000000, -0.0006407400000000 ] - [ 0.0006185800000000, 0.0003292000000000, -0.0017132500000000 ] - [ 0.0001345800000000, 0.0007399600000000, -0.0011757400000000 ] - [ -0.0001596700000000, -0.0006797000000000, -0.0015108200000000 ] - [ -0.0004998300000000, 0.0002766200000000, -0.0014357600000000 ]- atom: 42 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0004722500000000, -0.0000168300000000, 0.0025116600000000 ] - [ -0.0022973300000000, -0.0028436900000000, -0.0043659600000000 ] - [ -0.0017662500000000, 0.0028030700000000, 0.0019926700000000 ] - [ 0.0001183200000000, 0.0000551200000000, 0.0007976700000000 ] - [ -0.0000046300000000, -0.0000036700000000, 0.0011215400000000 ] - [ -0.0000142200000000, -0.0000001000000000, 0.0008462400000000 ] - [ 0.0437963700000000, -0.0018674100000000, -0.0247922300000000 ] - [ -0.0000084800000000, 0.0002635600000000, 0.0038958700000000 ] - [ -0.0000202500000000, -0.0000490500000000, 0.0036332800000000 ] - [ -0.0116680700000000, 0.0144775200000000, -0.0160819200000000 ] - [ -0.0093586500000000, -0.0132609400000000, 0.0059356300000000 ] - [ -0.0004777000000000, -0.0001552500000000, 0.0009947300000000 ] - [ -0.0002538600000000, -0.0002041100000000, 0.0025799400000000 ] - [ 0.0000285400000000, 0.0000104800000000, 0.0030608700000000 ] - [ 0.0096850000000000, 0.0002894100000000, -0.0004985000000000 ] - [ 0.0000974300000000, 0.0000085700000000, 0.0028262800000000 ] - [ -0.0007984500000000, -0.0001837000000000, 0.0025040200000000 ] - [ -0.0000086000000000, 0.0000066900000000, 0.0033427200000000 ] - [ 0.1203533900000000, 0.0007386200000000, -0.1020204600000000 ] - [ -0.0066628300000000, -0.0176531500000000, -0.0219681700000000 ] - [ -0.0115407400000000, 0.0147300900000000, -0.0218945800000000 ] - [ 0.0057300500000000, 0.0102734400000000, -0.0034490600000000 ] - [ -0.0178083000000000, -0.0031417000000000, -0.0066510000000000 ] - [ 0.0117376800000000, -0.0082655600000000, -0.0079498900000000 ] - [ 0.0001659800000000, -0.0004548800000000, 0.0023951400000000 ] - [ -0.0004036000000000, 0.0000505200000000, 0.0023997200000000 ] - [ 0.0002771000000000, 0.0003914900000000, 0.0024582700000000 ] - [ -0.0016204800000000, 0.0012844800000000, 0.0032320800000000 ] - [ 0.0001001300000000, 0.0012052300000000, 0.0009384200000000 ] - [ 0.0014625300000000, -0.0013655300000000, 0.0032749100000000 ] - [ -0.0001809500000000, 0.0001404100000000, 0.0021690200000000 ] - [ 0.0000469900000000, 0.0002607700000000, 0.0018569800000000 ] - [ 0.0002023000000000, -0.0002631300000000, 0.0021387600000000 ] - [ 0.0006930600000000, 0.0006689200000000, 0.0021489100000000 ] - [ -0.0009182400000000, 0.0002520700000000, 0.0021518200000000 ] - [ 0.0002230000000000, -0.0009303900000000, 0.0021598900000000 ] - [ -0.0015766500000000, 0.0007957100000000, 0.0002610100000000 ] - [ -0.0000210500000000, -0.0018977700000000, -0.0010643800000000 ] - [ 0.0259046900000000, -0.0222525400000000, -0.0213086000000000 ] - [ 0.0031255200000000, 0.0021735100000000, -0.0015420200000000 ] - [ 0.0319282800000000, 0.0316238400000000, -0.0296608700000000 ] - [ -0.2507446400000000, -0.0075573900000000, 0.2085030400000000 ] - [ 0.0072787400000000, 0.0012637700000000, 0.0041926000000000 ] - [ -0.0020575100000000, 0.0100036900000000, 0.0042467600000000 ] - [ 0.0116741400000000, -0.0002472100000000, 0.0053178900000000 ] - [ 0.0007154900000000, -0.0033350700000000, 0.0038690300000000 ] - [ -0.0031629100000000, -0.0103903300000000, -0.0072600700000000 ] - [ 0.0066422600000000, 0.0031430300000000, 0.0073394100000000 ] - [ 0.0211314200000000, 0.0224397200000000, 0.0145376500000000 ] - [ 0.0003776300000000, -0.0071899300000000, 0.0032053400000000 ] - [ 0.0206164800000000, -0.0227428000000000, 0.0145741000000000 ] - [ -0.0032705900000000, -0.0005741700000000, 0.0017017000000000 ] - [ 0.0043751600000000, -0.0020140700000000, 0.0018525200000000 ] - [ 0.0213769600000000, 0.0018113900000000, -0.0093012000000000 ] - [ -0.0047751300000000, -0.0044269100000000, 0.0095402700000000 ] - [ -0.0010718400000000, 0.0019140500000000, 0.0014582700000000 ] - [ -0.0009946400000000, -0.0008576600000000, 0.0061672500000000 ] - [ -0.0048322700000000, 0.0105841300000000, -0.0084886800000000 ] - [ -0.0011211600000000, 0.0006060100000000, 0.0061351700000000 ] - [ -0.0110350100000000, 0.0004465700000000, -0.0103435400000000 ] - [ -0.0022671700000000, 0.0013094700000000, -0.0040783200000000 ] - [ 0.0030963500000000, -0.0010757000000000, -0.0040044900000000 ] - [ -0.0003804700000000, 0.0004448900000000, -0.0010063200000000 ] - [ -0.0004507900000000, -0.0001464700000000, 0.0002454200000000 ] - [ 0.0002923700000000, -0.0005389200000000, -0.0007072600000000 ] - [ 0.0009637600000000, 0.0003305300000000, -0.0013218100000000 ] - [ 0.0005472900000000, 0.0001542200000000, -0.0009844700000000 ] - [ -0.0006392400000000, 0.0000168700000000, -0.0007298500000000 ] - [ 0.0003001800000000, 0.0005176900000000, -0.0007495300000000 ] - [ 0.0004028500000000, 0.0002503800000000, -0.0011512000000000 ] - [ -0.0002234100000000, -0.0004372000000000, -0.0017350800000000 ] - [ -0.0003152700000000, -0.0000627800000000, -0.0005508700000000 ] - [ -0.0002084500000000, -0.0010417400000000, -0.0013543000000000 ] - [ -0.0001544000000000, -0.0005632900000000, -0.0010251700000000 ] - [ -0.0007648700000000, 0.0006202900000000, -0.0013436400000000 ] - [ 0.0005024200000000, -0.0003156700000000, -0.0000150700000000 ] - [ -0.0001386100000000, -0.0014147200000000, -0.0005343800000000 ] - [ 0.0000814300000000, -0.0009570100000000, -0.0014103200000000 ] - [ 0.0003052700000000, -0.0002322700000000, -0.0013320200000000 ] - [ -0.0003805200000000, 0.0013365900000000, -0.0011805300000000 ] - [ 0.0005704200000000, 0.0002076700000000, -0.0015764900000000 ] - [ -0.0005008500000000, 0.0012409900000000, -0.0013251500000000 ] - [ -0.0000993600000000, -0.0006161700000000, -0.0015978600000000 ] - [ -0.0004660400000000, 0.0003959200000000, -0.0015748700000000 ] - [ -0.0006797000000000, -0.0002143600000000, -0.0017792800000000 ] - [ 0.0005242700000000, -0.0004861700000000, -0.0017799700000000 ] - [ -0.0002004300000000, 0.0001067900000000, -0.0012250700000000 ] - [ 0.0001546000000000, 0.0006983300000000, -0.0017815200000000 ] - [ 0.0003367100000000, -0.0006785500000000, -0.0006015000000000 ] - [ 0.0009635500000000, 0.0002806800000000, -0.0012431100000000 ] - [ 0.0001888900000000, 0.0000906500000000, -0.0010757100000000 ] - [ -0.0005760100000000, -0.0000553400000000, -0.0006786900000000 ] - [ 0.0002929800000000, 0.0006117300000000, -0.0007081200000000 ] - [ 0.0000669100000000, 0.0003644600000000, -0.0009896000000000 ] - [ -0.0007420200000000, -0.0003082200000000, -0.0013061800000000 ] - [ -0.0003612900000000, -0.0001136600000000, -0.0009868400000000 ] - [ -0.0002012600000000, -0.0009455400000000, -0.0011479200000000 ] - [ -0.0000718000000000, -0.0002131200000000, -0.0012097200000000 ] - [ -0.0007581900000000, 0.0007243100000000, -0.0012581000000000 ] - [ -0.0010366500000000, -0.0001100200000000, -0.0007581700000000 ] - [ 0.0006103200000000, -0.0008302800000000, -0.0007591500000000 ] - [ 0.0006373100000000, -0.0004845400000000, -0.0013070000000000 ] - [ 0.0002871100000000, -0.0002501800000000, -0.0010069300000000 ] - [ 0.0004260900000000, 0.0009513200000000, -0.0007638900000000 ] - [ 0.0003371500000000, -0.0001234000000000, -0.0008984300000000 ] - [ 0.0001081200000000, 0.0007989000000000, -0.0013074800000000 ] - [ -0.0002924600000000, -0.0000109300000000, -0.0009565800000000 ] - [ 0.0000510200000000, 0.0002026600000000, -0.0010553900000000 ]- atom: 42 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0004623900000000, 0.0000167700000000, -0.0023785300000000 ] - [ 0.0022763900000000, 0.0028328300000000, 0.0042199300000000 ] - [ 0.0017552100000000, -0.0027912600000000, -0.0018885400000000 ] - [ -0.0001152800000000, -0.0000547800000000, -0.0009074200000000 ] - [ 0.0000032100000000, 0.0000036400000000, -0.0010004800000000 ] - [ 0.0000135500000000, 0.0000001300000000, -0.0009583700000000 ] - [ -0.0406887300000000, 0.0018032400000000, 0.0221717700000000 ] - [ 0.0000037100000000, -0.0002612400000000, -0.0039727300000000 ] - [ 0.0000166800000000, 0.0000531900000000, -0.0036967900000000 ] - [ 0.0115874600000000, -0.0144372900000000, 0.0156556900000000 ] - [ 0.0092951300000000, 0.0131958100000000, -0.0058546800000000 ] - [ 0.0004644400000000, 0.0001617500000000, -0.0004269600000000 ] - [ 0.0002464200000000, 0.0002107100000000, -0.0029053000000000 ] - [ -0.0000271400000000, -0.0000088900000000, -0.0029456200000000 ] - [ -0.0094543300000000, -0.0002923700000000, 0.0011557200000000 ] - [ -0.0000945700000000, -0.0000065300000000, -0.0031449800000000 ] - [ 0.0007863800000000, 0.0001808800000000, -0.0024024500000000 ] - [ 0.0000087300000000, -0.0000086200000000, -0.0027438500000000 ] - [ -0.1233985000000000, -0.0005887300000000, 0.1090580500000000 ] - [ 0.0064720700000000, 0.0164971400000000, 0.0214392100000000 ] - [ 0.0107064700000000, -0.0139530600000000, 0.0213534200000000 ] - [ -0.0054164800000000, -0.0100202200000000, 0.0030013400000000 ] - [ 0.0173514800000000, 0.0032389100000000, 0.0062329000000000 ] - [ -0.0116080300000000, 0.0078968900000000, 0.0074552200000000 ] - [ 0.0008369600000000, 0.0007974000000000, -0.0026077600000000 ] - [ 0.0002172300000000, -0.0010899400000000, -0.0026126500000000 ] - [ -0.0010634900000000, 0.0002907600000000, -0.0026707100000000 ] - [ 0.0018946500000000, -0.0010902500000000, -0.0036557000000000 ] - [ -0.0004082100000000, -0.0010265900000000, -0.0013642700000000 ] - [ -0.0014333300000000, 0.0009791200000000, -0.0036883300000000 ] - [ 0.0011785200000000, 0.0002009300000000, -0.0023799300000000 ] - [ -0.0002236000000000, -0.0012907000000000, -0.0020732100000000 ] - [ -0.0009715500000000, 0.0009270000000000, -0.0023551400000000 ] - [ -0.0004161200000000, -0.0004773000000000, -0.0025234500000000 ] - [ 0.0006245000000000, -0.0001192500000000, -0.0025279500000000 ] - [ -0.0001871500000000, 0.0005927300000000, -0.0025391500000000 ] - [ 0.0015475200000000, -0.0013186400000000, -0.0007868200000000 ] - [ 0.0004934100000000, 0.0021355400000000, 0.0005271900000000 ] - [ -0.0266220700000000, 0.0227472900000000, 0.0214699200000000 ] - [ -0.0035437200000000, -0.0018702200000000, 0.0009826400000000 ] - [ -0.0319209900000000, -0.0337639900000000, 0.0303173900000000 ] - [ 0.2509719600000000, 0.0085376900000000, -0.2129631800000000 ] - [ -0.0067217300000000, -0.0008865100000000, -0.0043688800000000 ] - [ 0.0004040800000000, -0.0092060700000000, -0.0038800500000000 ] - [ -0.0101619900000000, 0.0012833500000000, -0.0049342800000000 ] - [ 0.0001436100000000, 0.0031312900000000, -0.0030917800000000 ] - [ 0.0022647000000000, 0.0110685500000000, 0.0069016900000000 ] - [ -0.0068560900000000, -0.0022788200000000, -0.0065440000000000 ] - [ -0.0202491100000000, -0.0221389200000000, -0.0138671700000000 ] - [ -0.0003226200000000, 0.0065144200000000, -0.0033950400000000 ] - [ -0.0206765700000000, 0.0218866300000000, -0.0138935400000000 ] - [ 0.0020817400000000, 0.0004810600000000, -0.0014390500000000 ] - [ -0.0036769000000000, 0.0010371700000000, -0.0016002700000000 ] - [ -0.0213935500000000, -0.0028656400000000, 0.0087962400000000 ] - [ 0.0041814200000000, 0.0037496100000000, -0.0087162300000000 ] - [ 0.0015644900000000, -0.0008599300000000, -0.0012057900000000 ] - [ 0.0013987100000000, 0.0003232300000000, -0.0062016300000000 ] - [ 0.0057848500000000, -0.0101974800000000, 0.0081262200000000 ] - [ 0.0004217600000000, -0.0007004500000000, -0.0061588900000000 ] - [ 0.0113161000000000, 0.0001856800000000, 0.0096990900000000 ] - [ 0.0022929100000000, -0.0018237200000000, 0.0035773900000000 ] - [ -0.0026286300000000, 0.0013509200000000, 0.0034966500000000 ] - [ -0.0001972500000000, -0.0001759100000000, 0.0007630500000000 ] - [ -0.0000101000000000, 0.0004004600000000, -0.0007479200000000 ] - [ -0.0001284500000000, -0.0012581500000000, 0.0010442100000000 ] - [ -0.0012111700000000, 0.0002145600000000, 0.0017859100000000 ] - [ -0.0000263700000000, 0.0002103200000000, 0.0007416000000000 ] - [ -0.0010064900000000, 0.0007481500000000, 0.0010660200000000 ] - [ 0.0011666200000000, 0.0005261800000000, 0.0010843200000000 ] - [ 0.0004608900000000, -0.0004457500000000, 0.0019076800000000 ] - [ -0.0005800000000000, 0.0012070100000000, 0.0014010400000000 ] - [ 0.0000517000000000, 0.0008972400000000, 0.0013022500000000 ] - [ 0.0007998700000000, 0.0009784000000000, 0.0018145500000000 ] - [ 0.0002109800000000, -0.0000716200000000, 0.0007821400000000 ] - [ 0.0004148400000000, -0.0011027000000000, 0.0018009800000000 ] - [ -0.0016811700000000, 0.0002302200000000, 0.0002621500000000 ] - [ 0.0007927400000000, 0.0004217500000000, 0.0007632200000000 ] - [ -0.0003377600000000, -0.0001344700000000, 0.0010694300000000 ] - [ -0.0008972800000000, -0.0004141100000000, 0.0020818500000000 ] - [ 0.0008857500000000, -0.0002482500000000, 0.0013974500000000 ] - [ -0.0001148600000000, -0.0006949200000000, 0.0014252300000000 ] - [ 0.0015596200000000, -0.0009072100000000, 0.0009899400000000 ] - [ -0.0005521900000000, 0.0004667600000000, 0.0014495400000000 ] - [ 0.0006583500000000, 0.0002432900000000, 0.0014214900000000 ] - [ 0.0006557200000000, -0.0003189400000000, 0.0012309500000000 ] - [ -0.0000464900000000, 0.0007276200000000, 0.0012267200000000 ] - [ -0.0003773300000000, 0.0001615400000000, 0.0009802100000000 ] - [ -0.0006030700000000, -0.0004106700000000, 0.0012314200000000 ] - [ -0.0001681800000000, -0.0011156000000000, 0.0009408700000000 ] - [ -0.0012085000000000, 0.0002636300000000, 0.0017047500000000 ] - [ 0.0003200000000000, 0.0002734600000000, 0.0008347200000000 ] - [ -0.0010650800000000, 0.0008110800000000, 0.0010147400000000 ] - [ 0.0011636900000000, 0.0004349500000000, 0.0010455800000000 ] - [ 0.0007873700000000, -0.0005441400000000, 0.0017202800000000 ] - [ -0.0000649400000000, 0.0010753900000000, 0.0009614900000000 ] - [ 0.0000898500000000, 0.0009428800000000, 0.0017177000000000 ] - [ 0.0007918100000000, 0.0008820400000000, 0.0016072000000000 ] - [ 0.0001275500000000, -0.0004149400000000, 0.0009654700000000 ] - [ 0.0004047200000000, -0.0012033300000000, 0.0017121100000000 ] - [ -0.0001392400000000, 0.0000232500000000, 0.0009953500000000 ] - [ 0.0000481300000000, -0.0001316900000000, 0.0009954200000000 ] - [ -0.0009001800000000, -0.0005997900000000, 0.0009618300000000 ] - [ -0.0008728300000000, -0.0004004000000000, 0.0017408700000000 ] - [ 0.0000830300000000, 0.0001066800000000, 0.0009980100000000 ] - [ 0.0001163500000000, -0.0003679700000000, 0.0007544100000000 ] - [ 0.0009546600000000, -0.0004769300000000, 0.0009613500000000 ] - [ -0.0003650900000000, -0.0001275900000000, 0.0008217200000000 ] - [ 0.0001462200000000, 0.0004333600000000, 0.0009046400000000 ]- atom: 42 displacement: [ -0.0050000000144975, 0.0086602540294743, 0.0000000000000000 ] forces: - [ -0.0002775800000000, 0.0006558300000000, -0.0011485900000000 ] - [ 0.0002447200000000, 0.0003059100000000, 0.0011454800000000 ] - [ 0.0012357600000000, -0.0023415600000000, -0.0021277400000000 ] - [ -0.0000723500000000, -0.0000082600000000, -0.0004279200000000 ] - [ 0.0000001400000000, 0.0000001200000000, -0.0004140800000000 ] - [ 0.0000164600000000, -0.0000057000000000, -0.0004552500000000 ] - [ -0.0223645800000000, 0.0158728000000000, 0.0122460100000000 ] - [ 0.0001800000000000, -0.0002641000000000, -0.0020512300000000 ] - [ -0.0000029500000000, 0.0000153400000000, -0.0016822900000000 ] - [ 0.0103010300000000, -0.0127368300000000, 0.0105295100000000 ] - [ 0.0026910800000000, 0.0017725400000000, 0.0008983200000000 ] - [ -0.0006509500000000, -0.0005310800000000, -0.0002890700000000 ] - [ 0.0000592000000000, 0.0000018000000000, -0.0012898500000000 ] - [ -0.0000136400000000, 0.0000023700000000, -0.0012929600000000 ] - [ -0.0047836800000000, 0.0009453500000000, 0.0002641400000000 ] - [ -0.0000544900000000, 0.0000699000000000, -0.0015204300000000 ] - [ 0.0011169600000000, -0.0003725700000000, -0.0007916700000000 ] - [ 0.0000069900000000, -0.0000049500000000, -0.0010706400000000 ] - [ -0.0554151500000000, 0.0396166200000000, 0.0449383000000000 ] - [ 0.0033007100000000, 0.0041026700000000, 0.0070032300000000 ] - [ 0.0050565200000000, -0.0103943700000000, 0.0145649300000000 ] - [ -0.0027254000000000, -0.0082527500000000, 0.0000042500000000 ] - [ 0.0089450100000000, 0.0033169500000000, 0.0039914500000000 ] - [ -0.0072835500000000, 0.0019190600000000, 0.0077277700000000 ] - [ 0.0006872800000000, 0.0004434700000000, -0.0012563600000000 ] - [ 0.0000184700000000, -0.0008148000000000, -0.0012569100000000 ] - [ -0.0006965000000000, 0.0003860100000000, -0.0012904000000000 ] - [ 0.0009433300000000, 0.0004130100000000, -0.0011711100000000 ] - [ -0.0005808900000000, -0.0006451500000000, -0.0008089000000000 ] - [ 0.0000153700000000, 0.0004716800000000, -0.0010062400000000 ] - [ 0.0009025700000000, 0.0000192900000000, -0.0011204800000000 ] - [ -0.0001666500000000, -0.0006484100000000, -0.0011072700000000 ] - [ -0.0007455700000000, 0.0005508300000000, -0.0010830500000000 ] - [ -0.0001145800000000, -0.0001633400000000, -0.0012276000000000 ] - [ 0.0001974100000000, -0.0000261000000000, -0.0012459600000000 ] - [ -0.0000664500000000, 0.0001746200000000, -0.0012457500000000 ] - [ 0.0003039300000000, -0.0007506800000000, -0.0018123500000000 ] - [ 0.0000543100000000, 0.0019778000000000, 0.0008076700000000 ] - [ -0.0288887900000000, 0.0135633300000000, 0.0216779400000000 ] - [ -0.0019516400000000, -0.0009475300000000, 0.0001106500000000 ] - [ 0.0042575800000000, -0.0090634100000000, -0.0003646700000000 ] - [ 0.1180039600000000, -0.0511213700000000, -0.0937612000000000 ] - [ -0.0042259500000000, 0.0007805900000000, -0.0017412500000000 ] - [ -0.0010036000000000, -0.0013143800000000, -0.0012350000000000 ] - [ -0.0032858400000000, 0.0020181100000000, -0.0027432200000000 ] - [ -0.0004049400000000, 0.0030457900000000, -0.0016292000000000 ] - [ -0.0016274400000000, 0.0067825000000000, 0.0077579700000000 ] - [ -0.0041215000000000, -0.0017676400000000, -0.0043342800000000 ] - [ -0.0025102100000000, -0.0088105700000000, -0.0059148300000000 ] - [ 0.0004821900000000, 0.0059483900000000, -0.0018727800000000 ] - [ -0.0179324000000000, 0.0132087300000000, -0.0074423200000000 ] - [ 0.0012605300000000, 0.0008001000000000, 0.0000334500000000 ] - [ -0.0014576800000000, -0.0001738200000000, -0.0005722900000000 ] - [ -0.0111101800000000, -0.0022837900000000, 0.0042736300000000 ] - [ 0.0002918400000000, 0.0067597800000000, -0.0084129500000000 ] - [ 0.0018915600000000, 0.0010205000000000, -0.0009777400000000 ] - [ 0.0006092300000000, -0.0001474900000000, -0.0021756600000000 ] - [ 0.0056311700000000, -0.0046015800000000, -0.0009634800000000 ] - [ 0.0002842200000000, -0.0004436900000000, -0.0037920900000000 ] - [ 0.0057559600000000, -0.0078790300000000, 0.0044748000000000 ] - [ 0.0002270600000000, -0.0008069800000000, 0.0003564200000000 ] - [ -0.0003653800000000, -0.0003778900000000, -0.0000034900000000 ] - [ -0.0002532300000000, 0.0000123700000000, 0.0002711700000000 ] - [ 0.0000474500000000, 0.0007185400000000, -0.0006214800000000 ] - [ -0.0000165700000000, -0.0010637400000000, 0.0005645700000000 ] - [ -0.0006613700000000, 0.0002608800000000, 0.0009737400000000 ] - [ 0.0001447700000000, 0.0002083100000000, 0.0002636300000000 ] - [ -0.0009022200000000, 0.0005557900000000, 0.0005697500000000 ] - [ 0.0009285200000000, 0.0005133200000000, 0.0005840200000000 ] - [ 0.0004433100000000, -0.0002950900000000, 0.0008630700000000 ] - [ -0.0006477600000000, 0.0003613900000000, 0.0007361600000000 ] - [ 0.0000287000000000, 0.0007170500000000, 0.0008532200000000 ] - [ 0.0005319600000000, 0.0004621200000000, 0.0009832200000000 ] - [ 0.0001002200000000, -0.0002340000000000, 0.0002669100000000 ] - [ 0.0000946100000000, -0.0006601800000000, 0.0009765000000000 ] - [ -0.0008873400000000, -0.0001317500000000, 0.0000410700000000 ] - [ 0.0005011900000000, -0.0000724300000000, 0.0004316200000000 ] - [ -0.0001189300000000, -0.0002577600000000, 0.0006726400000000 ] - [ -0.0005942000000000, -0.0003649300000000, 0.0009334900000000 ] - [ 0.0005015300000000, -0.0000698200000000, 0.0007867200000000 ] - [ 0.0000784700000000, -0.0004399700000000, 0.0006026700000000 ] - [ 0.0006824500000000, -0.0000256500000000, 0.0002440200000000 ] - [ -0.0004252100000000, 0.0001576500000000, 0.0006137800000000 ] - [ 0.0003429200000000, 0.0002856100000000, 0.0006002400000000 ] - [ 0.0002906200000000, -0.0002904200000000, 0.0004066300000000 ] - [ 0.0001103200000000, 0.0003948300000000, 0.0004000300000000 ] - [ -0.0003921000000000, 0.0001894400000000, 0.0004487200000000 ] - [ -0.0003961200000000, -0.0001083000000000, 0.0004083200000000 ] - [ -0.0000696000000000, -0.0008945000000000, 0.0004701600000000 ] - [ -0.0006140300000000, 0.0002856100000000, 0.0008850100000000 ] - [ 0.0002926000000000, 0.0001459100000000, 0.0003305000000000 ] - [ -0.0009245900000000, 0.0004470900000000, 0.0004932800000000 ] - [ 0.0009871500000000, 0.0005158700000000, 0.0006128900000000 ] - [ 0.0005896700000000, -0.0002937200000000, 0.0009669900000000 ] - [ -0.0002493100000000, 0.0006976000000000, 0.0003403500000000 ] - [ -0.0000326300000000, 0.0006528500000000, 0.0009817100000000 ] - [ 0.0005222000000000, 0.0003560100000000, 0.0008707900000000 ] - [ 0.0001117500000000, -0.0003443600000000, 0.0003233000000000 ] - [ 0.0000904700000000, -0.0006653700000000, 0.0008902400000000 ] - [ -0.0003865100000000, -0.0000112500000000, 0.0005100000000000 ] - [ 0.0001996500000000, -0.0003203500000000, 0.0005147900000000 ] - [ -0.0004754900000000, -0.0005654000000000, 0.0003418300000000 ] - [ -0.0005551500000000, -0.0003661700000000, 0.0009892100000000 ] - [ 0.0001749500000000, 0.0003364500000000, 0.0005138100000000 ] - [ 0.0001955500000000, -0.0004372900000000, 0.0004768100000000 ] - [ 0.0007224100000000, -0.0001254100000000, 0.0003400300000000 ] - [ -0.0002115700000000, 0.0000106500000000, 0.0003399500000000 ] - [ 0.0000284600000000, 0.0004905900000000, 0.0002585400000000 ]- atom: 42 displacement: [ 0.0050000000144975, -0.0086602540294743, 0.0000000000000000 ] forces: - [ 0.0002788700000000, -0.0006645200000000, 0.0012625000000000 ] - [ -0.0002562700000000, -0.0003128900000000, -0.0012832700000000 ] - [ -0.0012349800000000, 0.0023402300000000, 0.0022259700000000 ] - [ 0.0000732300000000, 0.0000087600000000, 0.0003119000000000 ] - [ -0.0000015900000000, -0.0000000500000000, 0.0005284000000000 ] - [ -0.0000170400000000, 0.0000059600000000, 0.0003384200000000 ] - [ 0.0229497000000000, -0.0157022900000000, -0.0128438800000000 ] - [ -0.0001784300000000, 0.0002651400000000, 0.0019495600000000 ] - [ -0.0000005200000000, -0.0000107500000000, 0.0015914200000000 ] - [ -0.0102715400000000, 0.0127304400000000, -0.0108964500000000 ] - [ -0.0027493600000000, -0.0018160000000000, -0.0008002200000000 ] - [ 0.0006470700000000, 0.0005315900000000, 0.0008553600000000 ] - [ -0.0000659800000000, 0.0000029600000000, 0.0009540600000000 ] - [ 0.0000144200000000, -0.0000004600000000, 0.0013881100000000 ] - [ 0.0048772400000000, -0.0009538400000000, 0.0003276100000000 ] - [ 0.0000560900000000, -0.0000687200000000, 0.0011890200000000 ] - [ -0.0011216700000000, 0.0003786300000000, 0.0008825600000000 ] - [ -0.0000068800000000, 0.0000031300000000, 0.0016565300000000 ] - [ 0.0565120300000000, -0.0399976500000000, -0.0449377300000000 ] - [ -0.0034572600000000, -0.0051434800000000, -0.0072750400000000 ] - [ -0.0058831900000000, 0.0111196500000000, -0.0149799400000000 ] - [ 0.0030249100000000, 0.0084813900000000, -0.0004049700000000 ] - [ -0.0092639700000000, -0.0031991800000000, -0.0043936000000000 ] - [ 0.0072729800000000, -0.0022034300000000, -0.0081130300000000 ] - [ 0.0003164200000000, -0.0000975500000000, 0.0010309400000000 ] - [ -0.0002032900000000, -0.0002270700000000, 0.0010309300000000 ] - [ -0.0000923700000000, 0.0002962600000000, 0.0010644500000000 ] - [ -0.0006724400000000, -0.0002118500000000, 0.0007525600000000 ] - [ 0.0002738200000000, 0.0007927500000000, 0.0003827900000000 ] - [ 0.0000311800000000, -0.0008272300000000, 0.0005939400000000 ] - [ 0.0000976700000000, 0.0003206200000000, 0.0008971300000000 ] - [ -0.0000109900000000, -0.0003862100000000, 0.0008810600000000 ] - [ -0.0000254500000000, 0.0001197500000000, 0.0008541500000000 ] - [ 0.0003854600000000, 0.0003552500000000, 0.0008421000000000 ] - [ -0.0004885100000000, 0.0001541600000000, 0.0008590000000000 ] - [ 0.0001054600000000, -0.0005072100000000, 0.0008554300000000 ] - [ -0.0003088000000000, 0.0002153000000000, 0.0012840700000000 ] - [ 0.0004153000000000, -0.0017353700000000, -0.0013407300000000 ] - [ 0.0278318400000000, -0.0131050100000000, -0.0214772300000000 ] - [ 0.0015059300000000, 0.0012283300000000, -0.0006416100000000 ] - [ -0.0039713600000000, 0.0073521900000000, 0.0006033900000000 ] - [ -0.1188974700000000, 0.0520052000000000, 0.0944330400000000 ] - [ 0.0047113900000000, -0.0004156000000000, 0.0015156000000000 ] - [ -0.0006419200000000, 0.0020930200000000, 0.0015883500000000 ] - [ 0.0048101600000000, -0.0009808100000000, 0.0031255400000000 ] - [ 0.0012620600000000, -0.0032378700000000, 0.0023800600000000 ] - [ 0.0008264900000000, -0.0060581400000000, -0.0081898000000000 ] - [ 0.0038482400000000, 0.0026053800000000, 0.0050848200000000 ] - [ 0.0030393900000000, 0.0087744400000000, 0.0064255200000000 ] - [ -0.0004193300000000, -0.0065820600000000, 0.0016605400000000 ] - [ 0.0179005100000000, -0.0138877100000000, 0.0079992100000000 ] - [ -0.0024451300000000, -0.0008849700000000, 0.0002195300000000 ] - [ 0.0021182400000000, -0.0007872800000000, 0.0008242200000000 ] - [ 0.0109255300000000, 0.0012041600000000, -0.0046680600000000 ] - [ -0.0009194700000000, -0.0072703300000000, 0.0090654100000000 ] - [ -0.0013754500000000, 0.0000284000000000, 0.0012211700000000 ] - [ -0.0001772000000000, -0.0003568700000000, 0.0020606100000000 ] - [ -0.0046011800000000, 0.0048964200000000, 0.0006968600000000 ] - [ -0.0009561900000000, 0.0003298900000000, 0.0037086000000000 ] - [ -0.0055132900000000, 0.0084930100000000, -0.0047749700000000 ] - [ -0.0002314600000000, 0.0002860100000000, -0.0008750000000000 ] - [ 0.0008397300000000, 0.0006344100000000, -0.0005148600000000 ] - [ -0.0003209300000000, 0.0002502900000000, -0.0005105500000000 ] - [ -0.0005041300000000, -0.0004574700000000, 0.0001206300000000 ] - [ 0.0001801900000000, -0.0007317200000000, -0.0002226000000000 ] - [ 0.0004106600000000, 0.0002852200000000, -0.0005021600000000 ] - [ 0.0003686300000000, 0.0001568500000000, -0.0005031800000000 ] - [ -0.0007415100000000, 0.0002084100000000, -0.0002285400000000 ] - [ 0.0005372200000000, 0.0005293200000000, -0.0002437700000000 ] - [ 0.0004211600000000, 0.0001048600000000, -0.0001088700000000 ] - [ -0.0001612300000000, 0.0004023700000000, -0.0010636600000000 ] - [ -0.0002963200000000, 0.0001217900000000, -0.0000989800000000 ] - [ 0.0000609500000000, -0.0005232000000000, -0.0005159600000000 ] - [ -0.0000402700000000, -0.0003949100000000, -0.0005063700000000 ] - [ -0.0004449300000000, 0.0001758500000000, -0.0005113800000000 ] - [ -0.0002863500000000, 0.0000482500000000, 0.0002071400000000 ] - [ 0.0001552200000000, -0.0009066900000000, -0.0001899100000000 ] - [ -0.0001388300000000, -0.0008284200000000, -0.0010014400000000 ] - [ 0.0000017000000000, -0.0002875200000000, -0.0001831400000000 ] - [ 0.0000048800000000, 0.0011357500000000, -0.0005513400000000 ] - [ 0.0003763200000000, -0.0000453000000000, -0.0007564200000000 ] - [ 0.0003723900000000, 0.0003588600000000, -0.0005762900000000 ] - [ -0.0002247400000000, -0.0003071700000000, -0.0007639800000000 ] - [ -0.0001519800000000, 0.0003523000000000, -0.0007563300000000 ] - [ -0.0003060400000000, -0.0002415500000000, -0.0009367900000000 ] - [ 0.0003619200000000, -0.0001462200000000, -0.0009349400000000 ] - [ -0.0001829700000000, 0.0000759900000000, -0.0006897100000000 ] - [ -0.0000559700000000, 0.0003878400000000, -0.0009398600000000 ] - [ 0.0002387500000000, -0.0008962100000000, -0.0001277400000000 ] - [ 0.0003673600000000, 0.0002602200000000, -0.0004168400000000 ] - [ 0.0002114600000000, 0.0002189700000000, -0.0005689600000000 ] - [ -0.0007158500000000, 0.0003083000000000, -0.0001525600000000 ] - [ 0.0004669300000000, 0.0005284500000000, -0.0002718800000000 ] - [ 0.0002674500000000, 0.0001179800000000, -0.0002318400000000 ] - [ -0.0005577200000000, 0.0000712800000000, -0.0006750800000000 ] - [ -0.0002438200000000, 0.0001773600000000, -0.0002465500000000 ] - [ 0.0000701300000000, -0.0004186700000000, -0.0004062100000000 ] - [ -0.0000537000000000, -0.0002807700000000, -0.0005619400000000 ] - [ -0.0004438800000000, 0.0001839300000000, -0.0004292100000000 ] - [ -0.0007883300000000, -0.0000719800000000, -0.0002656400000000 ] - [ 0.0004555900000000, -0.0006428300000000, -0.0002712800000000 ] - [ 0.0002109200000000, -0.0005191700000000, -0.0006767300000000 ] - [ -0.0000289700000000, -0.0002888600000000, -0.0002506100000000 ] - [ 0.0003368000000000, 0.0007194100000000, -0.0002722000000000 ] - [ 0.0002561200000000, -0.0000511500000000, -0.0006267400000000 ] - [ 0.0003414200000000, 0.0004467400000000, -0.0006757000000000 ] - [ -0.0004436900000000, -0.0001538200000000, -0.0004824100000000 ] - [ 0.0001666100000000, 0.0001465800000000, -0.0004135400000000 ]- atom: 42 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0001031800000000, -0.0000397300000000, -0.0027668200000000 ] - [ 0.0008004600000000, 0.0012377300000000, 0.0049208900000000 ] - [ 0.0013113800000000, -0.0019779300000000, -0.0005182200000000 ] - [ -0.0003026700000000, -0.0000595600000000, -0.0015796000000000 ] - [ 0.0000048700000000, 0.0000018000000000, -0.0015059400000000 ] - [ 0.0000034000000000, 0.0000032400000000, -0.0013997900000000 ] - [ -0.0073437400000000, 0.0016539500000000, 0.0301932700000000 ] - [ 0.0003374800000000, -0.0000817500000000, -0.0052446600000000 ] - [ -0.0000207900000000, 0.0000065600000000, -0.0055057200000000 ] - [ 0.0053072000000000, -0.0084219500000000, 0.0185810000000000 ] - [ 0.0066194300000000, 0.0089408300000000, -0.0010393900000000 ] - [ -0.0002545900000000, -0.0000670900000000, -0.0019649800000000 ] - [ 0.0003628200000000, -0.0000028800000000, -0.0041240900000000 ] - [ -0.0000523500000000, -0.0000072800000000, -0.0044405200000000 ] - [ -0.0200865800000000, -0.0002818200000000, -0.0063723200000000 ] - [ -0.0000072500000000, -0.0000177200000000, -0.0044419000000000 ] - [ 0.0001298800000000, 0.0000599300000000, -0.0037554900000000 ] - [ 0.0000093200000000, -0.0000121400000000, -0.0041873200000000 ] - [ -0.1209341200000000, -0.0055731400000000, 0.2153993500000000 ] - [ 0.0016652500000000, 0.0081653000000000, 0.0179372300000000 ] - [ 0.0057089700000000, -0.0057954000000000, 0.0179463300000000 ] - [ -0.0039932600000000, -0.0134314400000000, 0.0028613700000000 ] - [ 0.0120449400000000, 0.0031677600000000, 0.0054047100000000 ] - [ -0.0093895500000000, 0.0112263400000000, 0.0037073400000000 ] - [ 0.0008514300000000, 0.0010335300000000, -0.0037420700000000 ] - [ 0.0003444100000000, -0.0012485000000000, -0.0037631800000000 ] - [ -0.0012031500000000, 0.0002559300000000, -0.0038640000000000 ] - [ 0.0006979000000000, -0.0006887800000000, -0.0029288300000000 ] - [ 0.0007226700000000, -0.0036043100000000, -0.0016720100000000 ] - [ 0.0001600400000000, 0.0042463500000000, -0.0036860800000000 ] - [ 0.0013292300000000, 0.0005745100000000, -0.0034977300000000 ] - [ -0.0000865200000000, -0.0014205000000000, -0.0035647200000000 ] - [ -0.0011523100000000, 0.0008244600000000, -0.0035777400000000 ] - [ -0.0006708000000000, -0.0007750600000000, -0.0036457200000000 ] - [ 0.0010125600000000, -0.0001927800000000, -0.0036469900000000 ] - [ -0.0003264300000000, 0.0009659900000000, -0.0036403700000000 ] - [ 0.0018560600000000, -0.0014262600000000, 0.0004671100000000 ] - [ 0.0003812700000000, 0.0027212000000000, 0.0010151300000000 ] - [ -0.0222188200000000, 0.0143806000000000, 0.0029727300000000 ] - [ -0.0027537900000000, -0.0015649200000000, 0.0009128100000000 ] - [ -0.0220129400000000, -0.0177212900000000, 0.0077913100000000 ] - [ 0.2149356100000000, 0.0135165400000000, -0.3169475900000000 ] - [ -0.0031359000000000, -0.0001558800000000, -0.0043508300000000 ] - [ 0.0000081900000000, -0.0052881600000000, -0.0039647000000000 ] - [ -0.0060119300000000, 0.0006908600000000, -0.0043848300000000 ] - [ -0.0002665700000000, 0.0037308600000000, -0.0045363600000000 ] - [ -0.0034553500000000, 0.0131043900000000, 0.0095055700000000 ] - [ -0.0041996800000000, -0.0025724400000000, -0.0062765900000000 ] - [ -0.0074907600000000, -0.0120331800000000, -0.0158853000000000 ] - [ -0.0006601300000000, 0.0029060800000000, -0.0040341700000000 ] - [ -0.0082672900000000, 0.0115468500000000, -0.0158873700000000 ] - [ 0.0017121100000000, 0.0015575800000000, -0.0006983100000000 ] - [ -0.0019001100000000, 0.0005413800000000, -0.0010966300000000 ] - [ -0.0167358300000000, -0.0023994200000000, 0.0071500700000000 ] - [ 0.0051990800000000, -0.0031534700000000, -0.0060145500000000 ] - [ 0.0008857100000000, -0.0017489300000000, -0.0011069000000000 ] - [ 0.0032716000000000, 0.0023828600000000, -0.0066981100000000 ] - [ -0.0007570600000000, -0.0133187400000000, 0.0127985300000000 ] - [ 0.0023344700000000, -0.0028629100000000, -0.0067766700000000 ] - [ -0.0030502400000000, -0.0006655200000000, 0.0475907300000000 ] - [ 0.0002519200000000, -0.0024502800000000, 0.0015634200000000 ] - [ -0.0015718200000000, 0.0005484800000000, 0.0016611100000000 ] - [ -0.0001210100000000, -0.0003157800000000, 0.0011883100000000 ] - [ -0.0000473700000000, 0.0010994100000000, -0.0010916000000000 ] - [ -0.0001721600000000, -0.0013868100000000, 0.0014992800000000 ] - [ -0.0016033300000000, 0.0001743200000000, 0.0024040500000000 ] - [ -0.0001627300000000, 0.0002385200000000, 0.0011453800000000 ] - [ -0.0010584500000000, 0.0008604900000000, 0.0015290100000000 ] - [ 0.0012884000000000, 0.0005338700000000, 0.0015855400000000 ] - [ 0.0006278000000000, -0.0005318100000000, 0.0019675700000000 ] - [ -0.0004355800000000, 0.0012127900000000, 0.0012424800000000 ] - [ 0.0000732300000000, 0.0015912900000000, 0.0019253800000000 ] - [ 0.0009591000000000, 0.0013065800000000, 0.0024402800000000 ] - [ 0.0002523800000000, 0.0000262200000000, 0.0011706300000000 ] - [ 0.0005649500000000, -0.0014102200000000, 0.0024355300000000 ] - [ -0.0003837500000000, 0.0000730600000000, 0.0004829400000000 ] - [ 0.0007380300000000, 0.0021903500000000, 0.0019451800000000 ] - [ -0.0011622300000000, 0.0001956800000000, 0.0013561500000000 ] - [ -0.0014803700000000, -0.0007357200000000, 0.0025418300000000 ] - [ 0.0006334700000000, -0.0024891100000000, 0.0029995500000000 ] - [ -0.0002755900000000, -0.0009266000000000, 0.0021323600000000 ] - [ 0.0015185000000000, -0.0016073100000000, 0.0009838000000000 ] - [ -0.0006800400000000, 0.0007267300000000, 0.0021675500000000 ] - [ 0.0009467000000000, 0.0002161900000000, 0.0021254000000000 ] - [ 0.0009863400000000, -0.0003456200000000, 0.0019523700000000 ] - [ -0.0001893200000000, 0.0010308500000000, 0.0019605300000000 ] - [ -0.0003455600000000, -0.0000013900000000, 0.0013435100000000 ] - [ -0.0007914000000000, -0.0006871100000000, 0.0019633600000000 ] - [ -0.0002601400000000, -0.0013375700000000, 0.0013967600000000 ] - [ -0.0016802600000000, 0.0002279700000000, 0.0024046200000000 ] - [ 0.0001356900000000, 0.0002940100000000, 0.0013309200000000 ] - [ -0.0010641200000000, 0.0008974500000000, 0.0014374800000000 ] - [ 0.0012988500000000, 0.0004629600000000, 0.0014404000000000 ] - [ 0.0009435700000000, -0.0007516500000000, 0.0023594100000000 ] - [ 0.0001015000000000, 0.0014206800000000, 0.0015155800000000 ] - [ 0.0001789800000000, 0.0011892800000000, 0.0023551800000000 ] - [ 0.0010415500000000, 0.0013573900000000, 0.0024376500000000 ] - [ 0.0001631100000000, -0.0002629400000000, 0.0013700400000000 ] - [ 0.0006596100000000, -0.0015908700000000, 0.0024388800000000 ] - [ 0.0000715900000000, 0.0000588300000000, 0.0014166200000000 ] - [ -0.0000877200000000, 0.0000345600000000, 0.0014144900000000 ] - [ -0.0012821100000000, -0.0006249400000000, 0.0015171500000000 ] - [ -0.0011234800000000, -0.0004377900000000, 0.0023582700000000 ] - [ 0.0000110000000000, -0.0000925100000000, 0.0014152000000000 ] - [ 0.0000699900000000, -0.0005643700000000, 0.0016445300000000 ] - [ 0.0011755700000000, -0.0007920400000000, 0.0015133700000000 ] - [ -0.0005268700000000, 0.0002105100000000, 0.0016414800000000 ] - [ 0.0004431700000000, 0.0003314500000000, 0.0015506700000000 ]- atom: 42 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0001030900000000, 0.0000411000000000, 0.0028839100000000 ] - [ -0.0008078100000000, -0.0012413900000000, -0.0050533200000000 ] - [ -0.0013120100000000, 0.0019804700000000, 0.0006422200000000 ] - [ 0.0002995100000000, 0.0000596100000000, 0.0014572000000000 ] - [ -0.0000063000000000, -0.0000019100000000, 0.0016161000000000 ] - [ -0.0000042300000000, -0.0000030100000000, 0.0012794500000000 ] - [ 0.0089540400000000, -0.0017093400000000, -0.0309549100000000 ] - [ -0.0003326200000000, 0.0000860800000000, 0.0051384200000000 ] - [ 0.0000179700000000, -0.0000030400000000, 0.0054015600000000 ] - [ -0.0053423300000000, 0.0084430100000000, -0.0189505500000000 ] - [ -0.0066249500000000, -0.0089485600000000, 0.0011715000000000 ] - [ 0.0002490200000000, 0.0000617600000000, 0.0025110700000000 ] - [ -0.0003647700000000, 0.0000057700000000, 0.0037806600000000 ] - [ 0.0000524600000000, 0.0000090500000000, 0.0045266700000000 ] - [ 0.0199477100000000, 0.0002775800000000, 0.0069288500000000 ] - [ 0.0000091600000000, 0.0000201900000000, 0.0041033600000000 ] - [ -0.0001357800000000, -0.0000540500000000, 0.0038316800000000 ] - [ -0.0000091300000000, 0.0000100800000000, 0.0047627300000000 ] - [ 0.1122380800000000, 0.0054039700000000, -0.2054108400000000 ] - [ -0.0018204800000000, -0.0091678200000000, -0.0180949400000000 ] - [ -0.0064656600000000, 0.0064378600000000, -0.0181104200000000 ] - [ 0.0043097400000000, 0.0136890100000000, -0.0033266600000000 ] - [ -0.0124158200000000, -0.0030597400000000, -0.0058565200000000 ] - [ 0.0095283300000000, -0.0116007100000000, -0.0042198100000000 ] - [ 0.0001485400000000, -0.0006864600000000, 0.0035139800000000 ] - [ -0.0005280400000000, 0.0002088300000000, 0.0035342800000000 ] - [ 0.0004163400000000, 0.0004232700000000, 0.0036339300000000 ] - [ -0.0004279500000000, 0.0008853900000000, 0.0025202300000000 ] - [ -0.0010137100000000, 0.0037086300000000, 0.0012555700000000 ] - [ -0.0001088500000000, -0.0045495300000000, 0.0032642500000000 ] - [ -0.0003311100000000, -0.0002316100000000, 0.0032672900000000 ] - [ -0.0000863500000000, 0.0003867700000000, 0.0033303700000000 ] - [ 0.0003773200000000, -0.0001590000000000, 0.0033449000000000 ] - [ 0.0009399900000000, 0.0009596100000000, 0.0032496900000000 ] - [ -0.0012966700000000, 0.0003228000000000, 0.0032492600000000 ] - [ 0.0003599600000000, -0.0012936000000000, 0.0032396100000000 ] - [ -0.0018806500000000, 0.0009019400000000, -0.0009785900000000 ] - [ 0.0000846600000000, -0.0024859700000000, -0.0015408100000000 ] - [ 0.0214756600000000, -0.0140322400000000, -0.0032608000000000 ] - [ 0.0023163600000000, 0.0018478100000000, -0.0014362000000000 ] - [ 0.0220751800000000, 0.0158763100000000, -0.0075667700000000 ] - [ -0.2066115400000000, -0.0124478700000000, 0.3071752600000000 ] - [ 0.0036417700000000, 0.0005194200000000, 0.0041096500000000 ] - [ -0.0016533500000000, 0.0060493800000000, 0.0042939000000000 ] - [ 0.0074650700000000, 0.0003542700000000, 0.0047074900000000 ] - [ 0.0011294900000000, -0.0039293000000000, 0.0053114700000000 ] - [ 0.0026886400000000, -0.0125025700000000, -0.0099694100000000 ] - [ 0.0039413700000000, 0.0034213900000000, 0.0070493000000000 ] - [ 0.0079527100000000, 0.0119238000000000, 0.0164058800000000 ] - [ 0.0007204000000000, -0.0035355400000000, 0.0037995300000000 ] - [ 0.0077975300000000, -0.0119804600000000, 0.0164043000000000 ] - [ -0.0028987500000000, -0.0016456400000000, 0.0009644600000000 ] - [ 0.0025681200000000, -0.0015026900000000, 0.0013593800000000 ] - [ 0.0165776600000000, 0.0013282300000000, -0.0075997500000000 ] - [ -0.0057940200000000, 0.0024787500000000, 0.0068257100000000 ] - [ -0.0003881500000000, 0.0028156800000000, 0.0013712500000000 ] - [ -0.0028074000000000, -0.0028569300000000, 0.0065330700000000 ] - [ 0.0018687000000000, 0.0138529900000000, -0.0133716300000000 ] - [ -0.0029744500000000, 0.0027088800000000, 0.0066206400000000 ] - [ 0.0031305000000000, 0.0012580400000000, -0.0465283800000000 ] - [ -0.0002705000000000, 0.0019090300000000, -0.0020885300000000 ] - [ 0.0020428300000000, -0.0002974100000000, -0.0021935400000000 ] - [ -0.0004556000000000, 0.0005813500000000, -0.0014237700000000 ] - [ -0.0004059700000000, -0.0008184800000000, 0.0005647200000000 ] - [ 0.0003339600000000, -0.0004129600000000, -0.0011553300000000 ] - [ 0.0013471400000000, 0.0003709800000000, -0.0019277000000000 ] - [ 0.0006805100000000, 0.0001269700000000, -0.0013815400000000 ] - [ -0.0005875600000000, -0.0000924100000000, -0.0011855300000000 ] - [ 0.0001817200000000, 0.0005090800000000, -0.0012423500000000 ] - [ 0.0002351300000000, 0.0003404300000000, -0.0012162500000000 ] - [ -0.0003740100000000, -0.0004484700000000, -0.0015805500000000 ] - [ -0.0003401600000000, -0.0007428800000000, -0.0011697400000000 ] - [ -0.0003635400000000, -0.0013628100000000, -0.0019677000000000 ] - [ -0.0001950300000000, -0.0006591200000000, -0.0014065400000000 ] - [ -0.0009130400000000, 0.0009215400000000, -0.0019654900000000 ] - [ -0.0007850900000000, -0.0001593000000000, -0.0002393500000000 ] - [ -0.0000743500000000, -0.0031356900000000, -0.0016841200000000 ] - [ 0.0008957900000000, -0.0012746800000000, -0.0016908400000000 ] - [ 0.0008778300000000, 0.0000800600000000, -0.0017838500000000 ] - [ -0.0001230800000000, 0.0035192900000000, -0.0027339300000000 ] - [ 0.0007291500000000, 0.0004385800000000, -0.0022799200000000 ] - [ -0.0004571100000000, 0.0019246400000000, -0.0013222400000000 ] - [ 0.0000282400000000, -0.0008736800000000, -0.0023112100000000 ] - [ -0.0007527400000000, 0.0004219200000000, -0.0022750100000000 ] - [ -0.0010021200000000, -0.0001870500000000, -0.0024794200000000 ] - [ 0.0006620200000000, -0.0007820000000000, -0.0024921000000000 ] - [ -0.0002311900000000, 0.0002682400000000, -0.0015801900000000 ] - [ 0.0003389200000000, 0.0009669300000000, -0.0024916200000000 ] - [ 0.0004265400000000, -0.0004580900000000, -0.0010510800000000 ] - [ 0.0014250300000000, 0.0003172000000000, -0.0019272800000000 ] - [ 0.0003699300000000, 0.0000703500000000, -0.0015653400000000 ] - [ -0.0005794600000000, -0.0001372700000000, -0.0010935900000000 ] - [ 0.0001620400000000, 0.0005816800000000, -0.0010964500000000 ] - [ -0.0000859600000000, 0.0005719600000000, -0.0016204000000000 ] - [ -0.0009070900000000, -0.0006492000000000, -0.0018501200000000 ] - [ -0.0004524700000000, -0.0003566000000000, -0.0016159300000000 ] - [ -0.0004455300000000, -0.0014123000000000, -0.0019633100000000 ] - [ -0.0001053200000000, -0.0003642900000000, -0.0016069200000000 ] - [ -0.0010085100000000, 0.0011029200000000, -0.0019694200000000 ] - [ -0.0012465100000000, -0.0001431100000000, -0.0011684900000000 ] - [ 0.0007436500000000, -0.0009972100000000, -0.0011672600000000 ] - [ 0.0010140400000000, -0.0004599200000000, -0.0018519100000000 ] - [ 0.0005358600000000, -0.0002161100000000, -0.0016157500000000 ] - [ 0.0004998800000000, 0.0011487300000000, -0.0011698800000000 ] - [ 0.0003790000000000, 0.0000716900000000, -0.0017834000000000 ] - [ -0.0001099100000000, 0.0011102400000000, -0.0018489900000000 ] - [ -0.0001298800000000, -0.0003469900000000, -0.0017747400000000 ] - [ -0.0002435200000000, 0.0003054600000000, -0.0016958200000000 ]- atom: 46 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000538900000000, 0.0004501700000000, 0.0004109700000000 ] - [ -0.0030845400000000, 0.0003828600000000, 0.0021819700000000 ] - [ 0.0003832900000000, 0.0005259000000000, -0.0006928600000000 ] - [ 0.0000093000000000, -0.0000070400000000, -0.0003569200000000 ] - [ -0.0000029800000000, 0.0000003900000000, -0.0002960700000000 ] - [ 0.0000266700000000, 0.0000266300000000, -0.0003141800000000 ] - [ 0.0015838500000000, -0.0011875400000000, 0.0044201000000000 ] - [ 0.0000674200000000, 0.0000611800000000, -0.0013685000000000 ] - [ -0.0003729500000000, 0.0000266000000000, -0.0014160900000000 ] - [ 0.0232698900000000, -0.0338891400000000, 0.0233052900000000 ] - [ -0.0016366300000000, 0.0003857100000000, 0.0004025800000000 ] - [ -0.0117129400000000, -0.0006480600000000, -0.0060139500000000 ] - [ -0.0000373200000000, 0.0000046200000000, -0.0010218600000000 ] - [ 0.0000042900000000, -0.0000024400000000, -0.0009371900000000 ] - [ 0.0005271800000000, -0.0008253000000000, -0.0007789400000000 ] - [ 0.0000722100000000, -0.0001297900000000, -0.0009276200000000 ] - [ 0.0017370600000000, -0.0005744000000000, 0.0019042200000000 ] - [ 0.0000035600000000, 0.0000019100000000, -0.0006930000000000 ] - [ 0.0000088000000000, 0.0028925700000000, 0.0007412400000000 ] - [ 0.0010931700000000, -0.0029368200000000, 0.0022911200000000 ] - [ -0.0042958000000000, -0.0075314000000000, -0.0005453000000000 ] - [ 0.0642976700000000, -0.0431527700000000, 0.0688509000000000 ] - [ -0.0010502000000000, 0.0035778100000000, 0.0040854900000000 ] - [ -0.0084958300000000, -0.0031359100000000, 0.0111226800000000 ] - [ 0.0006177300000000, 0.0003464500000000, -0.0009425300000000 ] - [ 0.0000055600000000, -0.0007096400000000, -0.0009500600000000 ] - [ -0.0006102800000000, 0.0003519700000000, -0.0009428900000000 ] - [ -0.0001727500000000, -0.0000377900000000, -0.0008470300000000 ] - [ -0.0001266200000000, 0.0000617200000000, -0.0009467700000000 ] - [ 0.0003925600000000, 0.0000166300000000, -0.0006302000000000 ] - [ 0.0004124800000000, 0.0001097100000000, -0.0004435300000000 ] - [ 0.0007221600000000, 0.0006294700000000, -0.0024215100000000 ] - [ 0.0001853300000000, -0.0006746100000000, -0.0023789400000000 ] - [ -0.0000796300000000, -0.0001364100000000, -0.0009347300000000 ] - [ 0.0001877200000000, 0.0000169800000000, -0.0009325300000000 ] - [ -0.0001053700000000, 0.0001200200000000, -0.0009197400000000 ] - [ -0.0002957400000000, -0.0001528000000000, -0.0030810000000000 ] - [ -0.0095992000000000, 0.0011249400000000, -0.0021421100000000 ] - [ 0.0004257800000000, -0.0016195300000000, 0.0004742500000000 ] - [ -0.0002201600000000, 0.0000301600000000, -0.0013196900000000 ] - [ 0.0003022000000000, -0.0019837800000000, -0.0007768000000000 ] - [ 0.0001626800000000, -0.0005291200000000, -0.0004643300000000 ] - [ -0.0033566600000000, 0.0008886500000000, -0.0005834600000000 ] - [ -0.0002742300000000, 0.0010959300000000, -0.0012882000000000 ] - [ 0.0031010700000000, 0.0011673700000000, 0.0001440000000000 ] - [ -0.1054877000000000, 0.1029395000000000, -0.1273352500000000 ] - [ -0.0095666100000000, -0.0012160100000000, -0.0007085000000000 ] - [ -0.0035173000000000, -0.0039450500000000, -0.0038995400000000 ] - [ 0.0003902900000000, 0.0010939200000000, -0.0003287700000000 ] - [ 0.0046282400000000, 0.0036219900000000, 0.0068694100000000 ] - [ 0.0004210300000000, 0.0068193700000000, -0.0000734000000000 ] - [ 0.0354939100000000, -0.0189009400000000, 0.0313968500000000 ] - [ 0.0040618100000000, -0.0049782400000000, -0.0014377200000000 ] - [ 0.0006174900000000, -0.0008920300000000, -0.0015348800000000 ] - [ 0.0123879300000000, -0.0052443100000000, -0.0064338600000000 ] - [ 0.0052731700000000, 0.0049159600000000, -0.0018514500000000 ] - [ -0.0001238300000000, 0.0001368400000000, -0.0003084800000000 ] - [ 0.0026176200000000, -0.0006230900000000, -0.0022067400000000 ] - [ -0.0005942300000000, 0.0020602900000000, 0.0013569400000000 ] - [ -0.0000290200000000, 0.0000797200000000, -0.0002048400000000 ] - [ -0.0001336500000000, -0.0002960400000000, -0.0003028800000000 ] - [ 0.0003420000000000, 0.0002725300000000, 0.0000859200000000 ] - [ -0.0002544700000000, 0.0000482600000000, 0.0001671700000000 ] - [ -0.0000064000000000, 0.0000181900000000, 0.0000508700000000 ] - [ 0.0000124100000000, -0.0010074500000000, 0.0004677600000000 ] - [ -0.0004904300000000, 0.0002510500000000, 0.0007568400000000 ] - [ 0.0001673100000000, 0.0001980200000000, 0.0001705400000000 ] - [ -0.0008863700000000, 0.0004985100000000, 0.0004693100000000 ] - [ 0.0008628700000000, 0.0005181800000000, 0.0004652200000000 ] - [ 0.0005603100000000, -0.0002521100000000, 0.0007854900000000 ] - [ -0.0003114700000000, 0.0005647000000000, 0.0001835700000000 ] - [ -0.0000421000000000, 0.0005821600000000, 0.0007917600000000 ] - [ 0.0004521100000000, 0.0002828800000000, 0.0007518800000000 ] - [ 0.0000909700000000, -0.0002460900000000, 0.0001681400000000 ] - [ 0.0000164700000000, -0.0005467500000000, 0.0007497700000000 ] - [ -0.0003352700000000, 0.0000430400000000, 0.0004690400000000 ] - [ 0.0002842100000000, -0.0004282100000000, 0.0003419000000000 ] - [ -0.0002617800000000, -0.0005908300000000, 0.0003210000000000 ] - [ -0.0005014000000000, -0.0003481200000000, 0.0007096600000000 ] - [ 0.0000391200000000, 0.0003584600000000, 0.0003921300000000 ] - [ 0.0001166100000000, -0.0003901500000000, 0.0004192700000000 ] - [ 0.0004877000000000, 0.0000301400000000, 0.0002617900000000 ] - [ -0.0003961000000000, 0.0000924300000000, 0.0004177600000000 ] - [ 0.0002758300000000, 0.0002975300000000, 0.0004160300000000 ] - [ 0.0002195900000000, -0.0002896200000000, 0.0002201800000000 ] - [ 0.0001433300000000, 0.0003318800000000, 0.0002227000000000 ] - [ -0.0003383600000000, 0.0001578000000000, -0.0000209700000000 ] - [ -0.0003618600000000, -0.0000446600000000, 0.0002218200000000 ] - [ -0.0000674200000000, -0.0007480000000000, 0.0002360700000000 ] - [ -0.0001637100000000, 0.0002686700000000, 0.0004408300000000 ] - [ -0.0002523700000000, -0.0000546300000000, 0.0002209600000000 ] - [ -0.0007343700000000, -0.0005084200000000, 0.0004358700000000 ] - [ 0.0002976300000000, 0.0006387400000000, 0.0004093600000000 ] - [ 0.0005575900000000, -0.0002343000000000, 0.0008039600000000 ] - [ -0.0002522800000000, 0.0006342300000000, 0.0002293200000000 ] - [ -0.0001109900000000, 0.0005698200000000, 0.0007603700000000 ] - [ 0.0004768800000000, 0.0002474000000000, 0.0011476100000000 ] - [ 0.0002049300000000, 0.0004661600000000, 0.0003042600000000 ] - [ 0.0000254800000000, -0.0005738900000000, 0.0011829000000000 ] - [ -0.0004227900000000, -0.0000198600000000, 0.0003961700000000 ] - [ 0.0002167600000000, -0.0003575300000000, 0.0003964600000000 ] - [ -0.0004222800000000, -0.0005646000000000, 0.0002378500000000 ] - [ -0.0004567800000000, -0.0003416200000000, 0.0007682900000000 ] - [ 0.0002043700000000, 0.0003812600000000, 0.0003981000000000 ] - [ -0.0000877300000000, -0.0026948300000000, 0.0031413800000000 ] - [ 0.0007183000000000, -0.0000717400000000, 0.0002205700000000 ] - [ -0.0006881900000000, 0.0020770100000000, 0.0029416600000000 ] - [ 0.0005092400000000, 0.0004804200000000, -0.0001517100000000 ]- atom: 46 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000457800000000, -0.0004317500000000, -0.0003148700000000 ] - [ 0.0030777100000000, -0.0003860800000000, -0.0022967900000000 ] - [ -0.0003836900000000, -0.0005232100000000, 0.0007928500000000 ] - [ -0.0000104300000000, 0.0000071000000000, 0.0002357400000000 ] - [ 0.0000008600000000, -0.0000004500000000, 0.0004010000000000 ] - [ -0.0000269900000000, -0.0000279800000000, 0.0001921800000000 ] - [ -0.0015250000000000, 0.0012865900000000, -0.0043908700000000 ] - [ -0.0000665900000000, -0.0000576500000000, 0.0012494900000000 ] - [ 0.0003711400000000, -0.0000197100000000, 0.0013004500000000 ] - [ -0.0233999600000000, 0.0331621200000000, -0.0231037500000000 ] - [ 0.0016240300000000, -0.0003846200000000, -0.0003284000000000 ] - [ 0.0116883400000000, 0.0006493100000000, 0.0065854400000000 ] - [ 0.0000326300000000, 0.0000000200000000, 0.0006642000000000 ] - [ -0.0000041500000000, 0.0000042600000000, 0.0010114300000000 ] - [ -0.0005204300000000, 0.0008195400000000, 0.0013333500000000 ] - [ -0.0000724000000000, 0.0001358400000000, 0.0005742500000000 ] - [ -0.0016794000000000, 0.0004831100000000, -0.0018534600000000 ] - [ -0.0000036800000000, -0.0000042100000000, 0.0012545000000000 ] - [ 0.0009760700000000, -0.0025287600000000, -0.0009916000000000 ] - [ -0.0012559700000000, 0.0019033700000000, -0.0025489500000000 ] - [ 0.0035059300000000, 0.0081421800000000, 0.0002915900000000 ] - [ -0.0631785000000000, 0.0438059800000000, -0.0698542400000000 ] - [ 0.0007620700000000, -0.0034665800000000, -0.0044478600000000 ] - [ 0.0084713100000000, 0.0028288800000000, -0.0114020100000000 ] - [ 0.0003870800000000, 0.0000027500000000, 0.0006991200000000 ] - [ -0.0001890600000000, -0.0003355200000000, 0.0007060600000000 ] - [ -0.0001825200000000, 0.0003296700000000, 0.0006986700000000 ] - [ 0.0004412300000000, 0.0002312800000000, 0.0004171700000000 ] - [ -0.0001719900000000, 0.0000703700000000, 0.0005140500000000 ] - [ -0.0003499700000000, -0.0003520600000000, 0.0001965200000000 ] - [ 0.0006167000000000, 0.0002389300000000, 0.0002108000000000 ] - [ -0.0009094900000000, -0.0016713800000000, 0.0021888600000000 ] - [ -0.0009885200000000, 0.0013491000000000, 0.0021422900000000 ] - [ 0.0003475000000000, 0.0003259200000000, 0.0005329100000000 ] - [ -0.0004770200000000, 0.0001095700000000, 0.0005277000000000 ] - [ 0.0001437700000000, -0.0004494300000000, 0.0005124900000000 ] - [ 0.0002673600000000, -0.0003797300000000, 0.0025214000000000 ] - [ 0.0100683800000000, -0.0008719700000000, 0.0018176700000000 ] - [ -0.0009957800000000, 0.0018722600000000, -0.0007135400000000 ] - [ -0.0002342200000000, 0.0002630600000000, 0.0007781700000000 ] - [ -0.0001297600000000, 0.0001931400000000, 0.0011195300000000 ] - [ -0.0004146100000000, 0.0010651100000000, 0.0009336700000000 ] - [ 0.0038094200000000, -0.0005375800000000, 0.0003923600000000 ] - [ -0.0013744800000000, -0.0003376400000000, 0.0016362100000000 ] - [ -0.0016344000000000, -0.0001154900000000, 0.0001999400000000 ] - [ 0.1060124200000000, -0.1029295600000000, 0.1281610100000000 ] - [ 0.0087555600000000, 0.0017416700000000, 0.0004421100000000 ] - [ 0.0032076900000000, 0.0047353500000000, 0.0045969100000000 ] - [ 0.0001944100000000, -0.0011587500000000, 0.0007931700000000 ] - [ -0.0045029100000000, -0.0041770200000000, -0.0069616400000000 ] - [ -0.0007705400000000, -0.0072243200000000, 0.0005482000000000 ] - [ -0.0372418200000000, 0.0191744900000000, -0.0316225600000000 ] - [ -0.0034270200000000, 0.0040499900000000, 0.0016924500000000 ] - [ -0.0008847200000000, -0.0001968000000000, 0.0011824700000000 ] - [ -0.0127456500000000, 0.0044688100000000, 0.0071033600000000 ] - [ -0.0047611100000000, -0.0038726000000000, 0.0020882900000000 ] - [ 0.0005644700000000, -0.0006338800000000, 0.0001808300000000 ] - [ -0.0015281700000000, 0.0009005800000000, 0.0018443800000000 ] - [ -0.0000671400000000, -0.0021776300000000, -0.0014702700000000 ] - [ 0.0002269900000000, 0.0005557900000000, 0.0000661600000000 ] - [ 0.0001381300000000, -0.0002358700000000, -0.0001970800000000 ] - [ 0.0001212500000000, -0.0000073300000000, -0.0005912600000000 ] - [ -0.0003189600000000, 0.0002107000000000, -0.0003951500000000 ] - [ -0.0004549100000000, 0.0002431900000000, -0.0005513800000000 ] - [ 0.0001510600000000, -0.0007883600000000, -0.0001206300000000 ] - [ 0.0002287200000000, 0.0002939300000000, -0.0002741300000000 ] - [ 0.0003422100000000, 0.0001675400000000, -0.0003989200000000 ] - [ -0.0007584200000000, 0.0002661700000000, -0.0001226500000000 ] - [ 0.0006025700000000, 0.0005248500000000, -0.0001195100000000 ] - [ 0.0003008800000000, 0.0000610200000000, -0.0000273600000000 ] - [ -0.0005001000000000, 0.0001944700000000, -0.0005157200000000 ] - [ -0.0002245300000000, 0.0002584500000000, -0.0000339100000000 ] - [ 0.0001453800000000, -0.0003346400000000, -0.0002727100000000 ] - [ -0.0000299600000000, -0.0003800600000000, -0.0003964300000000 ] - [ -0.0003615500000000, 0.0000533700000000, -0.0002734100000000 ] - [ -0.0008280100000000, -0.0001287000000000, -0.0002148500000000 ] - [ 0.0003704800000000, -0.0005300000000000, -0.0000884300000000 ] - [ 0.0000068400000000, -0.0004923000000000, -0.0006535800000000 ] - [ -0.0000948300000000, -0.0003034600000000, 0.0000488500000000 ] - [ 0.0004633500000000, 0.0006891000000000, -0.0001409800000000 ] - [ 0.0003360200000000, -0.0000962400000000, -0.0005600700000000 ] - [ 0.0005680200000000, 0.0002997700000000, -0.0005951000000000 ] - [ -0.0002542700000000, -0.0002401100000000, -0.0005552800000000 ] - [ -0.0000837700000000, 0.0003394100000000, -0.0005591600000000 ] - [ -0.0002274500000000, -0.0002435700000000, -0.0007371900000000 ] - [ 0.0003253500000000, -0.0000758100000000, -0.0007442400000000 ] - [ -0.0002430400000000, 0.0001041100000000, -0.0002063300000000 ] - [ -0.0000956100000000, 0.0003174100000000, -0.0007395800000000 ] - [ 0.0002216100000000, -0.0010451900000000, 0.0001163800000000 ] - [ -0.0001066900000000, 0.0002753900000000, 0.0000470700000000 ] - [ 0.0007613800000000, 0.0004182400000000, -0.0004491900000000 ] - [ -0.0009084800000000, 0.0012698500000000, -0.0000950500000000 ] - [ 0.0011749400000000, 0.0004127600000000, -0.0000528000000000 ] - [ 0.0002976900000000, 0.0000564700000000, -0.0000639200000000 ] - [ -0.0005583100000000, 0.0001270600000000, -0.0005641400000000 ] - [ -0.0001630900000000, 0.0002597300000000, -0.0000192500000000 ] - [ 0.0001227600000000, -0.0002963100000000, -0.0006685500000000 ] - [ -0.0001426300000000, -0.0010924300000000, -0.0005371200000000 ] - [ -0.0003664300000000, 0.0000747600000000, -0.0007037500000000 ] - [ -0.0007430800000000, -0.0000656000000000, -0.0001427500000000 ] - [ 0.0004351000000000, -0.0005960200000000, -0.0001434000000000 ] - [ 0.0001658300000000, -0.0005195600000000, -0.0005730300000000 ] - [ -0.0001294300000000, -0.0003116500000000, -0.0000235500000000 ] - [ 0.0003000400000000, 0.0006675300000000, -0.0001475100000000 ] - [ 0.0005488100000000, 0.0022279700000000, -0.0033086300000000 ] - [ 0.0003398500000000, 0.0003993000000000, -0.0005566200000000 ] - [ 0.0000532000000000, -0.0022399400000000, -0.0030996800000000 ] - [ -0.0003271300000000, 0.0001568400000000, -0.0000089000000000 ]- atom: 46 displacement: [ -0.0050000000144975, 0.0086602540294743, 0.0000000000000000 ] forces: - [ -0.0013359500000000, -0.0021623400000000, 0.0015893100000000 ] - [ 0.0028348400000000, -0.0001281200000000, -0.0026557000000000 ] - [ 0.0002066600000000, -0.0004026600000000, 0.0014355900000000 ] - [ -0.0000148800000000, -0.0000083600000000, 0.0003935800000000 ] - [ 0.0000020800000000, -0.0000004300000000, 0.0006073500000000 ] - [ -0.0000423200000000, 0.0000053800000000, 0.0003368200000000 ] - [ -0.0086802600000000, -0.0155929700000000, -0.0152064800000000 ] - [ 0.0000146500000000, -0.0000316500000000, 0.0020846200000000 ] - [ 0.0003462400000000, -0.0000456800000000, 0.0019653500000000 ] - [ -0.0388017800000000, 0.0694547600000000, -0.0447014600000000 ] - [ 0.0010736800000000, 0.0005548800000000, -0.0001527600000000 ] - [ 0.0123557500000000, -0.0004840800000000, 0.0056130600000000 ] - [ 0.0000308000000000, 0.0000139900000000, 0.0011594900000000 ] - [ -0.0000074600000000, -0.0000033700000000, 0.0015949800000000 ] - [ -0.0009461100000000, -0.0002136900000000, 0.0014493200000000 ] - [ -0.0001698200000000, -0.0000132700000000, 0.0013449300000000 ] - [ -0.0016208900000000, 0.0029157200000000, -0.0028052300000000 ] - [ -0.0000056500000000, 0.0000041600000000, 0.0018348500000000 ] - [ 0.0046164700000000, -0.0039493100000000, -0.0039176300000000 ] - [ -0.0110858500000000, -0.0016647900000000, -0.0045108500000000 ] - [ 0.0015811600000000, 0.0133380700000000, -0.0057954400000000 ] - [ -0.0692977500000000, 0.1214206300000000, -0.1421279600000000 ] - [ -0.0058054000000000, -0.0104560300000000, -0.0155210900000000 ] - [ 0.0123464500000000, 0.0011213400000000, -0.0156851600000000 ] - [ 0.0003159400000000, -0.0001062800000000, 0.0011915600000000 ] - [ -0.0002529500000000, -0.0002162800000000, 0.0011895500000000 ] - [ -0.0000510000000000, 0.0003184900000000, 0.0011835800000000 ] - [ 0.0005165200000000, 0.0000404600000000, 0.0007476700000000 ] - [ -0.0003190900000000, 0.0001397100000000, 0.0009039800000000 ] - [ -0.0002220800000000, -0.0001867500000000, 0.0006712200000000 ] - [ 0.0000797700000000, 0.0004789800000000, 0.0004810000000000 ] - [ -0.0001055100000000, -0.0018058800000000, 0.0025045600000000 ] - [ -0.0007890200000000, 0.0012419100000000, 0.0023128200000000 ] - [ 0.0004713500000000, 0.0004257400000000, 0.0009975500000000 ] - [ -0.0006035200000000, 0.0001778500000000, 0.0010235800000000 ] - [ 0.0001628300000000, -0.0006005100000000, 0.0009725100000000 ] - [ -0.0001678500000000, -0.0003352100000000, 0.0031418600000000 ] - [ 0.0058838700000000, -0.0093807100000000, 0.0003878200000000 ] - [ -0.0028317100000000, 0.0034458400000000, -0.0011395400000000 ] - [ -0.0000395000000000, 0.0001950200000000, 0.0032251400000000 ] - [ -0.0008596100000000, 0.0000273100000000, 0.0016073500000000 ] - [ -0.0030680500000000, 0.0021913500000000, 0.0039027500000000 ] - [ 0.0092395200000000, 0.0026685100000000, -0.0046468000000000 ] - [ 0.0002460200000000, -0.0007703600000000, 0.0014253500000000 ] - [ -0.0006436500000000, -0.0009145800000000, 0.0009876500000000 ] - [ 0.1421771600000000, -0.2413879400000000, 0.2504139700000000 ] - [ 0.0089976200000000, 0.0358156400000000, -0.0174037200000000 ] - [ 0.0058018600000000, 0.0182379600000000, 0.0111255100000000 ] - [ 0.0041764700000000, 0.0043328300000000, 0.0048629900000000 ] - [ -0.0060138100000000, -0.0089519100000000, -0.0064930000000000 ] - [ 0.0036960500000000, -0.0031868900000000, 0.0057243000000000 ] - [ -0.0394922500000000, 0.0099193800000000, -0.0301552500000000 ] - [ -0.0035480000000000, 0.0073022300000000, 0.0038417800000000 ] - [ 0.0046625000000000, 0.0019663400000000, 0.0015414900000000 ] - [ -0.0186948800000000, 0.0040630200000000, 0.0113097400000000 ] - [ -0.0053301900000000, -0.0035798100000000, 0.0028237000000000 ] - [ 0.0025945700000000, 0.0008430900000000, -0.0006368400000000 ] - [ -0.0037144700000000, 0.0059241700000000, 0.0022230100000000 ] - [ -0.0000409800000000, -0.0027574600000000, -0.0003467900000000 ] - [ 0.0000358500000000, 0.0008490200000000, 0.0007853900000000 ] - [ 0.0000676100000000, -0.0004409200000000, -0.0004849700000000 ] - [ 0.0001107000000000, 0.0001282400000000, -0.0005978900000000 ] - [ -0.0003341700000000, 0.0002586400000000, -0.0005624700000000 ] - [ -0.0003137500000000, 0.0002177700000000, -0.0007914900000000 ] - [ 0.0001973800000000, -0.0007165800000000, -0.0002979600000000 ] - [ 0.0004439100000000, 0.0003042400000000, -0.0005894900000000 ] - [ 0.0003946500000000, 0.0001550400000000, -0.0005660300000000 ] - [ -0.0007187900000000, 0.0001916400000000, -0.0002958000000000 ] - [ 0.0005174200000000, 0.0005320800000000, -0.0002942000000000 ] - [ 0.0002388500000000, 0.0001691900000000, -0.0002412000000000 ] - [ -0.0005744600000000, 0.0002038000000000, -0.0008535100000000 ] - [ -0.0002717300000000, 0.0001506000000000, -0.0002742300000000 ] - [ 0.0000392100000000, -0.0005355700000000, -0.0005877000000000 ] - [ -0.0000638200000000, -0.0004177800000000, -0.0005622700000000 ] - [ -0.0004895700000000, 0.0002418100000000, -0.0005921800000000 ] - [ -0.0008829300000000, -0.0000248300000000, -0.0003376900000000 ] - [ 0.0004966300000000, -0.0005948100000000, -0.0003001600000000 ] - [ 0.0001094800000000, -0.0004875500000000, -0.0008675500000000 ] - [ -0.0000078300000000, -0.0003220500000000, -0.0001919400000000 ] - [ 0.0004054400000000, 0.0006356700000000, -0.0001904600000000 ] - [ 0.0004025300000000, -0.0000128900000000, -0.0008431300000000 ] - [ 0.0004881500000000, 0.0002922400000000, -0.0009123100000000 ] - [ -0.0002142000000000, -0.0003378200000000, -0.0008377900000000 ] - [ -0.0001906400000000, 0.0003529200000000, -0.0008449100000000 ] - [ -0.0003511500000000, -0.0002341400000000, -0.0010361900000000 ] - [ 0.0003804600000000, -0.0001881000000000, -0.0010445300000000 ] - [ 0.0000248300000000, -0.0000327300000000, -0.0005859000000000 ] - [ -0.0000248900000000, 0.0004250200000000, -0.0010518500000000 ] - [ 0.0004001800000000, -0.0010317200000000, 0.0000019200000000 ] - [ 0.0001862000000000, 0.0002464100000000, -0.0002328500000000 ] - [ 0.0003646800000000, 0.0004809300000000, -0.0009177200000000 ] - [ -0.0011372000000000, 0.0013828900000000, 0.0000169900000000 ] - [ 0.0009770700000000, 0.0001518700000000, -0.0003430700000000 ] - [ 0.0002256800000000, 0.0001697900000000, -0.0003406100000000 ] - [ -0.0006183800000000, 0.0000108100000000, -0.0007721500000000 ] - [ -0.0002217500000000, 0.0001288500000000, -0.0003342200000000 ] - [ -0.0000433100000000, -0.0004206200000000, -0.0008754800000000 ] - [ -0.0000801100000000, -0.0010000700000000, -0.0006939100000000 ] - [ -0.0004753800000000, 0.0002750900000000, -0.0009400000000000 ] - [ -0.0008321200000000, -0.0000798900000000, -0.0003080500000000 ] - [ 0.0004903900000000, -0.0006771400000000, -0.0003207800000000 ] - [ 0.0002884700000000, -0.0005134400000000, -0.0007804900000000 ] - [ 0.0000096900000000, -0.0002849000000000, -0.0003039000000000 ] - [ 0.0003390500000000, 0.0007479000000000, -0.0003139800000000 ] - [ 0.0000384200000000, 0.0021601400000000, -0.0030847300000000 ] - [ 0.0002692900000000, 0.0005125000000000, -0.0007622800000000 ] - [ -0.0000684200000000, -0.0024653300000000, -0.0033222900000000 ] - [ 0.0001438100000000, 0.0001963800000000, 0.0002464700000000 ]- atom: 46 displacement: [ 0.0050000000144975, -0.0086602540294743, 0.0000000000000000 ] forces: - [ 0.0013424600000000, 0.0021779400000000, -0.0014709400000000 ] - [ -0.0028513600000000, 0.0001332300000000, 0.0025428500000000 ] - [ -0.0002089100000000, 0.0004037000000000, -0.0013361500000000 ] - [ 0.0000141900000000, 0.0000085800000000, -0.0005201400000000 ] - [ -0.0000036500000000, 0.0000006500000000, -0.0004995300000000 ] - [ 0.0000429800000000, -0.0000078500000000, -0.0004652800000000 ] - [ 0.0086821300000000, 0.0156378000000000, 0.0151298300000000 ] - [ -0.0000140600000000, 0.0000362200000000, -0.0022036200000000 ] - [ -0.0003475300000000, 0.0000551400000000, -0.0020762900000000 ] - [ 0.0407858500000000, -0.0730195900000000, 0.0476870300000000 ] - [ -0.0010855800000000, -0.0005483400000000, 0.0002280300000000 ] - [ -0.0124115700000000, 0.0004852500000000, -0.0050544900000000 ] - [ -0.0000354500000000, -0.0000089600000000, -0.0015279900000000 ] - [ 0.0000080800000000, 0.0000052100000000, -0.0015245400000000 ] - [ 0.0009505500000000, 0.0002114500000000, -0.0009093900000000 ] - [ 0.0001687800000000, 0.0000205200000000, -0.0017068800000000 ] - [ 0.0017037100000000, -0.0030827200000000, 0.0028441700000000 ] - [ 0.0000061100000000, -0.0000062300000000, -0.0012878700000000 ] - [ -0.0036195300000000, 0.0043282300000000, 0.0036386800000000 ] - [ 0.0109658700000000, 0.0006026000000000, 0.0042513700000000 ] - [ -0.0023688600000000, -0.0127200100000000, 0.0055437300000000 ] - [ 0.0682903500000000, -0.1188158500000000, 0.1351738500000000 ] - [ 0.0055115300000000, 0.0106116700000000, 0.0152606200000000 ] - [ -0.0123370400000000, -0.0014723400000000, 0.0154260100000000 ] - [ 0.0006987200000000, 0.0004582800000000, -0.0014560400000000 ] - [ 0.0000672000000000, -0.0008386100000000, -0.0014549100000000 ] - [ -0.0007484800000000, 0.0003702700000000, -0.0014486700000000 ] - [ -0.0002426500000000, 0.0001641700000000, -0.0011775400000000 ] - [ 0.0000091400000000, -0.0000096700000000, -0.0013352100000000 ] - [ 0.0002714200000000, -0.0001588800000000, -0.0011043600000000 ] - [ 0.0009665000000000, -0.0001162600000000, -0.0007297400000000 ] - [ -0.0000807700000000, 0.0007591300000000, -0.0027518500000000 ] - [ -0.0000314800000000, -0.0005691600000000, -0.0025705200000000 ] - [ -0.0001975300000000, -0.0002277900000000, -0.0013979800000000 ] - [ 0.0003041700000000, -0.0000503400000000, -0.0014275000000000 ] - [ -0.0001195100000000, 0.0002621800000000, -0.0013784900000000 ] - [ 0.0001253800000000, -0.0001898700000000, -0.0037324900000000 ] - [ -0.0054341300000000, 0.0096322400000000, -0.0004655000000000 ] - [ 0.0022610700000000, -0.0031882700000000, 0.0009020300000000 ] - [ -0.0004101500000000, 0.0001158000000000, -0.0038173900000000 ] - [ 0.0010315800000000, -0.0018283900000000, -0.0012672800000000 ] - [ 0.0028175100000000, -0.0016554100000000, -0.0034289800000000 ] - [ -0.0088664900000000, -0.0023357600000000, 0.0045303300000000 ] - [ -0.0018951700000000, 0.0015381100000000, -0.0010941500000000 ] - [ 0.0021098600000000, 0.0019690800000000, -0.0006482300000000 ] - [ -0.1418853800000000, 0.2424231600000000, -0.2462008600000000 ] - [ -0.0096414700000000, -0.0347275500000000, 0.0167061300000000 ] - [ -0.0061559700000000, -0.0176853500000000, -0.0104823800000000 ] - [ -0.0035943700000000, -0.0043942500000000, -0.0043978000000000 ] - [ 0.0061494800000000, 0.0084564300000000, 0.0063915700000000 ] - [ -0.0040496300000000, 0.0026827100000000, -0.0052685000000000 ] - [ 0.0378950900000000, -0.0100244800000000, 0.0300119400000000 ] - [ 0.0042035900000000, -0.0082627100000000, -0.0036108600000000 ] - [ -0.0049266400000000, -0.0030560900000000, -0.0019020300000000 ] - [ 0.0183947900000000, -0.0047887200000000, -0.0106669000000000 ] - [ 0.0058353300000000, 0.0046285000000000, -0.0025945400000000 ] - [ -0.0021653300000000, -0.0013474000000000, 0.0005377300000000 ] - [ 0.0047870800000000, -0.0056160400000000, -0.0025886400000000 ] - [ -0.0006217800000000, 0.0026431000000000, 0.0002525200000000 ] - [ 0.0001679800000000, -0.0002147700000000, -0.0008978900000000 ] - [ -0.0000602600000000, -0.0000938800000000, -0.0000278000000000 ] - [ 0.0003532400000000, 0.0001406300000000, 0.0000802800000000 ] - [ -0.0002356300000000, -0.0000025800000000, 0.0003387400000000 ] - [ -0.0001510300000000, 0.0000437300000000, 0.0002765900000000 ] - [ -0.0000292900000000, -0.0010772700000000, 0.0006441300000000 ] - [ -0.0007029100000000, 0.0002397600000000, 0.0010731600000000 ] - [ 0.0001105000000000, 0.0002091600000000, 0.0003421500000000 ] - [ -0.0009267400000000, 0.0005693800000000, 0.0006415500000000 ] - [ 0.0009438400000000, 0.0005140800000000, 0.0006393300000000 ] - [ 0.0006203000000000, -0.0003612500000000, 0.0010073000000000 ] - [ -0.0002350100000000, 0.0005577500000000, 0.0005287800000000 ] - [ 0.0000072900000000, 0.0006894000000000, 0.0010404500000000 ] - [ 0.0005562900000000, 0.0004824900000000, 0.0010680000000000 ] - [ 0.0001263200000000, -0.0002038000000000, 0.0003385100000000 ] - [ 0.0001440800000000, -0.0007319800000000, 0.0010689700000000 ] - [ -0.0002681400000000, -0.0000615600000000, 0.0005903200000000 ] - [ 0.0001525900000000, -0.0003518700000000, 0.0005528300000000 ] - [ -0.0003661400000000, -0.0005942600000000, 0.0005416600000000 ] - [ -0.0005880000000000, -0.0003268600000000, 0.0009585200000000 ] - [ 0.0000916800000000, 0.0004033700000000, 0.0004403800000000 ] - [ 0.0000485300000000, -0.0004784400000000, 0.0007235400000000 ] - [ 0.0005681800000000, 0.0000362400000000, 0.0005863800000000 ] - [ -0.0004394900000000, 0.0001941300000000, 0.0007210200000000 ] - [ 0.0003881500000000, 0.0002853000000000, 0.0007228900000000 ] - [ 0.0003464900000000, -0.0003015100000000, 0.0005074500000000 ] - [ 0.0000896100000000, 0.0004480400000000, 0.0005104400000000 ] - [ -0.0006024300000000, 0.0002861400000000, 0.0003609000000000 ] - [ -0.0004361800000000, -0.0001532100000000, 0.0005218400000000 ] - [ -0.0002509200000000, -0.0007629900000000, 0.0003552000000000 ] - [ -0.0004487000000000, 0.0002940400000000, 0.0007193500000000 ] - [ 0.0001381300000000, -0.0001196900000000, 0.0006909200000000 ] - [ -0.0005060300000000, -0.0006259300000000, 0.0003210200000000 ] - [ 0.0004999800000000, 0.0009096900000000, 0.0007051500000000 ] - [ 0.0006271900000000, -0.0003487800000000, 0.0010884600000000 ] - [ -0.0001866100000000, 0.0007595700000000, 0.0004501700000000 ] - [ -0.0000490600000000, 0.0006989200000000, 0.0010838100000000 ] - [ 0.0006358800000000, 0.0003635300000000, 0.0013526400000000 ] - [ 0.0001469400000000, 0.0003839700000000, 0.0004626300000000 ] - [ 0.0001333200000000, -0.0007657500000000, 0.0014183900000000 ] - [ -0.0003234000000000, -0.0000064500000000, 0.0005594800000000 ] - [ 0.0001571000000000, -0.0002658800000000, 0.0005719300000000 ] - [ -0.0005544000000000, -0.0005705300000000, 0.0004579600000000 ] - [ -0.0005961900000000, -0.0003648600000000, 0.0010570400000000 ] - [ 0.0001584800000000, 0.0002916000000000, 0.0005618800000000 ] - [ 0.0004246700000000, -0.0026368000000000, 0.0029396000000000 ] - [ 0.0007938700000000, -0.0001935800000000, 0.0004387500000000 ] - [ -0.0005614000000000, 0.0023054200000000, 0.0031819900000000 ] - [ 0.0000373700000000, 0.0004397100000000, -0.0003927300000000 ]- atom: 46 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0009980400000000, 0.0019068200000000, 0.0000436200000000 ] - [ -0.0008661300000000, -0.0003391600000000, 0.0042556000000000 ] - [ -0.0004126300000000, 0.0008823900000000, -0.0022631000000000 ] - [ 0.0000137000000000, -0.0000011600000000, -0.0011994700000000 ] - [ -0.0000051100000000, 0.0000002800000000, -0.0012817200000000 ] - [ 0.0001453900000000, -0.0002110200000000, -0.0013741700000000 ] - [ 0.0078222400000000, 0.0080517000000000, 0.0235085500000000 ] - [ -0.0000684700000000, 0.0001610800000000, -0.0050446500000000 ] - [ -0.0001293200000000, 0.0004122100000000, -0.0047091700000000 ] - [ 0.0199267100000000, -0.0366447900000000, 0.0348146300000000 ] - [ -0.0002473500000000, -0.0011535600000000, -0.0018657900000000 ] - [ -0.0095212600000000, 0.0007150500000000, -0.0009933700000000 ] - [ 0.0000145700000000, -0.0000220600000000, -0.0035521200000000 ] - [ 0.0000075900000000, 0.0000216400000000, -0.0037601300000000 ] - [ 0.0013419100000000, -0.0001244000000000, -0.0028859000000000 ] - [ -0.0000721300000000, 0.0003526400000000, -0.0033279900000000 ] - [ 0.0076984700000000, -0.0151353600000000, -0.0057429200000000 ] - [ 0.0000261600000000, -0.0000383300000000, -0.0036091100000000 ] - [ -0.0031454800000000, 0.0010901100000000, 0.0040020500000000 ] - [ 0.0151929600000000, 0.0042924000000000, 0.0048939100000000 ] - [ -0.0067808300000000, -0.0167531300000000, 0.0045437100000000 ] - [ 0.0664295800000000, -0.1132766800000000, 0.2437373200000000 ] - [ 0.0000571300000000, 0.0040642100000000, 0.0144075000000000 ] - [ -0.0036204500000000, -0.0030185800000000, 0.0141114100000000 ] - [ 0.0009138400000000, 0.0008891300000000, -0.0033432200000000 ] - [ 0.0003231300000000, -0.0012414200000000, -0.0033426900000000 ] - [ -0.0012248200000000, 0.0003424200000000, -0.0033233200000000 ] - [ -0.0007155800000000, -0.0002061700000000, -0.0027333100000000 ] - [ 0.0005357100000000, 0.0000222700000000, -0.0030398600000000 ] - [ -0.0000498100000000, 0.0002368400000000, -0.0031368300000000 ] - [ 0.0035379200000000, 0.0021386800000000, -0.0016543800000000 ] - [ -0.0000914400000000, -0.0003706600000000, -0.0025849800000000 ] - [ -0.0038289500000000, -0.0007658300000000, -0.0032857600000000 ] - [ -0.0004924700000000, -0.0007228800000000, -0.0030489000000000 ] - [ 0.0007906900000000, -0.0000720300000000, -0.0032014200000000 ] - [ -0.0003138900000000, 0.0007430900000000, -0.0030804200000000 ] - [ -0.0035530800000000, 0.0007744600000000, -0.0054494000000000 ] - [ -0.0002051100000000, -0.0023215000000000, 0.0400656400000000 ] - [ 0.0017764000000000, -0.0022035600000000, -0.0007049900000000 ] - [ 0.0009652600000000, 0.0037985100000000, -0.0056271400000000 ] - [ 0.0005503400000000, -0.0003346300000000, -0.0008613700000000 ] - [ 0.0033472400000000, -0.0000349200000000, -0.0046822300000000 ] - [ -0.0108022700000000, -0.0070905600000000, 0.0073426100000000 ] - [ -0.0034182000000000, 0.0007998800000000, -0.0003045800000000 ] - [ 0.0034268100000000, 0.0023917200000000, -0.0010214900000000 ] - [ -0.1251542200000000, 0.2089214800000000, -0.3409062600000000 ] - [ -0.0045799200000000, -0.0279372000000000, -0.0005590700000000 ] - [ -0.0043549300000000, -0.0098170500000000, -0.0118210600000000 ] - [ -0.0044136200000000, -0.0053213000000000, -0.0064277400000000 ] - [ 0.0126957700000000, 0.0088888200000000, 0.0119663900000000 ] - [ -0.0005598200000000, 0.0100689100000000, -0.0061950600000000 ] - [ 0.0243679200000000, -0.0110320200000000, 0.0094128900000000 ] - [ 0.0035084600000000, -0.0055589200000000, -0.0037413800000000 ] - [ -0.0004570700000000, -0.0017259600000000, -0.0042329000000000 ] - [ 0.0104909400000000, -0.0016411000000000, -0.0118169100000000 ] - [ 0.0035070700000000, 0.0034628500000000, -0.0031539400000000 ] - [ -0.0031059900000000, -0.0021415000000000, 0.0013429900000000 ] - [ 0.0012858400000000, -0.0014916100000000, -0.0045822600000000 ] - [ -0.0006843200000000, 0.0036620400000000, 0.0013877600000000 ] - [ -0.0000020100000000, 0.0001930300000000, -0.0007847300000000 ] - [ 0.0002998400000000, -0.0000117700000000, 0.0012501700000000 ] - [ 0.0001935800000000, 0.0005746500000000, 0.0010060900000000 ] - [ -0.0001509400000000, -0.0002162700000000, 0.0009988400000000 ] - [ -0.0004300000000000, -0.0003957300000000, 0.0014104100000000 ] - [ -0.0001784900000000, -0.0013340000000000, 0.0013182900000000 ] - [ -0.0014834100000000, 0.0001817900000000, 0.0022281300000000 ] - [ -0.0001116600000000, 0.0002410200000000, 0.0009951800000000 ] - [ -0.0010722200000000, 0.0008269100000000, 0.0013197000000000 ] - [ 0.0012409000000000, 0.0005117000000000, 0.0013142400000000 ] - [ 0.0008607300000000, -0.0006709100000000, 0.0019301800000000 ] - [ 0.0000313400000000, 0.0010014900000000, 0.0013309400000000 ] - [ 0.0001542000000000, 0.0010389200000000, 0.0020035200000000 ] - [ 0.0009117500000000, 0.0011793200000000, 0.0022222200000000 ] - [ 0.0002612800000000, -0.0000236600000000, 0.0009950800000000 ] - [ 0.0005809200000000, -0.0013958700000000, 0.0022220700000000 ] - [ 0.0000953500000000, -0.0000026900000000, 0.0012384800000000 ] - [ -0.0000454100000000, -0.0001577800000000, 0.0011492400000000 ] - [ -0.0009032500000000, -0.0006988100000000, 0.0013916500000000 ] - [ -0.0010055400000000, -0.0003627200000000, 0.0020313700000000 ] - [ 0.0000167300000000, 0.0002443700000000, 0.0010561600000000 ] - [ -0.0002171400000000, -0.0008269600000000, 0.0018621000000000 ] - [ 0.0009190700000000, -0.0004706700000000, 0.0015874700000000 ] - [ -0.0006113000000000, 0.0005955600000000, 0.0018499900000000 ] - [ 0.0008258800000000, 0.0002352200000000, 0.0018627100000000 ] - [ 0.0008495400000000, -0.0003346900000000, 0.0016150700000000 ] - [ -0.0001322000000000, 0.0008958500000000, 0.0015948700000000 ] - [ -0.0008003600000000, -0.0005823300000000, 0.0008137400000000 ] - [ -0.0007177700000000, -0.0005901400000000, 0.0016546000000000 ] - [ -0.0020796800000000, -0.0016356100000000, 0.0018218300000000 ] - [ -0.0016551900000000, -0.0000486300000000, 0.0018312400000000 ] - [ 0.0001595200000000, -0.0001093500000000, 0.0007400200000000 ] - [ -0.0009407900000000, 0.0005375700000000, 0.0005963600000000 ] - [ 0.0028397800000000, 0.0018251000000000, 0.0025325900000000 ] - [ 0.0008313100000000, -0.0005763700000000, 0.0019226300000000 ] - [ 0.0000401200000000, 0.0012707800000000, 0.0012686000000000 ] - [ 0.0001103600000000, 0.0009360300000000, 0.0020227900000000 ] - [ 0.0007740900000000, 0.0007699200000000, 0.0017879400000000 ] - [ 0.0007923700000000, 0.0006995900000000, 0.0004807900000000 ] - [ 0.0009727700000000, -0.0015505500000000, 0.0023974500000000 ] - [ -0.0000689100000000, 0.0000732300000000, 0.0012293900000000 ] - [ -0.0000253600000000, -0.0000619200000000, 0.0012969000000000 ] - [ -0.0010838200000000, -0.0006508600000000, 0.0012667700000000 ] - [ -0.0009495200000000, -0.0004204600000000, 0.0019971000000000 ] - [ 0.0000504100000000, 0.0000406700000000, 0.0012420600000000 ] - [ 0.0005955900000000, -0.0016106500000000, 0.0015504200000000 ] - [ 0.0010980800000000, -0.0006607800000000, 0.0012520600000000 ] - [ 0.0011541700000000, 0.0011302400000000, 0.0017093400000000 ] - [ -0.0008178200000000, 0.0000546300000000, -0.0007781800000000 ]- atom: 46 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0009951600000000, -0.0019049800000000, 0.0000507700000000 ] - [ 0.0008597400000000, 0.0003406800000000, -0.0043748500000000 ] - [ 0.0004097800000000, -0.0008796400000000, 0.0023726800000000 ] - [ -0.0000141500000000, 0.0000011800000000, 0.0010807400000000 ] - [ 0.0000039700000000, -0.0000004700000000, 0.0013949500000000 ] - [ -0.0001470900000000, 0.0002134800000000, 0.0012577800000000 ] - [ -0.0078247700000000, -0.0080468100000000, -0.0236189500000000 ] - [ 0.0000692800000000, -0.0001565400000000, 0.0049492600000000 ] - [ 0.0001252600000000, -0.0004120200000000, 0.0046187400000000 ] - [ -0.0189660500000000, 0.0349069900000000, -0.0345602300000000 ] - [ 0.0002421200000000, 0.0011539100000000, 0.0019630800000000 ] - [ 0.0095123600000000, -0.0007217400000000, 0.0015023100000000 ] - [ -0.0000185400000000, 0.0000266500000000, 0.0032065800000000 ] - [ -0.0000068500000000, -0.0000203600000000, 0.0038527800000000 ] - [ -0.0013361000000000, 0.0001209000000000, 0.0034548000000000 ] - [ 0.0000760800000000, -0.0003538000000000, 0.0029831000000000 ] - [ -0.0077669800000000, 0.0152748400000000, 0.0058386300000000 ] - [ -0.0000260200000000, 0.0000367000000000, 0.0041814000000000 ] - [ 0.0041551800000000, -0.0007451900000000, -0.0042539800000000 ] - [ -0.0153358200000000, -0.0053312100000000, -0.0051358800000000 ] - [ 0.0059991700000000, 0.0173841600000000, -0.0047611200000000 ] - [ -0.0713864100000000, 0.1226859900000000, -0.2565983700000000 ] - [ -0.0003754100000000, -0.0039735700000000, -0.0149050600000000 ] - [ 0.0037034600000000, 0.0026836900000000, -0.0146173400000000 ] - [ 0.0000935100000000, -0.0005425900000000, 0.0031064100000000 ] - [ -0.0005096800000000, 0.0001957100000000, 0.0031051300000000 ] - [ 0.0004340400000000, 0.0003423200000000, 0.0030855100000000 ] - [ 0.0009900500000000, 0.0004073700000000, 0.0023197000000000 ] - [ -0.0008425000000000, 0.0001105100000000, 0.0026235300000000 ] - [ 0.0000948300000000, -0.0005814800000000, 0.0027168600000000 ] - [ -0.0025582700000000, -0.0018168400000000, 0.0014093100000000 ] - [ -0.0000835800000000, -0.0006659600000000, 0.0023304800000000 ] - [ 0.0030856400000000, 0.0014424300000000, 0.0030388600000000 ] - [ 0.0007647700000000, 0.0009165800000000, 0.0026609900000000 ] - [ -0.0010833000000000, 0.0001999700000000, 0.0028131100000000 ] - [ 0.0003530700000000, -0.0010775400000000, 0.0026880000000000 ] - [ 0.0035719400000000, -0.0013129000000000, 0.0049619800000000 ] - [ 0.0006810200000000, 0.0026546000000000, -0.0417058000000000 ] - [ -0.0023576000000000, 0.0024766200000000, 0.0004490600000000 ] - [ -0.0014319600000000, -0.0035515100000000, 0.0051383300000000 ] - [ -0.0003786200000000, -0.0014511700000000, 0.0011992800000000 ] - [ -0.0036188600000000, 0.0005779500000000, 0.0051679700000000 ] - [ 0.0112056200000000, 0.0073634400000000, -0.0074294700000000 ] - [ 0.0017676200000000, -0.0000409100000000, 0.0006411000000000 ] - [ -0.0019672600000000, -0.0013397400000000, 0.0013544200000000 ] - [ 0.1304444800000000, -0.2170574600000000, 0.3541752400000000 ] - [ 0.0037589100000000, 0.0288823700000000, 0.0003138200000000 ] - [ 0.0040834100000000, 0.0106887500000000, 0.0125593900000000 ] - [ 0.0050095200000000, 0.0052743400000000, 0.0069004400000000 ] - [ -0.0124619600000000, -0.0094432400000000, -0.0119774800000000 ] - [ 0.0002204000000000, -0.0105672200000000, 0.0066477400000000 ] - [ -0.0256776800000000, 0.0110439000000000, -0.0090633000000000 ] - [ -0.0028668500000000, 0.0046306700000000, 0.0040142700000000 ] - [ 0.0002137600000000, 0.0006439600000000, 0.0038987500000000 ] - [ -0.0111180900000000, 0.0010201700000000, 0.0125634100000000 ] - [ -0.0030182300000000, -0.0024294000000000, 0.0034193300000000 ] - [ 0.0035426200000000, 0.0016423300000000, -0.0014616400000000 ] - [ -0.0002362700000000, 0.0018304500000000, 0.0042500600000000 ] - [ 0.0000241000000000, -0.0037836500000000, -0.0015022500000000 ] - [ 0.0001942000000000, 0.0004454100000000, 0.0006494200000000 ] - [ -0.0002981500000000, -0.0005211100000000, -0.0017630200000000 ] - [ 0.0002726800000000, -0.0003121700000000, -0.0015265900000000 ] - [ -0.0004216100000000, 0.0004761000000000, -0.0012290100000000 ] - [ -0.0000306000000000, 0.0006608800000000, -0.0019262100000000 ] - [ 0.0003461000000000, -0.0004587800000000, -0.0009782300000000 ] - [ 0.0012291800000000, 0.0003630500000000, -0.0017548100000000 ] - [ 0.0006224800000000, 0.0001236300000000, -0.0012255400000000 ] - [ -0.0005713100000000, -0.0000662700000000, -0.0009801300000000 ] - [ 0.0002202900000000, 0.0005327300000000, -0.0009754400000000 ] - [ -0.0000035500000000, 0.0004813300000000, -0.0011791900000000 ] - [ -0.0008430100000000, -0.0002460300000000, -0.0016678100000000 ] - [ -0.0004194200000000, -0.0002027000000000, -0.0012521900000000 ] - [ -0.0003172600000000, -0.0012372800000000, -0.0017521900000000 ] - [ -0.0002004700000000, -0.0006027900000000, -0.0012251400000000 ] - [ -0.0009289800000000, 0.0009083500000000, -0.0017551300000000 ] - [ -0.0012534700000000, -0.0000853400000000, -0.0009897300000000 ] - [ 0.0006995800000000, -0.0007951200000000, -0.0009007500000000 ] - [ 0.0006528700000000, -0.0003834900000000, -0.0017294900000000 ] - [ 0.0004134700000000, -0.0002858600000000, -0.0012790200000000 ] - [ 0.0004834700000000, 0.0008012100000000, -0.0008103900000000 ] - [ 0.0006720200000000, 0.0003405200000000, -0.0020014100000000 ] - [ 0.0001349600000000, 0.0008034600000000, -0.0019250100000000 ] - [ -0.0000393300000000, -0.0007447700000000, -0.0019861100000000 ] - [ -0.0006342300000000, 0.0004029000000000, -0.0020044000000000 ] - [ -0.0008589400000000, -0.0002000700000000, -0.0021458300000000 ] - [ 0.0006039100000000, -0.0006409900000000, -0.0021300400000000 ] - [ 0.0002296700000000, 0.0008516500000000, -0.0010422800000000 ] - [ 0.0002607500000000, 0.0008658100000000, -0.0021867700000000 ] - [ 0.0022736500000000, -0.0001465600000000, -0.0014920100000000 ] - [ 0.0014074500000000, 0.0005967300000000, -0.0013559700000000 ] - [ 0.0003401300000000, 0.0004741400000000, -0.0009633200000000 ] - [ -0.0006983400000000, 0.0002088900000000, -0.0002500900000000 ] - [ -0.0014108900000000, -0.0007913900000000, -0.0022089800000000 ] - [ 0.0000205000000000, 0.0003989400000000, -0.0011873300000000 ] - [ -0.0008487800000000, -0.0005081100000000, -0.0016056900000000 ] - [ -0.0003831500000000, -0.0001092400000000, -0.0012883500000000 ] - [ -0.0001788200000000, -0.0008246800000000, -0.0013109000000000 ] - [ -0.0007380300000000, -0.0013257400000000, -0.0007052400000000 ] - [ -0.0013277900000000, 0.0010677500000000, -0.0019314000000000 ] - [ -0.0010913400000000, -0.0001609700000000, -0.0009820000000000 ] - [ 0.0006765400000000, -0.0008862600000000, -0.0010511100000000 ] - [ 0.0008257400000000, -0.0004324600000000, -0.0016044300000000 ] - [ 0.0003669300000000, -0.0002296300000000, -0.0012588600000000 ] - [ 0.0004507500000000, 0.0010039300000000, -0.0009980700000000 ] - [ -0.0001463200000000, 0.0011176200000000, -0.0016701000000000 ] - [ -0.0000385800000000, 0.0009868700000000, -0.0015904600000000 ] - [ -0.0018245100000000, -0.0012654800000000, -0.0018215900000000 ] - [ 0.0010239300000000, 0.0005857400000000, 0.0006539400000000 ]- atom: 47 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0029937300000000, -0.0005686100000000, 0.0021004600000000 ] - [ -0.0027246200000000, 0.0003776600000000, 0.0029461800000000 ] - [ -0.0000610100000000, 0.0001022400000000, -0.0002275800000000 ] - [ 0.0000159900000000, -0.0000031600000000, -0.0003824000000000 ] - [ -0.0000040900000000, 0.0000025000000000, -0.0003051600000000 ] - [ 0.0000379600000000, 0.0000220400000000, -0.0003835600000000 ] - [ 0.0152301000000000, 0.0041528500000000, 0.0088980000000000 ] - [ -0.0000117600000000, 0.0000005900000000, -0.0012770100000000 ] - [ -0.0006222300000000, -0.0000219200000000, -0.0015093400000000 ] - [ 0.0007146700000000, -0.0023571100000000, 0.0038077400000000 ] - [ -0.0009339000000000, -0.0003484000000000, -0.0003133500000000 ] - [ -0.0134669900000000, 0.0019697300000000, -0.0075147500000000 ] - [ -0.0000296900000000, 0.0000113800000000, -0.0010705400000000 ] - [ 0.0000184100000000, -0.0000043300000000, -0.0009542100000000 ] - [ 0.0009882100000000, -0.0004503700000000, -0.0011802200000000 ] - [ 0.0006140100000000, -0.0003384700000000, -0.0005394900000000 ] - [ 0.0009661300000000, -0.0026070300000000, -0.0005718500000000 ] - [ -0.0000022300000000, -0.0000057900000000, -0.0007217200000000 ] - [ 0.0004607100000000, 0.0004872900000000, 0.0007888400000000 ] - [ -0.0008956800000000, -0.0047026200000000, -0.0042810100000000 ] - [ -0.0029696300000000, 0.0066959800000000, -0.0058098400000000 ] - [ 0.0823960400000000, 0.0827165600000000, 0.0010123600000000 ] - [ -0.0136908500000000, 0.0021084800000000, 0.0021299300000000 ] - [ 0.0016274900000000, -0.0053022300000000, 0.0015275800000000 ] - [ 0.0005964600000000, 0.0003473500000000, -0.0009507900000000 ] - [ 0.0000203300000000, -0.0006870900000000, -0.0009530000000000 ] - [ -0.0006024200000000, 0.0003308300000000, -0.0009471900000000 ] - [ -0.0003083800000000, -0.0000992000000000, -0.0009400800000000 ] - [ 0.0001575800000000, 0.0000101600000000, -0.0009551900000000 ] - [ 0.0001582000000000, 0.0001368300000000, -0.0007845000000000 ] - [ 0.0002138600000000, 0.0015453500000000, 0.0002996100000000 ] - [ 0.0005973500000000, 0.0009708700000000, -0.0033435600000000 ] - [ -0.0004735200000000, -0.0014292500000000, -0.0023770300000000 ] - [ -0.0000714900000000, -0.0001619900000000, -0.0009506100000000 ] - [ 0.0002132600000000, 0.0000592300000000, -0.0009369600000000 ] - [ -0.0002110200000000, 0.0001217600000000, -0.0008445600000000 ] - [ -0.0012972500000000, 0.0005209700000000, -0.0014554000000000 ] - [ -0.0099532600000000, 0.0050835100000000, 0.0026010200000000 ] - [ -0.0000028600000000, -0.0001066900000000, -0.0002136400000000 ] - [ 0.0025526700000000, 0.0022397900000000, -0.0032390600000000 ] - [ 0.0001588300000000, -0.0011681400000000, -0.0006036400000000 ] - [ -0.0028349600000000, -0.0027192600000000, -0.0028435700000000 ] - [ 0.0019974400000000, 0.0010859900000000, 0.0002469700000000 ] - [ -0.0010093300000000, 0.0021557200000000, 0.0001743000000000 ] - [ 0.0026797700000000, -0.0002407700000000, 0.0007531000000000 ] - [ -0.0087080800000000, 0.0054614000000000, -0.0038414900000000 ] - [ -0.1255314500000000, -0.1409340800000000, -0.0175024500000000 ] - [ 0.0031240700000000, 0.0018734400000000, 0.0014417600000000 ] - [ 0.0043192000000000, 0.0076905000000000, 0.0069560200000000 ] - [ -0.0006273300000000, -0.0024508000000000, -0.0000876900000000 ] - [ 0.0046372000000000, -0.0048378800000000, 0.0127355200000000 ] - [ 0.0347565800000000, 0.0276201700000000, 0.0021193300000000 ] - [ 0.0051544000000000, -0.0045013900000000, -0.0007203900000000 ] - [ 0.0205609500000000, 0.0107514500000000, -0.0020843900000000 ] - [ -0.0005265000000000, 0.0005831500000000, -0.0004816900000000 ] - [ 0.0046009500000000, 0.0044215900000000, -0.0005841000000000 ] - [ 0.0001831100000000, 0.0000737300000000, 0.0010004000000000 ] - [ -0.0060073800000000, 0.0045994100000000, -0.0033280600000000 ] - [ -0.0005010300000000, -0.0003428100000000, 0.0025046800000000 ] - [ -0.0003592200000000, 0.0004026400000000, -0.0006416200000000 ] - [ 0.0000919100000000, -0.0002302800000000, -0.0000233000000000 ] - [ 0.0003494700000000, 0.0003073600000000, 0.0001247300000000 ] - [ -0.0002495200000000, 0.0000433400000000, 0.0001724000000000 ] - [ -0.0003480500000000, -0.0000877300000000, 0.0002522200000000 ] - [ 0.0000160700000000, -0.0010043300000000, 0.0004770800000000 ] - [ -0.0004655400000000, 0.0002544000000000, 0.0007431300000000 ] - [ 0.0001589300000000, 0.0001938700000000, 0.0001750200000000 ] - [ -0.0008873800000000, 0.0004911200000000, 0.0004768600000000 ] - [ 0.0008603900000000, 0.0005206900000000, 0.0004738400000000 ] - [ 0.0005854500000000, -0.0002567800000000, 0.0008233600000000 ] - [ -0.0002345100000000, 0.0006488100000000, 0.0001953800000000 ] - [ -0.0000682400000000, 0.0005856000000000, 0.0008079400000000 ] - [ 0.0004479900000000, 0.0002699000000000, 0.0007391300000000 ] - [ 0.0000934900000000, -0.0002362600000000, 0.0001738000000000 ] - [ 0.0000145500000000, -0.0005277900000000, 0.0007377800000000 ] - [ -0.0002873900000000, 0.0000205500000000, 0.0005216100000000 ] - [ 0.0001722700000000, -0.0003797400000000, 0.0004125000000000 ] - [ -0.0003997300000000, -0.0005780100000000, 0.0001858300000000 ] - [ -0.0004849100000000, -0.0003669000000000, 0.0007620300000000 ] - [ 0.0000570300000000, 0.0003725300000000, 0.0004104800000000 ] - [ 0.0001110900000000, -0.0004001100000000, 0.0004272600000000 ] - [ 0.0006159400000000, -0.0000371400000000, 0.0001904200000000 ] - [ -0.0003993900000000, 0.0001008300000000, 0.0004244800000000 ] - [ 0.0002859600000000, 0.0002991900000000, 0.0004232700000000 ] - [ 0.0002250100000000, -0.0002912700000000, 0.0001999900000000 ] - [ 0.0001361000000000, 0.0003422900000000, 0.0002375900000000 ] - [ -0.0001375700000000, -0.0002805700000000, -0.0009109100000000 ] - [ -0.0003667000000000, -0.0000540800000000, 0.0002304400000000 ] - [ -0.0003903800000000, -0.0014382900000000, 0.0004910000000000 ] - [ 0.0000499100000000, 0.0000938700000000, 0.0002065000000000 ] - [ -0.0005718200000000, -0.0001410400000000, 0.0005207500000000 ] - [ -0.0006171600000000, -0.0004103200000000, 0.0004288800000000 ] - [ 0.0007428500000000, 0.0009010600000000, 0.0007049200000000 ] - [ 0.0005234900000000, -0.0002299900000000, 0.0008078400000000 ] - [ -0.0002342300000000, 0.0006491600000000, 0.0002479600000000 ] - [ -0.0001841600000000, 0.0005475100000000, 0.0007265100000000 ] - [ 0.0005400700000000, 0.0003645600000000, 0.0013854100000000 ] - [ 0.0003008200000000, 0.0009200600000000, -0.0000179000000000 ] - [ 0.0001527700000000, -0.0005355500000000, 0.0012682800000000 ] - [ -0.0004325600000000, -0.0000142700000000, 0.0004100900000000 ] - [ 0.0002158500000000, -0.0003698100000000, 0.0004133500000000 ] - [ -0.0004431000000000, -0.0005723200000000, 0.0002564500000000 ] - [ -0.0003655600000000, -0.0003142600000000, 0.0006249200000000 ] - [ 0.0002421400000000, 0.0004116900000000, 0.0003986900000000 ] - [ 0.0009198800000000, -0.0019038400000000, 0.0028286900000000 ] - [ 0.0007724100000000, -0.0000972400000000, 0.0002294100000000 ] - [ -0.0004654100000000, 0.0021275700000000, 0.0030755300000000 ] - [ 0.0010440200000000, -0.0000517700000000, -0.0002627700000000 ]- atom: 47 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0029812500000000, 0.0006076300000000, -0.0020140900000000 ] - [ 0.0027284800000000, -0.0003792900000000, -0.0030812000000000 ] - [ 0.0000601200000000, -0.0001017900000000, 0.0003389200000000 ] - [ -0.0000163900000000, 0.0000032600000000, 0.0002610600000000 ] - [ 0.0000026400000000, -0.0000023700000000, 0.0004159400000000 ] - [ -0.0000376600000000, -0.0000226200000000, 0.0002613400000000 ] - [ -0.0154074100000000, -0.0038951500000000, -0.0087689600000000 ] - [ 0.0000127500000000, 0.0000025100000000, 0.0011667200000000 ] - [ 0.0006198600000000, 0.0000277300000000, 0.0014050000000000 ] - [ -0.0006760700000000, 0.0023078900000000, -0.0041213100000000 ] - [ 0.0009209600000000, 0.0003519900000000, 0.0003902500000000 ] - [ 0.0135032000000000, -0.0019775000000000, 0.0081226400000000 ] - [ 0.0000252200000000, -0.0000063800000000, 0.0007228400000000 ] - [ -0.0000178000000000, 0.0000062300000000, 0.0010371500000000 ] - [ -0.0009757500000000, 0.0004399400000000, 0.0017422400000000 ] - [ -0.0006109900000000, 0.0003413600000000, 0.0001968800000000 ] - [ -0.0009263800000000, 0.0025484100000000, 0.0006081100000000 ] - [ 0.0000023900000000, 0.0000037900000000, 0.0012950800000000 ] - [ 0.0005172400000000, -0.0001503800000000, -0.0010210200000000 ] - [ 0.0007041500000000, 0.0036398900000000, 0.0039906800000000 ] - [ 0.0021786700000000, -0.0059613400000000, 0.0055137700000000 ] - [ -0.0819243100000000, -0.0847194100000000, -0.0014074900000000 ] - [ 0.0133510400000000, -0.0020103600000000, -0.0025247800000000 ] - [ -0.0015728300000000, 0.0050003500000000, -0.0019269200000000 ] - [ 0.0004075400000000, 0.0000010300000000, 0.0007152700000000 ] - [ -0.0002040400000000, -0.0003561500000000, 0.0007167900000000 ] - [ -0.0001883300000000, 0.0003506500000000, 0.0007107100000000 ] - [ 0.0005768200000000, 0.0002943200000000, 0.0005159200000000 ] - [ -0.0004572900000000, 0.0001210500000000, 0.0005300500000000 ] - [ -0.0001135000000000, -0.0004726800000000, 0.0003577900000000 ] - [ 0.0008022200000000, -0.0011932500000000, -0.0005226500000000 ] - [ -0.0007833100000000, -0.0020166300000000, 0.0031220400000000 ] - [ -0.0003250900000000, 0.0021031900000000, 0.0021492600000000 ] - [ 0.0003402600000000, 0.0003526400000000, 0.0005563900000000 ] - [ -0.0005027500000000, 0.0000679400000000, 0.0005406600000000 ] - [ 0.0002498500000000, -0.0004520900000000, 0.0004455900000000 ] - [ 0.0012736400000000, -0.0010529800000000, 0.0009270100000000 ] - [ 0.0104651600000000, -0.0046478200000000, -0.0030283500000000 ] - [ -0.0005634600000000, 0.0003629300000000, -0.0000183400000000 ] - [ -0.0029900500000000, -0.0019367200000000, 0.0026923700000000 ] - [ 0.0000163800000000, -0.0006151000000000, 0.0009483000000000 ] - [ 0.0025916100000000, 0.0032484800000000, 0.0032999100000000 ] - [ -0.0014656300000000, -0.0007096200000000, -0.0004816800000000 ] - [ -0.0006305800000000, -0.0013955700000000, 0.0001743200000000 ] - [ -0.0012111400000000, 0.0012784200000000, -0.0004006900000000 ] - [ 0.0096159700000000, -0.0054765300000000, 0.0044993600000000 ] - [ 0.1249543200000000, 0.1437720200000000, 0.0168012600000000 ] - [ -0.0033761200000000, -0.0010072300000000, -0.0006725800000000 ] - [ -0.0036764800000000, -0.0077074000000000, -0.0064716700000000 ] - [ 0.0006785400000000, 0.0018075500000000, -0.0001472400000000 ] - [ -0.0049426900000000, 0.0042831700000000, -0.0121065600000000 ] - [ -0.0366824900000000, -0.0283073400000000, -0.0018396400000000 ] - [ -0.0045060400000000, 0.0035620800000000, 0.0009709800000000 ] - [ -0.0205740500000000, -0.0116067100000000, 0.0017392900000000 ] - [ -0.0000797700000000, -0.0012390300000000, 0.0012366500000000 ] - [ -0.0041226700000000, -0.0034029800000000, 0.0008360900000000 ] - [ 0.0002647700000000, -0.0005651200000000, -0.0011305100000000 ] - [ 0.0070516300000000, -0.0043317100000000, 0.0029840100000000 ] - [ -0.0001598900000000, 0.0002061800000000, -0.0026017700000000 ] - [ 0.0005564600000000, 0.0002374700000000, 0.0004962700000000 ] - [ -0.0000912400000000, -0.0003010900000000, -0.0004830100000000 ] - [ 0.0001164200000000, -0.0000458200000000, -0.0006357500000000 ] - [ -0.0003236700000000, 0.0002170700000000, -0.0004082700000000 ] - [ -0.0001109600000000, 0.0003523300000000, -0.0007591700000000 ] - [ 0.0001474200000000, -0.0007916200000000, -0.0001314000000000 ] - [ 0.0002117700000000, 0.0002913700000000, -0.0002667300000000 ] - [ 0.0003522600000000, 0.0001715300000000, -0.0004112800000000 ] - [ -0.0007566900000000, 0.0002737100000000, -0.0001317500000000 ] - [ 0.0006059800000000, 0.0005220400000000, -0.0001296200000000 ] - [ 0.0002791300000000, 0.0000666800000000, -0.0000646700000000 ] - [ -0.0005740400000000, 0.0001173500000000, -0.0005227700000000 ] - [ -0.0002001300000000, 0.0002567900000000, -0.0000502300000000 ] - [ 0.0001463900000000, -0.0003281600000000, -0.0002667600000000 ] - [ -0.0000326200000000, -0.0003907400000000, -0.0004096900000000 ] - [ -0.0003634300000000, 0.0000413300000000, -0.0002680200000000 ] - [ -0.0008832900000000, -0.0001029300000000, -0.0002717200000000 ] - [ 0.0004840300000000, -0.0005859900000000, -0.0001641700000000 ] - [ 0.0001388400000000, -0.0005055000000000, -0.0005143700000000 ] - [ -0.0001115400000000, -0.0002874700000000, -0.0000032900000000 ] - [ 0.0004511100000000, 0.0006803100000000, -0.0001640900000000 ] - [ 0.0003421800000000, -0.0000866300000000, -0.0005748900000000 ] - [ 0.0004441900000000, 0.0003622100000000, -0.0005197100000000 ] - [ -0.0002516900000000, -0.0002482700000000, -0.0005685100000000 ] - [ -0.0000930900000000, 0.0003384200000000, -0.0005732800000000 ] - [ -0.0002373800000000, -0.0002408500000000, -0.0007242500000000 ] - [ 0.0003345800000000, -0.0000906600000000, -0.0007663000000000 ] - [ -0.0004401700000000, 0.0005424500000000, 0.0006709000000000 ] - [ -0.0000872800000000, 0.0003309200000000, -0.0007557100000000 ] - [ 0.0005504400000000, -0.0003584800000000, -0.0001422600000000 ] - [ -0.0003029700000000, 0.0004502600000000, 0.0002661000000000 ] - [ 0.0010791600000000, 0.0005058000000000, -0.0007537500000000 ] - [ -0.0010247200000000, 0.0011729900000000, -0.0000868000000000 ] - [ 0.0007292500000000, 0.0001471800000000, -0.0003502000000000 ] - [ 0.0003342000000000, 0.0000531100000000, -0.0000677400000000 ] - [ -0.0005724000000000, 0.0001209100000000, -0.0005779200000000 ] - [ -0.0000917800000000, 0.0002840000000000, 0.0000141500000000 ] - [ 0.0000539500000000, -0.0004237100000000, -0.0009189400000000 ] - [ -0.0002389000000000, -0.0015451900000000, -0.0002216800000000 ] - [ -0.0005006900000000, 0.0000496300000000, -0.0008041600000000 ] - [ -0.0007403400000000, -0.0000688400000000, -0.0001619200000000 ] - [ 0.0004377500000000, -0.0005913300000000, -0.0001656800000000 ] - [ 0.0001774400000000, -0.0005123700000000, -0.0005866900000000 ] - [ -0.0002198400000000, -0.0003407900000000, 0.0001186100000000 ] - [ 0.0002686100000000, 0.0006422000000000, -0.0001531400000000 ] - [ -0.0004679400000000, 0.0014259900000000, -0.0029931800000000 ] - [ 0.0002920700000000, 0.0004173900000000, -0.0005604400000000 ] - [ -0.0001767600000000, -0.0022847100000000, -0.0032364400000000 ] - [ -0.0008532900000000, 0.0006863200000000, 0.0001031500000000 ]- atom: 47 displacement: [ -0.0050000000144975, 0.0086602540294743, 0.0000000000000000 ] forces: - [ -0.0019006900000000, 0.0022535000000000, 0.0031508800000000 ] - [ -0.0007428600000000, 0.0001824100000000, 0.0012916800000000 ] - [ 0.0000895400000000, -0.0002721300000000, -0.0000796600000000 ] - [ -0.0000168600000000, 0.0000074900000000, -0.0004814500000000 ] - [ -0.0000027200000000, -0.0000006900000000, -0.0003989600000000 ] - [ 0.0001954600000000, -0.0002088100000000, -0.0006944900000000 ] - [ -0.0070491100000000, 0.0137939500000000, 0.0066794600000000 ] - [ 0.0000334500000000, -0.0000372500000000, -0.0015902900000000 ] - [ 0.0001878500000000, 0.0006753000000000, -0.0016889600000000 ] - [ 0.0080624400000000, -0.0116773000000000, 0.0099061300000000 ] - [ 0.0006601300000000, 0.0002034000000000, -0.0010651600000000 ] - [ -0.0038339600000000, 0.0011842200000000, 0.0008449600000000 ] - [ 0.0000095300000000, -0.0000084700000000, -0.0013556700000000 ] - [ -0.0000157400000000, 0.0000196600000000, -0.0012442400000000 ] - [ -0.0010099900000000, 0.0006577500000000, -0.0016192800000000 ] - [ -0.0007042300000000, 0.0002984200000000, -0.0004939300000000 ] - [ 0.0084295500000000, -0.0120417200000000, -0.0062561600000000 ] - [ 0.0000376300000000, -0.0000280400000000, -0.0010744200000000 ] - [ 0.0084430500000000, 0.0013613100000000, -0.0078138300000000 ] - [ -0.0057592700000000, -0.0053579600000000, -0.0064884400000000 ] - [ 0.0004380300000000, 0.0034658800000000, -0.0008984900000000 ] - [ 0.0332097800000000, 0.1705661400000000, 0.0013339700000000 ] - [ -0.0087878500000000, -0.0022441700000000, 0.0029566200000000 ] - [ 0.0128479300000000, -0.0130062700000000, 0.0029229300000000 ] - [ 0.0005975500000000, 0.0004156700000000, -0.0012013300000000 ] - [ 0.0000634200000000, -0.0007328200000000, -0.0011958100000000 ] - [ -0.0006482600000000, 0.0003162900000000, -0.0011976300000000 ] - [ -0.0001131300000000, -0.0001789700000000, -0.0011636400000000 ] - [ 0.0003357100000000, -0.0002731700000000, -0.0011623600000000 ] - [ -0.0001413200000000, 0.0004235800000000, -0.0012020900000000 ] - [ 0.0023349200000000, 0.0020782400000000, -0.0009615600000000 ] - [ 0.0011928100000000, -0.0008672100000000, 0.0005998500000000 ] - [ -0.0043441400000000, -0.0008595700000000, -0.0011474100000000 ] - [ 0.0000042100000000, -0.0003061900000000, -0.0010507900000000 ] - [ 0.0001817100000000, 0.0001840100000000, -0.0011574200000000 ] - [ -0.0001281400000000, 0.0000907200000000, -0.0011671900000000 ] - [ -0.0056479700000000, 0.0021016000000000, -0.0042240400000000 ] - [ 0.0035632600000000, 0.0370985000000000, 0.0238080600000000 ] - [ -0.0025072900000000, 0.0019028100000000, 0.0003853600000000 ] - [ 0.0019487600000000, 0.0050998100000000, -0.0039648400000000 ] - [ -0.0016459500000000, -0.0025854200000000, 0.0010817700000000 ] - [ -0.0081070800000000, 0.0028213800000000, 0.0129277600000000 ] - [ 0.0041945800000000, 0.0021649900000000, -0.0011681500000000 ] - [ -0.0006993900000000, 0.0024909100000000, 0.0010110700000000 ] - [ 0.0002407900000000, 0.0002097300000000, 0.0002482700000000 ] - [ 0.0036376800000000, 0.0314845100000000, -0.0219601800000000 ] - [ -0.0591164400000000, -0.2663416700000000, -0.0204498600000000 ] - [ 0.0020382700000000, 0.0040566600000000, 0.0011241000000000 ] - [ 0.0073321300000000, 0.0106439300000000, 0.0101914200000000 ] - [ -0.0015067600000000, -0.0018783100000000, -0.0014691900000000 ] - [ -0.0000045100000000, -0.0062527500000000, -0.0011167800000000 ] - [ 0.0073408500000000, -0.0058334900000000, 0.0000385200000000 ] - [ 0.0019774000000000, -0.0012008200000000, -0.0008207400000000 ] - [ 0.0128142100000000, -0.0006410100000000, -0.0046915500000000 ] - [ -0.0048646700000000, 0.0024025700000000, 0.0015659400000000 ] - [ 0.0009363300000000, 0.0065719500000000, -0.0011652500000000 ] - [ 0.0010337500000000, 0.0001338900000000, 0.0013887400000000 ] - [ -0.0058923300000000, 0.0271160700000000, -0.0026127800000000 ] - [ -0.0000437300000000, -0.0008495900000000, -0.0004443000000000 ] - [ 0.0000610300000000, -0.0000044900000000, 0.0028221400000000 ] - [ 0.0004387200000000, -0.0004231000000000, 0.0004947600000000 ] - [ -0.0000012300000000, 0.0003929500000000, 0.0003757800000000 ] - [ -0.0002315400000000, 0.0000065400000000, 0.0002626500000000 ] - [ -0.0004815200000000, 0.0000073200000000, 0.0002927000000000 ] - [ 0.0000063600000000, -0.0010390700000000, 0.0005663300000000 ] - [ -0.0005564400000000, 0.0002482800000000, 0.0008836600000000 ] - [ 0.0001209200000000, 0.0001987700000000, 0.0002607400000000 ] - [ -0.0009026300000000, 0.0005230300000000, 0.0005658400000000 ] - [ 0.0008938800000000, 0.0005203300000000, 0.0005673000000000 ] - [ 0.0005754800000000, -0.0002633000000000, 0.0009279900000000 ] - [ -0.0002590900000000, 0.0007163600000000, 0.0002879900000000 ] - [ -0.0000602000000000, 0.0006832600000000, 0.0009484500000000 ] - [ 0.0004879900000000, 0.0003614800000000, 0.0008829500000000 ] - [ 0.0001060600000000, -0.0002095900000000, 0.0002595800000000 ] - [ 0.0000584700000000, -0.0005967400000000, 0.0008792000000000 ] - [ -0.0003864900000000, -0.0000633000000000, 0.0004700100000000 ] - [ 0.0001737700000000, -0.0001782900000000, 0.0005982100000000 ] - [ -0.0005563300000000, -0.0005082900000000, 0.0002884200000000 ] - [ -0.0005352300000000, -0.0003830800000000, 0.0009526600000000 ] - [ 0.0002450700000000, 0.0001856300000000, 0.0005899700000000 ] - [ 0.0000697000000000, -0.0004480100000000, 0.0005825300000000 ] - [ 0.0007867400000000, -0.0001958200000000, 0.0002291600000000 ] - [ -0.0004319900000000, 0.0001617000000000, 0.0005799200000000 ] - [ 0.0003561400000000, 0.0002912100000000, 0.0005861500000000 ] - [ 0.0002989300000000, -0.0002836100000000, 0.0003829800000000 ] - [ 0.0001082400000000, 0.0003875600000000, 0.0003293100000000 ] - [ -0.0002399500000000, -0.0008362500000000, 0.0001676500000000 ] - [ -0.0003959900000000, -0.0001299500000000, 0.0003762200000000 ] - [ -0.0014537000000000, -0.0016353800000000, 0.0011734700000000 ] - [ -0.0009290600000000, -0.0000680200000000, 0.0009737000000000 ] - [ -0.0002004800000000, 0.0000662500000000, -0.0010473100000000 ] - [ -0.0013337400000000, 0.0010464100000000, 0.0001484900000000 ] - [ 0.0033207800000000, 0.0015341600000000, 0.0026030200000000 ] - [ 0.0005428900000000, -0.0001032600000000, 0.0006941800000000 ] - [ -0.0002576700000000, 0.0007187000000000, 0.0003198400000000 ] - [ -0.0000571500000000, 0.0004176000000000, 0.0007654000000000 ] - [ 0.0000464400000000, -0.0001719300000000, 0.0001164000000000 ] - [ 0.0010384400000000, 0.0008829900000000, -0.0004572900000000 ] - [ 0.0006983600000000, -0.0009270000000000, 0.0012225800000000 ] - [ -0.0004813500000000, 0.0000298200000000, 0.0005002100000000 ] - [ 0.0002216700000000, -0.0004225800000000, 0.0005666600000000 ] - [ -0.0004754700000000, -0.0006401400000000, 0.0003082000000000 ] - [ -0.0004597500000000, -0.0003594400000000, 0.0009002500000000 ] - [ 0.0001921600000000, 0.0004069900000000, 0.0005356500000000 ] - [ -0.0003994400000000, -0.0010517600000000, -0.0003480700000000 ] - [ 0.0007158400000000, -0.0001376500000000, 0.0003098200000000 ] - [ 0.0012683100000000, 0.0004080100000000, 0.0003761300000000 ] - [ -0.0009243000000000, 0.0000912800000000, -0.0005917900000000 ]- atom: 47 displacement: [ 0.0050000000144975, -0.0086602540294743, 0.0000000000000000 ] forces: - [ 0.0019486300000000, -0.0021835200000000, -0.0031000700000000 ] - [ 0.0007304600000000, -0.0001813500000000, -0.0013970000000000 ] - [ -0.0000917600000000, 0.0002703000000000, 0.0001880800000000 ] - [ 0.0000158500000000, -0.0000072600000000, 0.0003603000000000 ] - [ 0.0000010000000000, 0.0000007300000000, 0.0005090000000000 ] - [ -0.0001972400000000, 0.0002098000000000, 0.0005755900000000 ] - [ 0.0074509300000000, -0.0135256400000000, -0.0062548500000000 ] - [ -0.0000325200000000, 0.0000401100000000, 0.0014752100000000 ] - [ -0.0001910700000000, -0.0006739900000000, 0.0015788700000000 ] - [ -0.0080914900000000, 0.0116992100000000, -0.0102762700000000 ] - [ -0.0006574700000000, -0.0002015500000000, 0.0011447300000000 ] - [ 0.0037607600000000, -0.0011782500000000, -0.0003413900000000 ] - [ -0.0000137800000000, 0.0000129700000000, 0.0010062300000000 ] - [ 0.0000162000000000, -0.0000177500000000, 0.0013243300000000 ] - [ 0.0010029900000000, -0.0006501300000000, 0.0021805300000000 ] - [ 0.0007065000000000, -0.0002919400000000, 0.0001434400000000 ] - [ -0.0084542700000000, 0.0120727100000000, 0.0063515700000000 ] - [ -0.0000379200000000, 0.0000261100000000, 0.0016458800000000 ] - [ -0.0073950000000000, -0.0009920800000000, 0.0075229500000000 ] - [ 0.0055775000000000, 0.0043115800000000, 0.0061978400000000 ] - [ -0.0012034700000000, -0.0028473700000000, 0.0006816600000000 ] - [ -0.0370204600000000, -0.1766688700000000, -0.0016316100000000 ] - [ 0.0085203300000000, 0.0023897600000000, -0.0033514400000000 ] - [ -0.0128033900000000, 0.0126395800000000, -0.0033204300000000 ] - [ 0.0004065900000000, -0.0000668800000000, 0.0009643000000000 ] - [ -0.0002471700000000, -0.0003110700000000, 0.0009581800000000 ] - [ -0.0001431500000000, 0.0003652400000000, 0.0009595700000000 ] - [ 0.0003841800000000, 0.0003753700000000, 0.0007385900000000 ] - [ -0.0006343600000000, 0.0004018000000000, 0.0007350700000000 ] - [ 0.0001823500000000, -0.0007592800000000, 0.0007707800000000 ] - [ -0.0013345000000000, -0.0017574300000000, 0.0007203400000000 ] - [ -0.0013741200000000, -0.0001585200000000, -0.0008509600000000 ] - [ 0.0035922700000000, 0.0015256200000000, 0.0009005200000000 ] - [ 0.0002632600000000, 0.0004953600000000, 0.0006538200000000 ] - [ -0.0004691900000000, -0.0000580900000000, 0.0007583400000000 ] - [ 0.0001663400000000, -0.0004191300000000, 0.0007651800000000 ] - [ 0.0056465800000000, -0.0026324100000000, 0.0037021500000000 ] - [ -0.0032716700000000, -0.0373492300000000, -0.0248024200000000 ] - [ 0.0019282600000000, -0.0016403500000000, -0.0006134800000000 ] - [ -0.0024155900000000, -0.0048523400000000, 0.0034568400000000 ] - [ 0.0018037800000000, 0.0007827300000000, -0.0007340800000000 ] - [ 0.0077642200000000, -0.0022727900000000, -0.0123213000000000 ] - [ -0.0036900400000000, -0.0018060600000000, 0.0009569900000000 ] - [ -0.0009515500000000, -0.0017116500000000, -0.0006605000000000 ] - [ 0.0012076100000000, 0.0008408000000000, 0.0000915800000000 ] - [ -0.0029612600000000, -0.0321061200000000, 0.0230823200000000 ] - [ 0.0622608300000000, 0.2733817000000000, 0.0196430200000000 ] - [ -0.0023204300000000, -0.0032448100000000, -0.0003978300000000 ] - [ -0.0067064400000000, -0.0106202400000000, -0.0096952400000000 ] - [ 0.0015763000000000, 0.0012722500000000, 0.0012401300000000 ] - [ -0.0003888300000000, 0.0057841100000000, 0.0015060700000000 ] - [ -0.0082956200000000, 0.0059541400000000, 0.0002371800000000 ] - [ -0.0013143900000000, 0.0002222200000000, 0.0010695400000000 ] - [ -0.0131069200000000, -0.0005256800000000, 0.0043343100000000 ] - [ 0.0042808600000000, -0.0030521300000000, -0.0008221600000000 ] - [ -0.0003950200000000, -0.0054672300000000, 0.0014107500000000 ] - [ -0.0005897000000000, -0.0006333200000000, -0.0015102500000000 ] - [ 0.0069695900000000, -0.0264200900000000, 0.0022480000000000 ] - [ -0.0006118900000000, 0.0007181000000000, 0.0003006000000000 ] - [ 0.0001394900000000, 0.0006367000000000, -0.0029361600000000 ] - [ -0.0004379700000000, -0.0001085300000000, -0.0009976700000000 ] - [ 0.0004648000000000, -0.0001343000000000, -0.0008877400000000 ] - [ -0.0003428300000000, 0.0002550400000000, -0.0004977400000000 ] - [ 0.0000224600000000, 0.0002603900000000, -0.0008006700000000 ] - [ 0.0001562500000000, -0.0007582300000000, -0.0002202300000000 ] - [ 0.0003024500000000, 0.0002973200000000, -0.0004068400000000 ] - [ 0.0003916700000000, 0.0001667800000000, -0.0004963100000000 ] - [ -0.0007423600000000, 0.0002430400000000, -0.0002203300000000 ] - [ 0.0005736400000000, 0.0005224400000000, -0.0002225500000000 ] - [ 0.0002892000000000, 0.0000720900000000, -0.0001688600000000 ] - [ -0.0005481800000000, 0.0000522800000000, -0.0006140200000000 ] - [ -0.0002077600000000, 0.0001610100000000, -0.0001892500000000 ] - [ 0.0001062800000000, -0.0004196300000000, -0.0004102200000000 ] - [ -0.0000460900000000, -0.0004188900000000, -0.0004949800000000 ] - [ -0.0004074700000000, 0.0001101600000000, -0.0004090000000000 ] - [ -0.0007877800000000, -0.0000212500000000, -0.0002216000000000 ] - [ 0.0004835900000000, -0.0007875000000000, -0.0003481800000000 ] - [ 0.0002907800000000, -0.0005748200000000, -0.0006156000000000 ] - [ -0.0000628100000000, -0.0002712500000000, -0.0001921500000000 ] - [ 0.0002664800000000, 0.0008683500000000, -0.0003429000000000 ] - [ 0.0003826000000000, -0.0000405000000000, -0.0007286700000000 ] - [ 0.0002764500000000, 0.0005171500000000, -0.0005572600000000 ] - [ -0.0002200000000000, -0.0003074600000000, -0.0007224300000000 ] - [ -0.0001615200000000, 0.0003463800000000, -0.0007345000000000 ] - [ -0.0003120700000000, -0.0002485900000000, -0.0009061000000000 ] - [ 0.0003625800000000, -0.0001365400000000, -0.0008570500000000 ] - [ -0.0003410000000000, 0.0011064200000000, -0.0003946600000000 ] - [ -0.0000578000000000, 0.0004073400000000, -0.0009005300000000 ] - [ 0.0016307500000000, -0.0001461400000000, -0.0008347500000000 ] - [ 0.0006786000000000, 0.0006168900000000, -0.0004987500000000 ] - [ 0.0007065400000000, 0.0002947800000000, 0.0008181900000000 ] - [ -0.0003043500000000, -0.0002964700000000, 0.0001979300000000 ] - [ -0.0018856800000000, -0.0004933300000000, -0.0022792600000000 ] - [ 0.0003160000000000, -0.0000758600000000, 0.0000482000000000 ] - [ -0.0005463000000000, 0.0000563900000000, -0.0006482400000000 ] - [ -0.0002176300000000, 0.0004167400000000, -0.0000219200000000 ] - [ 0.0005484900000000, 0.0001135500000000, 0.0003581900000000 ] - [ -0.0009830400000000, -0.0015095800000000, 0.0002239700000000 ] - [ -0.0010543100000000, 0.0004456600000000, -0.0007557400000000 ] - [ -0.0006931000000000, -0.0001132800000000, -0.0002523000000000 ] - [ 0.0004326700000000, -0.0005394700000000, -0.0003196700000000 ] - [ 0.0002037800000000, -0.0004443000000000, -0.0006367200000000 ] - [ -0.0001286900000000, -0.0002967100000000, -0.0001539200000000 ] - [ 0.0003189200000000, 0.0006477900000000, -0.0002904700000000 ] - [ 0.0008506900000000, 0.0005507200000000, 0.0002171400000000 ] - [ 0.0003510900000000, 0.0004535000000000, -0.0006391000000000 ] - [ -0.0019326800000000, -0.0005341200000000, -0.0004931300000000 ] - [ 0.0011226800000000, 0.0005500500000000, 0.0004454300000000 ]- atom: 47 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0028686400000000, 0.0063859800000000, 0.0012883200000000 ] - [ -0.0006892900000000, 0.0002195100000000, 0.0027351300000000 ] - [ -0.0000123800000000, 0.0000473600000000, -0.0009734000000000 ] - [ 0.0000005700000000, -0.0000056900000000, -0.0011079700000000 ] - [ -0.0000067800000000, -0.0000003800000000, -0.0011088200000000 ] - [ 0.0000776900000000, -0.0001295800000000, -0.0010291400000000 ] - [ 0.0082562200000000, 0.0160961700000000, 0.0383231300000000 ] - [ -0.0000096000000000, 0.0000117900000000, -0.0041601000000000 ] - [ 0.0000197600000000, -0.0001367600000000, -0.0038852700000000 ] - [ -0.0017860300000000, 0.0019835800000000, 0.0036667300000000 ] - [ -0.0001835900000000, 0.0001304200000000, -0.0024834200000000 ] - [ -0.0043392800000000, -0.0009230400000000, 0.0044272300000000 ] - [ 0.0000010200000000, 0.0000097900000000, -0.0031744800000000 ] - [ 0.0000128200000000, 0.0000303500000000, -0.0033145100000000 ] - [ 0.0000389300000000, -0.0003475500000000, -0.0037059200000000 ] - [ 0.0004704400000000, 0.0010745400000000, -0.0040982900000000 ] - [ 0.0055395300000000, -0.0089022300000000, -0.0028409200000000 ] - [ 0.0000227200000000, -0.0000367500000000, -0.0030755000000000 ] - [ 0.0070478200000000, 0.0012755100000000, -0.0064917700000000 ] - [ -0.0008966100000000, -0.0041685500000000, -0.0040573300000000 ] - [ -0.0037867300000000, 0.0066276600000000, -0.0069178000000000 ] - [ -0.0059591800000000, -0.0196148700000000, 0.0537658500000000 ] - [ -0.0053531000000000, 0.0004942200000000, 0.0089837000000000 ] - [ 0.0034252000000000, -0.0047591300000000, 0.0082795100000000 ] - [ 0.0008123200000000, 0.0007963000000000, -0.0028939000000000 ] - [ 0.0002953000000000, -0.0011049300000000, -0.0028975300000000 ] - [ -0.0010958900000000, 0.0003013600000000, -0.0028887700000000 ] - [ -0.0006689100000000, -0.0005644700000000, -0.0026792700000000 ] - [ 0.0007746100000000, -0.0002776500000000, -0.0026460200000000 ] - [ -0.0000923700000000, 0.0008677100000000, -0.0026666800000000 ] - [ 0.0040602900000000, -0.0007728500000000, -0.0012737400000000 ] - [ -0.0028226800000000, -0.0000850500000000, -0.0024857100000000 ] - [ -0.0028552600000000, 0.0007624500000000, -0.0007947200000000 ] - [ -0.0004779000000000, -0.0004955800000000, -0.0027703500000000 ] - [ 0.0005651400000000, -0.0002675200000000, -0.0029959500000000 ] - [ -0.0001432500000000, 0.0006317500000000, -0.0028073100000000 ] - [ -0.0043855900000000, 0.0007220600000000, -0.0052650400000000 ] - [ -0.0014458000000000, 0.0393992600000000, 0.0129674300000000 ] - [ -0.0018759600000000, 0.0011374100000000, 0.0001065700000000 ] - [ 0.0020119200000000, 0.0048683500000000, -0.0057250100000000 ] - [ -0.0013166100000000, -0.0021634400000000, 0.0008418300000000 ] - [ -0.0073003800000000, 0.0054383800000000, 0.0100781100000000 ] - [ 0.0012211400000000, 0.0005900300000000, 0.0006068000000000 ] - [ -0.0011909100000000, 0.0019375800000000, 0.0005685600000000 ] - [ 0.0028986600000000, -0.0003800400000000, 0.0008790100000000 ] - [ -0.0001546200000000, -0.0201002000000000, -0.0001398500000000 ] - [ -0.0183129800000000, -0.0340093700000000, -0.0992352300000000 ] - [ -0.0005093800000000, -0.0021330400000000, -0.0040531200000000 ] - [ 0.0048147900000000, 0.0079164000000000, 0.0076703000000000 ] - [ -0.0000185000000000, -0.0020806400000000, 0.0005106000000000 ] - [ 0.0090953200000000, -0.0046369600000000, 0.0134888800000000 ] - [ 0.0050491500000000, 0.0037277200000000, -0.0123841300000000 ] - [ 0.0021568700000000, -0.0020908900000000, -0.0026093100000000 ] - [ 0.0054629600000000, -0.0009870000000000, -0.0090655800000000 ] - [ 0.0014152000000000, 0.0002627700000000, -0.0037009200000000 ] - [ 0.0012544100000000, 0.0029338900000000, -0.0021185200000000 ] - [ 0.0000951000000000, -0.0001930600000000, 0.0017720400000000 ] - [ -0.0040174200000000, 0.0050043900000000, -0.0090732400000000 ] - [ -0.0005280600000000, -0.0001280500000000, 0.0029197000000000 ] - [ 0.0000012700000000, 0.0000701700000000, 0.0022974000000000 ] - [ 0.0006272200000000, -0.0003877600000000, 0.0012282000000000 ] - [ 0.0000053400000000, 0.0007801300000000, 0.0012779100000000 ] - [ -0.0001590100000000, -0.0001793300000000, 0.0008520200000000 ] - [ -0.0006239000000000, -0.0004076000000000, 0.0012419000000000 ] - [ -0.0001362300000000, -0.0012709500000000, 0.0011814200000000 ] - [ -0.0012654800000000, 0.0002023300000000, 0.0019260900000000 ] - [ -0.0000778300000000, 0.0002264500000000, 0.0008511200000000 ] - [ -0.0010396100000000, 0.0007608600000000, 0.0011866000000000 ] - [ 0.0011696400000000, 0.0005162400000000, 0.0011827900000000 ] - [ 0.0008295200000000, -0.0005743400000000, 0.0018178400000000 ] - [ 0.0000111300000000, 0.0011855400000000, 0.0010570700000000 ] - [ 0.0000795500000000, 0.0009938600000000, 0.0018014200000000 ] - [ 0.0008070100000000, 0.0009916100000000, 0.0019256900000000 ] - [ 0.0002360800000000, -0.0000496400000000, 0.0008522100000000 ] - [ 0.0004561700000000, -0.0011944400000000, 0.0019210800000000 ] - [ 0.0000231900000000, 0.0000662500000000, 0.0011485200000000 ] - [ -0.0000222300000000, -0.0000082400000000, 0.0011150800000000 ] - [ -0.0010057500000000, -0.0005879900000000, 0.0010526100000000 ] - [ -0.0009199500000000, -0.0004372000000000, 0.0018162500000000 ] - [ -0.0000101300000000, -0.0000386800000000, 0.0011608900000000 ] - [ -0.0001652200000000, -0.0007560800000000, 0.0015972500000000 ] - [ 0.0010055900000000, -0.0006019600000000, 0.0010693400000000 ] - [ -0.0005766200000000, 0.0005149600000000, 0.0015885900000000 ] - [ 0.0007383500000000, 0.0002453600000000, 0.0015955200000000 ] - [ 0.0007170400000000, -0.0003224200000000, 0.0013996700000000 ] - [ -0.0000770800000000, 0.0007789000000000, 0.0013820000000000 ] - [ -0.0018267300000000, 0.0004985600000000, 0.0019469800000000 ] - [ -0.0006426900000000, -0.0004842000000000, 0.0014688300000000 ] - [ -0.0011208600000000, -0.0009274300000000, 0.0009063100000000 ] - [ -0.0017000500000000, 0.0004052300000000, 0.0016553300000000 ] - [ 0.0015595300000000, -0.0004786200000000, 0.0021300500000000 ] - [ -0.0003304700000000, -0.0000275700000000, 0.0001483300000000 ] - [ 0.0025808800000000, 0.0010437500000000, 0.0018694200000000 ] - [ 0.0007789300000000, -0.0006843700000000, 0.0018719600000000 ] - [ -0.0000445100000000, 0.0011130300000000, 0.0010540600000000 ] - [ 0.0001826400000000, 0.0010951900000000, 0.0021280800000000 ] - [ 0.0011365000000000, 0.0009237300000000, 0.0017657700000000 ] - [ 0.0001272500000000, -0.0007340100000000, 0.0002348400000000 ] - [ 0.0005773100000000, -0.0011563400000000, 0.0013980000000000 ] - [ -0.0001088200000000, 0.0000391700000000, 0.0010714000000000 ] - [ 0.0000121500000000, -0.0000300300000000, 0.0011370200000000 ] - [ -0.0008811900000000, -0.0005652500000000, 0.0010674100000000 ] - [ -0.0009974300000000, -0.0004832400000000, 0.0019348800000000 ] - [ 0.0000431100000000, 0.0000703400000000, 0.0010854600000000 ] - [ 0.0020420100000000, -0.0002145300000000, 0.0002548300000000 ] - [ 0.0009845600000000, -0.0005047400000000, 0.0010496900000000 ] - [ 0.0009074900000000, -0.0001575100000000, -0.0007293400000000 ] - [ -0.0014372100000000, 0.0005533700000000, -0.0012606800000000 ]- atom: 47 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0027908200000000, -0.0062273300000000, -0.0013408400000000 ] - [ 0.0006612700000000, -0.0002152900000000, -0.0028145000000000 ] - [ 0.0000131800000000, -0.0000485600000000, 0.0010820400000000 ] - [ -0.0000011300000000, 0.0000056500000000, 0.0009811400000000 ] - [ 0.0000051600000000, 0.0000003500000000, 0.0012129100000000 ] - [ -0.0000770000000000, 0.0001288500000000, 0.0009013400000000 ] - [ -0.0076791100000000, -0.0148194700000000, -0.0377028000000000 ] - [ 0.0000109900000000, -0.0000094000000000, 0.0040267700000000 ] - [ -0.0000252400000000, 0.0001468200000000, 0.0037534400000000 ] - [ 0.0018684600000000, -0.0020937800000000, -0.0038746300000000 ] - [ 0.0001675900000000, -0.0001222100000000, 0.0025526100000000 ] - [ 0.0042216200000000, 0.0009488900000000, -0.0039560600000000 ] - [ -0.0000054800000000, -0.0000049700000000, 0.0028104500000000 ] - [ -0.0000123000000000, -0.0000286700000000, 0.0033796400000000 ] - [ -0.0000336600000000, 0.0003383400000000, 0.0042393600000000 ] - [ -0.0004733900000000, -0.0010779900000000, 0.0037514600000000 ] - [ -0.0054822300000000, 0.0088089100000000, 0.0028563300000000 ] - [ -0.0000225300000000, 0.0000345400000000, 0.0036301600000000 ] - [ -0.0059373400000000, -0.0009070100000000, 0.0061459900000000 ] - [ 0.0006450400000000, 0.0030392100000000, 0.0037401500000000 ] - [ 0.0029827800000000, -0.0057978800000000, 0.0065527600000000 ] - [ 0.0066543300000000, 0.0210701900000000, -0.0544391100000000 ] - [ 0.0049903200000000, -0.0003768700000000, -0.0093712100000000 ] - [ -0.0033267100000000, 0.0043271400000000, -0.0086667500000000 ] - [ 0.0001923900000000, -0.0004450400000000, 0.0026446600000000 ] - [ -0.0004767500000000, 0.0000592900000000, 0.0026475900000000 ] - [ 0.0003020500000000, 0.0003791100000000, 0.0026385000000000 ] - [ 0.0009326000000000, 0.0007531800000000, 0.0022401600000000 ] - [ -0.0010661300000000, 0.0004054900000000, 0.0022064400000000 ] - [ 0.0001351600000000, -0.0011943000000000, 0.0022260500000000 ] - [ -0.0030611000000000, 0.0011415200000000, 0.0010226000000000 ] - [ 0.0026737000000000, -0.0009471300000000, 0.0022276600000000 ] - [ 0.0020611000000000, -0.0001137800000000, 0.0005198500000000 ] - [ 0.0007441700000000, 0.0006788600000000, 0.0023618700000000 ] - [ -0.0008467000000000, 0.0003967600000000, 0.0025862600000000 ] - [ 0.0001772500000000, -0.0009568100000000, 0.0023940100000000 ] - [ 0.0043523900000000, -0.0012360500000000, 0.0047256800000000 ] - [ 0.0019287300000000, -0.0393328400000000, -0.0134600700000000 ] - [ 0.0012719800000000, -0.0008569800000000, -0.0003365100000000 ] - [ -0.0024597400000000, -0.0045844400000000, 0.0051917900000000 ] - [ 0.0014640700000000, 0.0003501000000000, -0.0004932700000000 ] - [ 0.0068709600000000, -0.0047979800000000, -0.0094045000000000 ] - [ -0.0006642300000000, -0.0002015700000000, -0.0008544000000000 ] - [ -0.0004469100000000, -0.0011522800000000, -0.0002247000000000 ] - [ -0.0014032300000000, 0.0014002500000000, -0.0005213100000000 ] - [ 0.0010001200000000, 0.0199488000000000, 0.0007365700000000 ] - [ 0.0159984000000000, 0.0320962300000000, 0.0983578100000000 ] - [ 0.0002471200000000, 0.0029873500000000, 0.0047849900000000 ] - [ -0.0041291600000000, -0.0078250200000000, -0.0070861200000000 ] - [ 0.0000560000000000, 0.0014031100000000, -0.0007527200000000 ] - [ -0.0091895500000000, 0.0040041000000000, -0.0126891600000000 ] - [ -0.0059510300000000, -0.0036565400000000, 0.0127095900000000 ] - [ -0.0014723900000000, 0.0011066600000000, 0.0028519400000000 ] - [ -0.0057132800000000, -0.0001488800000000, 0.0086746700000000 ] - [ -0.0020292300000000, -0.0008921300000000, 0.0044363600000000 ] - [ -0.0007084100000000, -0.0018278400000000, 0.0023557600000000 ] - [ 0.0003605300000000, -0.0002902200000000, -0.0018840400000000 ] - [ 0.0050100200000000, -0.0046244100000000, 0.0086671800000000 ] - [ -0.0001357900000000, -0.0000169800000000, -0.0030036100000000 ] - [ 0.0001912900000000, 0.0005635600000000, -0.0024099900000000 ] - [ -0.0006244500000000, -0.0001460000000000, -0.0017286200000000 ] - [ 0.0004598300000000, -0.0005161800000000, -0.0017815900000000 ] - [ -0.0004147600000000, 0.0004397600000000, -0.0010826700000000 ] - [ 0.0001633400000000, 0.0006711100000000, -0.0017430700000000 ] - [ 0.0002976300000000, -0.0005284100000000, -0.0008309700000000 ] - [ 0.0010052000000000, 0.0003427100000000, -0.0014411300000000 ] - [ 0.0005893800000000, 0.0001390800000000, -0.0010821300000000 ] - [ -0.0006062700000000, 0.0000071200000000, -0.0008367700000000 ] - [ 0.0003004400000000, 0.0005264600000000, -0.0008338300000000 ] - [ 0.0000372500000000, 0.0003801100000000, -0.0010515400000000 ] - [ -0.0008164800000000, -0.0004127200000000, -0.0013794000000000 ] - [ -0.0003459000000000, -0.0001475300000000, -0.0010359900000000 ] - [ -0.0002097800000000, -0.0010441600000000, -0.0014446900000000 ] - [ -0.0001750900000000, -0.0005781100000000, -0.0010828800000000 ] - [ -0.0008013200000000, 0.0007025500000000, -0.0014428200000000 ] - [ -0.0011911900000000, -0.0001490200000000, -0.0008928500000000 ] - [ 0.0006773500000000, -0.0009546400000000, -0.0008603900000000 ] - [ 0.0007370400000000, -0.0004957500000000, -0.0013760000000000 ] - [ 0.0003188800000000, -0.0002176600000000, -0.0010499200000000 ] - [ 0.0005169400000000, 0.0010877300000000, -0.0009077400000000 ] - [ 0.0006162000000000, 0.0002655100000000, -0.0017352900000000 ] - [ 0.0000587500000000, 0.0009201200000000, -0.0013941400000000 ] - [ -0.0000762000000000, -0.0006586200000000, -0.0017228800000000 ] - [ -0.0005411100000000, 0.0003919000000000, -0.0017357300000000 ] - [ -0.0007265500000000, -0.0002102700000000, -0.0019165200000000 ] - [ 0.0005466400000000, -0.0005247200000000, -0.0019035700000000 ] - [ 0.0012602900000000, -0.0002448600000000, -0.0021906300000000 ] - [ 0.0001869400000000, 0.0007584700000000, -0.0019871500000000 ] - [ 0.0012797600000000, -0.0008715800000000, -0.0005516000000000 ] - [ 0.0014423900000000, 0.0001357000000000, -0.0011708300000000 ] - [ -0.0010706600000000, 0.0008454900000000, -0.0023732300000000 ] - [ -0.0013166600000000, 0.0007883300000000, 0.0002029800000000 ] - [ -0.0011167700000000, 0.0000098000000000, -0.0015122400000000 ] - [ 0.0000809200000000, 0.0005050900000000, -0.0011258800000000 ] - [ -0.0007591300000000, -0.0003375500000000, -0.0013789300000000 ] - [ -0.0004572000000000, -0.0002623700000000, -0.0013830800000000 ] - [ -0.0005425300000000, -0.0009779300000000, -0.0012842000000000 ] - [ -0.0000595300000000, 0.0001269100000000, -0.0004665600000000 ] - [ -0.0009189500000000, 0.0006602100000000, -0.0009106700000000 ] - [ -0.0010625600000000, -0.0001219200000000, -0.0008183500000000 ] - [ 0.0006407800000000, -0.0009307600000000, -0.0008846200000000 ] - [ 0.0006086400000000, -0.0005208400000000, -0.0013928000000000 ] - [ 0.0004087300000000, -0.0001713400000000, -0.0011850400000000 ] - [ 0.0004672100000000, 0.0009824000000000, -0.0008351800000000 ] - [ -0.0016024300000000, -0.0002950800000000, -0.0003730900000000 ] - [ 0.0000834200000000, 0.0008198200000000, -0.0013758900000000 ] - [ -0.0015572100000000, 0.0000394300000000, 0.0006307600000000 ] - [ 0.0016385500000000, 0.0000796000000000, 0.0011211400000000 ]- atom: 52 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0007277600000000, -0.0026870800000000, 0.0030027000000000 ] - [ -0.0020183200000000, 0.0004660500000000, 0.0075115300000000 ] - [ -0.0000470200000000, 0.0002493700000000, -0.0006756200000000 ] - [ 0.0000026600000000, -0.0000053000000000, -0.0004576900000000 ] - [ 0.0000003400000000, 0.0000014800000000, -0.0004261800000000 ] - [ 0.0000349800000000, 0.0003425600000000, -0.0001825900000000 ] - [ -0.0072320600000000, -0.0188852400000000, -0.0093284300000000 ] - [ -0.0000120600000000, 0.0000498400000000, -0.0017042700000000 ] - [ -0.0011587000000000, 0.0000479700000000, -0.0023199700000000 ] - [ -0.0063927700000000, 0.0149206100000000, -0.0063544600000000 ] - [ -0.0002320700000000, -0.0000786900000000, 0.0004688400000000 ] - [ 0.0417809700000000, -0.0042102100000000, 0.0332576800000000 ] - [ 0.0000029800000000, 0.0000020200000000, -0.0013036400000000 ] - [ -0.0000015700000000, -0.0000332300000000, -0.0012369200000000 ] - [ 0.0002595800000000, -0.0002696200000000, -0.0013488600000000 ] - [ 0.0002111500000000, -0.0011241000000000, -0.0008294800000000 ] - [ -0.0043954900000000, 0.0137730500000000, 0.0098235400000000 ] - [ -0.0000088800000000, 0.0000511900000000, -0.0009327000000000 ] - [ 0.0035425600000000, 0.0019473900000000, -0.0017712200000000 ] - [ 0.0029410500000000, -0.0029535100000000, -0.0013347500000000 ] - [ -0.0052406100000000, -0.0013893500000000, -0.0022740100000000 ] - [ 0.3045166200000000, -0.0200767500000000, -0.0094968500000000 ] - [ -0.0107361300000000, 0.0181187600000000, 0.0005256700000000 ] - [ -0.0099831800000000, -0.0198273900000000, 0.0002728300000000 ] - [ 0.0006552600000000, 0.0004020300000000, -0.0011883500000000 ] - [ 0.0000238600000000, -0.0007644000000000, -0.0011840100000000 ] - [ -0.0006653900000000, 0.0003508000000000, -0.0011920700000000 ] - [ -0.0002731900000000, 0.0000209000000000, -0.0009979700000000 ] - [ 0.0000707700000000, -0.0001348900000000, -0.0010434900000000 ] - [ 0.0001664300000000, 0.0001298500000000, -0.0010758900000000 ] - [ -0.0044962400000000, -0.0015232500000000, -0.0022355500000000 ] - [ 0.0032819100000000, 0.0023270600000000, -0.0066670400000000 ] - [ 0.0047031000000000, -0.0029725100000000, -0.0073753500000000 ] - [ -0.0003003900000000, -0.0002641800000000, -0.0011988700000000 ] - [ 0.0005585600000000, 0.0000106900000000, -0.0009858600000000 ] - [ -0.0002609500000000, 0.0003452000000000, -0.0010921900000000 ] - [ 0.0054670900000000, 0.0010175600000000, 0.0022594200000000 ] - [ 0.0237874400000000, -0.0162973000000000, -0.0214242100000000 ] - [ -0.0004596500000000, -0.0003397900000000, -0.0001654200000000 ] - [ 0.0003061000000000, -0.0050138500000000, 0.0009039800000000 ] - [ -0.0011160000000000, -0.0021922600000000, -0.0008341400000000 ] - [ -0.0028372400000000, 0.0008612000000000, 0.0025653100000000 ] - [ -0.0013477000000000, -0.0005401200000000, 0.0011366700000000 ] - [ -0.0019207500000000, 0.0022177500000000, -0.0009441400000000 ] - [ 0.0033170700000000, 0.0005096200000000, -0.0006071600000000 ] - [ 0.0370979300000000, -0.0239847600000000, 0.0256411000000000 ] - [ 0.0356063200000000, 0.0302831700000000, 0.0053332400000000 ] - [ -0.0001708700000000, -0.0068992000000000, -0.0038171300000000 ] - [ 0.0014688000000000, 0.0031815200000000, 0.0022589700000000 ] - [ 0.0024648000000000, 0.0010691900000000, 0.0025995700000000 ] - [ 0.0016241700000000, 0.0001508300000000, 0.0019055000000000 ] - [ -0.4721959400000000, 0.0298609300000000, -0.0452270900000000 ] - [ 0.0211021800000000, -0.0259279400000000, -0.0009377200000000 ] - [ 0.0109937100000000, -0.0005476900000000, -0.0027294300000000 ] - [ 0.0083956000000000, 0.0013290500000000, -0.0056382900000000 ] - [ 0.0262958500000000, 0.0229042000000000, -0.0004400600000000 ] - [ -0.0003370600000000, -0.0000816800000000, 0.0006143000000000 ] - [ -0.0009097400000000, 0.0078161500000000, -0.0024697700000000 ] - [ -0.0001144700000000, 0.0006431300000000, 0.0011935200000000 ] - [ -0.0003112400000000, 0.0000574400000000, 0.0005010500000000 ] - [ -0.0000261200000000, -0.0002597700000000, 0.0000706600000000 ] - [ 0.0002790800000000, 0.0002238700000000, 0.0000771700000000 ] - [ -0.0002485800000000, 0.0000209100000000, 0.0002593900000000 ] - [ -0.0002363700000000, 0.0000592800000000, 0.0001207300000000 ] - [ -0.0000099600000000, -0.0010434900000000, 0.0005603100000000 ] - [ -0.0005820900000000, 0.0002445100000000, 0.0009014400000000 ] - [ 0.0001472900000000, 0.0002028900000000, 0.0002572100000000 ] - [ -0.0009004800000000, 0.0005312500000000, 0.0005571400000000 ] - [ 0.0009014100000000, 0.0005205700000000, 0.0005587300000000 ] - [ 0.0005919900000000, -0.0002949000000000, 0.0008890400000000 ] - [ -0.0002510100000000, 0.0005907500000000, 0.0003128200000000 ] - [ -0.0000404300000000, 0.0006456900000000, 0.0008944300000000 ] - [ 0.0005029900000000, 0.0003709500000000, 0.0008947900000000 ] - [ 0.0001041400000000, -0.0002239100000000, 0.0002591100000000 ] - [ 0.0000749300000000, -0.0006285100000000, 0.0008985600000000 ] - [ -0.0002817300000000, -0.0000120100000000, 0.0005302000000000 ] - [ 0.0001892800000000, -0.0002857700000000, 0.0004867800000000 ] - [ -0.0003701300000000, -0.0005581400000000, 0.0003364400000000 ] - [ -0.0005581400000000, -0.0003592700000000, 0.0009101100000000 ] - [ 0.0001067000000000, 0.0003213500000000, 0.0005007700000000 ] - [ 0.0000944700000000, -0.0004300500000000, 0.0005482000000000 ] - [ 0.0006307600000000, -0.0000701600000000, 0.0003822900000000 ] - [ -0.0004172300000000, 0.0001389000000000, 0.0005615500000000 ] - [ 0.0003212200000000, 0.0002874700000000, 0.0005519300000000 ] - [ 0.0003079300000000, -0.0003120900000000, 0.0003636200000000 ] - [ 0.0001243700000000, 0.0004185600000000, 0.0003991100000000 ] - [ 0.0006790800000000, 0.0004007100000000, -0.0005600800000000 ] - [ -0.0004207300000000, -0.0000795800000000, 0.0003150400000000 ] - [ 0.0024471400000000, 0.0002706700000000, -0.0012669100000000 ] - [ 0.0009620900000000, 0.0005555300000000, 0.0004393900000000 ] - [ -0.0018212400000000, -0.0001038900000000, 0.0003169200000000 ] - [ -0.0004393700000000, -0.0021431200000000, 0.0012751300000000 ] - [ -0.0030776500000000, 0.0003969500000000, -0.0002955900000000 ] - [ 0.0006750400000000, -0.0003010600000000, 0.0010440900000000 ] - [ -0.0001064900000000, 0.0007840100000000, 0.0004402600000000 ] - [ -0.0002090500000000, 0.0006619900000000, 0.0007267500000000 ] - [ 0.0005761500000000, 0.0004715000000000, 0.0023529500000000 ] - [ 0.0001847900000000, 0.0023468100000000, 0.0013154800000000 ] - [ -0.0001990700000000, -0.0006962600000000, 0.0026631200000000 ] - [ -0.0002837100000000, -0.0000415000000000, 0.0004428800000000 ] - [ 0.0001325100000000, -0.0003046500000000, 0.0003802700000000 ] - [ -0.0006613200000000, -0.0005821400000000, 0.0004527900000000 ] - [ -0.0004832900000000, -0.0002926800000000, 0.0008330400000000 ] - [ 0.0002018400000000, 0.0002817300000000, 0.0004557400000000 ] - [ -0.0031739100000000, -0.0073857700000000, 0.0100643000000000 ] - [ 0.0008707400000000, -0.0002266600000000, 0.0004172400000000 ] - [ -0.0051296000000000, 0.0088902900000000, 0.0140675000000000 ] - [ 0.0040453500000000, 0.0005640200000000, 0.0027105600000000 ]- atom: 52 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0007285900000000, 0.0026802700000000, -0.0028714100000000 ] - [ 0.0018471400000000, -0.0004507100000000, -0.0075277900000000 ] - [ 0.0000459800000000, -0.0002486300000000, 0.0007771000000000 ] - [ -0.0000033300000000, 0.0000049400000000, 0.0003363600000000 ] - [ -0.0000024500000000, -0.0000018400000000, 0.0005319500000000 ] - [ -0.0000356000000000, -0.0003402100000000, 0.0000642500000000 ] - [ 0.0072127700000000, 0.0187933900000000, 0.0091461900000000 ] - [ 0.0000133900000000, -0.0000463400000000, 0.0015864400000000 ] - [ 0.0011409300000000, -0.0000420700000000, 0.0021998700000000 ] - [ 0.0063871400000000, -0.0148539900000000, 0.0059541000000000 ] - [ 0.0002111100000000, 0.0000820900000000, -0.0003880600000000 ] - [ -0.0444764100000000, 0.0045578300000000, -0.0354578400000000 ] - [ -0.0000074400000000, 0.0000023600000000, 0.0009413300000000 ] - [ 0.0000022100000000, 0.0000342000000000, 0.0013090700000000 ] - [ -0.0002522700000000, 0.0002623300000000, 0.0018898700000000 ] - [ -0.0002085700000000, 0.0011150800000000, 0.0004753600000000 ] - [ 0.0043993600000000, -0.0137314900000000, -0.0096815000000000 ] - [ 0.0000090300000000, -0.0000531700000000, 0.0014884700000000 ] - [ -0.0025063800000000, -0.0015614400000000, 0.0014892800000000 ] - [ -0.0031048600000000, 0.0018626600000000, 0.0010496300000000 ] - [ 0.0044326700000000, 0.0020577000000000, 0.0019732300000000 ] - [ -0.2825630200000000, 0.0186333600000000, 0.0078751100000000 ] - [ 0.0104006600000000, -0.0179784700000000, -0.0008915100000000 ] - [ 0.0100153100000000, 0.0194898700000000, -0.0006382800000000 ] - [ 0.0003582800000000, -0.0000517700000000, 0.0009312900000000 ] - [ -0.0002101800000000, -0.0002890500000000, 0.0009262300000000 ] - [ -0.0001321800000000, 0.0003370500000000, 0.0009341000000000 ] - [ 0.0005451700000000, 0.0001813800000000, 0.0005691900000000 ] - [ -0.0003784200000000, 0.0002639200000000, 0.0006129100000000 ] - [ -0.0001162100000000, -0.0004727500000000, 0.0006445100000000 ] - [ 0.0054926500000000, 0.0018527000000000, 0.0019969800000000 ] - [ -0.0034212200000000, -0.0033300000000000, 0.0063471500000000 ] - [ -0.0054191700000000, 0.0036060400000000, 0.0070454300000000 ] - [ 0.0005704900000000, 0.0004592300000000, 0.0007978700000000 ] - [ -0.0008508200000000, 0.0001156600000000, 0.0005844900000000 ] - [ 0.0003018100000000, -0.0006800700000000, 0.0006873200000000 ] - [ -0.0054834200000000, -0.0015667300000000, -0.0028185100000000 ] - [ -0.0230273200000000, 0.0163587100000000, 0.0205991900000000 ] - [ -0.0001090400000000, 0.0005829600000000, -0.0000524700000000 ] - [ -0.0007584900000000, 0.0052928600000000, -0.0014581800000000 ] - [ 0.0012830700000000, 0.0003812300000000, 0.0011595900000000 ] - [ 0.0025281400000000, -0.0003252100000000, -0.0020508800000000 ] - [ 0.0018394800000000, 0.0009041600000000, -0.0013482300000000 ] - [ 0.0002775500000000, -0.0014390800000000, 0.0012722300000000 ] - [ -0.0018430900000000, 0.0005351500000000, 0.0009578800000000 ] - [ -0.0356388400000000, 0.0233781900000000, -0.0244054800000000 ] - [ -0.0358287400000000, -0.0290187100000000, -0.0056662100000000 ] - [ -0.0001034700000000, 0.0077181300000000, 0.0045535000000000 ] - [ -0.0008549100000000, -0.0031912000000000, -0.0017508400000000 ] - [ -0.0023870000000000, -0.0016798200000000, -0.0027914400000000 ] - [ -0.0019607800000000, -0.0006523800000000, -0.0014155400000000 ] - [ 0.4511511900000000, -0.0285551200000000, 0.0490148400000000 ] - [ -0.0206633100000000, 0.0252133500000000, 0.0012249200000000 ] - [ -0.0112382200000000, -0.0005207000000000, 0.0023777500000000 ] - [ -0.0089609200000000, -0.0019986300000000, 0.0063784700000000 ] - [ -0.0261492300000000, -0.0220728500000000, 0.0007368600000000 ] - [ 0.0007793000000000, -0.0004095300000000, -0.0007279700000000 ] - [ 0.0019703000000000, -0.0074884200000000, 0.0021162700000000 ] - [ -0.0005454800000000, -0.0007689900000000, -0.0012902100000000 ] - [ 0.0005054400000000, 0.0005758500000000, -0.0006223800000000 ] - [ 0.0000303500000000, -0.0002741100000000, -0.0005805500000000 ] - [ 0.0001862600000000, 0.0000420800000000, -0.0005907000000000 ] - [ -0.0003228500000000, 0.0002365200000000, -0.0004854800000000 ] - [ -0.0002252900000000, 0.0002023900000000, -0.0006301900000000 ] - [ 0.0001756400000000, -0.0007529100000000, -0.0002141000000000 ] - [ 0.0003220900000000, 0.0002996600000000, -0.0004177000000000 ] - [ 0.0003608600000000, 0.0001615100000000, -0.0004834900000000 ] - [ -0.0007445800000000, 0.0002318900000000, -0.0002112800000000 ] - [ 0.0005634800000000, 0.0005236200000000, -0.0002137400000000 ] - [ 0.0002686500000000, 0.0001038100000000, -0.0001271600000000 ] - [ -0.0005577500000000, 0.0001705500000000, -0.0006389200000000 ] - [ -0.0002258700000000, 0.0001935400000000, -0.0001328500000000 ] - [ 0.0000935900000000, -0.0004243000000000, -0.0004148900000000 ] - [ -0.0000421500000000, -0.0004006300000000, -0.0004851400000000 ] - [ -0.0004202100000000, 0.0001365700000000, -0.0004217700000000 ] - [ -0.0008761200000000, -0.0000743200000000, -0.0002763200000000 ] - [ 0.0004633400000000, -0.0006680800000000, -0.0002334100000000 ] - [ 0.0001134800000000, -0.0005241300000000, -0.0006633900000000 ] - [ -0.0000367800000000, -0.0002921700000000, -0.0001480300000000 ] - [ 0.0003934300000000, 0.0007219400000000, -0.0002496000000000 ] - [ 0.0003584600000000, -0.0000584000000000, -0.0006793800000000 ] - [ 0.0004254900000000, 0.0003976500000000, -0.0007100000000000 ] - [ -0.0002340700000000, -0.0002861700000000, -0.0006895900000000 ] - [ -0.0001276900000000, 0.0003496600000000, -0.0006853100000000 ] - [ -0.0003135600000000, -0.0002230300000000, -0.0008871200000000 ] - [ 0.0003450500000000, -0.0001604200000000, -0.0009270700000000 ] - [ -0.0012530400000000, -0.0001331700000000, 0.0003250300000000 ] - [ -0.0000384200000000, 0.0003516800000000, -0.0008402100000000 ] - [ -0.0022646700000000, -0.0020515700000000, 0.0015942400000000 ] - [ -0.0012098800000000, -0.0000098700000000, 0.0000374900000000 ] - [ 0.0023115100000000, 0.0004629700000000, -0.0005423700000000 ] - [ -0.0011993600000000, 0.0028659800000000, -0.0009259700000000 ] - [ 0.0045066800000000, 0.0006501900000000, 0.0006308500000000 ] - [ 0.0001803900000000, 0.0001227400000000, -0.0002988600000000 ] - [ -0.0006993900000000, -0.0000191200000000, -0.0007678200000000 ] - [ -0.0000660100000000, 0.0001662000000000, 0.0000159900000000 ] - [ 0.0000223300000000, -0.0005201400000000, -0.0018530400000000 ] - [ -0.0001241800000000, -0.0029392100000000, -0.0015316700000000 ] - [ -0.0001481400000000, 0.0001985200000000, -0.0021621600000000 ] - [ -0.0008765100000000, -0.0000452700000000, -0.0001912400000000 ] - [ 0.0005171600000000, -0.0006450600000000, -0.0001299400000000 ] - [ 0.0003994100000000, -0.0005019100000000, -0.0007802500000000 ] - [ -0.0001015200000000, -0.0003589700000000, -0.0000855600000000 ] - [ 0.0003004200000000, 0.0007622200000000, -0.0002072300000000 ] - [ 0.0036542900000000, 0.0068631200000000, -0.0101231900000000 ] - [ 0.0001910000000000, 0.0005493500000000, -0.0007462300000000 ] - [ 0.0045208200000000, -0.0089911000000000, -0.0140858000000000 ] - [ -0.0038045500000000, 0.0000764200000000, -0.0028366900000000 ]- atom: 52 displacement: [ -0.0050000000144975, 0.0086602540294743, 0.0000000000000000 ] forces: - [ -0.0000334000000000, 0.0005307000000000, -0.0003332800000000 ] - [ 0.0012090800000000, 0.0026326100000000, -0.0042099600000000 ] - [ 0.0000595200000000, -0.0002233400000000, 0.0004698300000000 ] - [ -0.0000034900000000, -0.0000000300000000, 0.0000771200000000 ] - [ 0.0000009000000000, 0.0000027900000000, 0.0002330000000000 ] - [ 0.0000923800000000, -0.0003386200000000, -0.0001089900000000 ] - [ 0.0004789900000000, 0.0025332500000000, -0.0012033700000000 ] - [ 0.0000001600000000, -0.0000437000000000, 0.0005750600000000 ] - [ 0.0006855300000000, 0.0013368800000000, 0.0008643000000000 ] - [ 0.0048911800000000, -0.0126483100000000, 0.0059701500000000 ] - [ 0.0002368300000000, 0.0007883300000000, -0.0004570700000000 ] - [ -0.0256298100000000, 0.0097318700000000, -0.0197594900000000 ] - [ -0.0000002400000000, 0.0000185600000000, 0.0002201100000000 ] - [ -0.0000094400000000, 0.0000119400000000, 0.0005030000000000 ] - [ -0.0003889200000000, 0.0000660000000000, 0.0007816200000000 ] - [ -0.0007360400000000, 0.0002464600000000, 0.0001829200000000 ] - [ 0.0038854100000000, -0.0119961700000000, -0.0071005500000000 ] - [ 0.0000176900000000, -0.0000448800000000, 0.0007002900000000 ] - [ -0.0001577100000000, -0.0015055500000000, -0.0011979400000000 ] - [ -0.0025200600000000, -0.0008138600000000, 0.0002744400000000 ] - [ 0.0023801000000000, 0.0033634600000000, 0.0000737100000000 ] - [ -0.1590303400000000, 0.0478844100000000, 0.0046090600000000 ] - [ 0.0055787800000000, -0.0160776800000000, 0.0001628700000000 ] - [ 0.0051460500000000, 0.0049508500000000, -0.0004117900000000 ] - [ 0.0004377200000000, 0.0000932400000000, 0.0002656200000000 ] - [ -0.0001285500000000, -0.0004249600000000, 0.0002639000000000 ] - [ -0.0002947300000000, 0.0003280600000000, 0.0002706000000000 ] - [ 0.0003322500000000, 0.0000280300000000, -0.0000306900000000 ] - [ -0.0001947100000000, 0.0000712100000000, 0.0001309500000000 ] - [ -0.0000828000000000, -0.0001930200000000, 0.0000731900000000 ] - [ 0.0038200800000000, 0.0020477200000000, 0.0010765600000000 ] - [ -0.0031172200000000, -0.0035068300000000, 0.0067356800000000 ] - [ -0.0024795600000000, 0.0003860800000000, 0.0008228500000000 ] - [ 0.0003052700000000, 0.0001902700000000, 0.0001638300000000 ] - [ -0.0004491200000000, 0.0002052800000000, 0.0001156800000000 ] - [ 0.0002003700000000, -0.0004014500000000, 0.0001006600000000 ] - [ -0.0031421100000000, 0.0001688600000000, -0.0015361800000000 ] - [ -0.0232199900000000, 0.0073102600000000, 0.0173089600000000 ] - [ -0.0006574000000000, 0.0010703200000000, -0.0000072000000000 ] - [ -0.0002003700000000, 0.0052029300000000, -0.0022605500000000 ] - [ 0.0004158000000000, -0.0004235700000000, 0.0016239900000000 ] - [ 0.0007585900000000, 0.0005526600000000, 0.0004703500000000 ] - [ 0.0015813100000000, 0.0010684600000000, -0.0009718500000000 ] - [ -0.0000517600000000, -0.0004219700000000, 0.0001956500000000 ] - [ -0.0006731700000000, 0.0001605200000000, 0.0007863400000000 ] - [ -0.0339547700000000, 0.0121660300000000, -0.0214750300000000 ] - [ 0.0057890800000000, -0.0064516500000000, 0.0002599000000000 ] - [ 0.0004255100000000, 0.0065411900000000, 0.0036390000000000 ] - [ 0.0009208800000000, 0.0004024600000000, 0.0004649600000000 ] - [ -0.0019719400000000, -0.0018881200000000, -0.0022989700000000 ] - [ -0.0004946700000000, -0.0019410500000000, 0.0008651400000000 ] - [ 0.2527007600000000, -0.0658375100000000, 0.0273073000000000 ] - [ -0.0189896800000000, 0.0188686000000000, -0.0000466400000000 ] - [ -0.0051966800000000, 0.0015886900000000, 0.0008205600000000 ] - [ -0.0050874000000000, 0.0000894800000000, 0.0031894900000000 ] - [ -0.0068365100000000, -0.0089347400000000, 0.0008314500000000 ] - [ 0.0007180200000000, -0.0000685700000000, -0.0004150800000000 ] - [ 0.0003317700000000, -0.0009747800000000, 0.0003117200000000 ] - [ -0.0004112200000000, -0.0007261000000000, -0.0004833600000000 ] - [ 0.0004676600000000, 0.0005233300000000, 0.0002632500000000 ] - [ 0.0000977800000000, -0.0003688600000000, -0.0002830300000000 ] - [ 0.0001155100000000, 0.0001720800000000, -0.0002103300000000 ] - [ -0.0002972000000000, 0.0001641100000000, -0.0002503900000000 ] - [ -0.0002281400000000, 0.0001520300000000, -0.0004428000000000 ] - [ 0.0001192200000000, -0.0008428300000000, 0.0000331000000000 ] - [ 0.0000417800000000, 0.0002838100000000, -0.0000053400000000 ] - [ 0.0002889700000000, 0.0001719200000000, -0.0002487400000000 ] - [ -0.0007918900000000, 0.0003244900000000, 0.0000344700000000 ] - [ 0.0006699700000000, 0.0005230700000000, 0.0000321200000000 ] - [ 0.0003693700000000, -0.0000187000000000, 0.0002224900000000 ] - [ -0.0004589000000000, 0.0003587400000000, -0.0003361700000000 ] - [ -0.0001761800000000, 0.0003382100000000, 0.0001763400000000 ] - [ 0.0002215700000000, -0.0001753400000000, -0.0000040800000000 ] - [ 0.0000057400000000, -0.0003414900000000, -0.0002492100000000 ] - [ -0.0002667100000000, -0.0000965000000000, -0.0000109400000000 ] - [ -0.0007308400000000, -0.0000351500000000, -0.0000222600000000 ] - [ 0.0003826000000000, -0.0005075200000000, 0.0000082300000000 ] - [ -0.0000497400000000, -0.0005129000000000, -0.0003802600000000 ] - [ -0.0002007700000000, -0.0003240700000000, 0.0001954800000000 ] - [ 0.0003102400000000, 0.0005521000000000, 0.0000197300000000 ] - [ 0.0002715800000000, -0.0001778400000000, -0.0002912700000000 ] - [ 0.0005305900000000, 0.0002110700000000, -0.0004015300000000 ] - [ -0.0002934500000000, -0.0001476700000000, -0.0002989000000000 ] - [ 0.0000173400000000, 0.0003302100000000, -0.0002955200000000 ] - [ -0.0001178300000000, -0.0002443100000000, -0.0004745000000000 ] - [ 0.0002731900000000, 0.0000187000000000, -0.0005085500000000 ] - [ -0.0006993800000000, -0.0002924500000000, 0.0000190700000000 ] - [ -0.0001563300000000, 0.0002035600000000, -0.0004774200000000 ] - [ -0.0018201800000000, -0.0018087500000000, 0.0014627400000000 ] - [ -0.0009095500000000, -0.0000941600000000, 0.0002410700000000 ] - [ 0.0020913300000000, 0.0006411400000000, -0.0010106600000000 ] - [ -0.0012184000000000, 0.0029632900000000, -0.0008991100000000 ] - [ 0.0024097100000000, 0.0010758300000000, 0.0010285000000000 ] - [ 0.0003787800000000, 0.0000801600000000, 0.0000672200000000 ] - [ -0.0005005800000000, 0.0001872000000000, -0.0003790100000000 ] - [ -0.0000825000000000, 0.0002001900000000, 0.0001345400000000 ] - [ -0.0001491200000000, -0.0009589900000000, -0.0022750800000000 ] - [ 0.0003087800000000, -0.0004293700000000, -0.0004169600000000 ] - [ 0.0002105200000000, -0.0007566800000000, 0.0006208500000000 ] - [ -0.0007060600000000, -0.0000207000000000, 0.0000170800000000 ] - [ 0.0004132000000000, -0.0005946000000000, 0.0000736000000000 ] - [ 0.0000805300000000, -0.0006499300000000, -0.0004323600000000 ] - [ -0.0002721900000000, -0.0003116800000000, 0.0002810400000000 ] - [ 0.0002497300000000, 0.0006401900000000, 0.0000139300000000 ] - [ 0.0014030600000000, 0.0055558200000000, -0.0109613300000000 ] - [ 0.0003426700000000, 0.0002850600000000, -0.0004042300000000 ] - [ 0.0031792900000000, -0.0026886000000000, -0.0005807300000000 ] - [ -0.0023809600000000, -0.0003091900000000, -0.0018779900000000 ]- atom: 52 displacement: [ 0.0050000000144975, -0.0086602540294743, 0.0000000000000000 ] forces: - [ 0.0000348400000000, -0.0005201800000000, 0.0004256100000000 ] - [ -0.0012709600000000, -0.0026273600000000, 0.0041125100000000 ] - [ -0.0000603800000000, 0.0002228400000000, -0.0003578500000000 ] - [ 0.0000031200000000, -0.0000003600000000, -0.0001931500000000 ] - [ -0.0000025800000000, -0.0000032300000000, -0.0001182700000000 ] - [ -0.0000924700000000, 0.0003385400000000, -0.0000060500000000 ] - [ -0.0004193900000000, -0.0024239300000000, 0.0011959700000000 ] - [ 0.0000011000000000, 0.0000469500000000, -0.0006700800000000 ] - [ -0.0006883100000000, -0.0013247100000000, -0.0009580900000000 ] - [ -0.0048960100000000, 0.0126764900000000, -0.0063598100000000 ] - [ -0.0002473200000000, -0.0007821400000000, 0.0005461100000000 ] - [ 0.0249102400000000, -0.0100511300000000, 0.0195741500000000 ] - [ -0.0000036500000000, -0.0000141300000000, -0.0005671900000000 ] - [ 0.0000102700000000, -0.0000109400000000, -0.0004133400000000 ] - [ 0.0003938100000000, -0.0000714200000000, -0.0002164600000000 ] - [ 0.0007339200000000, -0.0002489400000000, -0.0005286500000000 ] - [ -0.0038911400000000, 0.0120180500000000, 0.0071899000000000 ] - [ -0.0000171400000000, 0.0000425600000000, -0.0001265000000000 ] - [ 0.0011533800000000, 0.0018611700000000, 0.0009400100000000 ] - [ 0.0023539600000000, -0.0002358300000000, -0.0005311400000000 ] - [ -0.0031628000000000, -0.0027075000000000, -0.0003376100000000 ] - [ 0.1652070800000000, -0.0467710200000000, -0.0053721000000000 ] - [ -0.0058117700000000, 0.0161548200000000, -0.0005598700000000 ] - [ -0.0051332500000000, -0.0052782000000000, 0.0000092300000000 ] - [ 0.0005716200000000, 0.0002533900000000, -0.0005046800000000 ] - [ -0.0000582900000000, -0.0006229100000000, -0.0005036900000000 ] - [ -0.0004972500000000, 0.0003576100000000, -0.0005106200000000 ] - [ -0.0000563300000000, 0.0001741100000000, -0.0003855100000000 ] - [ -0.0001141100000000, 0.0000599000000000, -0.0005483600000000 ] - [ 0.0001304200000000, -0.0001525900000000, -0.0004929900000000 ] - [ -0.0028122500000000, -0.0017170200000000, -0.0013114000000000 ] - [ 0.0029314800000000, 0.0024620200000000, -0.0069696400000000 ] - [ 0.0017250000000000, 0.0002790900000000, -0.0010961400000000 ] - [ -0.0000320900000000, 0.0000073900000000, -0.0005524800000000 ] - [ 0.0001517700000000, -0.0000783900000000, -0.0005052000000000 ] - [ -0.0001563400000000, 0.0000628800000000, -0.0004941400000000 ] - [ 0.0031480000000000, -0.0007079200000000, 0.0010171300000000 ] - [ 0.0240413800000000, -0.0070306600000000, -0.0181245500000000 ] - [ 0.0000958300000000, -0.0008244000000000, -0.0002168300000000 ] - [ -0.0002650000000000, -0.0049238400000000, 0.0017307100000000 ] - [ -0.0002402600000000, -0.0013684600000000, -0.0012850600000000 ] - [ -0.0010049600000000, -0.0000128900000000, 0.0000001300000000 ] - [ -0.0010902800000000, -0.0007072100000000, 0.0007495800000000 ] - [ -0.0015884900000000, 0.0011782600000000, 0.0001376300000000 ] - [ 0.0021277500000000, 0.0008856600000000, -0.0004423800000000 ] - [ 0.0353851000000000, -0.0124228400000000, 0.0226703900000000 ] - [ -0.0069253800000000, 0.0070229000000000, -0.0006329300000000 ] - [ -0.0007062700000000, -0.0056993900000000, -0.0028869000000000 ] - [ -0.0003375200000000, -0.0004675200000000, -0.0000007000000000 ] - [ 0.0020451800000000, 0.0012787800000000, 0.0020917800000000 ] - [ 0.0001383400000000, 0.0014665900000000, -0.0004098700000000 ] - [ -0.2593240900000000, 0.0651314500000000, -0.0261631400000000 ] - [ 0.0192905900000000, -0.0195791800000000, 0.0003361500000000 ] - [ 0.0048583700000000, -0.0026788000000000, -0.0011410500000000 ] - [ 0.0045171000000000, -0.0007505800000000, -0.0024474300000000 ] - [ 0.0073183100000000, 0.0099080000000000, -0.0005477400000000 ] - [ -0.0002728400000000, -0.0004241600000000, 0.0002861600000000 ] - [ 0.0007451200000000, 0.0012714600000000, -0.0006414000000000 ] - [ -0.0002470900000000, 0.0005952900000000, 0.0003653500000000 ] - [ -0.0002698900000000, 0.0001133600000000, -0.0003981100000000 ] - [ -0.0000944600000000, -0.0001646400000000, -0.0002298500000000 ] - [ 0.0003494700000000, 0.0000912600000000, -0.0003079000000000 ] - [ -0.0002745000000000, 0.0000944500000000, 0.0000201000000000 ] - [ -0.0002319700000000, 0.0001116600000000, -0.0000723100000000 ] - [ 0.0000480200000000, -0.0009511600000000, 0.0003072900000000 ] - [ -0.0002914100000000, 0.0002602100000000, 0.0004771600000000 ] - [ 0.0002207400000000, 0.0001923300000000, 0.0000182200000000 ] - [ -0.0008519200000000, 0.0004365700000000, 0.0003055600000000 ] - [ 0.0007924700000000, 0.0005208400000000, 0.0003071400000000 ] - [ 0.0004891700000000, -0.0001696500000000, 0.0005306500000000 ] - [ -0.0003509600000000, 0.0004007900000000, 0.0000045900000000 ] - [ -0.0000908300000000, 0.0004977100000000, 0.0005764600000000 ] - [ 0.0003706100000000, 0.0001134100000000, 0.0004725300000000 ] - [ 0.0000557000000000, -0.0002842800000000, 0.0000189200000000 ] - [ -0.0000832100000000, -0.0003871400000000, 0.0004760900000000 ] - [ -0.0004287400000000, -0.0000514500000000, 0.0002708100000000 ] - [ 0.0002713400000000, -0.0004473100000000, 0.0002400300000000 ] - [ -0.0002044700000000, -0.0005697600000000, 0.0000474900000000 ] - [ -0.0003902600000000, -0.0003267000000000, 0.0005581700000000 ] - [ 0.0001914000000000, 0.0004929600000000, 0.0002262600000000 ] - [ 0.0001835400000000, -0.0003075000000000, 0.0001509300000000 ] - [ 0.0005257100000000, 0.0001181700000000, 0.0000682700000000 ] - [ -0.0003559300000000, -0.0000028200000000, 0.0001619200000000 ] - [ 0.0001733000000000, 0.0003070000000000, 0.0001528800000000 ] - [ 0.0001083900000000, -0.0002902000000000, -0.0000563900000000 ] - [ 0.0001980700000000, 0.0002356700000000, -0.0000268000000000 ] - [ 0.0001249200000000, 0.0005591500000000, -0.0002489300000000 ] - [ -0.0003000000000000, 0.0000714500000000, -0.0000548300000000 ] - [ 0.0019990500000000, 0.0000233100000000, -0.0011309900000000 ] - [ 0.0006578100000000, 0.0006392800000000, 0.0002353500000000 ] - [ -0.0015790800000000, -0.0002757900000000, 0.0007791700000000 ] - [ -0.0004231500000000, -0.0022056900000000, 0.0012369000000000 ] - [ -0.0009673100000000, -0.0000296800000000, -0.0006894600000000 ] - [ 0.0004749600000000, -0.0002560600000000, 0.0006698900000000 ] - [ -0.0003074800000000, 0.0005746800000000, 0.0000458300000000 ] - [ -0.0001918200000000, 0.0006253800000000, 0.0006014900000000 ] - [ 0.0007424800000000, 0.0008976600000000, 0.0027386000000000 ] - [ -0.0002489000000000, -0.0001853400000000, 0.0001929800000000 ] - [ -0.0005588900000000, 0.0002651000000000, -0.0001411000000000 ] - [ -0.0004555000000000, -0.0000662200000000, 0.0002303700000000 ] - [ 0.0002379800000000, -0.0003560600000000, 0.0001727300000000 ] - [ -0.0003383900000000, -0.0004345100000000, 0.0000986200000000 ] - [ -0.0003104100000000, -0.0003401800000000, 0.0004602700000000 ] - [ 0.0002528100000000, 0.0004048300000000, 0.0002302700000000 ] - [ -0.0009443200000000, -0.0059921100000000, 0.0107418500000000 ] - [ 0.0007163900000000, 0.0000402800000000, 0.0000695600000000 ] - [ -0.0038281300000000, 0.0025424600000000, 0.0004734200000000 ] - [ 0.0025905400000000, 0.0009479100000000, 0.0017404200000000 ]- atom: 52 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0001627900000000, -0.0002091300000000, 0.0021526200000000 ] - [ 0.0055019500000000, -0.0006416400000000, -0.0001336600000000 ] - [ -0.0000536800000000, 0.0000819600000000, -0.0007782000000000 ] - [ -0.0000028700000000, -0.0000019800000000, -0.0008322300000000 ] - [ -0.0000038900000000, 0.0000027200000000, -0.0008502600000000 ] - [ 0.0000756600000000, 0.0000310700000000, -0.0008032200000000 ] - [ -0.0013804900000000, -0.0011640600000000, 0.0052357600000000 ] - [ -0.0000167200000000, 0.0000400000000000, -0.0031948200000000 ] - [ -0.0009969900000000, 0.0004923700000000, -0.0035081500000000 ] - [ -0.0032980800000000, 0.0071482300000000, -0.0024908100000000 ] - [ 0.0010471900000000, -0.0001469200000000, -0.0034618800000000 ] - [ 0.0390463000000000, -0.0039838700000000, 0.0533417500000000 ] - [ 0.0000220700000000, -0.0000024300000000, -0.0024849500000000 ] - [ 0.0000037900000000, -0.0000086800000000, -0.0024808000000000 ] - [ -0.0000352700000000, 0.0000931900000000, -0.0019178300000000 ] - [ 0.0000231000000000, -0.0006185000000000, -0.0019491500000000 ] - [ 0.0021482700000000, -0.0053552300000000, 0.0008037700000000 ] - [ 0.0000060200000000, -0.0000007800000000, -0.0022590000000000 ] - [ -0.0010589800000000, -0.0024101300000000, -0.0011467900000000 ] - [ 0.0003980800000000, 0.0028725800000000, -0.0009160700000000 ] - [ -0.0005981600000000, -0.0018241600000000, -0.0002228700000000 ] - [ -0.0143821400000000, 0.0019940500000000, 0.0569089400000000 ] - [ -0.0022358800000000, 0.0012966800000000, 0.0061442700000000 ] - [ 0.0001674600000000, -0.0026454600000000, 0.0068518200000000 ] - [ 0.0007527200000000, 0.0006546900000000, -0.0022385900000000 ] - [ 0.0001927100000000, -0.0009781800000000, -0.0022342900000000 ] - [ -0.0009341300000000, 0.0003166600000000, -0.0022352900000000 ] - [ -0.0002486800000000, -0.0004604900000000, -0.0021683900000000 ] - [ 0.0005275200000000, 0.0000525200000000, -0.0022095500000000 ] - [ -0.0004125300000000, 0.0003942600000000, -0.0023822700000000 ] - [ 0.0010814900000000, 0.0011065200000000, -0.0000082700000000 ] - [ 0.0024756800000000, 0.0015711600000000, -0.0054161600000000 ] - [ 0.0017140700000000, -0.0027508700000000, -0.0068118300000000 ] - [ -0.0003871300000000, -0.0004923800000000, -0.0021171800000000 ] - [ 0.0006950700000000, 0.0000114700000000, -0.0020618700000000 ] - [ -0.0002980000000000, 0.0005297000000000, -0.0020429300000000 ] - [ -0.0031725500000000, 0.0002218800000000, -0.0044181800000000 ] - [ -0.0210495100000000, 0.0106665100000000, 0.0030145300000000 ] - [ -0.0002149100000000, 0.0006381300000000, -0.0001877500000000 ] - [ 0.0010180700000000, 0.0024525100000000, -0.0042421100000000 ] - [ 0.0002058200000000, 0.0006409300000000, 0.0023824500000000 ] - [ 0.0014539000000000, 0.0010722500000000, -0.0005992200000000 ] - [ -0.0001350800000000, -0.0006981000000000, 0.0004213800000000 ] - [ -0.0012458500000000, -0.0010340700000000, 0.0022167200000000 ] - [ 0.0001011000000000, 0.0008388700000000, 0.0004846900000000 ] - [ 0.0320301600000000, -0.0167003100000000, 0.0096119000000000 ] - [ 0.0014609100000000, 0.0013346200000000, -0.0127451700000000 ] - [ -0.0008784300000000, -0.0022786700000000, -0.0029101900000000 ] - [ -0.0004050100000000, -0.0016280600000000, -0.0009970700000000 ] - [ 0.0010222800000000, 0.0007253700000000, 0.0011785100000000 ] - [ -0.0004125300000000, 0.0011614700000000, -0.0010101500000000 ] - [ -0.0458025200000000, 0.0036179700000000, -0.1146533900000000 ] - [ 0.0001997900000000, -0.0011713300000000, -0.0039775600000000 ] - [ 0.0018480000000000, -0.0002127200000000, -0.0023988900000000 ] - [ 0.0034307300000000, -0.0006706500000000, -0.0035003400000000 ] - [ 0.0000415900000000, 0.0018519200000000, -0.0039775200000000 ] - [ -0.0001285200000000, -0.0012106000000000, 0.0009975800000000 ] - [ -0.0004109800000000, 0.0016719700000000, -0.0028932300000000 ] - [ -0.0005547200000000, 0.0005738000000000, 0.0006820000000000 ] - [ 0.0008379700000000, 0.0005812400000000, 0.0009179200000000 ] - [ 0.0007441100000000, -0.0002898500000000, 0.0013061400000000 ] - [ -0.0001353600000000, 0.0007063100000000, 0.0010659000000000 ] - [ -0.0001905000000000, -0.0001092400000000, 0.0006323300000000 ] - [ -0.0006576400000000, -0.0003955100000000, 0.0011135800000000 ] - [ -0.0000857900000000, -0.0011845800000000, 0.0009327100000000 ] - [ -0.0009987600000000, 0.0002141300000000, 0.0015271500000000 ] - [ 0.0000037100000000, 0.0002173400000000, 0.0006277400000000 ] - [ -0.0009853800000000, 0.0006698600000000, 0.0009317700000000 ] - [ 0.0010645500000000, 0.0005210100000000, 0.0009331300000000 ] - [ 0.0006967400000000, -0.0004392600000000, 0.0014831700000000 ] - [ -0.0001200800000000, 0.0009777000000000, 0.0007786100000000 ] - [ 0.0000321800000000, 0.0008269800000000, 0.0014975500000000 ] - [ 0.0006880000000000, 0.0007527900000000, 0.0015240100000000 ] - [ 0.0001856700000000, -0.0001104700000000, 0.0006300700000000 ] - [ 0.0003108700000000, -0.0009747300000000, 0.0015237900000000 ] - [ -0.0002612400000000, 0.0000143800000000, 0.0008390500000000 ] - [ 0.0001050300000000, -0.0002206400000000, 0.0008403400000000 ] - [ -0.0008144200000000, -0.0006200900000000, 0.0007934200000000 ] - [ -0.0007409600000000, -0.0003777200000000, 0.0015518900000000 ] - [ 0.0001988200000000, 0.0002569900000000, 0.0008373100000000 ] - [ -0.0000628600000000, -0.0006310400000000, 0.0011995300000000 ] - [ 0.0009704600000000, -0.0004241500000000, 0.0008439100000000 ] - [ -0.0005147000000000, 0.0003707600000000, 0.0012009400000000 ] - [ 0.0005751300000000, 0.0002615700000000, 0.0012001000000000 ] - [ 0.0005748000000000, -0.0003236500000000, 0.0009701100000000 ] - [ -0.0000052000000000, 0.0006563300000000, 0.0009878800000000 ] - [ -0.0004352400000000, 0.0000467400000000, -0.0002389800000000 ] - [ -0.0005710300000000, -0.0003354500000000, 0.0009676900000000 ] - [ -0.0007463200000000, -0.0013517600000000, 0.0007173600000000 ] - [ -0.0002692900000000, 0.0000963700000000, 0.0006026900000000 ] - [ -0.0007389700000000, -0.0001492300000000, 0.0003567100000000 ] - [ -0.0006773800000000, -0.0013233000000000, 0.0008678000000000 ] - [ -0.0000664300000000, 0.0011696400000000, 0.0010120900000000 ] - [ 0.0007663900000000, -0.0004263800000000, 0.0014830100000000 ] - [ -0.0000088800000000, 0.0010086700000000, 0.0008527200000000 ] - [ -0.0000866200000000, 0.0007479000000000, 0.0013035600000000 ] - [ 0.0006066800000000, 0.0005385400000000, 0.0020436500000000 ] - [ 0.0005947700000000, 0.0025413800000000, 0.0011883000000000 ] - [ 0.0004440300000000, -0.0013697600000000, 0.0030893700000000 ] - [ -0.0001762000000000, 0.0000186200000000, 0.0008386900000000 ] - [ 0.0000542700000000, -0.0001961900000000, 0.0008374000000000 ] - [ -0.0008807600000000, -0.0006451100000000, 0.0008659500000000 ] - [ -0.0007173400000000, -0.0003270300000000, 0.0013968600000000 ] - [ 0.0001325600000000, 0.0001729100000000, 0.0008381900000000 ] - [ 0.0007158100000000, -0.0055664300000000, 0.0070789100000000 ] - [ 0.0010016100000000, -0.0004417300000000, 0.0008193700000000 ] - [ 0.0006508800000000, 0.0077678300000000, 0.0128385800000000 ] - [ 0.0008922200000000, 0.0002387200000000, -0.0010105700000000 ]- atom: 52 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0001616200000000, 0.0002241700000000, -0.0020699400000000 ] - [ -0.0056078800000000, 0.0006547900000000, 0.0001089500000000 ] - [ 0.0000527900000000, -0.0000832900000000, 0.0008952600000000 ] - [ 0.0000022000000000, 0.0000019800000000, 0.0007153200000000 ] - [ 0.0000026500000000, -0.0000029200000000, 0.0009662900000000 ] - [ -0.0000769600000000, -0.0000331600000000, 0.0006845800000000 ] - [ 0.0014151900000000, 0.0012757100000000, -0.0052374000000000 ] - [ 0.0000176800000000, -0.0000367000000000, 0.0031096700000000 ] - [ 0.0010076300000000, -0.0004904200000000, 0.0034287300000000 ] - [ 0.0033298200000000, -0.0072111000000000, 0.0021665400000000 ] - [ -0.0010459100000000, 0.0001522700000000, 0.0035448100000000 ] - [ -0.0410451400000000, 0.0042223100000000, -0.0537916100000000 ] - [ -0.0000261700000000, 0.0000071600000000, 0.0021431700000000 ] - [ -0.0000032000000000, 0.0000103800000000, 0.0025784900000000 ] - [ 0.0000370500000000, -0.0000951500000000, 0.0024927300000000 ] - [ -0.0000251400000000, 0.0006295000000000, 0.0016085200000000 ] - [ -0.0021296400000000, 0.0052945500000000, -0.0007892900000000 ] - [ -0.0000056900000000, -0.0000015100000000, 0.0028381900000000 ] - [ 0.0020446700000000, 0.0027335100000000, 0.0008923400000000 ] - [ -0.0005966200000000, -0.0038941800000000, 0.0006615700000000 ] - [ -0.0001600900000000, 0.0025054400000000, -0.0000270200000000 ] - [ 0.0129085600000000, -0.0015861300000000, -0.0569956400000000 ] - [ 0.0019800300000000, -0.0011985600000000, -0.0065591200000000 ] - [ -0.0001203000000000, 0.0023355600000000, -0.0072685500000000 ] - [ 0.0002549800000000, -0.0003089000000000, 0.0020048700000000 ] - [ -0.0003802800000000, -0.0000676200000000, 0.0019997500000000 ] - [ 0.0001436600000000, 0.0003689800000000, 0.0020006900000000 ] - [ 0.0005261300000000, 0.0006619100000000, 0.0017558200000000 ] - [ -0.0008363100000000, 0.0000804900000000, 0.0017958300000000 ] - [ 0.0004566800000000, -0.0007401100000000, 0.0019650100000000 ] - [ -0.0000501500000000, -0.0007559800000000, -0.0002352000000000 ] - [ -0.0026796100000000, -0.0026388000000000, 0.0052247400000000 ] - [ -0.0025334800000000, 0.0034477900000000, 0.0066184600000000 ] - [ 0.0006635800000000, 0.0006903900000000, 0.0017346700000000 ] - [ -0.0009962700000000, 0.0001165100000000, 0.0016762300000000 ] - [ 0.0003415700000000, -0.0008700800000000, 0.0016543200000000 ] - [ 0.0031676100000000, -0.0007575000000000, 0.0039025000000000 ] - [ 0.0216699800000000, -0.0104886600000000, -0.0035121600000000 ] - [ -0.0003539600000000, -0.0003763200000000, -0.0000407600000000 ] - [ -0.0014859300000000, -0.0021717300000000, 0.0037273800000000 ] - [ -0.0000312000000000, -0.0024136100000000, -0.0020233400000000 ] - [ -0.0016925000000000, -0.0005270200000000, 0.0010624500000000 ] - [ 0.0006500600000000, 0.0010636800000000, -0.0006555300000000 ] - [ -0.0003942000000000, 0.0017722600000000, -0.0018615000000000 ] - [ 0.0013366900000000, 0.0002066300000000, -0.0001409300000000 ] - [ -0.0309828200000000, 0.0163861700000000, -0.0088659100000000 ] - [ -0.0024974100000000, -0.0007196000000000, 0.0123443900000000 ] - [ 0.0006020700000000, 0.0031285800000000, 0.0036629500000000 ] - [ 0.0009930900000000, 0.0015570600000000, 0.0014575900000000 ] - [ -0.0009693300000000, -0.0013512400000000, -0.0014117900000000 ] - [ 0.0000558100000000, -0.0016499400000000, 0.0014666200000000 ] - [ 0.0484557300000000, -0.0037136100000000, 0.1157302700000000 ] - [ 0.0004012200000000, 0.0002989600000000, 0.0042648700000000 ] - [ -0.0021508600000000, -0.0008806600000000, 0.0020712200000000 ] - [ -0.0040265700000000, 0.0000166900000000, 0.0042551100000000 ] - [ 0.0004293400000000, -0.0008639600000000, 0.0042647900000000 ] - [ 0.0005786800000000, 0.0007136900000000, -0.0011261200000000 ] - [ 0.0014806300000000, -0.0013737800000000, 0.0025636200000000 ] - [ -0.0001039500000000, -0.0007116200000000, -0.0008064400000000 ] - [ -0.0006369500000000, 0.0000594000000000, -0.0010512200000000 ] - [ -0.0007401200000000, -0.0002438600000000, -0.0018187100000000 ] - [ 0.0005994200000000, -0.0004432700000000, -0.0015857400000000 ] - [ -0.0003821600000000, 0.0003694500000000, -0.0008643700000000 ] - [ 0.0001959600000000, 0.0006606700000000, -0.0016303700000000 ] - [ 0.0002534500000000, -0.0006080500000000, -0.0005937800000000 ] - [ 0.0007496900000000, 0.0003305600000000, -0.0010581600000000 ] - [ 0.0005071000000000, 0.0001470700000000, -0.0008600900000000 ] - [ -0.0006581200000000, 0.0000901900000000, -0.0005930600000000 ] - [ 0.0003961600000000, 0.0005234100000000, -0.0005952900000000 ] - [ 0.0001603100000000, 0.0002508700000000, -0.0007322800000000 ] - [ -0.0006913800000000, -0.0002197800000000, -0.0011147100000000 ] - [ -0.0002986100000000, 0.0000086500000000, -0.0007469200000000 ] - [ -0.0000961800000000, -0.0008149300000000, -0.0010582300000000 ] - [ -0.0001252900000000, -0.0005164100000000, -0.0008622600000000 ] - [ -0.0006615400000000, 0.0004917500000000, -0.0010612300000000 ] - [ -0.0008999400000000, -0.0001019800000000, -0.0005923100000000 ] - [ 0.0005500600000000, -0.0007339900000000, -0.0005934400000000 ] - [ 0.0005615200000000, -0.0004620600000000, -0.0011308500000000 ] - [ 0.0001499700000000, -0.0002714200000000, -0.0008002400000000 ] - [ 0.0003028400000000, 0.0007897700000000, -0.0005926400000000 ] - [ 0.0005181000000000, 0.0001457800000000, -0.0013412700000000 ] - [ 0.0000854300000000, 0.0007548800000000, -0.0011817100000000 ] - [ -0.0001351000000000, -0.0005212000000000, -0.0013396900000000 ] - [ -0.0003849300000000, 0.0003766100000000, -0.0013443800000000 ] - [ -0.0005863200000000, -0.0002105400000000, -0.0015043700000000 ] - [ 0.0004772900000000, -0.0004034200000000, -0.0015270600000000 ] - [ -0.0001398300000000, 0.0002100100000000, 0.0000157100000000 ] - [ 0.0001153300000000, 0.0006122200000000, -0.0015030200000000 ] - [ 0.0009089700000000, -0.0004406600000000, -0.0003657300000000 ] - [ 0.0000027600000000, 0.0004470500000000, -0.0001190900000000 ] - [ 0.0012549300000000, 0.0005166300000000, -0.0005886300000000 ] - [ -0.0009682000000000, 0.0021031300000000, -0.0005337500000000 ] - [ 0.0015456500000000, -0.0001258900000000, -0.0006681800000000 ] - [ 0.0000839900000000, 0.0002516600000000, -0.0007512600000000 ] - [ -0.0008029700000000, -0.0002500200000000, -0.0011927100000000 ] - [ -0.0001860000000000, 0.0000767400000000, -0.0005688200000000 ] - [ -0.0000134400000000, -0.0005968000000000, -0.0015858000000000 ] - [ -0.0005370800000000, -0.0031978200000000, -0.0014325300000000 ] - [ -0.0007927900000000, 0.0008877700000000, -0.0026434700000000 ] - [ -0.0009863900000000, -0.0001054300000000, -0.0005925400000000 ] - [ 0.0005976300000000, -0.0007536200000000, -0.0005919800000000 ] - [ 0.0006281900000000, -0.0004378200000000, -0.0012066300000000 ] - [ 0.0001362200000000, -0.0003245700000000, -0.0006592700000000 ] - [ 0.0003691900000000, 0.0008730500000000, -0.0005953600000000 ] - [ -0.0002783400000000, 0.0052056200000000, -0.0073514800000000 ] - [ 0.0000541600000000, 0.0007714900000000, -0.0011601500000000 ] - [ -0.0013347100000000, -0.0081120400000000, -0.0132246200000000 ] - [ -0.0007045100000000, 0.0003978900000000, 0.0008726100000000 ]- atom: 57 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000152300000000, -0.0000215500000000, 0.0003237000000000 ] - [ -0.0000463300000000, -0.0003391500000000, -0.0004164800000000 ] - [ -0.0028983500000000, -0.0003845000000000, -0.0022569700000000 ] - [ 0.0004266600000000, -0.0006396100000000, 0.0006680100000000 ] - [ 0.0000049600000000, 0.0000133400000000, 0.0004110900000000 ] - [ -0.0000049000000000, 0.0000002000000000, 0.0002546800000000 ] - [ 0.0024246200000000, 0.0010205800000000, -0.0016872600000000 ] - [ -0.0022511400000000, -0.0005873500000000, -0.0003734300000000 ] - [ 0.0000093700000000, 0.0000052200000000, 0.0012013500000000 ] - [ -0.0118037200000000, 0.0008129500000000, 0.0061902900000000 ] - [ 0.0012346700000000, 0.0010740700000000, -0.0029221300000000 ] - [ 0.0001038800000000, 0.0001093400000000, 0.0011923400000000 ] - [ 0.0005865200000000, 0.0010043000000000, 0.0009512300000000 ] - [ 0.0000518000000000, -0.0000841700000000, 0.0011380300000000 ] - [ 0.0232539100000000, 0.0331371700000000, -0.0210569200000000 ] - [ 0.0000027400000000, -0.0000014300000000, 0.0007129000000000 ] - [ -0.0002429000000000, 0.0000468900000000, 0.0011911300000000 ] - [ -0.0000050700000000, -0.0000035800000000, 0.0012447500000000 ] - [ -0.0069962100000000, 0.0030533100000000, -0.0118973300000000 ] - [ 0.0623482400000000, 0.0382094700000000, -0.0683652300000000 ] - [ -0.0011047600000000, -0.0032198400000000, -0.0046703200000000 ] - [ 0.0010893600000000, -0.0013758000000000, 0.0020132900000000 ] - [ 0.0010052300000000, 0.0013724500000000, 0.0020201800000000 ] - [ -0.0001286900000000, -0.0001655000000000, 0.0003048700000000 ] - [ 0.0009379400000000, 0.0000746500000000, 0.0004588400000000 ] - [ -0.0004362300000000, -0.0005208800000000, 0.0004956100000000 ] - [ -0.0005913500000000, 0.0004462400000000, 0.0005554200000000 ] - [ 0.0013001000000000, 0.0020859600000000, -0.0031059600000000 ] - [ -0.0051521400000000, 0.0062570000000000, 0.0014355100000000 ] - [ -0.0006987000000000, -0.0024828600000000, -0.0014588700000000 ] - [ 0.0003875500000000, -0.0000473100000000, 0.0006777900000000 ] - [ -0.0002423200000000, -0.0003414700000000, 0.0007119800000000 ] - [ -0.0001011100000000, 0.0003657400000000, 0.0007002800000000 ] - [ 0.0002939200000000, 0.0003205100000000, 0.0005978100000000 ] - [ -0.0004177800000000, 0.0001025900000000, 0.0005767500000000 ] - [ 0.0001243900000000, -0.0004164700000000, 0.0005751100000000 ] - [ -0.0000279900000000, -0.0002648600000000, -0.0005623800000000 ] - [ 0.0003342000000000, 0.0000301600000000, -0.0012160600000000 ] - [ 0.0045776200000000, -0.0040147100000000, 0.0018782200000000 ] - [ -0.0002447400000000, 0.0002152200000000, -0.0011325700000000 ] - [ 0.0020075400000000, 0.0000138000000000, 0.0022894200000000 ] - [ -0.0013041300000000, 0.0000363400000000, 0.0032557700000000 ] - [ 0.0362567300000000, 0.0189178600000000, -0.0322958100000000 ] - [ -0.0099151700000000, -0.0010236700000000, 0.0014590700000000 ] - [ 0.0012386000000000, 0.0008972900000000, 0.0013252000000000 ] - [ 0.0000788300000000, 0.0024692300000000, -0.0029639300000000 ] - [ -0.0004434600000000, 0.0013007800000000, -0.0002970300000000 ] - [ -0.0006332100000000, -0.0018436400000000, -0.0026849900000000 ] - [ -0.0096001100000000, -0.0008632500000000, 0.0010705200000000 ] - [ 0.0035644600000000, 0.0040412000000000, 0.0015006900000000 ] - [ -0.0000222000000000, -0.0003462600000000, 0.0013089000000000 ] - [ -0.0011382500000000, 0.0002061500000000, -0.0002286800000000 ] - [ 0.0004278400000000, -0.0012399900000000, -0.0003205600000000 ] - [ -0.0009915200000000, -0.0006596900000000, -0.0000141900000000 ] - [ 0.0002054800000000, -0.0004461200000000, 0.0003076400000000 ] - [ 0.0002430900000000, 0.0005449200000000, -0.0000183400000000 ] - [ -0.1037801000000000, -0.0953758700000000, 0.1253821100000000 ] - [ 0.0002794400000000, -0.0000351100000000, -0.0003289400000000 ] - [ -0.0034394500000000, 0.0040410300000000, 0.0042462400000000 ] - [ 0.0114912400000000, 0.0045772400000000, 0.0067140000000000 ] - [ 0.0001311200000000, 0.0008892400000000, 0.0006945900000000 ] - [ 0.0004704900000000, -0.0008539300000000, 0.0005940000000000 ] - [ -0.0004928400000000, 0.0002326200000000, -0.0004299800000000 ] - [ 0.0018996600000000, -0.0055903900000000, -0.0013453900000000 ] - [ -0.0000267600000000, -0.0008431800000000, -0.0002183400000000 ] - [ -0.0000167200000000, 0.0003005900000000, 0.0000855200000000 ] - [ 0.0005173800000000, 0.0001097700000000, -0.0004793500000000 ] - [ -0.0007789400000000, 0.0003630900000000, -0.0000888000000000 ] - [ 0.0007890900000000, 0.0005660900000000, -0.0002690900000000 ] - [ 0.0001141200000000, -0.0005038100000000, 0.0007540100000000 ] - [ 0.0002940500000000, 0.0000621800000000, 0.0016614100000000 ] - [ -0.0003892700000000, -0.0016661700000000, -0.0013954300000000 ] - [ 0.0004796500000000, -0.0000464400000000, 0.0000781600000000 ] - [ 0.0000255100000000, -0.0003837200000000, -0.0003197000000000 ] - [ 0.0000237900000000, -0.0002077700000000, 0.0000945900000000 ] - [ -0.0039647900000000, -0.0006672400000000, 0.0006396100000000 ] - [ 0.0051123800000000, -0.0038151400000000, -0.0071789400000000 ] - [ 0.0029102700000000, -0.0009012300000000, -0.0006952300000000 ] - [ -0.0004293200000000, -0.0001695800000000, 0.0006098400000000 ] - [ 0.0009477900000000, 0.0021395200000000, -0.0003529000000000 ] - [ 0.0003638800000000, -0.0000636600000000, -0.0005177900000000 ] - [ 0.0008391800000000, 0.0008990800000000, 0.0008070800000000 ] - [ -0.0002109800000000, -0.0002657000000000, -0.0005108900000000 ] - [ -0.0001615800000000, 0.0003314000000000, -0.0005072800000000 ] - [ -0.0002391900000000, -0.0002470400000000, -0.0007755500000000 ] - [ 0.0003423800000000, -0.0000871100000000, -0.0007992400000000 ] - [ -0.0003216300000000, 0.0002341300000000, -0.0003905700000000 ] - [ -0.0001016600000000, 0.0003382200000000, -0.0007759600000000 ] - [ 0.0001791300000000, -0.0007750900000000, -0.0001314800000000 ] - [ 0.0002155700000000, 0.0002975800000000, -0.0002604100000000 ] - [ 0.0003697800000000, 0.0001736100000000, -0.0003944200000000 ] - [ -0.0007333300000000, 0.0002586200000000, -0.0001368900000000 ] - [ 0.0005506500000000, 0.0005234000000000, -0.0001607200000000 ] - [ 0.0003169700000000, 0.0000514500000000, -0.0000701600000000 ] - [ -0.0005176100000000, 0.0001378500000000, -0.0005519400000000 ] - [ -0.0002010600000000, 0.0002512700000000, -0.0000629800000000 ] - [ 0.0001441400000000, -0.0003403900000000, -0.0002736200000000 ] - [ -0.0000526700000000, -0.0004088200000000, -0.0003908400000000 ] - [ -0.0003787700000000, 0.0000494700000000, -0.0002781100000000 ] - [ -0.0007105200000000, -0.0000695000000000, -0.0001656800000000 ] - [ 0.0004159000000000, -0.0005791500000000, -0.0001670900000000 ] - [ 0.0001307100000000, -0.0005208600000000, -0.0005443900000000 ] - [ -0.0001189400000000, -0.0003006800000000, -0.0000614500000000 ] - [ 0.0002979100000000, 0.0006531000000000, -0.0001669700000000 ] - [ 0.0003634900000000, -0.0000732100000000, -0.0005882700000000 ] - [ 0.0003780600000000, 0.0003769500000000, -0.0005451400000000 ] - [ -0.0002948400000000, -0.0002520400000000, -0.0005427600000000 ] - [ -0.0000953400000000, 0.0003340700000000, -0.0005414300000000 ]- atom: 57 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000134500000000, 0.0000206100000000, -0.0002190200000000 ] - [ 0.0000359800000000, 0.0003604500000000, 0.0002831800000000 ] - [ 0.0029013300000000, 0.0003801500000000, 0.0023769500000000 ] - [ -0.0004280900000000, 0.0006430800000000, -0.0007943100000000 ] - [ -0.0000068600000000, -0.0000131600000000, -0.0003023900000000 ] - [ 0.0000041300000000, 0.0000000800000000, -0.0003769200000000 ] - [ -0.0025161700000000, -0.0011488600000000, 0.0015522800000000 ] - [ 0.0022591800000000, 0.0005861900000000, 0.0002657900000000 ] - [ -0.0000121100000000, -0.0000000600000000, -0.0013109700000000 ] - [ 0.0118209400000000, -0.0008076100000000, -0.0065418600000000 ] - [ -0.0012777600000000, -0.0009903600000000, 0.0031010700000000 ] - [ -0.0001047900000000, -0.0001073400000000, -0.0006554600000000 ] - [ -0.0005951800000000, -0.0010018200000000, -0.0013156000000000 ] - [ -0.0000511800000000, 0.0000861700000000, -0.0010664000000000 ] - [ -0.0231349300000000, -0.0338890100000000, 0.0221495300000000 ] - [ -0.0000015100000000, 0.0000034400000000, -0.0010752300000000 ] - [ 0.0002397000000000, -0.0000421600000000, -0.0011216900000000 ] - [ 0.0000054800000000, 0.0000020100000000, -0.0006942700000000 ] - [ 0.0080576900000000, -0.0026877500000000, 0.0117631800000000 ] - [ -0.0633801100000000, -0.0389777500000000, 0.0675415300000000 ] - [ 0.0003085100000000, 0.0038911800000000, 0.0044411200000000 ] - [ -0.0008060900000000, 0.0015679300000000, -0.0024019100000000 ] - [ -0.0012893000000000, -0.0012460900000000, -0.0024125600000000 ] - [ 0.0001526800000000, -0.0001662600000000, -0.0006990900000000 ] - [ 0.0000777400000000, 0.0002749700000000, -0.0007227700000000 ] - [ 0.0002489600000000, -0.0005345900000000, -0.0007603300000000 ] - [ -0.0002064900000000, 0.0002460900000000, -0.0008210300000000 ] - [ -0.0010417300000000, -0.0018698400000000, 0.0026951600000000 ] - [ 0.0048498400000000, -0.0061767000000000, -0.0018408700000000 ] - [ 0.0007708000000000, 0.0021475300000000, 0.0010571800000000 ] - [ 0.0006259800000000, 0.0003911600000000, -0.0009388300000000 ] - [ 0.0000622800000000, -0.0007071800000000, -0.0009740600000000 ] - [ -0.0006819300000000, 0.0003131600000000, -0.0009646400000000 ] - [ -0.0000200500000000, -0.0001204600000000, -0.0009968300000000 ] - [ 0.0001181200000000, 0.0000239100000000, -0.0009772200000000 ] - [ -0.0000796100000000, 0.0000773700000000, -0.0009789600000000 ] - [ 0.0000271900000000, -0.0002706300000000, 0.0000339000000000 ] - [ 0.0001346400000000, 0.0002317400000000, 0.0006814100000000 ] - [ -0.0051529600000000, 0.0042684100000000, -0.0021180200000000 ] - [ -0.0002171700000000, 0.0000545800000000, 0.0006012100000000 ] - [ -0.0018622000000000, -0.0018480400000000, -0.0019765800000000 ] - [ 0.0010877000000000, 0.0005095500000000, -0.0028227300000000 ] - [ -0.0351918200000000, -0.0181877200000000, 0.0315959800000000 ] - [ 0.0082677300000000, 0.0016030400000000, -0.0010007000000000 ] - [ 0.0002361900000000, 0.0001416100000000, -0.0009981800000000 ] - [ 0.0007677000000000, -0.0026304200000000, 0.0036861300000000 ] - [ -0.0003611700000000, -0.0005248300000000, -0.0000313000000000 ] - [ 0.0003475000000000, 0.0026563600000000, 0.0034101900000000 ] - [ 0.0102135800000000, 0.0008649000000000, -0.0003535100000000 ] - [ -0.0034883700000000, -0.0046447600000000, -0.0017240400000000 ] - [ -0.0003303600000000, -0.0001109700000000, -0.0008617600000000 ] - [ -0.0000208700000000, -0.0002928500000000, 0.0004796500000000 ] - [ 0.0002144900000000, 0.0002991900000000, 0.0005679600000000 ] - [ 0.0007265600000000, -0.0004133200000000, -0.0003063200000000 ] - [ -0.0007822300000000, -0.0002040300000000, 0.0004285800000000 ] - [ 0.0002569400000000, 0.0004884900000000, 0.0002681300000000 ] - [ 0.1046137300000000, 0.0951397600000000, -0.1254987300000000 ] - [ 0.0007973400000000, 0.0003594200000000, 0.0000036500000000 ] - [ 0.0028192600000000, -0.0042255300000000, -0.0044026000000000 ] - [ -0.0115059200000000, -0.0040466200000000, -0.0069143300000000 ] - [ -0.0001425900000000, -0.0014366900000000, -0.0012366300000000 ] - [ 0.0000023900000000, 0.0011104000000000, -0.0011292500000000 ] - [ -0.0000778100000000, 0.0000258500000000, 0.0002060600000000 ] - [ -0.0023745200000000, 0.0059409900000000, 0.0008289800000000 ] - [ 0.0001950300000000, -0.0009515200000000, 0.0005652700000000 ] - [ -0.0002371600000000, 0.0002436400000000, 0.0003945600000000 ] - [ -0.0000102100000000, 0.0002549900000000, 0.0002561300000000 ] - [ -0.0008669300000000, 0.0003985800000000, 0.0004345700000000 ] - [ 0.0006728900000000, 0.0004793000000000, 0.0006147400000000 ] - [ 0.0007495300000000, 0.0003107200000000, 0.0000093500000000 ] - [ -0.0010956000000000, 0.0007014400000000, -0.0019830900000000 ] - [ 0.0001276500000000, 0.0025194700000000, 0.0021657900000000 ] - [ 0.0001126500000000, -0.0000108000000000, 0.0003989300000000 ] - [ 0.0000362400000000, -0.0002404900000000, 0.0000957300000000 ] - [ -0.0003720400000000, -0.0002776000000000, 0.0003789700000000 ] - [ 0.0028650600000000, 0.0005658900000000, -0.0003550600000000 ] - [ -0.0045232900000000, 0.0029351100000000, 0.0075637200000000 ] - [ -0.0031789500000000, -0.0001735700000000, 0.0003671100000000 ] - [ -0.0001638500000000, -0.0004806400000000, 0.0001463800000000 ] - [ -0.0004498800000000, -0.0011012500000000, 0.0005831700000000 ] - [ 0.0000879600000000, -0.0004269300000000, 0.0003974100000000 ] - [ 0.0002117400000000, -0.0005699800000000, -0.0011407700000000 ] - [ -0.0004421600000000, 0.0001212300000000, 0.0003936400000000 ] - [ 0.0003585000000000, 0.0003068500000000, 0.0003844000000000 ] - [ 0.0002339800000000, -0.0002886000000000, 0.0002459700000000 ] - [ 0.0001285600000000, 0.0003462500000000, 0.0002645500000000 ] - [ -0.0002490700000000, 0.0000254500000000, 0.0001648000000000 ] - [ -0.0003584600000000, -0.0000652900000000, 0.0002446700000000 ] - [ -0.0000058600000000, -0.0010139700000000, 0.0004796600000000 ] - [ -0.0004710600000000, 0.0002460600000000, 0.0007450800000000 ] - [ 0.0001273500000000, 0.0001898200000000, 0.0001705400000000 ] - [ -0.0009085900000000, 0.0004927200000000, 0.0004831900000000 ] - [ 0.0009006200000000, 0.0005242000000000, 0.0005078100000000 ] - [ 0.0005364900000000, -0.0002303700000000, 0.0008179500000000 ] - [ -0.0002877900000000, 0.0006306200000000, 0.0002287300000000 ] - [ -0.0000703000000000, 0.0005773200000000, 0.0008108300000000 ] - [ 0.0004498700000000, 0.0002863200000000, 0.0007551700000000 ] - [ 0.0001141600000000, -0.0002094100000000, 0.0001656100000000 ] - [ 0.0000315100000000, -0.0005371300000000, 0.0007546000000000 ] - [ -0.0004446000000000, -0.0000173800000000, 0.0004156600000000 ] - [ 0.0002320300000000, -0.0003640500000000, 0.0004159800000000 ] - [ -0.0003949400000000, -0.0005624000000000, 0.0002208000000000 ] - [ -0.0004665900000000, -0.0003493400000000, 0.0008129600000000 ] - [ 0.0002000200000000, 0.0003863400000000, 0.0004132800000000 ] - [ 0.0000869600000000, -0.0004184800000000, 0.0004655500000000 ] - [ 0.0006841600000000, -0.0000563400000000, 0.0002205900000000 ] - [ -0.0003626700000000, 0.0001124800000000, 0.0004288600000000 ] - [ 0.0002931300000000, 0.0003044000000000, 0.0004153000000000 ]- atom: 57 displacement: [ -0.0050000000144975, 0.0086602540294743, 0.0000000000000000 ] forces: - [ 0.0000210600000000, -0.0000131400000000, 0.0001950800000000 ] - [ 0.0013065700000000, -0.0023225100000000, 0.0020751300000000 ] - [ 0.0002301200000000, 0.0003318500000000, -0.0004138000000000 ] - [ -0.0007160800000000, 0.0001894800000000, 0.0005519600000000 ] - [ 0.0000074400000000, -0.0000187100000000, 0.0002727100000000 ] - [ -0.0000016400000000, 0.0000011300000000, 0.0001400100000000 ] - [ -0.0001676300000000, 0.0021600400000000, -0.0010411600000000 ] - [ 0.0010974900000000, 0.0014247900000000, 0.0002354600000000 ] - [ 0.0000027700000000, -0.0000121900000000, 0.0007598500000000 ] - [ -0.0010836200000000, -0.0008849500000000, -0.0009632700000000 ] - [ 0.0049429200000000, -0.0139071700000000, -0.0076794700000000 ] - [ 0.0001466900000000, -0.0002091200000000, 0.0013139100000000 ] - [ 0.0004661200000000, -0.0013632600000000, 0.0000827500000000 ] - [ -0.0000844500000000, 0.0000467800000000, 0.0007802400000000 ] - [ 0.0161620900000000, 0.0394611100000000, -0.0212477600000000 ] - [ 0.0000035900000000, 0.0000039500000000, 0.0003986100000000 ] - [ -0.0000269600000000, 0.0000376700000000, 0.0006318100000000 ] - [ -0.0000115700000000, 0.0000016500000000, 0.0009160500000000 ] - [ -0.0020926900000000, -0.0006566400000000, -0.0049169700000000 ] - [ -0.0010839500000000, 0.0715672400000000, -0.0602297000000000 ] - [ 0.0047051300000000, -0.0056559900000000, -0.0120457900000000 ] - [ -0.0007695900000000, -0.0001613300000000, 0.0003283700000000 ] - [ 0.0000089800000000, -0.0000450000000000, 0.0000643400000000 ] - [ 0.0003084400000000, 0.0007296300000000, 0.0003250700000000 ] - [ 0.0004235200000000, 0.0004189100000000, 0.0003661600000000 ] - [ -0.0001351700000000, -0.0007823800000000, 0.0003585000000000 ] - [ -0.0002331600000000, 0.0004744900000000, 0.0003362100000000 ] - [ 0.0088434600000000, -0.0008236300000000, -0.0001000300000000 ] - [ 0.0015791100000000, 0.0056596300000000, -0.0075717300000000 ] - [ -0.0030338300000000, -0.0015755600000000, -0.0031883300000000 ] - [ 0.0004825300000000, 0.0000424600000000, 0.0004517700000000 ] - [ -0.0002013700000000, -0.0004411000000000, 0.0004476000000000 ] - [ -0.0002703000000000, 0.0004100600000000, 0.0004882100000000 ] - [ 0.0002517800000000, 0.0002361700000000, 0.0002950900000000 ] - [ -0.0003248400000000, 0.0000812700000000, 0.0003050800000000 ] - [ 0.0000970800000000, -0.0003277200000000, 0.0003188000000000 ] - [ -0.0001478500000000, -0.0003975000000000, -0.0005268500000000 ] - [ 0.0004223800000000, -0.0000135600000000, -0.0005865400000000 ] - [ 0.0003411100000000, -0.0000964300000000, 0.0008051600000000 ] - [ -0.0002048000000000, 0.0002528000000000, -0.0005051100000000 ] - [ 0.0014981400000000, 0.0029440900000000, 0.0013001200000000 ] - [ -0.0000279700000000, 0.0002062900000000, 0.0009760100000000 ] - [ 0.0043168900000000, -0.0094182700000000, 0.0008523300000000 ] - [ 0.0006587100000000, 0.0287990800000000, -0.0243673300000000 ] - [ -0.0040758400000000, 0.0027339100000000, 0.0015199700000000 ] - [ 0.0009341700000000, -0.0000847400000000, 0.0004015500000000 ] - [ -0.0001067400000000, 0.0004699900000000, -0.0000564700000000 ] - [ -0.0001654400000000, 0.0001033100000000, 0.0000236100000000 ] - [ 0.0045858600000000, -0.0087883100000000, 0.0027377900000000 ] - [ 0.0003412800000000, 0.0029379300000000, 0.0020932500000000 ] - [ -0.0000333000000000, -0.0010289400000000, 0.0028642900000000 ] - [ -0.0001574200000000, 0.0000905300000000, -0.0005288300000000 ] - [ 0.0001888700000000, -0.0002954000000000, -0.0000977200000000 ] - [ -0.0002431800000000, -0.0007973500000000, -0.0003577700000000 ] - [ -0.0007198600000000, -0.0003926200000000, 0.0005258200000000 ] - [ -0.0001126900000000, 0.0002333000000000, -0.0004688000000000 ] - [ -0.0298893900000000, -0.1282742900000000, 0.1080103300000000 ] - [ 0.0008344200000000, -0.0001907100000000, 0.0000970100000000 ] - [ -0.0025422200000000, 0.0120422300000000, 0.0065246000000000 ] - [ 0.0054191000000000, -0.0001985900000000, 0.0039742400000000 ] - [ 0.0023525300000000, 0.0014311800000000, 0.0029240400000000 ] - [ -0.0021401000000000, 0.0024580900000000, 0.0012093900000000 ] - [ -0.0002314700000000, 0.0000753400000000, -0.0001570000000000 ] - [ -0.0062692800000000, 0.0036459500000000, 0.0067696500000000 ] - [ 0.0001110800000000, -0.0010078900000000, -0.0001235000000000 ] - [ -0.0000800600000000, 0.0001271400000000, 0.0000443800000000 ] - [ 0.0002703400000000, 0.0003194200000000, -0.0002768500000000 ] - [ -0.0007633500000000, 0.0004471700000000, -0.0001584700000000 ] - [ 0.0007001500000000, 0.0004928500000000, 0.0000071900000000 ] - [ -0.0015345500000000, 0.0012728900000000, -0.0009826700000000 ] - [ -0.0021871800000000, -0.0010856900000000, -0.0010415300000000 ] - [ -0.0000081200000000, 0.0000660600000000, 0.0018713900000000 ] - [ 0.0001845900000000, -0.0001029600000000, 0.0000575200000000 ] - [ -0.0001185000000000, -0.0003918200000000, -0.0003780300000000 ] - [ -0.0003249000000000, -0.0002925200000000, 0.0000408000000000 ] - [ -0.0050083200000000, 0.0024526200000000, -0.0047317500000000 ] - [ 0.0016344100000000, -0.0052582200000000, 0.0011377900000000 ] - [ -0.0015893300000000, -0.0015494400000000, 0.0010640300000000 ] - [ -0.0002179000000000, 0.0000304800000000, 0.0010673000000000 ] - [ 0.0020372800000000, 0.0020025100000000, -0.0002127400000000 ] - [ 0.0003065400000000, -0.0000907500000000, -0.0003856200000000 ] - [ 0.0012370600000000, -0.0000674200000000, 0.0003926100000000 ] - [ -0.0002650100000000, -0.0002053400000000, -0.0003855000000000 ] - [ -0.0000133400000000, 0.0002944400000000, -0.0003673900000000 ] - [ -0.0001658800000000, -0.0002586100000000, -0.0006100100000000 ] - [ 0.0003042800000000, -0.0000139900000000, -0.0005863800000000 ] - [ -0.0003299700000000, 0.0002077400000000, -0.0002999600000000 ] - [ -0.0001322800000000, 0.0002669900000000, -0.0005984700000000 ] - [ 0.0001207100000000, -0.0008318300000000, -0.0000194000000000 ] - [ 0.0000870200000000, 0.0002884300000000, -0.0000947700000000 ] - [ 0.0003341100000000, 0.0001807000000000, -0.0002901000000000 ] - [ -0.0007803600000000, 0.0003210300000000, -0.0000212100000000 ] - [ 0.0006627700000000, 0.0005112900000000, -0.0000278600000000 ] - [ 0.0003556800000000, 0.0000001800000000, 0.0000882700000000 ] - [ -0.0004818400000000, 0.0002245600000000, -0.0004116900000000 ] - [ -0.0001791900000000, 0.0003092900000000, 0.0000855100000000 ] - [ 0.0002052800000000, -0.0002172400000000, -0.0000925100000000 ] - [ -0.0000190800000000, -0.0003983200000000, -0.0003011000000000 ] - [ -0.0002982700000000, -0.0000595700000000, -0.0001126900000000 ] - [ -0.0006766600000000, -0.0000592700000000, -0.0000627900000000 ] - [ 0.0003868600000000, -0.0005459600000000, -0.0000618900000000 ] - [ 0.0000485300000000, -0.0005232200000000, -0.0004149500000000 ] - [ -0.0001775400000000, -0.0003104700000000, 0.0000809700000000 ] - [ 0.0002799500000000, 0.0006060200000000, -0.0000632000000000 ] - [ 0.0003137700000000, -0.0000864300000000, -0.0004480900000000 ] - [ 0.0004254700000000, 0.0003122200000000, -0.0004214200000000 ] - [ -0.0002509800000000, -0.0002532800000000, -0.0004969600000000 ] - [ -0.0000792000000000, 0.0003509800000000, -0.0004558100000000 ]- atom: 57 displacement: [ 0.0050000000144975, -0.0086602540294743, 0.0000000000000000 ] forces: - [ -0.0000231100000000, 0.0000127300000000, -0.0000936500000000 ] - [ -0.0013110500000000, 0.0023256200000000, -0.0021872800000000 ] - [ -0.0002203300000000, -0.0003324500000000, 0.0005485200000000 ] - [ 0.0007201100000000, -0.0001894800000000, -0.0006802200000000 ] - [ -0.0000094000000000, 0.0000189600000000, -0.0001679200000000 ] - [ 0.0000006800000000, -0.0000006400000000, -0.0002642900000000 ] - [ 0.0000982600000000, -0.0023016400000000, 0.0009028100000000 ] - [ -0.0010951400000000, -0.0014299200000000, -0.0003567500000000 ] - [ -0.0000054800000000, 0.0000170800000000, -0.0008874100000000 ] - [ 0.0011748300000000, 0.0008917700000000, 0.0005715000000000 ] - [ -0.0049730400000000, 0.0139211600000000, 0.0078038300000000 ] - [ -0.0001483100000000, 0.0002076100000000, -0.0007703600000000 ] - [ -0.0004759200000000, 0.0013710300000000, -0.0004478600000000 ] - [ 0.0000854600000000, -0.0000448200000000, -0.0007145000000000 ] - [ -0.0169139900000000, -0.0398680500000000, 0.0224667200000000 ] - [ -0.0000026200000000, -0.0000015600000000, -0.0007588200000000 ] - [ 0.0000261400000000, -0.0000324900000000, -0.0005710600000000 ] - [ 0.0000116000000000, -0.0000033400000000, -0.0003620000000000 ] - [ 0.0030928000000000, 0.0009764200000000, 0.0047052400000000 ] - [ 0.0014132100000000, -0.0732034000000000, 0.0598144900000000 ] - [ -0.0054773300000000, 0.0064017200000000, 0.0119268100000000 ] - [ 0.0010297500000000, 0.0003542100000000, -0.0007397000000000 ] - [ -0.0002891900000000, 0.0001543000000000, -0.0004823500000000 ] - [ -0.0002783200000000, -0.0010427600000000, -0.0007320600000000 ] - [ 0.0005806800000000, -0.0000696100000000, -0.0006150700000000 ] - [ -0.0000462600000000, -0.0002613400000000, -0.0006082000000000 ] - [ -0.0005607800000000, 0.0002066700000000, -0.0005859000000000 ] - [ -0.0086414500000000, 0.0010190900000000, -0.0003387200000000 ] - [ -0.0018839700000000, -0.0055144100000000, 0.0071530700000000 ] - [ 0.0030880300000000, 0.0012551400000000, 0.0027726300000000 ] - [ 0.0005247000000000, 0.0003015000000000, -0.0007020200000000 ] - [ 0.0000248200000000, -0.0006014800000000, -0.0006993500000000 ] - [ -0.0005106200000000, 0.0002636400000000, -0.0007417100000000 ] - [ 0.0000140200000000, -0.0000475200000000, -0.0007031700000000 ] - [ 0.0000387700000000, 0.0000444500000000, -0.0007148400000000 ] - [ -0.0000588900000000, 0.0000011700000000, -0.0007319800000000 ] - [ 0.0001442300000000, -0.0001361200000000, 0.0000151700000000 ] - [ 0.0000451600000000, 0.0002735500000000, 0.0000741600000000 ] - [ -0.0009308600000000, 0.0003747500000000, -0.0010490200000000 ] - [ -0.0002550500000000, 0.0000158700000000, -0.0000024800000000 ] - [ -0.0013214000000000, -0.0047198100000000, -0.0009711800000000 ] - [ -0.0002053500000000, 0.0003492500000000, -0.0005188400000000 ] - [ -0.0040260000000000, 0.0096886300000000, -0.0009094800000000 ] - [ -0.0022712000000000, -0.0275717000000000, 0.0242603500000000 ] - [ 0.0055341800000000, -0.0017002900000000, -0.0012018100000000 ] - [ -0.0000763300000000, -0.0001118500000000, 0.0003555900000000 ] - [ -0.0007000700000000, 0.0002988200000000, -0.0002709400000000 ] - [ -0.0001118000000000, 0.0007439800000000, 0.0007331800000000 ] - [ -0.0039577600000000, 0.0087913100000000, -0.0020146800000000 ] - [ -0.0003151400000000, -0.0036247300000000, -0.0023556000000000 ] - [ -0.0003337300000000, 0.0005762900000000, -0.0024415200000000 ] - [ -0.0010005800000000, -0.0001763900000000, 0.0007827800000000 ] - [ 0.0004539000000000, -0.0006414000000000, 0.0003518700000000 ] - [ -0.0000174000000000, -0.0002722200000000, 0.0000368600000000 ] - [ 0.0001344900000000, -0.0002631800000000, 0.0002104800000000 ] - [ 0.0006138700000000, 0.0008045500000000, 0.0007190700000000 ] - [ 0.0308982200000000, 0.1284965800000000, -0.1087032600000000 ] - [ 0.0002401800000000, 0.0005144800000000, -0.0004229100000000 ] - [ 0.0019085500000000, -0.0124290700000000, -0.0067365500000000 ] - [ -0.0052903700000000, 0.0008456700000000, -0.0041689600000000 ] - [ -0.0023488900000000, -0.0019652200000000, -0.0034380300000000 ] - [ 0.0026264700000000, -0.0022087800000000, -0.0017276000000000 ] - [ -0.0003396400000000, 0.0001819400000000, -0.0000698800000000 ] - [ 0.0057104300000000, -0.0032851900000000, -0.0072122600000000 ] - [ 0.0000530700000000, -0.0007866600000000, 0.0004736300000000 ] - [ -0.0001819400000000, 0.0004190500000000, 0.0004404700000000 ] - [ 0.0002358600000000, 0.0000456000000000, 0.0000505800000000 ] - [ -0.0008814500000000, 0.0003167200000000, 0.0005080400000000 ] - [ 0.0007647400000000, 0.0005504400000000, 0.0003403100000000 ] - [ 0.0024097600000000, -0.0014692800000000, 0.0017501600000000 ] - [ 0.0013899600000000, 0.0018604800000000, 0.0007122900000000 ] - [ -0.0002568100000000, 0.0007779200000000, -0.0011084700000000 ] - [ 0.0004130000000000, 0.0000515800000000, 0.0004233900000000 ] - [ 0.0001821100000000, -0.0002305600000000, 0.0001517200000000 ] - [ -0.0000196100000000, -0.0002005500000000, 0.0004376200000000 ] - [ 0.0039183000000000, -0.0025843500000000, 0.0050925900000000 ] - [ -0.0010102800000000, 0.0043575800000000, -0.0008491900000000 ] - [ 0.0013240300000000, 0.0004653100000000, -0.0013995800000000 ] - [ -0.0003747800000000, -0.0006848700000000, -0.0003146400000000 ] - [ -0.0015350100000000, -0.0009552400000000, 0.0004470600000000 ] - [ 0.0001459500000000, -0.0003955500000000, 0.0002458000000000 ] - [ -0.0001841000000000, 0.0003957700000000, -0.0007338200000000 ] - [ -0.0003848900000000, 0.0000582400000000, 0.0002491000000000 ] - [ 0.0002057700000000, 0.0003425600000000, 0.0002252300000000 ] - [ 0.0001604400000000, -0.0002741800000000, 0.0000980800000000 ] - [ 0.0001637700000000, 0.0002722200000000, 0.0000697200000000 ] - [ -0.0002440600000000, 0.0000541400000000, 0.0000727800000000 ] - [ -0.0003260600000000, 0.0000043500000000, 0.0000854500000000 ] - [ 0.0000472900000000, -0.0009595100000000, 0.0003700600000000 ] - [ -0.0003553500000000, 0.0002570300000000, 0.0005875100000000 ] - [ 0.0001659400000000, 0.0001844300000000, 0.0000644100000000 ] - [ -0.0008617900000000, 0.0004363600000000, 0.0003701200000000 ] - [ 0.0007939000000000, 0.0005333300000000, 0.0003777800000000 ] - [ 0.0005010000000000, -0.0001777400000000, 0.0006550000000000 ] - [ -0.0003271500000000, 0.0005396100000000, 0.0000820600000000 ] - [ -0.0000956800000000, 0.0005219100000000, 0.0006578700000000 ] - [ 0.0003958400000000, 0.0001730700000000, 0.0005811900000000 ] - [ 0.0000800300000000, -0.0002238400000000, 0.0000743600000000 ] - [ -0.0000441500000000, -0.0004394600000000, 0.0005978100000000 ] - [ -0.0004867500000000, -0.0000255300000000, 0.0003184300000000 ] - [ 0.0002636700000000, -0.0004058500000000, 0.0003167100000000 ] - [ -0.0003086300000000, -0.0005601800000000, 0.0000850200000000 ] - [ -0.0004087100000000, -0.0003433900000000, 0.0006662000000000 ] - [ 0.0002244000000000, 0.0004409600000000, 0.0003160200000000 ] - [ 0.0001366200000000, -0.0004010700000000, 0.0003094300000000 ] - [ 0.0006349100000000, 0.0000128600000000, 0.0000909300000000 ] - [ -0.0004027600000000, 0.0001108000000000, 0.0003652400000000 ] - [ 0.0002728300000000, 0.0002864100000000, 0.0003125800000000 ]- atom: 57 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0000816600000000, -0.0000616400000000, -0.0016631100000000 ] - [ -0.0010040400000000, 0.0020170400000000, -0.0005614000000000 ] - [ 0.0004908600000000, -0.0004008700000000, 0.0046530000000000 ] - [ 0.0004910600000000, 0.0010621000000000, -0.0023669100000000 ] - [ -0.0000175300000000, -0.0000057700000000, -0.0014620500000000 ] - [ 0.0000043600000000, -0.0000002900000000, -0.0013981100000000 ] - [ -0.0127536800000000, -0.0209031400000000, -0.0089084300000000 ] - [ 0.0004626300000000, -0.0016785600000000, -0.0030685100000000 ] - [ -0.0000157400000000, 0.0000193200000000, -0.0054666800000000 ] - [ 0.0091719000000000, 0.0002005000000000, -0.0010669000000000 ] - [ -0.0046283000000000, 0.0054913900000000, 0.0189641000000000 ] - [ -0.0001067600000000, 0.0002223900000000, -0.0038232600000000 ] - [ -0.0014687000000000, -0.0002184800000000, -0.0037951000000000 ] - [ 0.0000735100000000, 0.0001448000000000, -0.0045438700000000 ] - [ -0.0176000000000000, -0.0332696000000000, 0.0329348200000000 ] - [ -0.0000129600000000, -0.0000061700000000, -0.0041572600000000 ] - [ 0.0001940600000000, 0.0000467600000000, -0.0042211500000000 ] - [ -0.0000163200000000, -0.0000070200000000, -0.0040441600000000 ] - [ 0.0025763900000000, -0.0026426900000000, 0.0171226200000000 ] - [ -0.0670921600000000, -0.1133916200000000, 0.2473154500000000 ] - [ -0.0000066100000000, 0.0031265100000000, 0.0171370700000000 ] - [ -0.0007069300000000, -0.0013579600000000, -0.0026592600000000 ] - [ 0.0033218400000000, -0.0008828200000000, -0.0033151800000000 ] - [ -0.0029774100000000, 0.0021271600000000, -0.0019816000000000 ] - [ 0.0003518700000000, 0.0003528800000000, -0.0036453000000000 ] - [ 0.0006897900000000, -0.0007306300000000, -0.0033789100000000 ] - [ -0.0008268200000000, 0.0002471200000000, -0.0034809800000000 ] - [ -0.0144666100000000, 0.0026519100000000, 0.0036905800000000 ] - [ 0.0084072200000000, -0.0151118000000000, 0.0035263000000000 ] - [ 0.0024016100000000, 0.0007084400000000, 0.0037689000000000 ] - [ 0.0009736600000000, 0.0009063200000000, -0.0037053200000000 ] - [ 0.0003456100000000, -0.0013155000000000, -0.0036934500000000 ] - [ -0.0012886200000000, 0.0003515300000000, -0.0037861200000000 ] - [ -0.0006156100000000, -0.0008112800000000, -0.0035857600000000 ] - [ 0.0010104600000000, -0.0001505400000000, -0.0035525200000000 ] - [ -0.0003902300000000, 0.0009354000000000, -0.0035891400000000 ] - [ 0.0011422400000000, -0.0005371700000000, 0.0014769000000000 ] - [ -0.0001874900000000, 0.0011762300000000, 0.0017910900000000 ] - [ -0.0032453200000000, 0.0027825500000000, -0.0039147600000000 ] - [ -0.0010243500000000, -0.0006767100000000, 0.0018927600000000 ] - [ -0.0010941800000000, -0.0031947100000000, -0.0042942100000000 ] - [ 0.0060155700000000, 0.0013931700000000, -0.0063360900000000 ] - [ -0.0241136900000000, -0.0093094700000000, 0.0100578400000000 ] - [ 0.0018067400000000, -0.0230281300000000, 0.0068845000000000 ] - [ 0.0019203000000000, -0.0008409300000000, -0.0039256300000000 ] - [ 0.0001837300000000, -0.0009209000000000, 0.0017825700000000 ] - [ 0.0006534700000000, 0.0026529800000000, 0.0016512500000000 ] - [ -0.0012403800000000, 0.0014114100000000, 0.0018254100000000 ] - [ 0.0049040500000000, 0.0088168000000000, 0.0467159300000000 ] - [ -0.0028779200000000, -0.0049174000000000, -0.0044167700000000 ] - [ -0.0025506700000000, 0.0054378100000000, -0.0064252900000000 ] - [ 0.0000934400000000, -0.0000565400000000, 0.0011854800000000 ] - [ -0.0004993100000000, 0.0004906800000000, 0.0008678500000000 ] - [ -0.0022903000000000, 0.0011407700000000, 0.0027804600000000 ] - [ 0.0005388200000000, -0.0006507600000000, -0.0003360000000000 ] - [ 0.0005819600000000, -0.0003240400000000, 0.0011064900000000 ] - [ 0.1233520100000000, 0.1935377500000000, -0.3519194400000000 ] - [ 0.0033934400000000, -0.0008338000000000, 0.0021748500000000 ] - [ 0.0037414800000000, -0.0102607900000000, -0.0132808000000000 ] - [ -0.0108304800000000, -0.0009981900000000, -0.0132859700000000 ] - [ -0.0022314300000000, -0.0004455300000000, -0.0053296700000000 ] - [ 0.0034172300000000, -0.0025026500000000, -0.0054269400000000 ] - [ -0.0000273700000000, -0.0000419500000000, 0.0010051500000000 ] - [ -0.0015479200000000, 0.0076964800000000, -0.0059346100000000 ] - [ 0.0000167000000000, -0.0011356000000000, 0.0018095800000000 ] - [ -0.0009511600000000, 0.0004306700000000, 0.0019475400000000 ] - [ -0.0003328800000000, 0.0001932900000000, 0.0012180200000000 ] - [ -0.0011239500000000, 0.0005806400000000, 0.0015304200000000 ] - [ 0.0009848100000000, 0.0004298400000000, 0.0016105800000000 ] - [ 0.0036557200000000, -0.0017114100000000, 0.0019801200000000 ] - [ 0.0025083000000000, 0.0017324500000000, 0.0001484400000000 ] - [ 0.0000992400000000, 0.0040426700000000, 0.0021318300000000 ] - [ 0.0006303400000000, 0.0009079800000000, 0.0018551000000000 ] - [ 0.0003273700000000, -0.0000100800000000, 0.0010744000000000 ] - [ 0.0003044400000000, -0.0009912900000000, 0.0019382000000000 ] - [ 0.0095709000000000, -0.0067827000000000, 0.0073972300000000 ] - [ -0.0133241500000000, 0.0079916000000000, 0.0132641700000000 ] - [ -0.0037157200000000, 0.0010337200000000, -0.0008486200000000 ] - [ 0.0000280800000000, -0.0004249900000000, -0.0003508900000000 ] - [ -0.0015513400000000, -0.0016388200000000, -0.0008393000000000 ] - [ -0.0002990600000000, -0.0009836000000000, 0.0020174300000000 ] - [ 0.0000057700000000, 0.0006795900000000, -0.0013583800000000 ] - [ -0.0007087000000000, 0.0006984000000000, 0.0020363300000000 ] - [ 0.0010114100000000, 0.0002873600000000, 0.0020788200000000 ] - [ 0.0010081800000000, -0.0003562200000000, 0.0019545200000000 ] - [ -0.0002132300000000, 0.0010416900000000, 0.0019517700000000 ] - [ -0.0001446800000000, -0.0002274100000000, 0.0011854500000000 ] - [ -0.0007984700000000, -0.0006952400000000, 0.0019179700000000 ] - [ -0.0002133100000000, -0.0013658000000000, 0.0014594600000000 ] - [ -0.0016287400000000, 0.0001870400000000, 0.0024421600000000 ] - [ -0.0001344000000000, 0.0002504900000000, 0.0011705900000000 ] - [ -0.0011085700000000, 0.0008696200000000, 0.0014687900000000 ] - [ 0.0012851300000000, 0.0005085900000000, 0.0014855700000000 ] - [ 0.0009136300000000, -0.0007086100000000, 0.0022927400000000 ] - [ 0.0000963800000000, 0.0014264900000000, 0.0014987500000000 ] - [ 0.0001560700000000, 0.0011412100000000, 0.0022792500000000 ] - [ 0.0009727500000000, 0.0013126600000000, 0.0024346200000000 ] - [ 0.0002943000000000, 0.0000064500000000, 0.0011969500000000 ] - [ 0.0006634100000000, -0.0015200500000000, 0.0024711900000000 ] - [ 0.0000399800000000, 0.0000639900000000, 0.0013876100000000 ] - [ -0.0000803100000000, 0.0000215300000000, 0.0013872400000000 ] - [ -0.0012750600000000, -0.0006306700000000, 0.0014878500000000 ] - [ -0.0010729800000000, -0.0004346700000000, 0.0022966000000000 ] - [ 0.0000302100000000, -0.0000731100000000, 0.0013878400000000 ] - [ -0.0002325500000000, -0.0008735500000000, 0.0020193900000000 ] - [ 0.0011888100000000, -0.0007925000000000, 0.0014973300000000 ] - [ -0.0006239800000000, 0.0006156400000000, 0.0020857600000000 ] - [ 0.0008674600000000, 0.0002405700000000, 0.0020348700000000 ]- atom: 57 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000811800000000, 0.0000617300000000, 0.0017823600000000 ] - [ 0.0010022800000000, -0.0020166400000000, 0.0004249400000000 ] - [ -0.0004866600000000, 0.0004023500000000, -0.0045434000000000 ] - [ -0.0004894400000000, -0.0010602300000000, 0.0022463500000000 ] - [ 0.0000163100000000, 0.0000056000000000, 0.0015797500000000 ] - [ -0.0000050000000000, 0.0000002200000000, 0.0012799100000000 ] - [ 0.0128806900000000, 0.0211054900000000, 0.0088841900000000 ] - [ -0.0004624100000000, 0.0016774100000000, 0.0029913600000000 ] - [ 0.0000127900000000, -0.0000149800000000, 0.0053906800000000 ] - [ -0.0091709100000000, -0.0001960000000000, 0.0006593100000000 ] - [ 0.0046243500000000, -0.0054570300000000, -0.0189214200000000 ] - [ 0.0001053800000000, -0.0002247900000000, 0.0043808300000000 ] - [ 0.0014633800000000, 0.0002243600000000, 0.0034560400000000 ] - [ -0.0000725500000000, -0.0001432400000000, 0.0046430800000000 ] - [ 0.0167297300000000, 0.0316646300000000, -0.0318826600000000 ] - [ 0.0000142900000000, 0.0000080800000000, 0.0038196100000000 ] - [ -0.0001969900000000, -0.0000432600000000, 0.0043140700000000 ] - [ 0.0000164400000000, 0.0000050700000000, 0.0046202400000000 ] - [ -0.0015855300000000, 0.0029953900000000, -0.0175521900000000 ] - [ 0.0723488500000000, 0.1212605200000000, -0.2612726100000000 ] - [ -0.0007772300000000, -0.0024627000000000, -0.0175644700000000 ] - [ 0.0009927000000000, 0.0015933400000000, 0.0022555800000000 ] - [ -0.0036711500000000, 0.0010011400000000, 0.0029144500000000 ] - [ 0.0030541700000000, -0.0024943000000000, 0.0015776400000000 ] - [ 0.0006579800000000, -0.0000085800000000, 0.0034065900000000 ] - [ -0.0008782500000000, -0.0003163100000000, 0.0031404500000000 ] - [ 0.0000357700000000, 0.0004406600000000, 0.0032420000000000 ] - [ 0.0147122200000000, -0.0024401700000000, -0.0040776900000000 ] - [ -0.0087301300000000, 0.0151994500000000, -0.0038764800000000 ] - [ -0.0023470300000000, -0.0010605600000000, -0.0041658800000000 ] - [ 0.0000343700000000, -0.0005658500000000, 0.0034672000000000 ] - [ -0.0005257700000000, 0.0002732700000000, 0.0034536300000000 ] - [ 0.0005105700000000, 0.0003240200000000, 0.0035454300000000 ] - [ 0.0008934400000000, 0.0010128900000000, 0.0032065500000000 ] - [ -0.0013138300000000, 0.0002791200000000, 0.0031717600000000 ] - [ 0.0004345500000000, -0.0012791000000000, 0.0032050500000000 ] - [ -0.0011556600000000, 0.0000060100000000, -0.0020146600000000 ] - [ 0.0006586400000000, -0.0009254600000000, -0.0023318000000000 ] - [ 0.0026864300000000, -0.0025369000000000, 0.0037194000000000 ] - [ 0.0005718900000000, 0.0009529100000000, -0.0024318500000000 ] - [ 0.0012710500000000, 0.0014140200000000, 0.0046601600000000 ] - [ -0.0063360200000000, -0.0008524300000000, 0.0068915800000000 ] - [ 0.0247922900000000, 0.0097680200000000, -0.0102203600000000 ] - [ -0.0034597100000000, 0.0240388500000000, -0.0065496200000000 ] - [ -0.0004698500000000, 0.0018895500000000, 0.0042856700000000 ] - [ 0.0006712700000000, 0.0007249900000000, -0.0010218800000000 ] - [ -0.0014758900000000, -0.0019230000000000, -0.0019985100000000 ] - [ 0.0009818500000000, -0.0005715900000000, -0.0010636000000000 ] - [ -0.0043519400000000, -0.0090091800000000, -0.0474074200000000 ] - [ 0.0029504900000000, 0.0043102200000000, 0.0042271600000000 ] - [ 0.0022305600000000, -0.0059780000000000, 0.0069687500000000 ] - [ -0.0012538900000000, -0.0000355500000000, -0.0009348800000000 ] - [ 0.0011518700000000, -0.0014312000000000, -0.0006162300000000 ] - [ 0.0020678600000000, -0.0022372600000000, -0.0031362900000000 ] - [ -0.0011375800000000, 0.0000060000000000, 0.0010989200000000 ] - [ -0.0000890100000000, 0.0013674300000000, -0.0008587300000000 ] - [ -0.1276437200000000, -0.2017375400000000, 0.3657920400000000 ] - [ -0.0023635800000000, 0.0011741800000000, -0.0025261100000000 ] - [ -0.0044023400000000, 0.0101766300000000, 0.0132041700000000 ] - [ 0.0110802100000000, 0.0016639100000000, 0.0131988300000000 ] - [ 0.0022400700000000, -0.0000948600000000, 0.0048079600000000 ] - [ -0.0029513100000000, 0.0027689900000000, 0.0048921700000000 ] - [ -0.0005434600000000, 0.0003005200000000, -0.0012369100000000 ] - [ 0.0010914800000000, -0.0074468600000000, 0.0053778800000000 ] - [ 0.0001543500000000, -0.0006535500000000, -0.0014726500000000 ] - [ 0.0007047200000000, 0.0001144600000000, -0.0014809100000000 ] - [ 0.0008405000000000, 0.0001701000000000, -0.0014494200000000 ] - [ -0.0005189700000000, 0.0001749700000000, -0.0011944700000000 ] - [ 0.0004710700000000, 0.0006154400000000, -0.0012754000000000 ] - [ -0.0027909400000000, 0.0015190500000000, -0.0012232000000000 ] - [ -0.0033128700000000, -0.0009729900000000, -0.0004859200000000 ] - [ -0.0003639400000000, -0.0031969500000000, -0.0013815000000000 ] - [ -0.0000400100000000, -0.0009721500000000, -0.0013923100000000 ] - [ -0.0002660900000000, -0.0006133700000000, -0.0013059000000000 ] - [ -0.0006567700000000, 0.0005111900000000, -0.0014790200000000 ] - [ -0.0106296000000000, 0.0066083000000000, -0.0070214000000000 ] - [ 0.0137953900000000, -0.0088755100000000, -0.0127866300000000 ] - [ 0.0034618300000000, -0.0021098400000000, 0.0005049400000000 ] - [ -0.0006138900000000, -0.0002228700000000, 0.0010989200000000 ] - [ 0.0020601000000000, 0.0026952700000000, 0.0010549100000000 ] - [ 0.0007545000000000, 0.0004974600000000, -0.0021528300000000 ] - [ 0.0010455200000000, -0.0003437000000000, 0.0010169500000000 ] - [ 0.0000580100000000, -0.0008486600000000, -0.0021687200000000 ] - [ -0.0008205700000000, 0.0003512400000000, -0.0022164500000000 ] - [ -0.0010178100000000, -0.0001797200000000, -0.0024957100000000 ] - [ 0.0006862700000000, -0.0007868600000000, -0.0024982500000000 ] - [ -0.0004256800000000, 0.0004866000000000, -0.0014186500000000 ] - [ 0.0003406100000000, 0.0009714500000000, -0.0024608600000000 ] - [ 0.0003887400000000, -0.0004198400000000, -0.0011203700000000 ] - [ 0.0013814400000000, 0.0003568900000000, -0.0019696100000000 ] - [ 0.0006313700000000, 0.0001119800000000, -0.0014018700000000 ] - [ -0.0005314300000000, -0.0001226100000000, -0.0011314700000000 ] - [ 0.0001623300000000, 0.0005389000000000, -0.0011474900000000 ] - [ -0.0000641600000000, 0.0005337700000000, -0.0015581300000000 ] - [ -0.0009054100000000, -0.0006649600000000, -0.0018327700000000 ] - [ -0.0004294400000000, -0.0003186400000000, -0.0015446100000000 ] - [ -0.0003823300000000, -0.0013741400000000, -0.0019648900000000 ] - [ -0.0002333300000000, -0.0006244200000000, -0.0014299900000000 ] - [ -0.0010153000000000, 0.0010386900000000, -0.0020069700000000 ] - [ -0.0011973900000000, -0.0001518800000000, -0.0011436000000000 ] - [ 0.0007296100000000, -0.0009663300000000, -0.0011444400000000 ] - [ 0.0010186000000000, -0.0004527300000000, -0.0018225100000000 ] - [ 0.0004931400000000, -0.0002144800000000, -0.0015581200000000 ] - [ 0.0004680000000000, 0.0011141400000000, -0.0011474000000000 ] - [ 0.0006847200000000, 0.0003846400000000, -0.0021526300000000 ] - [ -0.0001305700000000, 0.0011192900000000, -0.0018327500000000 ] - [ -0.0000315300000000, -0.0007586700000000, -0.0022116800000000 ] - [ -0.0006733900000000, 0.0003976900000000, -0.0021723400000000 ]