# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/57753690-6a0f-49f9-ad02-53b95565ed43/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 Na4Li5(BO3)3 / C2/c (15) / materials id 558455](https://mdr.nims.go.jp/datasets/f253ef44-fc4d-4849-93eb-358fe3103c6e) ## 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: "C2/c" number: 15 Hall_symbol: "-C 2yc"primitive_matrix:- [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ]- [ -0.500000000000000, 0.500000000000000, 0.000000000000000 ]- [ 0.000000000000000, 0.000000000000000, 1.000000000000000 ]supercell_matrix:- [ 1, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 6.196965040000000, -3.654346860000000, -0.009708695000000 ] # a - [ 6.196965040000000, 3.654346860000000, -0.009708695000000 ] # b - [ -2.920929710000000, 0.000000000000000, 9.301737090000000 ] # c points: - symbol: Na # 1 coordinates: [ 0.120619920000000, 0.635829680000000, 0.484660470000000 ] mass: 22.989769 - symbol: Na # 2 coordinates: [ 0.775913670000000, 0.666153570000000, 0.785266120000000 ] mass: 22.989769 - symbol: Na # 3 coordinates: [ 0.333846430000000, 0.224086330000000, 0.714733880000000 ] mass: 22.989769 - symbol: Na # 4 coordinates: [ 0.364170320000000, 0.879380080000000, 0.015339530000000 ] mass: 22.989769 - symbol: Na # 5 coordinates: [ 0.666153570000000, 0.775913670000000, 0.285266120000000 ] mass: 22.989769 - symbol: Na # 6 coordinates: [ 0.224086330000000, 0.333846430000000, 0.214733880000000 ] mass: 22.989769 - symbol: Na # 7 coordinates: [ 0.635829680000000, 0.120619920000000, 0.984660470000000 ] mass: 22.989769 - symbol: Na # 8 coordinates: [ 0.879380080000000, 0.364170320000000, 0.515339530000000 ] mass: 22.989769 - symbol: Li # 9 coordinates: [ 0.985973000000000, 0.923053100000000, 0.860313790000000 ] mass: 6.941000 - symbol: Li # 10 coordinates: [ 0.722906580000000, 0.277093420000000, 0.750000000000000 ] mass: 6.941000 - symbol: Li # 11 coordinates: [ 0.296224840000000, 0.518182060000000, 0.988551090000000 ] mass: 6.941000 - symbol: Li # 12 coordinates: [ 0.076946900000000, 0.014027000000000, 0.639686210000000 ] mass: 6.941000 - symbol: Li # 13 coordinates: [ 0.481817940000000, 0.703775160000000, 0.511448910000000 ] mass: 6.941000 - symbol: Li # 14 coordinates: [ 0.277093420000000, 0.722906580000000, 0.250000000000000 ] mass: 6.941000 - symbol: Li # 15 coordinates: [ 0.923053100000000, 0.985973000000000, 0.360313790000000 ] mass: 6.941000 - symbol: Li # 16 coordinates: [ 0.518182060000000, 0.296224840000000, 0.488551090000000 ] mass: 6.941000 - symbol: Li # 17 coordinates: [ 0.703775160000000, 0.481817940000000, 0.011448910000000 ] mass: 6.941000 - symbol: Li # 18 coordinates: [ 0.014027000000000, 0.076946900000000, 0.139686210000000 ] mass: 6.941000 - symbol: B # 19 coordinates: [ 0.395781230000000, 0.604218770000000, 0.750000000000000 ] mass: 10.811000 - symbol: B # 20 coordinates: [ 0.604218770000000, 0.395781230000000, 0.250000000000000 ] mass: 10.811000 - symbol: B # 21 coordinates: [ 0.748002160000000, 0.917119760000000, 0.596287450000000 ] mass: 10.811000 - symbol: B # 22 coordinates: [ 0.917119760000000, 0.748002160000000, 0.096287450000000 ] mass: 10.811000 - symbol: B # 23 coordinates: [ 0.082880240000000, 0.251997840000000, 0.903712550000000 ] mass: 10.811000 - symbol: B # 24 coordinates: [ 0.251997840000000, 0.082880240000000, 0.403712550000000 ] mass: 10.811000 - symbol: O # 25 coordinates: [ 0.207693260000000, 0.966827340000000, 0.475902840000000 ] mass: 15.999400 - symbol: O # 26 coordinates: [ 0.033172660000000, 0.792306740000000, 0.024097160000000 ] mass: 15.999400 - symbol: O # 27 coordinates: [ 0.467838150000000, 0.477143150000000, 0.855631680000000 ] mass: 15.999400 - symbol: O # 28 coordinates: [ 0.000383160000000, 0.708397320000000, 0.237522930000000 ] mass: 15.999400 - symbol: O # 29 coordinates: [ 0.792306740000000, 0.033172660000000, 0.524097160000000 ] mass: 15.999400 - symbol: O # 30 coordinates: [ 0.708397320000000, 0.000383160000000, 0.737522930000000 ] mass: 15.999400 - symbol: O # 31 coordinates: [ 0.249907990000000, 0.277675270000000, 0.471287940000000 ] mass: 15.999400 - symbol: O # 32 coordinates: [ 0.722324730000000, 0.750092010000000, 0.028712060000000 ] mass: 15.999400 - symbol: O # 33 coordinates: [ 0.207199170000000, 0.792800830000000, 0.750000000000000 ] mass: 15.999400 - symbol: O # 34 coordinates: [ 0.522856850000000, 0.532161850000000, 0.644368320000000 ] mass: 15.999400 - symbol: O # 35 coordinates: [ 0.966827340000000, 0.207693260000000, 0.975902840000000 ] mass: 15.999400 - symbol: O # 36 coordinates: [ 0.477143150000000, 0.467838150000000, 0.355631680000000 ] mass: 15.999400 - symbol: O # 37 coordinates: [ 0.532161850000000, 0.522856850000000, 0.144368320000000 ] mass: 15.999400 - symbol: O # 38 coordinates: [ 0.792800830000000, 0.207199170000000, 0.250000000000000 ] mass: 15.999400 - symbol: O # 39 coordinates: [ 0.999616840000000, 0.291602680000000, 0.762477070000000 ] mass: 15.999400 - symbol: O # 40 coordinates: [ 0.291602680000000, 0.999616840000000, 0.262477070000000 ] mass: 15.999400 - symbol: O # 41 coordinates: [ 0.277675270000000, 0.249907990000000, 0.971287940000000 ] mass: 15.999400 - symbol: O # 42 coordinates: [ 0.750092010000000, 0.722324730000000, 0.528712060000000 ] mass: 15.999400 reciprocal_lattice: # without 2pi - [ 0.080724371201431, -0.136823355624211, 0.025349051675178 ] # a* - [ 0.080724371201431, 0.136823355624211, 0.025349051675178 ] # b* - [ 0.000168512244859, 0.000000000000000, 0.107559717366996 ] # c*unit_cell: lattice: - [ 12.393930080000001, 0.000000000000000, -0.019417390000000 ] # a - [ 0.000000000000000, 7.308693720000000, 0.000000000000000 ] # b - [ -2.920929710000000, 0.000000000000000, 9.301737090000000 ] # c points: - symbol: Na # 1 coordinates: [ 0.378224800000000, 0.257604880000000, 0.484660470000000 ] mass: 22.989769 reduced_to: 1 - symbol: Na # 2 coordinates: [ 0.721033620000000, 0.945119950000000, 0.785266120000000 ] mass: 22.989769 reduced_to: 2 - symbol: Na # 3 coordinates: [ 0.278966380000000, 0.945119950000000, 0.714733880000000 ] mass: 22.989769 reduced_to: 3 - symbol: Na # 4 coordinates: [ 0.621775200000000, 0.257604880000000, 0.015339530000000 ] mass: 22.989769 reduced_to: 4 - symbol: Na # 5 coordinates: [ 0.721033620000000, 0.054880050000000, 0.285266120000000 ] mass: 22.989769 reduced_to: 5 - symbol: Na # 6 coordinates: [ 0.278966380000000, 0.054880050000000, 0.214733880000000 ] mass: 22.989769 reduced_to: 6 - symbol: Na # 7 coordinates: [ 0.378224800000000, 0.742395120000000, 0.984660470000000 ] mass: 22.989769 reduced_to: 7 - symbol: Na # 8 coordinates: [ 0.621775200000000, 0.742395120000000, 0.515339530000000 ] mass: 22.989769 reduced_to: 8 - symbol: Na # 9 coordinates: [ 0.878224800000000, 0.757604880000000, 0.484660470000000 ] mass: 22.989769 reduced_to: 1 - symbol: Na # 10 coordinates: [ 0.221033620000000, 0.445119950000000, 0.785266120000000 ] mass: 22.989769 reduced_to: 2 - symbol: Na # 11 coordinates: [ 0.778966380000000, 0.445119950000000, 0.714733880000000 ] mass: 22.989769 reduced_to: 3 - symbol: Na # 12 coordinates: [ 0.121775200000000, 0.757604880000000, 0.015339530000000 ] mass: 22.989769 reduced_to: 4 - symbol: Na # 13 coordinates: [ 0.221033620000000, 0.554880050000000, 0.285266120000000 ] mass: 22.989769 reduced_to: 5 - symbol: Na # 14 coordinates: [ 0.778966380000000, 0.554880050000000, 0.214733880000000 ] mass: 22.989769 reduced_to: 6 - symbol: Na # 15 coordinates: [ 0.878224800000000, 0.242395120000000, 0.984660470000000 ] mass: 22.989769 reduced_to: 7 - symbol: Na # 16 coordinates: [ 0.121775200000000, 0.242395120000000, 0.515339530000000 ] mass: 22.989769 reduced_to: 8 - symbol: Li # 17 coordinates: [ 0.954513050000000, 0.968540050000000, 0.860313790000000 ] mass: 6.941000 reduced_to: 17 - symbol: Li # 18 coordinates: [ 0.500000000000000, 0.777093420000000, 0.750000000000000 ] mass: 6.941000 reduced_to: 18 - symbol: Li # 19 coordinates: [ 0.407203450000000, 0.110978610000000, 0.988551090000000 ] mass: 6.941000 reduced_to: 19 - symbol: Li # 20 coordinates: [ 0.045486950000000, 0.968540050000000, 0.639686210000000 ] mass: 6.941000 reduced_to: 20 - symbol: Li # 21 coordinates: [ 0.592796550000000, 0.110978610000000, 0.511448910000000 ] mass: 6.941000 reduced_to: 21 - symbol: Li # 22 coordinates: [ 0.500000000000000, 0.222906580000000, 0.250000000000000 ] mass: 6.941000 reduced_to: 22 - symbol: Li # 23 coordinates: [ 0.954513050000000, 0.031459950000000, 0.360313790000000 ] mass: 6.941000 reduced_to: 23 - symbol: Li # 24 coordinates: [ 0.407203450000000, 0.889021390000000, 0.488551090000000 ] mass: 6.941000 reduced_to: 24 - symbol: Li # 25 coordinates: [ 0.592796550000000, 0.889021390000000, 0.011448910000000 ] mass: 6.941000 reduced_to: 25 - symbol: Li # 26 coordinates: [ 0.045486950000000, 0.031459950000000, 0.139686210000000 ] mass: 6.941000 reduced_to: 26 - symbol: Li # 27 coordinates: [ 0.454513050000000, 0.468540050000000, 0.860313790000000 ] mass: 6.941000 reduced_to: 17 - symbol: Li # 28 coordinates: [ 0.000000000000000, 0.277093420000000, 0.750000000000000 ] mass: 6.941000 reduced_to: 18 - symbol: Li # 29 coordinates: [ 0.907203450000000, 0.610978610000000, 0.988551090000000 ] mass: 6.941000 reduced_to: 19 - symbol: Li # 30 coordinates: [ 0.545486950000000, 0.468540050000000, 0.639686210000000 ] mass: 6.941000 reduced_to: 20 - symbol: Li # 31 coordinates: [ 0.092796550000000, 0.610978610000000, 0.511448910000000 ] mass: 6.941000 reduced_to: 21 - symbol: Li # 32 coordinates: [ 0.000000000000000, 0.722906580000000, 0.250000000000000 ] mass: 6.941000 reduced_to: 22 - symbol: Li # 33 coordinates: [ 0.454513050000000, 0.531459950000000, 0.360313790000000 ] mass: 6.941000 reduced_to: 23 - symbol: Li # 34 coordinates: [ 0.907203450000000, 0.389021390000000, 0.488551090000000 ] mass: 6.941000 reduced_to: 24 - symbol: Li # 35 coordinates: [ 0.092796550000000, 0.389021390000000, 0.011448910000000 ] mass: 6.941000 reduced_to: 25 - symbol: Li # 36 coordinates: [ 0.545486950000000, 0.531459950000000, 0.139686210000000 ] mass: 6.941000 reduced_to: 26 - symbol: B # 37 coordinates: [ 0.500000000000000, 0.104218770000000, 0.750000000000000 ] mass: 10.811000 reduced_to: 37 - symbol: B # 38 coordinates: [ 0.500000000000000, 0.895781230000000, 0.250000000000000 ] mass: 10.811000 reduced_to: 38 - symbol: B # 39 coordinates: [ 0.832560960000000, 0.084558800000000, 0.596287450000000 ] mass: 10.811000 reduced_to: 39 - symbol: B # 40 coordinates: [ 0.832560960000000, 0.915441200000000, 0.096287450000000 ] mass: 10.811000 reduced_to: 40 - symbol: B # 41 coordinates: [ 0.167439040000000, 0.084558800000000, 0.903712550000000 ] mass: 10.811000 reduced_to: 41 - symbol: B # 42 coordinates: [ 0.167439040000000, 0.915441200000000, 0.403712550000000 ] mass: 10.811000 reduced_to: 42 - symbol: B # 43 coordinates: [ 0.000000000000000, 0.604218770000000, 0.750000000000000 ] mass: 10.811000 reduced_to: 37 - symbol: B # 44 coordinates: [ 0.000000000000000, 0.395781230000000, 0.250000000000000 ] mass: 10.811000 reduced_to: 38 - symbol: B # 45 coordinates: [ 0.332560960000000, 0.584558800000000, 0.596287450000000 ] mass: 10.811000 reduced_to: 39 - symbol: B # 46 coordinates: [ 0.332560960000000, 0.415441200000000, 0.096287450000000 ] mass: 10.811000 reduced_to: 40 - symbol: B # 47 coordinates: [ 0.667439040000000, 0.584558800000000, 0.903712550000000 ] mass: 10.811000 reduced_to: 41 - symbol: B # 48 coordinates: [ 0.667439040000000, 0.415441200000000, 0.403712550000000 ] mass: 10.811000 reduced_to: 42 - symbol: O # 49 coordinates: [ 0.587260300000000, 0.379567040000000, 0.475902840000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 50 coordinates: [ 0.412739700000000, 0.379567040000000, 0.024097160000000 ] mass: 15.999400 reduced_to: 50 - symbol: O # 51 coordinates: [ 0.472490650000000, 0.004652500000000, 0.855631680000000 ] mass: 15.999400 reduced_to: 51 - symbol: O # 52 coordinates: [ 0.854390240000000, 0.854007080000000, 0.237522930000000 ] mass: 15.999400 reduced_to: 52 - symbol: O # 53 coordinates: [ 0.412739700000000, 0.620432960000000, 0.524097160000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 54 coordinates: [ 0.854390240000000, 0.145992920000000, 0.737522930000000 ] mass: 15.999400 reduced_to: 54 - symbol: O # 55 coordinates: [ 0.263791630000000, 0.013883640000000, 0.471287940000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 56 coordinates: [ 0.736208370000000, 0.013883640000000, 0.028712060000000 ] mass: 15.999400 reduced_to: 56 - symbol: O # 57 coordinates: [ 0.500000000000000, 0.292800830000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 58 coordinates: [ 0.527509350000000, 0.004652500000000, 0.644368320000000 ] mass: 15.999400 reduced_to: 58 - symbol: O # 59 coordinates: [ 0.587260300000000, 0.620432960000000, 0.975902840000000 ] mass: 15.999400 reduced_to: 59 - symbol: O # 60 coordinates: [ 0.472490650000000, 0.995347500000000, 0.355631680000000 ] mass: 15.999400 reduced_to: 60 - symbol: O # 61 coordinates: [ 0.527509350000000, 0.995347500000000, 0.144368320000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 62 coordinates: [ 0.500000000000000, 0.707199170000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 62 - symbol: O # 63 coordinates: [ 0.145609760000000, 0.145992920000000, 0.762477070000000 ] mass: 15.999400 reduced_to: 63 - symbol: O # 64 coordinates: [ 0.145609760000000, 0.854007080000000, 0.262477070000000 ] mass: 15.999400 reduced_to: 64 - symbol: O # 65 coordinates: [ 0.263791630000000, 0.986116360000000, 0.971287940000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 66 coordinates: [ 0.736208370000000, 0.986116360000000, 0.528712060000000 ] mass: 15.999400 reduced_to: 66 - symbol: O # 67 coordinates: [ 0.087260300000000, 0.879567040000000, 0.475902840000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 68 coordinates: [ 0.912739700000000, 0.879567040000000, 0.024097160000000 ] mass: 15.999400 reduced_to: 50 - symbol: O # 69 coordinates: [ 0.972490650000000, 0.504652500000000, 0.855631680000000 ] mass: 15.999400 reduced_to: 51 - symbol: O # 70 coordinates: [ 0.354390240000000, 0.354007080000000, 0.237522930000000 ] mass: 15.999400 reduced_to: 52 - symbol: O # 71 coordinates: [ 0.912739700000000, 0.120432960000000, 0.524097160000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 72 coordinates: [ 0.354390240000000, 0.645992920000000, 0.737522930000000 ] mass: 15.999400 reduced_to: 54 - symbol: O # 73 coordinates: [ 0.763791630000000, 0.513883640000000, 0.471287940000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 74 coordinates: [ 0.236208370000000, 0.513883640000000, 0.028712060000000 ] mass: 15.999400 reduced_to: 56 - symbol: O # 75 coordinates: [ 0.000000000000000, 0.792800830000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 76 coordinates: [ 0.027509350000000, 0.504652500000000, 0.644368320000000 ] mass: 15.999400 reduced_to: 58 - symbol: O # 77 coordinates: [ 0.087260300000000, 0.120432960000000, 0.975902840000000 ] mass: 15.999400 reduced_to: 59 - symbol: O # 78 coordinates: [ 0.972490650000000, 0.495347500000000, 0.355631680000000 ] mass: 15.999400 reduced_to: 60 - symbol: O # 79 coordinates: [ 0.027509350000000, 0.495347500000000, 0.144368320000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 80 coordinates: [ 0.000000000000000, 0.207199170000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 62 - symbol: O # 81 coordinates: [ 0.645609760000000, 0.645992920000000, 0.762477070000000 ] mass: 15.999400 reduced_to: 63 - symbol: O # 82 coordinates: [ 0.645609760000000, 0.354007080000000, 0.262477070000000 ] mass: 15.999400 reduced_to: 64 - symbol: O # 83 coordinates: [ 0.763791630000000, 0.486116360000000, 0.971287940000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 84 coordinates: [ 0.236208370000000, 0.486116360000000, 0.528712060000000 ] mass: 15.999400 reduced_to: 66supercell: lattice: - [ 12.393930080000001, 0.000000000000000, -0.019417390000000 ] # a - [ 0.000000000000000, 7.308693720000000, 0.000000000000000 ] # b - [ -2.920929710000000, 0.000000000000000, 9.301737090000000 ] # c points: - symbol: Na # 1 coordinates: [ 0.378224800000000, 0.257604880000000, 0.484660470000000 ] mass: 22.989769 reduced_to: 1 - symbol: Na # 2 coordinates: [ 0.721033620000000, 0.945119950000000, 0.785266120000000 ] mass: 22.989769 reduced_to: 2 - symbol: Na # 3 coordinates: [ 0.278966380000000, 0.945119950000000, 0.714733880000000 ] mass: 22.989769 reduced_to: 3 - symbol: Na # 4 coordinates: [ 0.621775200000000, 0.257604880000000, 0.015339530000000 ] mass: 22.989769 reduced_to: 4 - symbol: Na # 5 coordinates: [ 0.721033620000000, 0.054880050000000, 0.285266120000000 ] mass: 22.989769 reduced_to: 5 - symbol: Na # 6 coordinates: [ 0.278966380000000, 0.054880050000000, 0.214733880000000 ] mass: 22.989769 reduced_to: 6 - symbol: Na # 7 coordinates: [ 0.378224800000000, 0.742395120000000, 0.984660470000000 ] mass: 22.989769 reduced_to: 7 - symbol: Na # 8 coordinates: [ 0.621775200000000, 0.742395120000000, 0.515339530000000 ] mass: 22.989769 reduced_to: 8 - symbol: Na # 9 coordinates: [ 0.878224800000000, 0.757604880000000, 0.484660470000000 ] mass: 22.989769 reduced_to: 1 - symbol: Na # 10 coordinates: [ 0.221033620000000, 0.445119950000000, 0.785266120000000 ] mass: 22.989769 reduced_to: 2 - symbol: Na # 11 coordinates: [ 0.778966380000000, 0.445119950000000, 0.714733880000000 ] mass: 22.989769 reduced_to: 3 - symbol: Na # 12 coordinates: [ 0.121775200000000, 0.757604880000000, 0.015339530000000 ] mass: 22.989769 reduced_to: 4 - symbol: Na # 13 coordinates: [ 0.221033620000000, 0.554880050000000, 0.285266120000000 ] mass: 22.989769 reduced_to: 5 - symbol: Na # 14 coordinates: [ 0.778966380000000, 0.554880050000000, 0.214733880000000 ] mass: 22.989769 reduced_to: 6 - symbol: Na # 15 coordinates: [ 0.878224800000000, 0.242395120000000, 0.984660470000000 ] mass: 22.989769 reduced_to: 7 - symbol: Na # 16 coordinates: [ 0.121775200000000, 0.242395120000000, 0.515339530000000 ] mass: 22.989769 reduced_to: 8 - symbol: Li # 17 coordinates: [ 0.954513050000000, 0.968540050000000, 0.860313790000000 ] mass: 6.941000 reduced_to: 17 - symbol: Li # 18 coordinates: [ 0.500000000000000, 0.777093420000000, 0.750000000000000 ] mass: 6.941000 reduced_to: 18 - symbol: Li # 19 coordinates: [ 0.407203450000000, 0.110978610000000, 0.988551090000000 ] mass: 6.941000 reduced_to: 19 - symbol: Li # 20 coordinates: [ 0.045486950000000, 0.968540050000000, 0.639686210000000 ] mass: 6.941000 reduced_to: 20 - symbol: Li # 21 coordinates: [ 0.592796550000000, 0.110978610000000, 0.511448910000000 ] mass: 6.941000 reduced_to: 21 - symbol: Li # 22 coordinates: [ 0.500000000000000, 0.222906580000000, 0.250000000000000 ] mass: 6.941000 reduced_to: 22 - symbol: Li # 23 coordinates: [ 0.954513050000000, 0.031459950000000, 0.360313790000000 ] mass: 6.941000 reduced_to: 23 - symbol: Li # 24 coordinates: [ 0.407203450000000, 0.889021390000000, 0.488551090000000 ] mass: 6.941000 reduced_to: 24 - symbol: Li # 25 coordinates: [ 0.592796550000000, 0.889021390000000, 0.011448910000000 ] mass: 6.941000 reduced_to: 25 - symbol: Li # 26 coordinates: [ 0.045486950000000, 0.031459950000000, 0.139686210000000 ] mass: 6.941000 reduced_to: 26 - symbol: Li # 27 coordinates: [ 0.454513050000000, 0.468540050000000, 0.860313790000000 ] mass: 6.941000 reduced_to: 17 - symbol: Li # 28 coordinates: [ 0.000000000000000, 0.277093420000000, 0.750000000000000 ] mass: 6.941000 reduced_to: 18 - symbol: Li # 29 coordinates: [ 0.907203450000000, 0.610978610000000, 0.988551090000000 ] mass: 6.941000 reduced_to: 19 - symbol: Li # 30 coordinates: [ 0.545486950000000, 0.468540050000000, 0.639686210000000 ] mass: 6.941000 reduced_to: 20 - symbol: Li # 31 coordinates: [ 0.092796550000000, 0.610978610000000, 0.511448910000000 ] mass: 6.941000 reduced_to: 21 - symbol: Li # 32 coordinates: [ 0.000000000000000, 0.722906580000000, 0.250000000000000 ] mass: 6.941000 reduced_to: 22 - symbol: Li # 33 coordinates: [ 0.454513050000000, 0.531459950000000, 0.360313790000000 ] mass: 6.941000 reduced_to: 23 - symbol: Li # 34 coordinates: [ 0.907203450000000, 0.389021390000000, 0.488551090000000 ] mass: 6.941000 reduced_to: 24 - symbol: Li # 35 coordinates: [ 0.092796550000000, 0.389021390000000, 0.011448910000000 ] mass: 6.941000 reduced_to: 25 - symbol: Li # 36 coordinates: [ 0.545486950000000, 0.531459950000000, 0.139686210000000 ] mass: 6.941000 reduced_to: 26 - symbol: B # 37 coordinates: [ 0.500000000000000, 0.104218770000000, 0.750000000000000 ] mass: 10.811000 reduced_to: 37 - symbol: B # 38 coordinates: [ 0.500000000000000, 0.895781230000000, 0.250000000000000 ] mass: 10.811000 reduced_to: 38 - symbol: B # 39 coordinates: [ 0.832560960000000, 0.084558800000000, 0.596287450000000 ] mass: 10.811000 reduced_to: 39 - symbol: B # 40 coordinates: [ 0.832560960000000, 0.915441200000000, 0.096287450000000 ] mass: 10.811000 reduced_to: 40 - symbol: B # 41 coordinates: [ 0.167439040000000, 0.084558800000000, 0.903712550000000 ] mass: 10.811000 reduced_to: 41 - symbol: B # 42 coordinates: [ 0.167439040000000, 0.915441200000000, 0.403712550000000 ] mass: 10.811000 reduced_to: 42 - symbol: B # 43 coordinates: [ 0.000000000000000, 0.604218770000000, 0.750000000000000 ] mass: 10.811000 reduced_to: 37 - symbol: B # 44 coordinates: [ 0.000000000000000, 0.395781230000000, 0.250000000000000 ] mass: 10.811000 reduced_to: 38 - symbol: B # 45 coordinates: [ 0.332560960000000, 0.584558800000000, 0.596287450000000 ] mass: 10.811000 reduced_to: 39 - symbol: B # 46 coordinates: [ 0.332560960000000, 0.415441200000000, 0.096287450000000 ] mass: 10.811000 reduced_to: 40 - symbol: B # 47 coordinates: [ 0.667439040000000, 0.584558800000000, 0.903712550000000 ] mass: 10.811000 reduced_to: 41 - symbol: B # 48 coordinates: [ 0.667439040000000, 0.415441200000000, 0.403712550000000 ] mass: 10.811000 reduced_to: 42 - symbol: O # 49 coordinates: [ 0.587260300000000, 0.379567040000000, 0.475902840000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 50 coordinates: [ 0.412739700000000, 0.379567040000000, 0.024097160000000 ] mass: 15.999400 reduced_to: 50 - symbol: O # 51 coordinates: [ 0.472490650000000, 0.004652500000000, 0.855631680000000 ] mass: 15.999400 reduced_to: 51 - symbol: O # 52 coordinates: [ 0.854390240000000, 0.854007080000000, 0.237522930000000 ] mass: 15.999400 reduced_to: 52 - symbol: O # 53 coordinates: [ 0.412739700000000, 0.620432960000000, 0.524097160000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 54 coordinates: [ 0.854390240000000, 0.145992920000000, 0.737522930000000 ] mass: 15.999400 reduced_to: 54 - symbol: O # 55 coordinates: [ 0.263791630000000, 0.013883640000000, 0.471287940000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 56 coordinates: [ 0.736208370000000, 0.013883640000000, 0.028712060000000 ] mass: 15.999400 reduced_to: 56 - symbol: O # 57 coordinates: [ 0.500000000000000, 0.292800830000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 58 coordinates: [ 0.527509350000000, 0.004652500000000, 0.644368320000000 ] mass: 15.999400 reduced_to: 58 - symbol: O # 59 coordinates: [ 0.587260300000000, 0.620432960000000, 0.975902840000000 ] mass: 15.999400 reduced_to: 59 - symbol: O # 60 coordinates: [ 0.472490650000000, 0.995347500000000, 0.355631680000000 ] mass: 15.999400 reduced_to: 60 - symbol: O # 61 coordinates: [ 0.527509350000000, 0.995347500000000, 0.144368320000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 62 coordinates: [ 0.500000000000000, 0.707199170000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 62 - symbol: O # 63 coordinates: [ 0.145609760000000, 0.145992920000000, 0.762477070000000 ] mass: 15.999400 reduced_to: 63 - symbol: O # 64 coordinates: [ 0.145609760000000, 0.854007080000000, 0.262477070000000 ] mass: 15.999400 reduced_to: 64 - symbol: O # 65 coordinates: [ 0.263791630000000, 0.986116360000000, 0.971287940000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 66 coordinates: [ 0.736208370000000, 0.986116360000000, 0.528712060000000 ] mass: 15.999400 reduced_to: 66 - symbol: O # 67 coordinates: [ 0.087260300000000, 0.879567040000000, 0.475902840000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 68 coordinates: [ 0.912739700000000, 0.879567040000000, 0.024097160000000 ] mass: 15.999400 reduced_to: 50 - symbol: O # 69 coordinates: [ 0.972490650000000, 0.504652500000000, 0.855631680000000 ] mass: 15.999400 reduced_to: 51 - symbol: O # 70 coordinates: [ 0.354390240000000, 0.354007080000000, 0.237522930000000 ] mass: 15.999400 reduced_to: 52 - symbol: O # 71 coordinates: [ 0.912739700000000, 0.120432960000000, 0.524097160000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 72 coordinates: [ 0.354390240000000, 0.645992920000000, 0.737522930000000 ] mass: 15.999400 reduced_to: 54 - symbol: O # 73 coordinates: [ 0.763791630000000, 0.513883640000000, 0.471287940000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 74 coordinates: [ 0.236208370000000, 0.513883640000000, 0.028712060000000 ] mass: 15.999400 reduced_to: 56 - symbol: O # 75 coordinates: [ 0.000000000000000, 0.792800830000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 76 coordinates: [ 0.027509350000000, 0.504652500000000, 0.644368320000000 ] mass: 15.999400 reduced_to: 58 - symbol: O # 77 coordinates: [ 0.087260300000000, 0.120432960000000, 0.975902840000000 ] mass: 15.999400 reduced_to: 59 - symbol: O # 78 coordinates: [ 0.972490650000000, 0.495347500000000, 0.355631680000000 ] mass: 15.999400 reduced_to: 60 - symbol: O # 79 coordinates: [ 0.027509350000000, 0.495347500000000, 0.144368320000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 80 coordinates: [ 0.000000000000000, 0.207199170000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 62 - symbol: O # 81 coordinates: [ 0.645609760000000, 0.645992920000000, 0.762477070000000 ] mass: 15.999400 reduced_to: 63 - symbol: O # 82 coordinates: [ 0.645609760000000, 0.354007080000000, 0.262477070000000 ] mass: 15.999400 reduced_to: 64 - symbol: O # 83 coordinates: [ 0.763791630000000, 0.486116360000000, 0.971287940000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 84 coordinates: [ 0.236208370000000, 0.486116360000000, 0.528712060000000 ] mass: 15.999400 reduced_to: 66displacements:- atom: 1 displacement: [ 0.0099999877275060, 0.0000000000000000, -0.0000156668353337 ] forces: - [ -0.0266053500000000, -0.0122399100000000, -0.0029598900000000 ] - [ 0.0005337800000000, 0.0002635700000000, 0.0007028300000000 ] - [ -0.0001115700000000, 0.0013279400000000, -0.0019695500000000 ] - [ 0.0006009600000000, -0.0003675900000000, -0.0002498400000000 ] - [ 0.0008661300000000, -0.0006170300000000, -0.0000103100000000 ] - [ -0.0027099700000000, 0.0005026000000000, 0.0016900100000000 ] - [ -0.0008660800000000, 0.0002225300000000, -0.0006047200000000 ] - [ 0.0005631400000000, 0.0006203200000000, 0.0001777400000000 ] - [ 0.0007329900000000, -0.0002411600000000, 0.0001715900000000 ] - [ 0.0004383800000000, 0.0001065100000000, -0.0013316700000000 ] - [ 0.0009631600000000, 0.0005295400000000, 0.0007431500000000 ] - [ 0.0002191500000000, -0.0002129800000000, 0.0002959800000000 ] - [ -0.0005570700000000, -0.0025603400000000, 0.0026239000000000 ] - [ 0.0009092100000000, -0.0002627000000000, -0.0001933600000000 ] - [ 0.0001500100000000, 0.0003571500000000, 0.0006014100000000 ] - [ 0.0062475300000000, 0.0005574400000000, -0.0008006900000000 ] - [ 0.0000678200000000, 0.0002860500000000, 0.0005174600000000 ] - [ -0.0010443000000000, -0.0008281000000000, 0.0000210500000000 ] - [ -0.0009326800000000, 0.0004607300000000, -0.0005514100000000 ] - [ 0.0012589900000000, 0.0002963500000000, -0.0005951500000000 ] - [ 0.0076072300000000, -0.0039474200000000, 0.0010469900000000 ] - [ 0.0015140000000000, 0.0000357000000000, -0.0037163900000000 ] - [ 0.0006876700000000, -0.0003317400000000, 0.0004411300000000 ] - [ -0.0041067600000000, -0.0020188000000000, -0.0000962400000000 ] - [ 0.0005132600000000, -0.0004599100000000, -0.0000714100000000 ] - [ 0.0008427500000000, -0.0002850900000000, 0.0004833300000000 ] - [ -0.0012780700000000, 0.0007666600000000, -0.0002315500000000 ] - [ 0.0006143600000000, -0.0001719700000000, 0.0000783800000000 ] - [ 0.0002546100000000, 0.0003778500000000, 0.0003061300000000 ] - [ 0.0020627300000000, 0.0058198400000000, 0.0046138300000000 ] - [ 0.0016575800000000, 0.0002331600000000, -0.0000307800000000 ] - [ 0.0007540100000000, 0.0002377100000000, 0.0005140700000000 ] - [ -0.0007009000000000, 0.0048502200000000, -0.0027548800000000 ] - [ 0.0009343600000000, -0.0004900800000000, -0.0000032600000000 ] - [ 0.0000780300000000, -0.0005437400000000, 0.0003356700000000 ] - [ 0.0002324800000000, -0.0002766400000000, -0.0009172500000000 ] - [ -0.0029055900000000, -0.0003280000000000, 0.0048603500000000 ] - [ 0.0015626400000000, -0.0013432900000000, -0.0021357600000000 ] - [ 0.0021961800000000, 0.0003743600000000, 0.0005028400000000 ] - [ 0.0011313500000000, -0.0000169700000000, 0.0005674100000000 ] - [ -0.0005625900000000, 0.0002750800000000, -0.0014179700000000 ] - [ 0.0044965200000000, 0.0034603500000000, 0.0020678800000000 ] - [ 0.0005095700000000, 0.0001799200000000, -0.0006780500000000 ] - [ 0.0004607500000000, -0.0012100700000000, 0.0002698800000000 ] - [ -0.0082266200000000, -0.0076881300000000, -0.0036760500000000 ] - [ -0.0004859300000000, 0.0008951200000000, -0.0007086200000000 ] - [ 0.0004544100000000, -0.0007517000000000, 0.0008675100000000 ] - [ 0.0054911700000000, 0.0014819500000000, -0.0029375100000000 ] - [ -0.0066242400000000, -0.0030168300000000, 0.0020387800000000 ] - [ 0.0013001300000000, -0.0002239300000000, -0.0000680100000000 ] - [ 0.0022336800000000, 0.0007921100000000, -0.0007591700000000 ] - [ -0.0007668700000000, -0.0001563200000000, -0.0004409500000000 ] - [ 0.0071958800000000, -0.0004645300000000, -0.0012454600000000 ] - [ -0.0007852400000000, 0.0001502400000000, -0.0005799700000000 ] - [ 0.0084967300000000, 0.0061693600000000, 0.0011607100000000 ] - [ -0.0007956100000000, 0.0004953000000000, -0.0006457900000000 ] - [ 0.0033219900000000, -0.0001795000000000, -0.0016431600000000 ] - [ 0.0011243000000000, 0.0025462300000000, -0.0030219500000000 ] - [ -0.0002269200000000, -0.0000106600000000, 0.0005534400000000 ] - [ 0.0007027400000000, 0.0032883500000000, 0.0027741500000000 ] - [ -0.0010437500000000, -0.0000756800000000, 0.0013207500000000 ] - [ -0.0000230200000000, 0.0004257300000000, 0.0011996500000000 ] - [ -0.0009328800000000, -0.0002627900000000, 0.0014349100000000 ] - [ -0.0010296100000000, -0.0011441800000000, -0.0026958200000000 ] - [ 0.0007868800000000, -0.0003737200000000, 0.0009284600000000 ] - [ -0.0018722300000000, -0.0001917800000000, -0.0008809200000000 ] - [ -0.0030804200000000, -0.0004311700000000, 0.0005659400000000 ] - [ -0.0006319400000000, 0.0000797600000000, -0.0007637400000000 ] - [ -0.0002845200000000, -0.0001278400000000, 0.0002189300000000 ] - [ 0.0040000100000000, 0.0002331700000000, 0.0003789900000000 ] - [ -0.0015926300000000, -0.0001003600000000, -0.0001394900000000 ] - [ 0.0024621100000000, 0.0012054100000000, 0.0024537600000000 ] - [ -0.0038276500000000, -0.0011029400000000, -0.0000520100000000 ] - [ 0.0013174600000000, -0.0005138600000000, 0.0006077300000000 ] - [ -0.0006257600000000, 0.0006687900000000, 0.0001103600000000 ] - [ -0.0016644700000000, 0.0001175300000000, 0.0002804000000000 ] - [ -0.0005166800000000, -0.0000960000000000, 0.0003985000000000 ] - [ -0.0011306200000000, 0.0002022100000000, -0.0001064400000000 ] - [ -0.0007288400000000, 0.0002119200000000, -0.0008407000000000 ] - [ -0.0013304400000000, -0.0001879300000000, -0.0008651700000000 ] - [ -0.0003228200000000, 0.0000418300000000, -0.0011097700000000 ] - [ -0.0018824900000000, -0.0000865000000000, 0.0022026400000000 ] - [ -0.0010710100000000, -0.0000254400000000, -0.0003632800000000 ] - [ 0.0033353500000000, 0.0048187600000000, 0.0017355000000000 ]- atom: 1 displacement: [ -0.0099999877275060, 0.0000000000000000, 0.0000156668353337 ] forces: - [ 0.0260623700000000, 0.0118394400000000, 0.0031675200000000 ] - [ -0.0005813700000000, 0.0004942000000000, -0.0004587900000000 ] - [ 0.0001590000000000, -0.0005769900000000, 0.0017309100000000 ] - [ 0.0001265700000000, -0.0003043700000000, 0.0000072800000000 ] - [ -0.0009084200000000, -0.0001442500000000, 0.0002495400000000 ] - [ 0.0027694400000000, -0.0012468100000000, -0.0019067800000000 ] - [ 0.0001400800000000, 0.0004468500000000, 0.0008412600000000 ] - [ 0.0001607900000000, 0.0000564800000000, -0.0004131500000000 ] - [ -0.0014607000000000, -0.0004298800000000, 0.0000660400000000 ] - [ -0.0004789000000000, 0.0006573600000000, 0.0015801400000000 ] - [ -0.0009143900000000, 0.0002296700000000, -0.0009810200000000 ] - [ 0.0005105900000000, -0.0004588200000000, -0.0005325100000000 ] - [ 0.0005333300000000, 0.0018096900000000, -0.0023847300000000 ] - [ -0.0008686800000000, -0.0004957400000000, -0.0000501800000000 ] - [ -0.0008799100000000, 0.0003142300000000, -0.0003654300000000 ] - [ -0.0055951800000000, 0.0001094500000000, 0.0005761200000000 ] - [ -0.0007953000000000, 0.0004005900000000, 0.0000252600000000 ] - [ 0.0010418800000000, 0.0003952800000000, -0.0000240400000000 ] - [ 0.0004106100000000, 0.0003772500000000, 0.0004501100000000 ] - [ -0.0005261200000000, 0.0003873700000000, 0.0000528400000000 ] - [ -0.0069884100000000, 0.0047103000000000, -0.0009307800000000 ] - [ -0.0015066500000000, 0.0003924700000000, 0.0036755100000000 ] - [ -0.0014200800000000, -0.0003571400000000, 0.0001033000000000 ] - [ 0.0035675000000000, 0.0012221500000000, -0.0000047100000000 ] - [ 0.0000077600000000, -0.0003783000000000, 0.0001663000000000 ] - [ -0.0001074500000000, -0.0004077000000000, -0.0010299900000000 ] - [ 0.0005475100000000, -0.0000742900000000, 0.0007660700000000 ] - [ -0.0006144700000000, -0.0002609200000000, -0.0000775300000000 ] - [ -0.0007805700000000, 0.0004602700000000, -0.0004053500000000 ] - [ -0.0013456000000000, -0.0050836600000000, -0.0051026300000000 ] - [ -0.0011291200000000, 0.0006047200000000, 0.0001406500000000 ] - [ -0.0007518100000000, 0.0001995300000000, -0.0005142800000000 ] - [ -0.0000695900000000, -0.0055137500000000, 0.0032765600000000 ] - [ -0.0014674700000000, -0.0003548500000000, -0.0000953600000000 ] - [ 0.0004511900000000, -0.0002930000000000, -0.0002384400000000 ] - [ 0.0004945400000000, -0.0004096200000000, 0.0003659000000000 ] - [ 0.0028811600000000, 0.0011501500000000, -0.0048822800000000 ] - [ -0.0015569800000000, 0.0005426400000000, 0.0021397000000000 ] - [ -0.0022051600000000, -0.0010879400000000, -0.0001889900000000 ] - [ -0.0011463500000000, 0.0007332100000000, -0.0002597000000000 ] - [ 0.0005821700000000, -0.0009947200000000, 0.0011171700000000 ] - [ -0.0044654100000000, -0.0027662200000000, -0.0023622300000000 ] - [ -0.0005096000000000, 0.0006208800000000, 0.0006805800000000 ] - [ -0.0004604300000000, 0.0004189000000000, -0.0002753700000000 ] - [ 0.0082679200000000, 0.0069693000000000, 0.0039733600000000 ] - [ 0.0004725000000000, -0.0001884100000000, 0.0010410700000000 ] - [ -0.0004473400000000, 0.0000356600000000, -0.0011781500000000 ] - [ -0.0054448400000000, -0.0007579100000000, 0.0026195300000000 ] - [ 0.0059705400000000, 0.0030382100000000, -0.0011830500000000 ] - [ -0.0005850500000000, 0.0002593900000000, -0.0008071600000000 ] - [ -0.0016190300000000, -0.0008523600000000, 0.0010656200000000 ] - [ 0.0012075300000000, -0.0001693200000000, 0.0003825000000000 ] - [ -0.0064967400000000, 0.0004488900000000, 0.0003881100000000 ] - [ 0.0012264200000000, 0.0001760600000000, 0.0005157900000000 ] - [ -0.0091474700000000, -0.0062532700000000, -0.0007562600000000 ] - [ 0.0011971500000000, -0.0001807100000000, 0.0002034100000000 ] - [ -0.0033000900000000, 0.0011850200000000, 0.0016736000000000 ] - [ -0.0016951400000000, -0.0026110300000000, 0.0027340700000000 ] - [ -0.0004719400000000, -0.0000227600000000, 0.0003128000000000 ] - [ -0.0000370500000000, -0.0032401100000000, -0.0024805500000000 ] - [ 0.0004285700000000, 0.0001308500000000, -0.0016210600000000 ] - [ 0.0000293500000000, -0.0014305100000000, -0.0011989700000000 ] - [ 0.0004927600000000, 0.0005922200000000, -0.0013838700000000 ] - [ 0.0005804000000000, 0.0008188800000000, 0.0027479700000000 ] - [ -0.0011892700000000, 0.0000602400000000, -0.0004874100000000 ] - [ 0.0022649500000000, -0.0001185900000000, 0.0004313000000000 ] - [ 0.0023577900000000, 0.0004675400000000, 0.0002995600000000 ] - [ 0.0013355300000000, -0.0000462100000000, -0.0001004700000000 ] - [ 0.0009016900000000, 0.0000748900000000, 0.0000814500000000 ] - [ -0.0035512600000000, -0.0005553100000000, -0.0004540000000000 ] - [ 0.0022944300000000, 0.0000701400000000, -0.0007263500000000 ] - [ -0.0020270700000000, -0.0008856800000000, -0.0025103400000000 ] - [ 0.0034221700000000, 0.0014120900000000, 0.0004972200000000 ] - [ -0.0009293400000000, 0.0008330300000000, -0.0010638900000000 ] - [ 0.0006256400000000, 0.0003336300000000, -0.0001134900000000 ] - [ 0.0010437100000000, -0.0001742000000000, -0.0005854200000000 ] - [ -0.0001909000000000, 0.0000636600000000, 0.0004650300000000 ] - [ 0.0017471000000000, -0.0001546600000000, 0.0004109400000000 ] - [ 0.0001088600000000, -0.0001627600000000, 0.0005424000000000 ] - [ 0.0013390000000000, -0.0008166900000000, 0.0008699700000000 ] - [ -0.0001112300000000, 0.0002782400000000, 0.0011678500000000 ] - [ 0.0014337700000000, -0.0002375600000000, -0.0021220500000000 ] - [ 0.0006781700000000, -0.0002897300000000, 0.0008110000000000 ] - [ -0.0030945400000000, -0.0050342600000000, -0.0021565500000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0121257700000000, -0.0413716700000000, -0.0008895100000000 ] - [ -0.0004247800000000, 0.0006027900000000, -0.0001463800000000 ] - [ 0.0008900500000000, 0.0017549200000000, -0.0014487400000000 ] - [ 0.0003996700000000, -0.0006559400000000, -0.0001921400000000 ] - [ -0.0002676100000000, -0.0005929600000000, 0.0001213700000000 ] - [ 0.0007369100000000, 0.0001297400000000, 0.0046790800000000 ] - [ -0.0002535500000000, 0.0008763900000000, 0.0005131700000000 ] - [ 0.0006539700000000, 0.0016840100000000, -0.0002402600000000 ] - [ -0.0002729000000000, -0.0000681200000000, 0.0000609300000000 ] - [ -0.0005457900000000, 0.0000024900000000, 0.0006727000000000 ] - [ 0.0001802600000000, 0.0002839600000000, 0.0000948800000000 ] - [ 0.0002443700000000, 0.0000046800000000, 0.0000876600000000 ] - [ -0.0023572100000000, 0.0023661300000000, -0.0031532500000000 ] - [ 0.0000576700000000, -0.0002580400000000, -0.0001705400000000 ] - [ -0.0003902600000000, 0.0001884000000000, 0.0001046700000000 ] - [ 0.0005972200000000, -0.0014647100000000, -0.0002395000000000 ] - [ -0.0004062900000000, 0.0003908800000000, 0.0003008900000000 ] - [ 0.0005852900000000, 0.0015864500000000, 0.0005201300000000 ] - [ -0.0000236900000000, -0.0001041900000000, -0.0000757100000000 ] - [ 0.0006138900000000, 0.0003563200000000, -0.0005467800000000 ] - [ -0.0037757000000000, -0.0005543000000000, -0.0002833800000000 ] - [ -0.0002361300000000, -0.0015974100000000, 0.0004666400000000 ] - [ -0.0001210900000000, -0.0005239100000000, 0.0003941100000000 ] - [ -0.0016235200000000, 0.0116232800000000, -0.0006610200000000 ] - [ 0.0001048200000000, -0.0000705500000000, 0.0000028300000000 ] - [ 0.0006316900000000, -0.0005372600000000, 0.0000551000000000 ] - [ 0.0000231500000000, 0.0000527600000000, 0.0009646000000000 ] - [ -0.0000429600000000, -0.0004274100000000, 0.0000248200000000 ] - [ -0.0002681100000000, 0.0005483800000000, -0.0000231600000000 ] - [ 0.0054544000000000, 0.0022323100000000, 0.0045582100000000 ] - [ -0.0007636600000000, 0.0013680400000000, -0.0002021300000000 ] - [ 0.0001471000000000, 0.0006592400000000, 0.0000703300000000 ] - [ 0.0053351100000000, 0.0052668200000000, -0.0048086600000000 ] - [ -0.0002363100000000, -0.0006086600000000, -0.0000548700000000 ] - [ 0.0000324600000000, -0.0006043700000000, -0.0000869600000000 ] - [ 0.0005212200000000, -0.0000701800000000, -0.0002662000000000 ] - [ 0.0000633800000000, -0.0035577400000000, -0.0075644000000000 ] - [ -0.0017255600000000, 0.0030823100000000, 0.0031607700000000 ] - [ -0.0002784300000000, -0.0006953300000000, -0.0000520700000000 ] - [ -0.0001129400000000, 0.0004505500000000, 0.0001392900000000 ] - [ 0.0000598900000000, -0.0004603900000000, -0.0001742800000000 ] - [ 0.0045231000000000, 0.0048878500000000, 0.0017024400000000 ] - [ -0.0001782400000000, 0.0008741200000000, 0.0002940100000000 ] - [ -0.0002273400000000, -0.0011889000000000, -0.0002514200000000 ] - [ -0.0058747200000000, 0.0096547400000000, 0.0080702900000000 ] - [ 0.0004282100000000, 0.0016050200000000, -0.0016837100000000 ] - [ 0.0000169700000000, -0.0005993100000000, 0.0001590100000000 ] - [ 0.0015496100000000, 0.0010096700000000, -0.0013964500000000 ] - [ -0.0036323800000000, 0.0018033000000000, 0.0009487800000000 ] - [ -0.0005473100000000, 0.0000795400000000, 0.0002838400000000 ] - [ -0.0002800800000000, 0.0003312600000000, 0.0013854200000000 ] - [ 0.0001444600000000, -0.0003238800000000, -0.0000775000000000 ] - [ 0.0003848500000000, -0.0068846800000000, -0.0019887800000000 ] - [ 0.0003374600000000, 0.0004001500000000, 0.0001041800000000 ] - [ 0.0064239300000000, 0.0112321900000000, 0.0013606900000000 ] - [ 0.0004060100000000, 0.0001841000000000, -0.0000888800000000 ] - [ -0.0004561100000000, 0.0053142300000000, -0.0004073200000000 ] - [ 0.0018669300000000, -0.0005924000000000, 0.0043574200000000 ] - [ -0.0005063900000000, -0.0002481500000000, 0.0001845700000000 ] - [ 0.0043022400000000, -0.0028294200000000, -0.0030792500000000 ] - [ 0.0006291600000000, -0.0000618900000000, -0.0017139000000000 ] - [ -0.0001790400000000, -0.0036008900000000, -0.0002015500000000 ] - [ -0.0003687500000000, 0.0006056600000000, 0.0002067200000000 ] - [ -0.0011592300000000, -0.0022911100000000, -0.0021455000000000 ] - [ -0.0003235800000000, -0.0001866300000000, -0.0000284100000000 ] - [ 0.0009831900000000, -0.0000616900000000, -0.0000752800000000 ] - [ -0.0029101500000000, -0.0017284500000000, 0.0009251900000000 ] - [ 0.0003381900000000, -0.0000939000000000, -0.0005706200000000 ] - [ 0.0004234800000000, -0.0000500800000000, 0.0000417200000000 ] - [ 0.0001758900000000, 0.0031359500000000, 0.0012313400000000 ] - [ 0.0004050500000000, 0.0003029900000000, -0.0004181900000000 ] - [ 0.0008456200000000, -0.0015496600000000, -0.0032347600000000 ] - [ -0.0009583200000000, -0.0004297300000000, 0.0003066500000000 ] - [ 0.0005633200000000, -0.0004371700000000, 0.0003820800000000 ] - [ 0.0000330500000000, 0.0001423900000000, 0.0000307800000000 ] - [ 0.0003531000000000, -0.0001888500000000, -0.0003435100000000 ] - [ -0.0003975400000000, 0.0001986800000000, 0.0003565300000000 ] - [ 0.0006095700000000, 0.0000849300000000, 0.0004979500000000 ] - [ 0.0000398600000000, 0.0000222800000000, -0.0000434700000000 ] - [ -0.0001982500000000, 0.0001570200000000, -0.0001130300000000 ] - [ -0.0006953700000000, -0.0006078100000000, -0.0007092200000000 ] - [ -0.0006820400000000, 0.0001327900000000, 0.0008497300000000 ] - [ -0.0002748100000000, 0.0000278300000000, 0.0001301400000000 ] - [ 0.0029861600000000, 0.0004802200000000, -0.0009509500000000 ]- atom: 1 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0119565800000000, 0.0410730300000000, 0.0011330500000000 ] - [ 0.0003815800000000, 0.0001563800000000, 0.0003891800000000 ] - [ -0.0008594800000000, -0.0009927200000000, 0.0012131500000000 ] - [ 0.0003385000000000, -0.0000138400000000, -0.0000429400000000 ] - [ 0.0002269400000000, -0.0001645300000000, 0.0001201400000000 ] - [ -0.0007031500000000, -0.0008683500000000, -0.0049412100000000 ] - [ -0.0004808600000000, -0.0002070400000000, -0.0002770400000000 ] - [ 0.0000915400000000, -0.0010138700000000, 0.0000076200000000 ] - [ -0.0004630100000000, -0.0006034600000000, 0.0001736800000000 ] - [ 0.0005028800000000, 0.0007531900000000, -0.0004305800000000 ] - [ -0.0001324800000000, 0.0004723800000000, -0.0003399100000000 ] - [ 0.0004909200000000, -0.0006763900000000, -0.0003240800000000 ] - [ 0.0022902600000000, -0.0031197400000000, 0.0033615300000000 ] - [ -0.0000136500000000, -0.0005010400000000, -0.0000713300000000 ] - [ -0.0003483200000000, 0.0004832600000000, 0.0001292600000000 ] - [ 0.0001526900000000, 0.0021360900000000, 0.0000020900000000 ] - [ -0.0003209100000000, 0.0002937400000000, 0.0002365900000000 ] - [ -0.0005818900000000, -0.0020199300000000, -0.0005106900000000 ] - [ -0.0004943300000000, 0.0009428700000000, -0.0000302200000000 ] - [ 0.0001225200000000, 0.0003310400000000, 0.0000045600000000 ] - [ 0.0042873600000000, 0.0014224400000000, 0.0003822800000000 ] - [ 0.0002227500000000, 0.0020426400000000, -0.0004547300000000 ] - [ -0.0006089800000000, -0.0001612000000000, 0.0001519100000000 ] - [ 0.0011339100000000, -0.0126280400000000, 0.0005716300000000 ] - [ 0.0004149200000000, -0.0007645600000000, 0.0001010000000000 ] - [ 0.0000938100000000, -0.0001488900000000, -0.0005930300000000 ] - [ -0.0007563000000000, 0.0006413400000000, -0.0004282300000000 ] - [ 0.0000430800000000, -0.0000080500000000, -0.0000254800000000 ] - [ -0.0002526400000000, 0.0002806200000000, -0.0000839800000000 ] - [ -0.0046698800000000, -0.0015593000000000, -0.0050425300000000 ] - [ 0.0012834800000000, -0.0005381300000000, 0.0003106800000000 ] - [ -0.0001478800000000, -0.0002251900000000, -0.0000705400000000 ] - [ -0.0060008200000000, -0.0059237200000000, 0.0052750700000000 ] - [ -0.0002880500000000, -0.0002297900000000, -0.0000468900000000 ] - [ 0.0004904900000000, -0.0002302400000000, 0.0001888700000000 ] - [ 0.0002062300000000, -0.0006232300000000, -0.0002747200000000 ] - [ -0.0000622200000000, 0.0044177200000000, 0.0075822800000000 ] - [ 0.0017331600000000, -0.0038933400000000, -0.0031701300000000 ] - [ 0.0002677800000000, -0.0000182800000000, 0.0003628900000000 ] - [ 0.0000994500000000, 0.0002656100000000, 0.0001717400000000 ] - [ -0.0000480800000000, -0.0002536200000000, -0.0001379000000000 ] - [ -0.0045198700000000, -0.0041913400000000, -0.0019794600000000 ] - [ 0.0001781300000000, -0.0000744300000000, -0.0002937900000000 ] - [ 0.0002276500000000, 0.0003864500000000, 0.0002517000000000 ] - [ 0.0057244200000000, -0.0102191700000000, -0.0076672800000000 ] - [ -0.0004413600000000, -0.0008968100000000, 0.0020097900000000 ] - [ -0.0000040600000000, -0.0001202400000000, -0.0004671700000000 ] - [ -0.0015462600000000, -0.0002925900000000, 0.0010943800000000 ] - [ 0.0029468200000000, -0.0017428900000000, -0.0000900000000000 ] - [ 0.0012586200000000, -0.0000431200000000, -0.0011593900000000 ] - [ 0.0008966100000000, -0.0003949700000000, -0.0010851900000000 ] - [ 0.0002968200000000, -0.0000006000000000, 0.0000162100000000 ] - [ 0.0003247200000000, 0.0069609200000000, 0.0011276200000000 ] - [ 0.0001044900000000, -0.0000750300000000, -0.0001654600000000 ] - [ -0.0073538800000000, -0.0115322700000000, -0.0010010300000000 ] - [ -0.0000069800000000, 0.0001292200000000, -0.0003564200000000 ] - [ 0.0004620400000000, -0.0043148600000000, 0.0004231400000000 ] - [ -0.0024805700000000, 0.0004754300000000, -0.0046557300000000 ] - [ -0.0001985100000000, 0.0002162000000000, 0.0006780800000000 ] - [ -0.0036875400000000, 0.0028440900000000, 0.0033756900000000 ] - [ -0.0012528400000000, 0.0001129600000000, 0.0014211800000000 ] - [ 0.0001753100000000, 0.0025979300000000, 0.0002065100000000 ] - [ -0.0000741800000000, -0.0002820200000000, -0.0001443900000000 ] - [ 0.0007209700000000, 0.0019675700000000, 0.0022031300000000 ] - [ -0.0000746300000000, -0.0001297600000000, 0.0004746700000000 ] - [ -0.0005880900000000, -0.0002545100000000, -0.0003721800000000 ] - [ 0.0021941800000000, 0.0017648700000000, -0.0000654300000000 ] - [ 0.0003668100000000, 0.0001284800000000, -0.0002939100000000 ] - [ 0.0001956400000000, -0.0000031300000000, 0.0002601100000000 ] - [ 0.0002716300000000, -0.0034377300000000, -0.0013279200000000 ] - [ 0.0002963800000000, -0.0003360200000000, -0.0004460000000000 ] - [ -0.0003880000000000, 0.0018693500000000, 0.0031603100000000 ] - [ 0.0005685100000000, 0.0007468300000000, 0.0001391100000000 ] - [ -0.0001700300000000, 0.0007578100000000, -0.0008349500000000 ] - [ -0.0000319600000000, 0.0008628900000000, -0.0000320300000000 ] - [ -0.0009725800000000, 0.0001344300000000, 0.0000409100000000 ] - [ -0.0003073100000000, -0.0002334100000000, 0.0005094000000000 ] - [ 0.0000099100000000, -0.0000319200000000, -0.0001940900000000 ] - [ -0.0006565100000000, 0.0000329300000000, -0.0002605100000000 ] - [ 0.0001987900000000, -0.0011634200000000, 0.0001101000000000 ] - [ 0.0002513000000000, 0.0009332300000000, 0.0007635600000000 ] - [ 0.0002428200000000, -0.0004587100000000, -0.0007918900000000 ] - [ -0.0001254600000000, -0.0003389500000000, 0.0003128100000000 ] - [ -0.0026298800000000, -0.0006795700000000, 0.0005327900000000 ]- atom: 1 displacement: [ -0.0029959570305193, 0.0000000000000000, 0.0095406625279003 ] forces: - [ 0.0044613200000000, 0.0021947900000000, -0.0238906900000000 ] - [ 0.0007584200000000, 0.0001802300000000, 0.0002165700000000 ] - [ -0.0015591500000000, -0.0011481300000000, 0.0009690400000000 ] - [ 0.0001796100000000, -0.0002546600000000, 0.0012885600000000 ] - [ -0.0006323300000000, -0.0003122000000000, 0.0002207900000000 ] - [ 0.0023145200000000, 0.0041626300000000, 0.0047666800000000 ] - [ -0.0009011400000000, -0.0000077500000000, 0.0012924000000000 ] - [ 0.0005825200000000, 0.0001321900000000, -0.0012595600000000 ] - [ -0.0006425500000000, -0.0004181900000000, 0.0000713000000000 ] - [ -0.0011011500000000, 0.0008264200000000, 0.0015673600000000 ] - [ 0.0003315000000000, 0.0004237100000000, -0.0005802100000000 ] - [ 0.0008016500000000, -0.0005689900000000, 0.0000447800000000 ] - [ 0.0023019700000000, -0.0029996500000000, -0.0000352800000000 ] - [ -0.0002284300000000, -0.0004529500000000, 0.0001732300000000 ] - [ -0.0000625100000000, 0.0003414000000000, 0.0002371400000000 ] - [ -0.0020658900000000, 0.0001532100000000, -0.0010854000000000 ] - [ -0.0002312000000000, 0.0003770700000000, 0.0003538400000000 ] - [ 0.0001855800000000, -0.0008156300000000, 0.0002275200000000 ] - [ -0.0010433700000000, 0.0007987100000000, 0.0016879800000000 ] - [ 0.0000741500000000, 0.0002938400000000, -0.0001976000000000 ] - [ -0.0008421800000000, 0.0014013200000000, -0.0031793300000000 ] - [ -0.0041252300000000, 0.0007109100000000, 0.0027913000000000 ] - [ -0.0005230100000000, -0.0002622100000000, 0.0001377500000000 ] - [ 0.0007644800000000, 0.0000476600000000, -0.0033086600000000 ] - [ 0.0001573600000000, -0.0005813800000000, 0.0011505000000000 ] - [ 0.0007313800000000, -0.0001254600000000, -0.0002519400000000 ] - [ -0.0010471300000000, 0.0013400500000000, 0.0024991000000000 ] - [ -0.0001136600000000, -0.0001807000000000, 0.0001579200000000 ] - [ 0.0000078800000000, 0.0003887600000000, 0.0000512200000000 ] - [ 0.0044163600000000, 0.0033093100000000, -0.0010355800000000 ] - [ -0.0005099600000000, 0.0005994900000000, -0.0000903900000000 ] - [ 0.0000320000000000, 0.0001351300000000, -0.0001794200000000 ] - [ -0.0033779500000000, -0.0064989600000000, 0.0001885800000000 ] - [ -0.0006057500000000, -0.0003552400000000, -0.0001638400000000 ] - [ 0.0010288800000000, -0.0003573100000000, 0.0005496400000000 ] - [ -0.0005689800000000, -0.0005790900000000, 0.0004760500000000 ] - [ 0.0030156600000000, -0.0077369800000000, 0.0075157900000000 ] - [ -0.0017282900000000, 0.0004816400000000, 0.0030911200000000 ] - [ -0.0003578300000000, -0.0005443900000000, -0.0001604500000000 ] - [ 0.0003943300000000, 0.0001304300000000, 0.0004710700000000 ] - [ 0.0001826900000000, -0.0008136700000000, 0.0016632300000000 ] - [ -0.0007293100000000, -0.0001527000000000, -0.0015064200000000 ] - [ -0.0001800600000000, 0.0004604900000000, 0.0004647900000000 ] - [ 0.0003837100000000, -0.0004394300000000, -0.0006275600000000 ] - [ 0.0003681600000000, 0.0071936100000000, 0.0004642400000000 ] - [ -0.0016661400000000, -0.0019114200000000, 0.0080192200000000 ] - [ 0.0002632300000000, -0.0000369400000000, 0.0008433200000000 ] - [ -0.0018049300000000, -0.0001404200000000, 0.0003605600000000 ] - [ 0.0017525900000000, 0.0008575700000000, 0.0030136700000000 ] - [ 0.0033336300000000, -0.0000404900000000, -0.0047229600000000 ] - [ 0.0009282000000000, 0.0020028600000000, -0.0023929100000000 ] - [ 0.0003048900000000, -0.0000379200000000, -0.0002918200000000 ] - [ -0.0017645600000000, -0.0007927300000000, 0.0033082900000000 ] - [ 0.0000466200000000, 0.0002320100000000, 0.0002336700000000 ] - [ -0.0017551400000000, -0.0012219900000000, 0.0034235800000000 ] - [ -0.0001762600000000, 0.0003423300000000, -0.0009191600000000 ] - [ -0.0024315100000000, 0.0014060900000000, -0.0019720900000000 ] - [ -0.0029766800000000, 0.0028709500000000, 0.0014311200000000 ] - [ -0.0000499600000000, -0.0001637200000000, -0.0007668000000000 ] - [ 0.0030618000000000, -0.0036706100000000, 0.0001155600000000 ] - [ 0.0010712200000000, 0.0001889800000000, -0.0024999800000000 ] - [ 0.0009532700000000, -0.0010403200000000, -0.0008335000000000 ] - [ 0.0006259600000000, 0.0006471600000000, -0.0014447700000000 ] - [ -0.0004467300000000, 0.0001767300000000, 0.0017377600000000 ] - [ -0.0003335900000000, -0.0001546300000000, -0.0012889200000000 ] - [ 0.0005041700000000, -0.0001523900000000, 0.0005367700000000 ] - [ -0.0000074600000000, -0.0000010400000000, 0.0008321000000000 ] - [ 0.0000635700000000, 0.0000178900000000, -0.0005083500000000 ] - [ 0.0000863600000000, 0.0000615000000000, -0.0002316400000000 ] - [ 0.0005638800000000, 0.0008200000000000, -0.0007206500000000 ] - [ 0.0006619000000000, -0.0000660500000000, -0.0003162200000000 ] - [ 0.0004112300000000, -0.0006404000000000, -0.0006146800000000 ] - [ 0.0010757300000000, 0.0007353600000000, 0.0005491100000000 ] - [ -0.0012333900000000, 0.0018978700000000, -0.0035084900000000 ] - [ 0.0000677100000000, 0.0004790400000000, -0.0002047700000000 ] - [ 0.0003012300000000, -0.0001364100000000, -0.0003845000000000 ] - [ -0.0004736100000000, -0.0003063900000000, -0.0004981300000000 ] - [ 0.0006281100000000, 0.0001746400000000, 0.0006604600000000 ] - [ -0.0010768000000000, 0.0000876000000000, -0.0000322400000000 ] - [ -0.0003015200000000, -0.0005846400000000, 0.0002372900000000 ] - [ -0.0009017100000000, 0.0001413900000000, -0.0003289200000000 ] - [ 0.0008598800000000, -0.0000501400000000, -0.0003310600000000 ] - [ -0.0006828100000000, -0.0002396100000000, -0.0003341600000000 ] - [ 0.0002205300000000, -0.0022290500000000, 0.0026070900000000 ]- atom: 1 displacement: [ 0.0029959570305193, 0.0000000000000000, -0.0095406625279003 ] forces: - [ -0.0054007900000000, -0.0030922500000000, 0.0244209000000000 ] - [ -0.0008023400000000, 0.0005785600000000, 0.0000245900000000 ] - [ 0.0015914900000000, 0.0018873800000000, -0.0012124500000000 ] - [ 0.0005622300000000, -0.0004158000000000, -0.0015215500000000 ] - [ 0.0005921300000000, -0.0004477500000000, 0.0000217000000000 ] - [ -0.0023051300000000, -0.0049733600000000, -0.0050437900000000 ] - [ 0.0001720900000000, 0.0006781200000000, -0.0010562900000000 ] - [ 0.0001483300000000, 0.0005379400000000, 0.0010260000000000 ] - [ -0.0000910600000000, -0.0002536400000000, 0.0001643900000000 ] - [ 0.0010490600000000, -0.0000603100000000, -0.0013250900000000 ] - [ -0.0002857900000000, 0.0003343300000000, 0.0003357700000000 ] - [ -0.0000734200000000, -0.0001023900000000, -0.0002799000000000 ] - [ -0.0023564400000000, 0.0022459100000000, 0.0002955500000000 ] - [ 0.0002722700000000, -0.0003065000000000, -0.0004144600000000 ] - [ -0.0006776100000000, 0.0003305600000000, -0.0000025200000000 ] - [ 0.0027995100000000, 0.0005176000000000, 0.0008323000000000 ] - [ -0.0004985000000000, 0.0003037700000000, 0.0001843900000000 ] - [ -0.0001840400000000, 0.0003765800000000, -0.0002344200000000 ] - [ 0.0005196700000000, 0.0000358500000000, -0.0017891900000000 ] - [ 0.0006628500000000, 0.0003904300000000, -0.0003440000000000 ] - [ 0.0013373300000000, -0.0005495600000000, 0.0032911800000000 ] - [ 0.0041778300000000, -0.0002812800000000, -0.0028224900000000 ] - [ -0.0002050900000000, -0.0004189600000000, 0.0004037400000000 ] - [ -0.0012999000000000, -0.0008400500000000, 0.0032117000000000 ] - [ 0.0003719400000000, -0.0002577600000000, -0.0010489800000000 ] - [ -0.0000061800000000, -0.0005571900000000, -0.0002856200000000 ] - [ 0.0003234700000000, -0.0006368200000000, -0.0019543800000000 ] - [ 0.0001111600000000, -0.0002521100000000, -0.0001605700000000 ] - [ -0.0005268100000000, 0.0004409400000000, -0.0001545800000000 ] - [ -0.0036825000000000, -0.0026321100000000, 0.0004601900000000 ] - [ 0.0010296000000000, 0.0002264300000000, 0.0001984600000000 ] - [ -0.0000302600000000, 0.0002989500000000, 0.0001810000000000 ] - [ 0.0026526100000000, 0.0058579000000000, 0.0003772400000000 ] - [ 0.0000867000000000, -0.0004802500000000, 0.0000606100000000 ] - [ -0.0005127300000000, -0.0004753200000000, -0.0004501800000000 ] - [ 0.0013022000000000, -0.0001123100000000, -0.0010150400000000 ] - [ -0.0029198900000000, 0.0084683400000000, -0.0074394500000000 ] - [ 0.0017314200000000, -0.0012870400000000, -0.0030907700000000 ] - [ 0.0003447300000000, -0.0001706600000000, 0.0004688800000000 ] - [ -0.0004069600000000, 0.0005840500000000, -0.0001580600000000 ] - [ -0.0001736900000000, 0.0000991100000000, -0.0019727900000000 ] - [ 0.0007667200000000, 0.0008855200000000, 0.0012167000000000 ] - [ 0.0001807100000000, 0.0003371600000000, -0.0004670500000000 ] - [ -0.0003844700000000, -0.0003614200000000, 0.0006317900000000 ] - [ -0.0003830100000000, -0.0078693700000000, -0.0002183800000000 ] - [ 0.0016618800000000, 0.0026350400000000, -0.0077333800000000 ] - [ -0.0002458900000000, -0.0006782300000000, -0.0011576700000000 ] - [ 0.0018117500000000, 0.0008562500000000, -0.0006574100000000 ] - [ -0.0024303300000000, -0.0008210000000000, -0.0021771100000000 ] - [ -0.0026319100000000, 0.0000717800000000, 0.0038565100000000 ] - [ -0.0003290600000000, -0.0020503100000000, 0.0026935300000000 ] - [ 0.0001344500000000, -0.0002859100000000, 0.0002269200000000 ] - [ 0.0024612400000000, 0.0007754500000000, -0.0041607200000000 ] - [ 0.0003959900000000, 0.0000932800000000, -0.0002947100000000 ] - [ 0.0013866400000000, 0.0015708400000000, -0.0029895300000000 ] - [ 0.0005713300000000, -0.0000279000000000, 0.0004725000000000 ] - [ 0.0024612800000000, -0.0003969500000000, 0.0021621800000000 ] - [ 0.0023546400000000, -0.0029200300000000, -0.0016871900000000 ] - [ -0.0006593200000000, 0.0001307500000000, 0.0016335100000000 ] - [ -0.0024258000000000, 0.0037193700000000, 0.0001411700000000 ] - [ -0.0016915700000000, -0.0001318600000000, 0.0021956300000000 ] - [ -0.0009529200000000, 0.0000356500000000, 0.0008289900000000 ] - [ -0.0010607200000000, -0.0003201500000000, 0.0015096700000000 ] - [ 0.0000019600000000, -0.0005053600000000, -0.0016954000000000 ] - [ -0.0000610500000000, -0.0001579700000000, 0.0017384300000000 ] - [ -0.0001067400000000, -0.0001626400000000, -0.0009837900000000 ] - [ -0.0007122100000000, 0.0000299600000000, 0.0000349900000000 ] - [ 0.0006396100000000, 0.0000158600000000, -0.0003571900000000 ] - [ 0.0005327200000000, -0.0001149000000000, 0.0005342000000000 ] - [ -0.0000456500000000, -0.0010078500000000, 0.0002045500000000 ] - [ 0.0000382000000000, 0.0000354300000000, -0.0005463100000000 ] - [ 0.0000331500000000, 0.0009556500000000, 0.0005767000000000 ] - [ -0.0014662900000000, -0.0004203200000000, -0.0001036800000000 ] - [ 0.0016358000000000, -0.0015903300000000, 0.0030713200000000 ] - [ -0.0000659800000000, 0.0005234900000000, 0.0002055500000000 ] - [ -0.0009232900000000, 0.0000816000000000, 0.0000866400000000 ] - [ -0.0002245600000000, 0.0002741700000000, 0.0013637700000000 ] - [ -0.0000132600000000, -0.0001239400000000, -0.0003603300000000 ] - [ 0.0004625100000000, -0.0000346200000000, -0.0002723700000000 ] - [ 0.0003018000000000, -0.0004168700000000, -0.0002432300000000 ] - [ 0.0004613500000000, 0.0001809900000000, 0.0003965300000000 ] - [ -0.0013044800000000, -0.0002760500000000, 0.0003855400000000 ] - [ 0.0002841700000000, -0.0000741700000000, 0.0007801700000000 ] - [ 0.0001411200000000, 0.0019506100000000, -0.0030240200000000 ]- atom: 2 displacement: [ 0.0099999877275060, 0.0000000000000000, -0.0000156668353337 ] forces: - [ 0.0001948100000000, -0.0007402900000000, 0.0011123700000000 ] - [ -0.0386514500000000, -0.0121679100000000, 0.0007678900000000 ] - [ 0.0016352400000000, 0.0005162900000000, 0.0001587900000000 ] - [ 0.0002321700000000, -0.0012101500000000, -0.0018091800000000 ] - [ -0.0005153700000000, -0.0002758600000000, -0.0009041700000000 ] - [ 0.0005621300000000, -0.0003674900000000, 0.0002965700000000 ] - [ 0.0005187900000000, 0.0005817800000000, -0.0002441200000000 ] - [ -0.0023732600000000, 0.0010562900000000, 0.0014477500000000 ] - [ 0.0000991700000000, -0.0008596400000000, -0.0008702500000000 ] - [ 0.0010755400000000, 0.0003406800000000, 0.0001935700000000 ] - [ -0.0017054600000000, 0.0006339100000000, -0.0002833800000000 ] - [ 0.0013040600000000, -0.0004927800000000, 0.0005032100000000 ] - [ 0.0004976300000000, -0.0004121800000000, 0.0005354700000000 ] - [ -0.0005072300000000, -0.0004982900000000, -0.0006948300000000 ] - [ -0.0009164100000000, 0.0026572600000000, 0.0023904100000000 ] - [ 0.0012517100000000, 0.0003722700000000, -0.0001035800000000 ] - [ 0.0090807600000000, 0.0016321600000000, 0.0035479300000000 ] - [ 0.0053867700000000, 0.0037443400000000, 0.0008800900000000 ] - [ 0.0008331800000000, 0.0001697600000000, -0.0008698400000000 ] - [ 0.0015322000000000, 0.0004814500000000, -0.0005794000000000 ] - [ -0.0023416400000000, -0.0004633500000000, 0.0024569700000000 ] - [ -0.0001677100000000, 0.0000243800000000, -0.0001047500000000 ] - [ -0.0000123800000000, -0.0004568600000000, -0.0000283500000000 ] - [ 0.0007851100000000, 0.0000414900000000, 0.0014436900000000 ] - [ 0.0018541300000000, 0.0000929800000000, -0.0040076400000000 ] - [ 0.0010108000000000, -0.0000874700000000, 0.0004722100000000 ] - [ 0.0003040900000000, 0.0000068100000000, -0.0001504400000000 ] - [ 0.0011797000000000, 0.0001268300000000, 0.0000670500000000 ] - [ -0.0006939500000000, -0.0011434900000000, 0.0009925700000000 ] - [ -0.0000152800000000, 0.0001887700000000, 0.0005451200000000 ] - [ 0.0010446400000000, 0.0003501800000000, -0.0000868200000000 ] - [ 0.0001890300000000, -0.0000450600000000, 0.0006491500000000 ] - [ -0.0005183100000000, -0.0001969300000000, 0.0005531000000000 ] - [ -0.0002208700000000, 0.0000371300000000, -0.0006149700000000 ] - [ 0.0008549900000000, -0.0003271300000000, 0.0005291800000000 ] - [ 0.0004220200000000, -0.0001739000000000, -0.0008464600000000 ] - [ 0.0082616000000000, -0.0059145900000000, -0.0002393500000000 ] - [ -0.0002284200000000, 0.0001918500000000, -0.0000685600000000 ] - [ 0.0048436800000000, 0.0015778900000000, -0.0089435900000000 ] - [ -0.0074354300000000, 0.0028784000000000, 0.0021912000000000 ] - [ 0.0022665500000000, -0.0010267100000000, 0.0000028500000000 ] - [ 0.0017481300000000, 0.0012799500000000, 0.0005789400000000 ] - [ 0.0005595900000000, -0.0021445000000000, -0.0007687700000000 ] - [ -0.0001175200000000, -0.0003287700000000, 0.0001072300000000 ] - [ 0.0015461500000000, 0.0001308500000000, 0.0009585000000000 ] - [ 0.0014847600000000, -0.0001767000000000, 0.0002804100000000 ] - [ -0.0023168400000000, 0.0031303800000000, -0.0032971800000000 ] - [ -0.0022693400000000, -0.0002198000000000, -0.0007741100000000 ] - [ 0.0014310000000000, 0.0002053200000000, -0.0002831800000000 ] - [ -0.0008325600000000, 0.0003130000000000, 0.0002445800000000 ] - [ -0.0040420800000000, 0.0007646700000000, 0.0017140600000000 ] - [ 0.0019043600000000, -0.0005428300000000, -0.0000952000000000 ] - [ -0.0005748100000000, -0.0006511900000000, -0.0011711300000000 ] - [ 0.0075779600000000, 0.0033577300000000, 0.0010991700000000 ] - [ -0.0021090200000000, -0.0003566400000000, -0.0009184000000000 ] - [ 0.0066066000000000, -0.0009385100000000, -0.0005338000000000 ] - [ -0.0010976000000000, 0.0038044200000000, 0.0002180300000000 ] - [ 0.0032220600000000, 0.0002307500000000, 0.0005997000000000 ] - [ -0.0000478200000000, -0.0014441000000000, 0.0016376200000000 ] - [ 0.0006198300000000, -0.0000738400000000, -0.0008947400000000 ] - [ -0.0001540600000000, 0.0000277000000000, 0.0007806800000000 ] - [ 0.0001428800000000, -0.0009548500000000, 0.0001222100000000 ] - [ -0.0016871700000000, 0.0001253600000000, -0.0001657200000000 ] - [ -0.0011303100000000, -0.0003158200000000, -0.0009399900000000 ] - [ -0.0022360400000000, 0.0002833000000000, -0.0000742600000000 ] - [ 0.0039945200000000, -0.0000888100000000, 0.0029569200000000 ] - [ -0.0017972800000000, -0.0000996200000000, 0.0007025000000000 ] - [ 0.0023557200000000, 0.0001131000000000, -0.0061245700000000 ] - [ -0.0001480500000000, 0.0005525800000000, -0.0003839900000000 ] - [ -0.0002601800000000, -0.0000675900000000, -0.0003324900000000 ] - [ -0.0015965800000000, -0.0000394800000000, 0.0016167900000000 ] - [ -0.0010354200000000, -0.0002852800000000, -0.0005124900000000 ] - [ 0.0014208400000000, 0.0007038700000000, 0.0012438900000000 ] - [ -0.0011507900000000, 0.0004544100000000, -0.0007196300000000 ] - [ -0.0030726100000000, 0.0023029900000000, 0.0002391000000000 ] - [ -0.0012893100000000, 0.0007879500000000, 0.0007276600000000 ] - [ -0.0025082000000000, -0.0002031700000000, -0.0000139400000000 ] - [ 0.0002407100000000, -0.0001130500000000, 0.0002595100000000 ] - [ -0.0005495700000000, 0.0002127500000000, -0.0006267000000000 ] - [ -0.0001560400000000, -0.0006188500000000, -0.0002517100000000 ] - [ 0.0044293200000000, 0.0015128400000000, 0.0008031300000000 ] - [ 0.0005417900000000, -0.0001636100000000, 0.0009017400000000 ] - [ 0.0028096700000000, -0.0008554400000000, 0.0016858400000000 ] - [ -0.0013740400000000, -0.0004542800000000, -0.0008836800000000 ]- atom: 2 displacement: [ -0.0099999877275060, 0.0000000000000000, 0.0000156668353337 ] forces: - [ -0.0009186000000000, 0.0000667400000000, -0.0008748200000000 ] - [ 0.0385821300000000, 0.0124947200000000, -0.0001436700000000 ] - [ -0.0015937600000000, 0.0002420300000000, -0.0004063300000000 ] - [ 0.0005085000000000, 0.0005444100000000, 0.0015805900000000 ] - [ 0.0004740900000000, -0.0004831400000000, 0.0011451600000000 ] - [ -0.0005171600000000, -0.0003907400000000, -0.0005379500000000 ] - [ -0.0012467600000000, 0.0000854700000000, 0.0004854500000000 ] - [ 0.0031158000000000, -0.0003716900000000, -0.0016574400000000 ] - [ -0.0008270500000000, 0.0001888500000000, 0.0010980400000000 ] - [ -0.0011202700000000, 0.0004171500000000, 0.0000490500000000 ] - [ 0.0017431200000000, 0.0001190600000000, 0.0000419400000000 ] - [ -0.0005793600000000, -0.0001790800000000, -0.0007358000000000 ] - [ -0.0005464900000000, -0.0003451600000000, -0.0002926600000000 ] - [ 0.0005527600000000, -0.0002593100000000, 0.0004504200000000 ] - [ 0.0001670700000000, -0.0019813100000000, -0.0021528900000000 ] - [ -0.0005317400000000, 0.0002978200000000, -0.0001369400000000 ] - [ -0.0096765700000000, -0.0009133000000000, -0.0029510500000000 ] - [ -0.0054599000000000, -0.0042396100000000, -0.0009004900000000 ] - [ -0.0013539400000000, 0.0006676300000000, 0.0007716100000000 ] - [ -0.0007940000000000, 0.0002122900000000, 0.0000292300000000 ] - [ 0.0028812500000000, 0.0012983600000000, -0.0023369400000000 ] - [ 0.0001697900000000, 0.0004111600000000, 0.0001073300000000 ] - [ -0.0007257900000000, -0.0002283500000000, 0.0005766900000000 ] - [ -0.0013076000000000, -0.0008685700000000, -0.0015549900000000 ] - [ -0.0013445200000000, -0.0009335800000000, 0.0041586800000000 ] - [ -0.0002807500000000, -0.0006125900000000, -0.0010144500000000 ] - [ -0.0010332600000000, 0.0006908700000000, 0.0006952100000000 ] - [ -0.0011860200000000, -0.0005614100000000, -0.0000730100000000 ] - [ 0.0001577200000000, 0.0019749700000000, -0.0010901000000000 ] - [ 0.0007746600000000, 0.0005080500000000, -0.0010610100000000 ] - [ -0.0005317500000000, 0.0004713600000000, 0.0001953100000000 ] - [ -0.0001915000000000, 0.0004802300000000, -0.0006518300000000 ] - [ -0.0002259400000000, -0.0004954800000000, -0.0000331700000000 ] - [ -0.0003009400000000, -0.0008747900000000, 0.0005087100000000 ] - [ -0.0003294600000000, -0.0005091100000000, -0.0004264600000000 ] - [ 0.0003109800000000, -0.0005211600000000, 0.0003035100000000 ] - [ -0.0083758200000000, 0.0067904300000000, 0.0001430600000000 ] - [ 0.0002282200000000, -0.0009928000000000, 0.0000707700000000 ] - [ -0.0048389000000000, -0.0022336700000000, 0.0091914500000000 ] - [ 0.0073772300000000, -0.0021450000000000, -0.0019173100000000 ] - [ -0.0022522600000000, 0.0003132100000000, -0.0003148700000000 ] - [ -0.0017354300000000, -0.0005630600000000, -0.0008893300000000 ] - [ -0.0005611700000000, 0.0029112600000000, 0.0007692100000000 ] - [ 0.0001164900000000, -0.0004712600000000, -0.0001070400000000 ] - [ -0.0015570900000000, -0.0008471900000000, -0.0006569400000000 ] - [ -0.0014992200000000, 0.0008916800000000, 0.0000346400000000 ] - [ 0.0023670600000000, -0.0038413200000000, 0.0029562600000000 ] - [ 0.0022809000000000, 0.0009345300000000, 0.0004664000000000 ] - [ -0.0021384400000000, -0.0001727300000000, 0.0011480000000000 ] - [ 0.0015397900000000, -0.0002814000000000, -0.0011180400000000 ] - [ 0.0047070500000000, -0.0008396600000000, -0.0014064400000000 ] - [ -0.0014560400000000, 0.0002084900000000, 0.0000459700000000 ] - [ 0.0012738700000000, 0.0006203900000000, 0.0003094300000000 ] - [ -0.0067801200000000, -0.0027253200000000, -0.0012664800000000 ] - [ 0.0017066000000000, 0.0006701400000000, 0.0013644500000000 ] - [ -0.0061880300000000, 0.0012463600000000, 0.0001060500000000 ] - [ 0.0010940400000000, -0.0028171400000000, -0.0002052300000000 ] - [ -0.0042098800000000, -0.0001938300000000, -0.0011051100000000 ] - [ -0.0006758100000000, 0.0014242400000000, -0.0007692000000000 ] - [ -0.0000030800000000, 0.0001279200000000, 0.0011972900000000 ] - [ -0.0004662700000000, 0.0000279400000000, -0.0010926500000000 ] - [ -0.0001430900000000, -0.0000478900000000, -0.0001268200000000 ] - [ 0.0012471000000000, 0.0001991800000000, 0.0002272700000000 ] - [ 0.0006895900000000, -0.0000106600000000, 0.0009978500000000 ] - [ 0.0018382300000000, -0.0005971100000000, 0.0005173700000000 ] - [ -0.0035626800000000, -0.0002137500000000, -0.0034151300000000 ] - [ 0.0010924200000000, 0.0001311300000000, 0.0001686300000000 ] - [ -0.0015946700000000, -0.0000764800000000, 0.0052591700000000 ] - [ 0.0007713000000000, -0.0005942100000000, 0.0006826100000000 ] - [ 0.0006972500000000, -0.0002582100000000, 0.0002683700000000 ] - [ 0.0023149700000000, 0.0000041900000000, -0.0024877700000000 ] - [ 0.0014780600000000, 0.0006147800000000, 0.0004600300000000 ] - [ -0.0018134300000000, -0.0003918100000000, -0.0007979100000000 ] - [ 0.0015461000000000, -0.0001397400000000, 0.0002710700000000 ] - [ 0.0030437800000000, -0.0012762400000000, -0.0002350200000000 ] - [ 0.0006701700000000, -0.0008311400000000, -0.0010232600000000 ] - [ 0.0017988600000000, 0.0001655100000000, 0.0008780900000000 ] - [ 0.0003779800000000, 0.0001651000000000, 0.0000466800000000 ] - [ -0.0000641700000000, -0.0001582600000000, 0.0003223700000000 ] - [ 0.0001628800000000, -0.0003839200000000, 0.0002493200000000 ] - [ -0.0048971900000000, -0.0012667900000000, -0.0007449000000000 ] - [ -0.0009850200000000, -0.0001615000000000, -0.0008442200000000 ] - [ -0.0032085300000000, 0.0005420900000000, -0.0012329100000000 ] - [ 0.0017716500000000, 0.0001407300000000, 0.0004398900000000 ]- atom: 2 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0004831800000000, -0.0001143100000000, -0.0001270600000000 ] - [ -0.0123332000000000, -0.0316206500000000, -0.0015372300000000 ] - [ -0.0001150600000000, 0.0001891700000000, -0.0001208500000000 ] - [ -0.0005859200000000, 0.0010354800000000, 0.0011830100000000 ] - [ -0.0001245100000000, -0.0003040000000000, -0.0000061900000000 ] - [ 0.0000340700000000, -0.0003771800000000, -0.0001199200000000 ] - [ -0.0001310500000000, 0.0001221700000000, 0.0001215000000000 ] - [ 0.0012433500000000, 0.0008465900000000, 0.0049340900000000 ] - [ -0.0006394100000000, -0.0007079500000000, 0.0004959100000000 ] - [ -0.0000610600000000, 0.0005356600000000, 0.0001481100000000 ] - [ -0.0002221000000000, 0.0052674000000000, -0.0000531100000000 ] - [ 0.0002161000000000, -0.0004286500000000, -0.0002117400000000 ] - [ 0.0000094800000000, -0.0003731800000000, 0.0001439600000000 ] - [ -0.0000975100000000, -0.0003937900000000, -0.0005456500000000 ] - [ 0.0018361300000000, 0.0030793000000000, 0.0035708600000000 ] - [ 0.0004822700000000, 0.0004557900000000, -0.0001575700000000 ] - [ 0.0003214500000000, -0.0023877600000000, 0.0007419000000000 ] - [ 0.0038254200000000, -0.0009542800000000, 0.0007148200000000 ] - [ -0.0003755300000000, 0.0005006400000000, 0.0001269900000000 ] - [ 0.0007097800000000, -0.0000953500000000, -0.0001688300000000 ] - [ -0.0009461200000000, 0.0004413100000000, -0.0036711800000000 ] - [ 0.0000024500000000, 0.0003108400000000, -0.0000810200000000 ] - [ -0.0001675800000000, -0.0004520000000000, 0.0000292100000000 ] - [ -0.0002305500000000, -0.0008523900000000, -0.0001903000000000 ] - [ 0.0008635300000000, -0.0019577700000000, -0.0007675800000000 ] - [ 0.0002590600000000, -0.0005615100000000, -0.0002339200000000 ] - [ 0.0001977300000000, 0.0011460200000000, 0.0005670400000000 ] - [ 0.0007488200000000, 0.0005132100000000, 0.0001334500000000 ] - [ -0.0016835900000000, 0.0015153400000000, -0.0016556200000000 ] - [ 0.0010183700000000, 0.0024061300000000, 0.0003756900000000 ] - [ 0.0002669500000000, 0.0003788400000000, 0.0001106600000000 ] - [ -0.0000066900000000, 0.0002086600000000, -0.0001866300000000 ] - [ -0.0003786600000000, -0.0001798700000000, 0.0003784400000000 ] - [ -0.0002386600000000, 0.0000679600000000, -0.0002413500000000 ] - [ 0.0002859500000000, -0.0001817000000000, 0.0000368600000000 ] - [ 0.0006832600000000, -0.0001318200000000, -0.0006846800000000 ] - [ -0.0050445800000000, 0.0002822400000000, -0.0001564400000000 ] - [ 0.0000571100000000, -0.0009776700000000, -0.0000924200000000 ] - [ 0.0028967400000000, -0.0020617100000000, -0.0066990000000000 ] - [ 0.0024104300000000, -0.0018461200000000, -0.0008438500000000 ] - [ 0.0002358700000000, -0.0005296900000000, -0.0001198700000000 ] - [ -0.0000009500000000, 0.0002443700000000, -0.0003517500000000 ] - [ -0.0006324100000000, 0.0010293000000000, 0.0004475700000000 ] - [ 0.0000386000000000, -0.0000314800000000, -0.0001460900000000 ] - [ 0.0004315600000000, -0.0000117200000000, 0.0001067000000000 ] - [ 0.0000794500000000, 0.0003590900000000, 0.0000469500000000 ] - [ 0.0022550600000000, 0.0069820300000000, -0.0081076500000000 ] - [ 0.0007825700000000, 0.0007795100000000, -0.0002990000000000 ] - [ -0.0004971300000000, -0.0013384300000000, 0.0008350600000000 ] - [ 0.0001063100000000, -0.0003082700000000, -0.0004636700000000 ] - [ 0.0008380700000000, 0.0010236700000000, -0.0004902800000000 ] - [ -0.0005206500000000, 0.0003269000000000, -0.0002133400000000 ] - [ -0.0003780800000000, -0.0001031100000000, -0.0008411400000000 ] - [ 0.0031888300000000, 0.0064066300000000, 0.0009843700000000 ] - [ -0.0000361200000000, 0.0002581500000000, 0.0004081500000000 ] - [ -0.0004811000000000, 0.0043528400000000, 0.0008371300000000 ] - [ 0.0014903600000000, -0.0008450500000000, 0.0002755600000000 ] - [ -0.0001973100000000, 0.0033546500000000, -0.0005302600000000 ] - [ -0.0024326600000000, -0.0006497800000000, 0.0031463400000000 ] - [ 0.0003525200000000, 0.0003570800000000, 0.0005315400000000 ] - [ -0.0002090300000000, 0.0002867300000000, -0.0001742300000000 ] - [ -0.0001614400000000, -0.0001827500000000, 0.0000385400000000 ] - [ -0.0004531800000000, 0.0001662100000000, -0.0000846900000000 ] - [ -0.0001633500000000, -0.0000625100000000, 0.0002248400000000 ] - [ -0.0002861000000000, 0.0000383500000000, 0.0001435300000000 ] - [ 0.0005386600000000, 0.0041257900000000, 0.0015273200000000 ] - [ -0.0004750100000000, 0.0002066700000000, 0.0004499200000000 ] - [ 0.0001941800000000, 0.0029162600000000, 0.0010946900000000 ] - [ 0.0010061800000000, -0.0010414200000000, 0.0000938800000000 ] - [ 0.0002007100000000, -0.0002585900000000, 0.0000502900000000 ] - [ -0.0009782500000000, -0.0001111100000000, 0.0015487600000000 ] - [ -0.0002490400000000, 0.0001481300000000, -0.0001783000000000 ] - [ -0.0000937200000000, -0.0007320900000000, -0.0002291000000000 ] - [ 0.0002053200000000, 0.0001175000000000, -0.0001785000000000 ] - [ 0.0010211200000000, 0.0008534900000000, -0.0001472800000000 ] - [ -0.0002685800000000, -0.0004807300000000, -0.0005015800000000 ] - [ -0.0007262300000000, 0.0000773800000000, 0.0000985100000000 ] - [ 0.0003441700000000, -0.0000833700000000, 0.0002458200000000 ] - [ -0.0001871400000000, -0.0002213100000000, 0.0000850400000000 ] - [ -0.0001093800000000, -0.0006481400000000, 0.0000464400000000 ] - [ 0.0011176500000000, 0.0063074100000000, 0.0022004500000000 ] - [ -0.0004304200000000, -0.0004899600000000, 0.0001997400000000 ] - [ 0.0010687000000000, -0.0044620000000000, 0.0023894000000000 ] - [ -0.0000321100000000, -0.0004697200000000, -0.0002601800000000 ]- atom: 2 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0002484800000000, -0.0005606800000000, 0.0003632600000000 ] - [ 0.0123421800000000, 0.0329924500000000, 0.0019167700000000 ] - [ 0.0001596900000000, 0.0005712000000000, -0.0001211800000000 ] - [ 0.0013130500000000, -0.0017124800000000, -0.0014036200000000 ] - [ 0.0000842000000000, -0.0004587900000000, 0.0002474500000000 ] - [ 0.0000107700000000, -0.0003825600000000, -0.0001226300000000 ] - [ -0.0006022800000000, 0.0005503600000000, 0.0001143700000000 ] - [ -0.0005154300000000, -0.0001527000000000, -0.0051942900000000 ] - [ -0.0000942000000000, 0.0000425600000000, -0.0002627800000000 ] - [ 0.0000163800000000, 0.0002221800000000, 0.0000938700000000 ] - [ 0.0002892200000000, -0.0045121300000000, -0.0002052800000000 ] - [ 0.0005167900000000, -0.0002403200000000, -0.0000228800000000 ] - [ -0.0000568800000000, -0.0003843600000000, 0.0000983500000000 ] - [ 0.0001421600000000, -0.0003628000000000, 0.0003089000000000 ] - [ -0.0025444100000000, -0.0024072700000000, -0.0033035300000000 ] - [ 0.0002462100000000, 0.0002130500000000, -0.0000786900000000 ] - [ -0.0010907600000000, 0.0030714500000000, -0.0002156300000000 ] - [ -0.0038329800000000, 0.0005390100000000, -0.0007161200000000 ] - [ -0.0001491000000000, 0.0003313700000000, -0.0002304700000000 ] - [ 0.0000221100000000, 0.0007850400000000, -0.0003692600000000 ] - [ 0.0014719000000000, 0.0003729900000000, 0.0037639300000000 ] - [ -0.0000024700000000, 0.0001209700000000, 0.0000796200000000 ] - [ -0.0005677200000000, -0.0002334400000000, 0.0005111500000000 ] - [ -0.0002964600000000, 0.0000174400000000, 0.0000897800000000 ] - [ -0.0003241000000000, 0.0011345900000000, 0.0008589000000000 ] - [ 0.0004729700000000, -0.0001289400000000, -0.0003107600000000 ] - [ -0.0009337800000000, -0.0004486900000000, -0.0000363000000000 ] - [ -0.0007507900000000, -0.0009526100000000, -0.0001372400000000 ] - [ 0.0011751800000000, -0.0006787600000000, 0.0015704800000000 ] - [ -0.0002843200000000, -0.0017134800000000, -0.0009076000000000 ] - [ 0.0002618000000000, 0.0004536400000000, -0.0000028300000000 ] - [ 0.0000062700000000, 0.0002299600000000, 0.0001840500000000 ] - [ -0.0003612400000000, -0.0005047400000000, 0.0001526200000000 ] - [ -0.0002956200000000, -0.0009155300000000, 0.0001405800000000 ] - [ 0.0002440100000000, -0.0006584000000000, 0.0000658200000000 ] - [ 0.0000410500000000, -0.0005551200000000, 0.0001483500000000 ] - [ 0.0050370700000000, 0.0004534700000000, 0.0001417600000000 ] - [ -0.0000558500000000, 0.0001825200000000, 0.0000930000000000 ] - [ -0.0029150500000000, 0.0013204500000000, 0.0070185200000000 ] - [ -0.0024317600000000, 0.0025800900000000, 0.0011180300000000 ] - [ -0.0002232700000000, -0.0001869100000000, -0.0001912900000000 ] - [ 0.0000136600000000, 0.0004727300000000, 0.0000420500000000 ] - [ 0.0006410400000000, -0.0002198200000000, -0.0004557500000000 ] - [ -0.0000380200000000, -0.0007740200000000, 0.0001492800000000 ] - [ -0.0004441800000000, -0.0007045200000000, 0.0002021400000000 ] - [ -0.0000940300000000, 0.0003572500000000, 0.0002667700000000 ] - [ -0.0023201500000000, -0.0077711000000000, 0.0077813800000000 ] - [ -0.0007676300000000, -0.0000669100000000, -0.0000187300000000 ] - [ -0.0002026000000000, 0.0013726400000000, 0.0000416000000000 ] - [ 0.0006039800000000, 0.0003459400000000, -0.0004040900000000 ] - [ -0.0002318500000000, -0.0010670800000000, 0.0007963500000000 ] - [ 0.0009620100000000, -0.0006614400000000, 0.0001648600000000 ] - [ 0.0010845300000000, 0.0000654800000000, -0.0000201800000000 ] - [ -0.0024837200000000, -0.0058895100000000, -0.0011126600000000 ] - [ -0.0003684800000000, 0.0000546700000000, 0.0000337600000000 ] - [ 0.0008863500000000, -0.0040453100000000, -0.0012655500000000 ] - [ -0.0014703800000000, 0.0018665000000000, -0.0002640500000000 ] - [ -0.0004361100000000, -0.0034055400000000, 0.0002307200000000 ] - [ 0.0017469400000000, 0.0006148700000000, -0.0022895300000000 ] - [ 0.0002663700000000, -0.0003054000000000, -0.0002326200000000 ] - [ -0.0004116700000000, -0.0002344700000000, -0.0001274800000000 ] - [ 0.0001651300000000, -0.0008267200000000, -0.0000401200000000 ] - [ 0.0000124000000000, 0.0001587600000000, 0.0001446200000000 ] - [ -0.0002779900000000, -0.0002638300000000, -0.0001649300000000 ] - [ -0.0001166600000000, -0.0003521500000000, 0.0002997900000000 ] - [ -0.0001314300000000, -0.0044292000000000, -0.0019777900000000 ] - [ -0.0002281200000000, -0.0001725500000000, 0.0004152500000000 ] - [ 0.0005255300000000, -0.0028991900000000, -0.0019396100000000 ] - [ -0.0004018300000000, 0.0009897600000000, 0.0002099900000000 ] - [ 0.0002406100000000, -0.0000649300000000, -0.0001118900000000 ] - [ 0.0016922400000000, 0.0000775100000000, -0.0024192200000000 ] - [ 0.0006942500000000, 0.0001721000000000, 0.0001216800000000 ] - [ -0.0003092300000000, 0.0010474000000000, 0.0006807800000000 ] - [ 0.0001943100000000, 0.0001946700000000, -0.0002650900000000 ] - [ -0.0010193900000000, 0.0001391100000000, 0.0001463000000000 ] - [ -0.0003542800000000, 0.0004273300000000, 0.0002028500000000 ] - [ 0.0000225200000000, -0.0001088500000000, 0.0007681100000000 ] - [ 0.0002734500000000, 0.0001337900000000, 0.0000559900000000 ] - [ -0.0004331300000000, 0.0002727800000000, -0.0003911500000000 ] - [ 0.0001119100000000, -0.0003523100000000, -0.0000493800000000 ] - [ -0.0018396000000000, -0.0066592500000000, -0.0021695700000000 ] - [ -0.0000122700000000, 0.0001707500000000, -0.0001365300000000 ] - [ -0.0014543400000000, 0.0041497200000000, -0.0019614100000000 ] - [ 0.0004338000000000, 0.0001562800000000, -0.0001841600000000 ]- atom: 2 displacement: [ -0.0029959570305193, 0.0000000000000000, 0.0095406625279003 ] forces: - [ 0.0000194700000000, -0.0004706000000000, 0.0000907300000000 ] - [ 0.0119308800000000, 0.0022646600000000, -0.0333139400000000 ] - [ -0.0001937900000000, 0.0003392700000000, -0.0003277800000000 ] - [ -0.0013528600000000, 0.0012020500000000, 0.0009296500000000 ] - [ -0.0008438600000000, -0.0002895100000000, 0.0025513800000000 ] - [ 0.0002575600000000, -0.0003816600000000, 0.0000109600000000 ] - [ -0.0007563900000000, 0.0002592300000000, 0.0002863700000000 ] - [ 0.0028936100000000, 0.0046838100000000, 0.0048413600000000 ] - [ -0.0018868400000000, 0.0003454000000000, 0.0014212000000000 ] - [ -0.0002809600000000, 0.0004172000000000, 0.0000124000000000 ] - [ 0.0003790200000000, 0.0002287600000000, -0.0013400900000000 ] - [ 0.0009080600000000, -0.0004962200000000, -0.0005027200000000 ] - [ 0.0002152200000000, -0.0003909300000000, 0.0002427600000000 ] - [ -0.0003631500000000, -0.0007526500000000, 0.0009425200000000 ] - [ 0.0021822200000000, 0.0027488400000000, 0.0000145400000000 ] - [ 0.0000327700000000, 0.0002772600000000, 0.0001506500000000 ] - [ -0.0001383300000000, 0.0006246700000000, -0.0031855700000000 ] - [ -0.0009046200000000, -0.0007420700000000, -0.0021417200000000 ] - [ -0.0006687800000000, 0.0005168700000000, 0.0002464100000000 ] - [ -0.0004562000000000, 0.0004939800000000, -0.0003092100000000 ] - [ 0.0035396700000000, -0.0023319800000000, 0.0043996200000000 ] - [ 0.0000546000000000, 0.0001828800000000, 0.0006295800000000 ] - [ -0.0006248200000000, 0.0000585700000000, 0.0016171700000000 ] - [ 0.0004091300000000, -0.0003372300000000, 0.0001379800000000 ] - [ -0.0042079900000000, -0.0012558000000000, 0.0028825300000000 ] - [ 0.0013428600000000, 0.0001366900000000, 0.0001640100000000 ] - [ -0.0007746800000000, 0.0002867400000000, -0.0000132600000000 ] - [ -0.0006712300000000, -0.0005604900000000, -0.0005012800000000 ] - [ 0.0008608800000000, -0.0009182800000000, -0.0003728200000000 ] - [ 0.0007731200000000, 0.0002966800000000, -0.0009273500000000 ] - [ 0.0001039200000000, 0.0004134100000000, 0.0003735900000000 ] - [ 0.0004226300000000, -0.0002420200000000, 0.0008930000000000 ] - [ -0.0000041500000000, -0.0003206100000000, 0.0005388000000000 ] - [ -0.0008224300000000, -0.0008842700000000, 0.0004248800000000 ] - [ 0.0003981000000000, -0.0003915100000000, -0.0002821700000000 ] - [ 0.0000148600000000, -0.0004507300000000, 0.0004511100000000 ] - [ 0.0003953600000000, 0.0004193000000000, -0.0059107400000000 ] - [ -0.0007364200000000, -0.0005780500000000, 0.0019279100000000 ] - [ -0.0113452500000000, -0.0070749000000000, 0.0022274200000000 ] - [ 0.0041738100000000, -0.0029298900000000, 0.0112770300000000 ] - [ 0.0000773800000000, -0.0003092000000000, -0.0009193100000000 ] - [ -0.0000820800000000, 0.0005442000000000, 0.0006405400000000 ] - [ 0.0001673400000000, 0.0016682400000000, -0.0004581500000000 ] - [ -0.0003173300000000, 0.0001610100000000, 0.0006236700000000 ] - [ 0.0004216200000000, -0.0003293100000000, -0.0004685500000000 ] - [ -0.0003319000000000, 0.0003958600000000, 0.0006486400000000 ] - [ -0.0014534900000000, -0.0035243400000000, -0.0024561700000000 ] - [ 0.0003037100000000, 0.0005531300000000, 0.0018162700000000 ] - [ -0.0008260800000000, 0.0008127500000000, -0.0003426000000000 ] - [ 0.0008736200000000, 0.0000076300000000, -0.0008143900000000 ] - [ 0.0020146500000000, -0.0010380600000000, 0.0029254400000000 ] - [ 0.0001157400000000, 0.0011856000000000, -0.0047798500000000 ] - [ -0.0002800100000000, -0.0002299400000000, -0.0000581900000000 ] - [ -0.0020754000000000, -0.0007378500000000, 0.0051311400000000 ] - [ -0.0005389100000000, 0.0000457800000000, -0.0000459900000000 ] - [ -0.0034264800000000, 0.0023475400000000, 0.0069263600000000 ] - [ -0.0000753500000000, 0.0010972300000000, 0.0016839800000000 ] - [ -0.0024977700000000, 0.0004708500000000, 0.0043308100000000 ] - [ 0.0004122000000000, 0.0014665100000000, 0.0010084000000000 ] - [ -0.0002900300000000, -0.0001756300000000, -0.0014791400000000 ] - [ 0.0010531600000000, 0.0002568800000000, -0.0016658900000000 ] - [ 0.0000096600000000, -0.0004380500000000, -0.0010001100000000 ] - [ 0.0002130500000000, 0.0001502800000000, 0.0006778400000000 ] - [ -0.0007215000000000, -0.0002050400000000, -0.0008340100000000 ] - [ 0.0000569500000000, -0.0001975700000000, 0.0003561700000000 ] - [ 0.0033621500000000, 0.0022317700000000, -0.0021933100000000 ] - [ 0.0000011200000000, -0.0001504000000000, -0.0002600400000000 ] - [ -0.0041309900000000, 0.0011300800000000, -0.0020714800000000 ] - [ -0.0000042800000000, 0.0000306300000000, 0.0012803500000000 ] - [ 0.0000991100000000, -0.0001112800000000, -0.0004837600000000 ] - [ 0.0041932900000000, 0.0011635300000000, -0.0014853300000000 ] - [ 0.0003791700000000, 0.0002661500000000, 0.0005415300000000 ] - [ -0.0001457400000000, -0.0006075300000000, -0.0008967200000000 ] - [ 0.0002667400000000, 0.0001470400000000, -0.0002065500000000 ] - [ 0.0012406000000000, -0.0004488900000000, 0.0010814900000000 ] - [ 0.0000342800000000, -0.0001241700000000, -0.0001637600000000 ] - [ -0.0008163200000000, -0.0003295900000000, 0.0013009500000000 ] - [ 0.0006721400000000, 0.0000384800000000, -0.0007263000000000 ] - [ -0.0006684100000000, 0.0003181500000000, -0.0004391800000000 ] - [ -0.0003534800000000, -0.0010627600000000, -0.0009697800000000 ] - [ -0.0013960700000000, -0.0000920500000000, 0.0047505300000000 ] - [ 0.0000374200000000, -0.0003468800000000, -0.0020057800000000 ] - [ 0.0000527900000000, -0.0002574300000000, 0.0011374200000000 ] - [ 0.0000987700000000, -0.0001702200000000, -0.0001941300000000 ]- atom: 2 displacement: [ 0.0029959570305193, 0.0000000000000000, -0.0095406625279003 ] forces: - [ -0.0007496700000000, -0.0002017500000000, 0.0001491100000000 ] - [ -0.0119845600000000, -0.0018275800000000, 0.0330765100000000 ] - [ 0.0002375800000000, 0.0004207000000000, 0.0000855600000000 ] - [ 0.0020851500000000, -0.0018629800000000, -0.0011590100000000 ] - [ 0.0008049500000000, -0.0004689200000000, -0.0023139600000000 ] - [ -0.0002139400000000, -0.0003766700000000, -0.0002536800000000 ] - [ 0.0000255900000000, 0.0004103000000000, -0.0000512300000000 ] - [ -0.0021899900000000, -0.0040606800000000, -0.0051126900000000 ] - [ 0.0011595200000000, -0.0010198400000000, -0.0011919100000000 ] - [ 0.0002378500000000, 0.0003418800000000, 0.0002291000000000 ] - [ -0.0003379900000000, 0.0005289800000000, 0.0011062400000000 ] - [ -0.0001766100000000, -0.0001756300000000, 0.0002663000000000 ] - [ -0.0002633400000000, -0.0003668900000000, 0.0000009300000000 ] - [ 0.0004086400000000, -0.0000081600000000, -0.0011848400000000 ] - [ -0.0029148600000000, -0.0020716900000000, 0.0002082100000000 ] - [ 0.0006964000000000, 0.0003939500000000, -0.0003861100000000 ] - [ -0.0006321000000000, 0.0000596400000000, 0.0037169800000000 ] - [ 0.0009289600000000, 0.0003136900000000, 0.0021336800000000 ] - [ 0.0001386100000000, 0.0003194600000000, -0.0003494200000000 ] - [ 0.0011885700000000, 0.0001907000000000, -0.0002310300000000 ] - [ -0.0030532200000000, 0.0032069000000000, -0.0043426900000000 ] - [ -0.0000551400000000, 0.0002539800000000, -0.0006306400000000 ] - [ -0.0001042600000000, -0.0007401800000000, -0.0010761600000000 ] - [ -0.0009319300000000, -0.0004978500000000, -0.0002259900000000 ] - [ 0.0046872400000000, 0.0004120700000000, -0.0027482400000000 ] - [ -0.0006095400000000, -0.0008258800000000, -0.0007036300000000 ] - [ 0.0000459400000000, 0.0004090100000000, 0.0005445700000000 ] - [ 0.0006689400000000, 0.0001263200000000, 0.0005016500000000 ] - [ -0.0013863800000000, 0.0017479900000000, 0.0002584200000000 ] - [ -0.0000370100000000, 0.0003931700000000, 0.0003968600000000 ] - [ 0.0004209600000000, 0.0004173900000000, -0.0002617200000000 ] - [ -0.0004219400000000, 0.0006759400000000, -0.0008928500000000 ] - [ -0.0007343700000000, -0.0003680200000000, -0.0000016100000000 ] - [ 0.0002952900000000, 0.0000431500000000, -0.0005275400000000 ] - [ 0.0001292700000000, -0.0004429500000000, 0.0003837600000000 ] - [ 0.0007143600000000, -0.0002425200000000, -0.0009897300000000 ] - [ -0.0003495800000000, 0.0003666800000000, 0.0058760700000000 ] - [ 0.0007370800000000, -0.0002220100000000, -0.0019308500000000 ] - [ 0.0114416200000000, 0.0064456000000000, -0.0019422800000000 ] - [ -0.0041706600000000, 0.0036643700000000, -0.0108497700000000 ] - [ -0.0000651200000000, -0.0004062000000000, 0.0006073900000000 ] - [ 0.0000966100000000, 0.0001735200000000, -0.0009487000000000 ] - [ -0.0001702200000000, -0.0008711800000000, 0.0004622400000000 ] - [ 0.0003183600000000, -0.0009595900000000, -0.0006248600000000 ] - [ -0.0004305000000000, -0.0003854700000000, 0.0007792900000000 ] - [ 0.0003176700000000, 0.0003197200000000, -0.0003362600000000 ] - [ 0.0014779600000000, 0.0027937000000000, 0.0020879000000000 ] - [ -0.0002971200000000, 0.0001607000000000, -0.0021300400000000 ] - [ 0.0001300700000000, -0.0007828800000000, 0.0012056700000000 ] - [ -0.0001657200000000, 0.0000274100000000, -0.0000504700000000 ] - [ -0.0013902900000000, 0.0009774700000000, -0.0026002700000000 ] - [ 0.0003268200000000, -0.0015236700000000, 0.0047225200000000 ] - [ 0.0009819600000000, 0.0001958500000000, -0.0008106800000000 ] - [ 0.0025797200000000, 0.0011072700000000, -0.0052236900000000 ] - [ 0.0001350800000000, 0.0002666000000000, 0.0004877200000000 ] - [ 0.0036821300000000, -0.0018787300000000, -0.0066402800000000 ] - [ 0.0000641300000000, -0.0000841700000000, -0.0016738300000000 ] - [ 0.0018501500000000, -0.0005123600000000, -0.0046472700000000 ] - [ -0.0011222700000000, -0.0014844200000000, -0.0001284500000000 ] - [ 0.0009162200000000, 0.0002285100000000, 0.0017833800000000 ] - [ -0.0016687500000000, -0.0002036900000000, 0.0013622600000000 ] - [ -0.0000049900000000, -0.0005659800000000, 0.0010006200000000 ] - [ -0.0006557900000000, 0.0001740700000000, -0.0006162700000000 ] - [ 0.0002772100000000, -0.0001206500000000, 0.0008924600000000 ] - [ -0.0004562300000000, -0.0001161400000000, 0.0000895200000000 ] - [ -0.0028806300000000, -0.0025192400000000, 0.0015112600000000 ] - [ -0.0007079300000000, 0.0001848500000000, 0.0011254400000000 ] - [ 0.0048140500000000, -0.0010898100000000, 0.0012345500000000 ] - [ 0.0006273300000000, -0.0000841800000000, -0.0009785800000000 ] - [ 0.0003416500000000, -0.0002138900000000, 0.0004208000000000 ] - [ -0.0034962200000000, -0.0012025500000000, 0.0006169700000000 ] - [ 0.0000611200000000, 0.0000573400000000, -0.0005998700000000 ] - [ -0.0002513200000000, 0.0009278800000000, 0.0013436000000000 ] - [ 0.0001307900000000, 0.0001664600000000, -0.0002374600000000 ] - [ -0.0012382600000000, 0.0014541500000000, -0.0010888000000000 ] - [ -0.0006553100000000, 0.0000697100000000, -0.0001407600000000 ] - [ 0.0001107400000000, 0.0002956200000000, -0.0004329300000000 ] - [ -0.0000560300000000, 0.0000127200000000, 0.0010301400000000 ] - [ 0.0000507100000000, -0.0002647800000000, 0.0001381800000000 ] - [ 0.0003547800000000, 0.0000574200000000, 0.0009672700000000 ] - [ 0.0009628900000000, 0.0004367900000000, -0.0046766600000000 ] - [ -0.0004790600000000, 0.0000227700000000, 0.0020695300000000 ] - [ -0.0004487800000000, -0.0000582500000000, -0.0006756700000000 ] - [ 0.0002969700000000, -0.0001443900000000, -0.0002532900000000 ]- atom: 17 displacement: [ 0.0099999877275060, 0.0000000000000000, -0.0000156668353337 ] forces: - [ 0.0000634100000000, -0.0003801100000000, 0.0003941300000000 ] - [ 0.0092892400000000, 0.0010768800000000, 0.0032997700000000 ] - [ 0.0011906400000000, 0.0000351300000000, -0.0006156100000000 ] - [ 0.0012615500000000, -0.0005820200000000, -0.0001450600000000 ] - [ 0.0003331600000000, -0.0005792300000000, -0.0000413900000000 ] - [ 0.0006701000000000, -0.0004843500000000, 0.0011037800000000 ] - [ 0.0006841900000000, 0.0000907500000000, 0.0002813600000000 ] - [ 0.0008440700000000, 0.0006037600000000, 0.0004150000000000 ] - [ -0.0012815600000000, 0.0000538500000000, -0.0008884800000000 ] - [ 0.0006447800000000, 0.0009477100000000, -0.0001001400000000 ] - [ -0.0003725900000000, -0.0002746900000000, 0.0001756400000000 ] - [ 0.0020722200000000, -0.0054166400000000, 0.0046891600000000 ] - [ -0.0001711000000000, -0.0003689200000000, 0.0004600600000000 ] - [ 0.0000809500000000, -0.0000551100000000, -0.0004691900000000 ] - [ -0.0006702600000000, -0.0053215300000000, -0.0031398800000000 ] - [ 0.0002340800000000, 0.0004950800000000, -0.0011459100000000 ] - [ -0.0570811100000000, 0.0157080200000000, 0.0069451100000000 ] - [ 0.0007688200000000, -0.0001948000000000, 0.0001849700000000 ] - [ 0.0010477100000000, 0.0005121500000000, 0.0001903300000000 ] - [ 0.0020316700000000, 0.0003015600000000, -0.0058379300000000 ] - [ 0.0009718300000000, 0.0002989200000000, 0.0005138600000000 ] - [ 0.0005550300000000, 0.0001446100000000, 0.0003386000000000 ] - [ -0.0010737700000000, -0.0005110700000000, -0.0003954700000000 ] - [ 0.0001636700000000, -0.0003599300000000, 0.0001821100000000 ] - [ 0.0013257500000000, -0.0002995400000000, 0.0001178200000000 ] - [ -0.0033221700000000, -0.0010896300000000, 0.0011841000000000 ] - [ 0.0003930700000000, 0.0004357100000000, 0.0002825900000000 ] - [ -0.0024963900000000, 0.0030943300000000, -0.0025629100000000 ] - [ -0.0016761800000000, 0.0027410300000000, -0.0003947400000000 ] - [ 0.0008849300000000, 0.0003907700000000, 0.0000609400000000 ] - [ 0.0003616700000000, 0.0002836200000000, -0.0005594800000000 ] - [ -0.0009395200000000, 0.0008492400000000, -0.0012786200000000 ] - [ 0.0000608100000000, -0.0002904100000000, 0.0005686700000000 ] - [ -0.0009910900000000, -0.0009240200000000, -0.0003272300000000 ] - [ -0.0005110900000000, 0.0011340400000000, 0.0006368600000000 ] - [ 0.0009809800000000, -0.0002302300000000, -0.0002109900000000 ] - [ 0.0007790200000000, 0.0003087400000000, -0.0006907900000000 ] - [ 0.0003406700000000, -0.0002546100000000, 0.0000182400000000 ] - [ -0.0032842700000000, 0.0006199600000000, 0.0071666400000000 ] - [ 0.0047151500000000, 0.0010058400000000, -0.0052174200000000 ] - [ 0.0119733500000000, 0.0015007200000000, 0.0012089300000000 ] - [ 0.0001789500000000, 0.0005313800000000, -0.0001031300000000 ] - [ 0.0004461100000000, -0.0046294800000000, 0.0001773100000000 ] - [ -0.0002350800000000, -0.0007692500000000, 0.0002667800000000 ] - [ 0.0008471100000000, -0.0002025700000000, -0.0000628300000000 ] - [ 0.0015760100000000, 0.0000109400000000, 0.0009152200000000 ] - [ 0.0013449500000000, -0.0002101500000000, -0.0006806200000000 ] - [ 0.0002117700000000, 0.0002396500000000, 0.0000063800000000 ] - [ -0.0008827200000000, 0.0002203400000000, 0.0000680700000000 ] - [ -0.0010080400000000, -0.0001269700000000, -0.0005574000000000 ] - [ -0.0011170200000000, -0.0000768600000000, 0.0003213000000000 ] - [ -0.0006541700000000, -0.0008467500000000, 0.0031467100000000 ] - [ -0.0005423100000000, -0.0000971600000000, -0.0004706800000000 ] - [ 0.0100993400000000, -0.0033316600000000, 0.0012362600000000 ] - [ -0.0006376200000000, 0.0002775000000000, 0.0002618200000000 ] - [ -0.0025114300000000, 0.0005099300000000, 0.0010917000000000 ] - [ -0.0008319000000000, 0.0005205100000000, -0.0000596800000000 ] - [ -0.0015054900000000, 0.0001531500000000, -0.0002568400000000 ] - [ -0.0016556900000000, -0.0001490000000000, 0.0007332800000000 ] - [ -0.0003674700000000, 0.0000422500000000, -0.0002030400000000 ] - [ -0.0014487500000000, 0.0000408900000000, -0.0003322200000000 ] - [ -0.0006028800000000, -0.0006391800000000, -0.0002747400000000 ] - [ -0.0036666600000000, -0.0015918600000000, 0.0021583700000000 ] - [ 0.0006851200000000, 0.0000996200000000, -0.0003170500000000 ] - [ -0.0036433400000000, 0.0007066500000000, -0.0009126600000000 ] - [ -0.0001014800000000, -0.0004873100000000, -0.0024420000000000 ] - [ -0.0000814100000000, -0.0000938600000000, 0.0014453600000000 ] - [ 0.0111798800000000, 0.0016673200000000, -0.0044009700000000 ] - [ 0.0032320500000000, 0.0017222700000000, -0.0008024900000000 ] - [ -0.0004940500000000, -0.0002249400000000, -0.0008933200000000 ] - [ 0.0043475100000000, -0.0007715300000000, -0.0016777000000000 ] - [ -0.0006369200000000, 0.0002796900000000, 0.0001222800000000 ] - [ 0.0000587900000000, 0.0002133800000000, 0.0001613600000000 ] - [ -0.0009194400000000, 0.0002867200000000, -0.0010590200000000 ] - [ 0.0127649900000000, -0.0084697300000000, -0.0058199400000000 ] - [ -0.0006221300000000, 0.0015582900000000, 0.0009704000000000 ] - [ 0.0062240600000000, 0.0003925200000000, 0.0012330900000000 ] - [ 0.0008125600000000, 0.0000131000000000, 0.0006058200000000 ] - [ 0.0010449400000000, -0.0006100700000000, -0.0003440700000000 ] - [ 0.0012663800000000, 0.0000381600000000, 0.0003155900000000 ] - [ -0.0013931600000000, -0.0006641500000000, -0.0001691100000000 ] - [ -0.0006523200000000, -0.0000051300000000, -0.0000515700000000 ] - [ -0.0006362600000000, -0.0000893900000000, 0.0003030300000000 ] - [ -0.0003242000000000, -0.0004528400000000, -0.0000465400000000 ]- atom: 17 displacement: [ -0.0099999877275060, 0.0000000000000000, 0.0000156668353337 ] forces: - [ -0.0007953200000000, -0.0002905000000000, -0.0001592900000000 ] - [ -0.0094719300000000, -0.0003299800000000, -0.0031199100000000 ] - [ -0.0011470500000000, 0.0007210600000000, 0.0003725800000000 ] - [ -0.0005257800000000, -0.0000867600000000, -0.0000865900000000 ] - [ -0.0003719900000000, -0.0001806800000000, 0.0002872700000000 ] - [ -0.0006277500000000, -0.0002723300000000, -0.0013455800000000 ] - [ -0.0014200500000000, 0.0005772500000000, -0.0000460200000000 ] - [ -0.0001047700000000, 0.0000662700000000, -0.0006528700000000 ] - [ 0.0005455100000000, -0.0007238100000000, 0.0011280200000000 ] - [ -0.0006870900000000, -0.0001823100000000, 0.0003404200000000 ] - [ 0.0004204000000000, 0.0010306100000000, -0.0004185000000000 ] - [ -0.0013474300000000, 0.0047002200000000, -0.0048844200000000 ] - [ 0.0001215500000000, -0.0003893200000000, -0.0002170800000000 ] - [ -0.0000347800000000, -0.0007027200000000, 0.0002295500000000 ] - [ -0.0000343700000000, 0.0060229500000000, 0.0033903600000000 ] - [ 0.0004933500000000, 0.0001774200000000, 0.0009039600000000 ] - [ 0.0562346500000000, -0.0150205400000000, -0.0066732100000000 ] - [ -0.0007716800000000, -0.0002390500000000, -0.0001850500000000 ] - [ -0.0015627200000000, 0.0003195600000000, -0.0002944300000000 ] - [ -0.0012982800000000, 0.0003740700000000, 0.0052440100000000 ] - [ -0.0004395500000000, 0.0005409700000000, -0.0004117000000000 ] - [ -0.0005535800000000, 0.0002915800000000, -0.0003375200000000 ] - [ 0.0003412200000000, -0.0001742500000000, 0.0009330700000000 ] - [ -0.0006903200000000, -0.0004762800000000, -0.0002871100000000 ] - [ -0.0008091300000000, -0.0005349000000000, -0.0000107000000000 ] - [ 0.0040403400000000, 0.0003990100000000, -0.0017577300000000 ] - [ -0.0011258200000000, 0.0002598800000000, 0.0002551800000000 ] - [ 0.0024617400000000, -0.0035274000000000, 0.0025662400000000 ] - [ 0.0011694100000000, -0.0018991400000000, 0.0002907000000000 ] - [ -0.0001322100000000, 0.0003068000000000, -0.0005858200000000 ] - [ 0.0001634000000000, 0.0005490600000000, 0.0006704500000000 ] - [ 0.0009371500000000, -0.0004139600000000, 0.0012723600000000 ] - [ -0.0008024900000000, -0.0003990600000000, -0.0000349000000000 ] - [ 0.0004583000000000, 0.0000794400000000, 0.0002275100000000 ] - [ 0.0010343300000000, -0.0019730900000000, -0.0005344200000000 ] - [ -0.0002570900000000, -0.0004522300000000, -0.0003367600000000 ] - [ -0.0007800500000000, 0.0004926900000000, 0.0006921600000000 ] - [ -0.0003395100000000, -0.0005472500000000, -0.0000159300000000 ] - [ 0.0032916600000000, -0.0013109100000000, -0.0068018300000000 ] - [ -0.0046842000000000, -0.0003341400000000, 0.0055826400000000 ] - [ -0.0118559300000000, -0.0021185900000000, -0.0014178300000000 ] - [ -0.0001692700000000, 0.0001824900000000, -0.0002088000000000 ] - [ -0.0004417700000000, 0.0054524700000000, -0.0001880900000000 ] - [ 0.0002363600000000, -0.0000301000000000, -0.0002660000000000 ] - [ -0.0008594400000000, -0.0005139900000000, 0.0003694500000000 ] - [ -0.0015934200000000, 0.0007053700000000, -0.0005996700000000 ] - [ -0.0013291500000000, -0.0005121200000000, 0.0003806400000000 ] - [ -0.0001938700000000, 0.0004777700000000, -0.0003117200000000 ] - [ 0.0001774700000000, -0.0001870500000000, 0.0007983500000000 ] - [ 0.0017152400000000, 0.0001593100000000, -0.0003124400000000 ] - [ 0.0017353400000000, 0.0000232200000000, -0.0000186700000000 ] - [ 0.0010724100000000, 0.0005297300000000, -0.0031915700000000 ] - [ 0.0012450100000000, 0.0000649500000000, -0.0003909800000000 ] - [ -0.0097528300000000, 0.0038477200000000, -0.0014841500000000 ] - [ 0.0002404600000000, 0.0000377000000000, 0.0001871800000000 ] - [ 0.0029041800000000, -0.0001831900000000, -0.0015648000000000 ] - [ 0.0008297900000000, 0.0004856400000000, 0.0000641000000000 ] - [ 0.0008921500000000, -0.0002079800000000, -0.0000406500000000 ] - [ 0.0009513500000000, 0.0001157200000000, 0.0001280200000000 ] - [ 0.0009859500000000, 0.0000110200000000, 0.0005065000000000 ] - [ 0.0008318200000000, 0.0000137700000000, 0.0000263900000000 ] - [ 0.0006049800000000, -0.0003643600000000, 0.0002717400000000 ] - [ 0.0031919300000000, 0.0018877400000000, -0.0021018900000000 ] - [ -0.0011235300000000, -0.0004254300000000, 0.0003812300000000 ] - [ 0.0032496200000000, -0.0010396200000000, 0.0013462100000000 ] - [ 0.0004851000000000, 0.0001549500000000, 0.0019944100000000 ] - [ -0.0006163400000000, 0.0001303700000000, -0.0005773500000000 ] - [ -0.0106823900000000, -0.0017666600000000, 0.0038773600000000 ] - [ -0.0026122300000000, -0.0017831000000000, 0.0011052400000000 ] - [ 0.0009363000000000, -0.0000997400000000, 0.0008291200000000 ] - [ -0.0036345300000000, 0.0007398200000000, 0.0008080400000000 ] - [ 0.0010805300000000, 0.0000445300000000, -0.0001788800000000 ] - [ -0.0004600600000000, 0.0000999400000000, 0.0002803600000000 ] - [ 0.0013211500000000, 0.0000307200000000, 0.0006136900000000 ] - [ -0.0126881900000000, 0.0091584100000000, 0.0056096500000000 ] - [ 0.0000120000000000, -0.0016379800000000, -0.0012807100000000 ] - [ -0.0065900000000000, -0.0001817500000000, -0.0001390100000000 ] - [ -0.0001939500000000, 0.0000384700000000, -0.0003030100000000 ] - [ -0.0016601100000000, 0.0006612600000000, 0.0000444100000000 ] - [ -0.0012642300000000, -0.0010422700000000, -0.0003149600000000 ] - [ 0.0009587200000000, 0.0010001700000000, 0.0002291100000000 ] - [ 0.0002091900000000, -0.0003210100000000, 0.0001098100000000 ] - [ 0.0002309200000000, -0.0002237000000000, 0.0001374500000000 ] - [ 0.0007252100000000, 0.0001371600000000, -0.0003964000000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0004196200000000, -0.0002862900000000, 0.0001400500000000 ] - [ 0.0012687000000000, -0.0023437500000000, 0.0008245100000000 ] - [ -0.0001180300000000, -0.0000599700000000, -0.0003234700000000 ] - [ 0.0004091100000000, -0.0003222900000000, -0.0000520900000000 ] - [ 0.0000935900000000, -0.0004883500000000, -0.0002595700000000 ] - [ 0.0002830100000000, -0.0005951100000000, 0.0004642100000000 ] - [ -0.0003768200000000, 0.0001548100000000, 0.0000333200000000 ] - [ 0.0004277200000000, 0.0001405300000000, 0.0001270500000000 ] - [ 0.0000552700000000, -0.0006264900000000, 0.0012816200000000 ] - [ -0.0003587900000000, 0.0011757300000000, -0.0000494600000000 ] - [ 0.0001782700000000, 0.0024387100000000, -0.0000253700000000 ] - [ -0.0050741300000000, 0.0015713100000000, -0.0049263500000000 ] - [ -0.0001742600000000, -0.0002161200000000, 0.0000492200000000 ] - [ 0.0001938800000000, -0.0001658500000000, -0.0001767600000000 ] - [ -0.0055786900000000, 0.0059465200000000, 0.0050012700000000 ] - [ 0.0004263400000000, 0.0006107600000000, -0.0003381100000000 ] - [ 0.0147947100000000, -0.0595227500000000, -0.0001851600000000 ] - [ 0.0001023000000000, -0.0003812500000000, 0.0000513400000000 ] - [ 0.0000452600000000, 0.0005233700000000, 0.0000375200000000 ] - [ 0.0003885700000000, -0.0028498400000000, -0.0002393200000000 ] - [ -0.0001756100000000, 0.0004398300000000, -0.0002283100000000 ] - [ 0.0000436900000000, 0.0002539000000000, -0.0000305000000000 ] - [ -0.0001961300000000, -0.0008417300000000, -0.0001537700000000 ] - [ -0.0003483100000000, -0.0004792800000000, -0.0000429000000000 ] - [ 0.0005263400000000, -0.0004462900000000, 0.0000629400000000 ] - [ -0.0003775600000000, -0.0027357800000000, 0.0016151300000000 ] - [ -0.0002751000000000, 0.0004626100000000, 0.0002618200000000 ] - [ 0.0033534900000000, 0.0075806200000000, -0.0038599100000000 ] - [ 0.0015775500000000, 0.0042273400000000, -0.0025471800000000 ] - [ 0.0003285000000000, 0.0005643800000000, -0.0001495300000000 ] - [ -0.0002517500000000, 0.0006189100000000, 0.0006038300000000 ] - [ -0.0001065300000000, 0.0005896800000000, -0.0006508200000000 ] - [ -0.0004267600000000, -0.0003092200000000, 0.0002902400000000 ] - [ 0.0001442800000000, 0.0004839400000000, -0.0000254100000000 ] - [ 0.0003693400000000, 0.0019839300000000, 0.0001111100000000 ] - [ 0.0004703200000000, -0.0003163100000000, -0.0003347100000000 ] - [ -0.0000851300000000, 0.0004700000000000, 0.0000992300000000 ] - [ 0.0000538300000000, -0.0005099000000000, -0.0001169100000000 ] - [ 0.0003251500000000, -0.0042216000000000, -0.0078475400000000 ] - [ 0.0037262300000000, -0.0000795800000000, -0.0012703100000000 ] - [ 0.0065185500000000, -0.0029398400000000, -0.0019077600000000 ] - [ -0.0005412000000000, 0.0001242200000000, -0.0002481200000000 ] - [ -0.0026341700000000, 0.0111089200000000, 0.0031480800000000 ] - [ 0.0000648000000000, 0.0005835000000000, 0.0000672100000000 ] - [ -0.0001858800000000, -0.0003899000000000, 0.0001818100000000 ] - [ -0.0001615100000000, 0.0007470400000000, -0.0000363300000000 ] - [ 0.0003542500000000, -0.0001430100000000, -0.0005819500000000 ] - [ 0.0003711200000000, 0.0006346500000000, -0.0003456300000000 ] - [ -0.0004088600000000, -0.0002911300000000, 0.0006413800000000 ] - [ 0.0003851000000000, -0.0001850200000000, -0.0004428100000000 ] - [ 0.0000540700000000, 0.0000354400000000, 0.0000735100000000 ] - [ -0.0011563200000000, -0.0005106500000000, 0.0015333500000000 ] - [ 0.0004704900000000, 0.0000131000000000, -0.0005416000000000 ] - [ -0.0040476600000000, 0.0121181700000000, -0.0033930700000000 ] - [ 0.0001293800000000, 0.0004618700000000, 0.0004256700000000 ] - [ -0.0016044100000000, 0.0017430400000000, -0.0007386700000000 ] - [ 0.0000480400000000, 0.0003308800000000, -0.0000429200000000 ] - [ -0.0000558800000000, 0.0000963500000000, -0.0002015800000000 ] - [ -0.0006060100000000, -0.0000126400000000, 0.0006291000000000 ] - [ 0.0003815400000000, 0.0000905900000000, 0.0002341800000000 ] - [ -0.0005514000000000, 0.0000409000000000, -0.0001177600000000 ] - [ -0.0000365900000000, -0.0004410700000000, 0.0000432100000000 ] - [ -0.0028385300000000, 0.0001337600000000, 0.0019264700000000 ] - [ 0.0003095500000000, 0.0003189200000000, 0.0002316200000000 ] - [ -0.0026228400000000, 0.0022295900000000, 0.0002464500000000 ] - [ 0.0013682000000000, 0.0028820600000000, 0.0022596900000000 ] - [ 0.0001956800000000, 0.0006932300000000, -0.0000084900000000 ] - [ 0.0019058800000000, 0.0090167500000000, -0.0025298700000000 ] - [ -0.0001437200000000, -0.0067459300000000, 0.0012025000000000 ] - [ 0.0001856700000000, -0.0004489800000000, 0.0000502900000000 ] - [ -0.0016940200000000, 0.0007518900000000, 0.0024728100000000 ] - [ 0.0003640000000000, 0.0001742200000000, 0.0000071900000000 ] - [ -0.0006416100000000, -0.0004646500000000, 0.0001070400000000 ] - [ 0.0006855500000000, -0.0007228900000000, 0.0000970900000000 ] - [ -0.0080672000000000, 0.0180800800000000, 0.0086368000000000 ] - [ 0.0008017700000000, -0.0037119600000000, -0.0020760200000000 ] - [ -0.0009243500000000, 0.0067851400000000, 0.0019122500000000 ] - [ 0.0003229000000000, -0.0004858200000000, -0.0000986200000000 ] - [ -0.0002094000000000, -0.0012277700000000, 0.0003482000000000 ] - [ 0.0002303900000000, -0.0008126900000000, -0.0004464900000000 ] - [ -0.0008775900000000, -0.0002359600000000, -0.0000402200000000 ] - [ -0.0003787800000000, -0.0002865900000000, 0.0001209800000000 ] - [ -0.0004869200000000, -0.0012551800000000, 0.0001942500000000 ] - [ 0.0004856900000000, -0.0003217400000000, -0.0002141500000000 ]- atom: 17 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0003099100000000, -0.0003855800000000, 0.0000968000000000 ] - [ -0.0012765400000000, 0.0031138100000000, -0.0005707200000000 ] - [ 0.0001594300000000, 0.0008200100000000, 0.0000823300000000 ] - [ 0.0003226600000000, -0.0003503900000000, -0.0001822900000000 ] - [ -0.0001377500000000, -0.0002712400000000, 0.0005029900000000 ] - [ -0.0002378700000000, -0.0001620600000000, -0.0007091300000000 ] - [ -0.0003573300000000, 0.0005171200000000, 0.0002019300000000 ] - [ 0.0003053200000000, 0.0005331400000000, -0.0003638100000000 ] - [ -0.0007872300000000, -0.0000413100000000, -0.0010471000000000 ] - [ 0.0003172400000000, -0.0004177400000000, 0.0002917000000000 ] - [ -0.0001403000000000, -0.0016846100000000, -0.0002305200000000 ] - [ 0.0058556300000000, -0.0022247100000000, 0.0047304300000000 ] - [ 0.0001278100000000, -0.0005413300000000, 0.0001954100000000 ] - [ -0.0001497300000000, -0.0005905400000000, -0.0000642500000000 ] - [ 0.0047683300000000, -0.0052403400000000, -0.0047020800000000 ] - [ 0.0003007800000000, 0.0000589700000000, 0.0001022100000000 ] - [ -0.0159468600000000, 0.0602283100000000, 0.0014989300000000 ] - [ -0.0001038300000000, -0.0000559200000000, -0.0000515900000000 ] - [ -0.0005702400000000, 0.0003097600000000, -0.0001405000000000 ] - [ 0.0003215500000000, 0.0035322300000000, -0.0002755300000000 ] - [ 0.0006996600000000, 0.0003949300000000, 0.0003284000000000 ] - [ -0.0000431100000000, 0.0001809100000000, 0.0000305200000000 ] - [ -0.0005361200000000, 0.0001567400000000, 0.0006986500000000 ] - [ -0.0001702000000000, -0.0003517100000000, -0.0000572300000000 ] - [ -0.0000006800000000, -0.0003866300000000, 0.0000407200000000 ] - [ 0.0011041500000000, 0.0020306800000000, -0.0021837700000000 ] - [ -0.0004532800000000, 0.0002320200000000, 0.0002771800000000 ] - [ -0.0032927000000000, -0.0079325400000000, 0.0037786900000000 ] - [ -0.0021374600000000, -0.0034278500000000, 0.0024908200000000 ] - [ 0.0004124700000000, 0.0001247400000000, -0.0003779800000000 ] - [ 0.0007666400000000, 0.0002076900000000, -0.0004948000000000 ] - [ 0.0001038500000000, -0.0001491600000000, 0.0006485100000000 ] - [ -0.0003166200000000, -0.0003800200000000, 0.0002350300000000 ] - [ -0.0006656600000000, -0.0013237900000000, -0.0000769600000000 ] - [ 0.0001737900000000, -0.0028231600000000, 0.0000045300000000 ] - [ 0.0002579300000000, -0.0003767200000000, -0.0002056900000000 ] - [ 0.0000850800000000, 0.0003266800000000, -0.0000979900000000 ] - [ -0.0000527900000000, -0.0002890400000000, 0.0001164500000000 ] - [ -0.0003479900000000, 0.0035161700000000, 0.0081911500000000 ] - [ -0.0037166400000000, 0.0007740700000000, 0.0015745800000000 ] - [ -0.0065337000000000, 0.0022155300000000, 0.0016159600000000 ] - [ 0.0005530600000000, 0.0005915600000000, -0.0000603500000000 ] - [ 0.0027227100000000, -0.0103023200000000, -0.0032607700000000 ] - [ -0.0000699400000000, -0.0013874200000000, -0.0000572600000000 ] - [ 0.0001750900000000, -0.0003252200000000, 0.0001270000000000 ] - [ 0.0001499100000000, -0.0000349400000000, 0.0003510800000000 ] - [ -0.0003495200000000, -0.0005680100000000, 0.0002700600000000 ] - [ -0.0003609200000000, 0.0000793500000000, 0.0000366700000000 ] - [ -0.0002931900000000, 0.0003259800000000, 0.0002252500000000 ] - [ 0.0003211300000000, 0.0002217300000000, -0.0004254000000000 ] - [ 0.0005640700000000, -0.0000886800000000, 0.0002285600000000 ] - [ 0.0015863000000000, 0.0001880700000000, -0.0015739200000000 ] - [ 0.0002317200000000, -0.0000463700000000, -0.0003213200000000 ] - [ 0.0041902400000000, -0.0113808800000000, 0.0028889700000000 ] - [ -0.0005302400000000, -0.0001478000000000, 0.0000189400000000 ] - [ 0.0019981000000000, -0.0014192700000000, 0.0002953600000000 ] - [ -0.0000505100000000, 0.0006795200000000, 0.0000473100000000 ] - [ -0.0005630400000000, -0.0001485100000000, -0.0001003900000000 ] - [ -0.0000950400000000, -0.0000244200000000, 0.0002333000000000 ] - [ 0.0002364200000000, -0.0000370600000000, 0.0000692900000000 ] - [ -0.0000658500000000, 0.0000131800000000, -0.0001851600000000 ] - [ 0.0000389700000000, -0.0005629900000000, -0.0000454600000000 ] - [ 0.0023874200000000, 0.0002022700000000, -0.0018718400000000 ] - [ -0.0007498900000000, -0.0006470300000000, -0.0001725000000000 ] - [ 0.0022225500000000, -0.0025506600000000, 0.0001977100000000 ] - [ -0.0009709800000000, -0.0032016100000000, -0.0027020900000000 ] - [ -0.0008980100000000, -0.0006590900000000, 0.0008728300000000 ] - [ -0.0012659600000000, -0.0089981200000000, 0.0017431800000000 ] - [ 0.0007315700000000, 0.0067017000000000, -0.0008674600000000 ] - [ 0.0002532100000000, 0.0001260700000000, -0.0001130800000000 ] - [ 0.0024032800000000, -0.0007811200000000, -0.0033344900000000 ] - [ 0.0000787100000000, 0.0001486000000000, -0.0000640100000000 ] - [ 0.0002461900000000, 0.0007796700000000, 0.0003403400000000 ] - [ -0.0002946800000000, 0.0010422100000000, -0.0005448300000000 ] - [ 0.0086213300000000, -0.0177499600000000, -0.0092602500000000 ] - [ -0.0014341500000000, 0.0036207900000000, 0.0017862900000000 ] - [ 0.0004256600000000, -0.0066264400000000, -0.0009012400000000 ] - [ 0.0002978500000000, 0.0005362000000000, 0.0003985500000000 ] - [ -0.0004066400000000, 0.0012818500000000, -0.0006656400000000 ] - [ -0.0002281100000000, -0.0001847700000000, 0.0004390400000000 ] - [ 0.0004441600000000, 0.0005588100000000, 0.0001014100000000 ] - [ -0.0000621300000000, -0.0000371100000000, -0.0000613600000000 ] - [ 0.0001000000000000, 0.0009377300000000, 0.0002479100000000 ] - [ -0.0000886200000000, 0.0000074000000000, -0.0002322200000000 ]- atom: 17 displacement: [ -0.0029959570305193, 0.0000000000000000, 0.0095406625279003 ] forces: - [ -0.0002607400000000, -0.0002904700000000, 0.0001943500000000 ] - [ 0.0002839900000000, 0.0006266900000000, -0.0033161900000000 ] - [ -0.0006211400000000, 0.0003865400000000, -0.0001005200000000 ] - [ -0.0002073000000000, 0.0000027000000000, -0.0001298800000000 ] - [ -0.0004147500000000, -0.0000890300000000, 0.0014291800000000 ] - [ 0.0005375500000000, -0.0003101900000000, 0.0001682800000000 ] - [ -0.0005244500000000, 0.0002915300000000, -0.0000139400000000 ] - [ 0.0009463300000000, 0.0005625600000000, -0.0000326300000000 ] - [ -0.0005664400000000, 0.0002097200000000, 0.0024969100000000 ] - [ -0.0006272900000000, 0.0005008700000000, -0.0002175800000000 ] - [ 0.0009055100000000, -0.0000422000000000, -0.0006347600000000 ] - [ 0.0044936800000000, -0.0033994200000000, -0.0008589800000000 ] - [ 0.0003055700000000, -0.0004902600000000, 0.0003808200000000 ] - [ -0.0005433200000000, -0.0008737100000000, 0.0005335000000000 ] - [ -0.0031606600000000, 0.0068710200000000, 0.0000783700000000 ] - [ -0.0002052900000000, 0.0002924400000000, 0.0007423300000000 ] - [ 0.0232449000000000, -0.0046113800000000, -0.0624097800000000 ] - [ -0.0001174700000000, -0.0002178100000000, -0.0002274000000000 ] - [ -0.0003969800000000, 0.0004952700000000, -0.0001558000000000 ] - [ -0.0053622100000000, 0.0003285600000000, 0.0051542800000000 ] - [ 0.0010979100000000, 0.0003476100000000, 0.0002994200000000 ] - [ 0.0000730900000000, 0.0002751000000000, 0.0002177600000000 ] - [ -0.0007856900000000, 0.0001119500000000, 0.0021286900000000 ] - [ -0.0001193700000000, -0.0004330700000000, 0.0000282100000000 ] - [ -0.0006310600000000, -0.0006659800000000, -0.0000993500000000 ] - [ 0.0029040400000000, 0.0017041700000000, 0.0071528000000000 ] - [ -0.0005807000000000, 0.0003165700000000, 0.0001035800000000 ] - [ -0.0015443900000000, -0.0045068800000000, -0.0006018900000000 ] - [ -0.0000060400000000, -0.0029256300000000, -0.0011899000000000 ] - [ 0.0005317600000000, 0.0002317400000000, -0.0004617400000000 ] - [ -0.0002518500000000, 0.0004912100000000, 0.0010803500000000 ] - [ 0.0002982000000000, -0.0007035800000000, 0.0021150200000000 ] - [ -0.0002112100000000, -0.0003913300000000, 0.0004057000000000 ] - [ -0.0005021100000000, -0.0009287300000000, 0.0010151200000000 ] - [ 0.0005245500000000, 0.0004394200000000, -0.0006889800000000 ] - [ 0.0002372000000000, -0.0004386400000000, -0.0000556500000000 ] - [ 0.0001881100000000, 0.0004211000000000, -0.0005768500000000 ] - [ -0.0001810300000000, -0.0005246800000000, 0.0005752500000000 ] - [ 0.0031984600000000, -0.0026345200000000, 0.0089953800000000 ] - [ -0.0087335000000000, 0.0011311800000000, 0.0080190300000000 ] - [ 0.0020361300000000, -0.0018052800000000, -0.0079224900000000 ] - [ -0.0009566300000000, 0.0007560500000000, 0.0020911700000000 ] - [ 0.0000581400000000, 0.0079831900000000, 0.0000039600000000 ] - [ -0.0008375100000000, 0.0007941200000000, 0.0012185200000000 ] - [ -0.0001797800000000, -0.0003990100000000, 0.0002325800000000 ] - [ 0.0000733800000000, 0.0004502300000000, 0.0001527600000000 ] - [ -0.0009072900000000, -0.0001738800000000, -0.0013283200000000 ] - [ 0.0006500300000000, 0.0006770000000000, 0.0009235800000000 ] - [ -0.0008095500000000, 0.0001978800000000, 0.0000723000000000 ] - [ 0.0004379400000000, 0.0000588300000000, -0.0003582400000000 ] - [ 0.0006137600000000, -0.0001501100000000, 0.0006690700000000 ] - [ 0.0024140700000000, 0.0001551000000000, -0.0053012500000000 ] - [ 0.0003799400000000, 0.0000782600000000, -0.0005068500000000 ] - [ 0.0000566400000000, -0.0030767400000000, 0.0088997000000000 ] - [ -0.0002098200000000, -0.0001253200000000, -0.0005609900000000 ] - [ 0.0051378500000000, -0.0017826400000000, -0.0002529300000000 ] - [ 0.0000205700000000, 0.0005291400000000, 0.0003176900000000 ] - [ -0.0008056000000000, -0.0000365500000000, 0.0001934800000000 ] - [ 0.0001225600000000, 0.0001542100000000, 0.0007084900000000 ] - [ 0.0000546400000000, -0.0000681200000000, -0.0002995500000000 ] - [ 0.0002434300000000, 0.0000893300000000, -0.0005494100000000 ] - [ -0.0000213000000000, -0.0003848000000000, -0.0002985200000000 ] - [ 0.0019000100000000, 0.0013753300000000, 0.0039094600000000 ] - [ -0.0009399400000000, -0.0000743900000000, -0.0026075200000000 ] - [ -0.0014578000000000, 0.0004377100000000, 0.0015239300000000 ] - [ -0.0015573200000000, -0.0007274100000000, -0.0023529900000000 ] - [ 0.0010253700000000, 0.0000166400000000, -0.0016535300000000 ] - [ -0.0067680700000000, -0.0025189200000000, 0.0132218900000000 ] - [ -0.0012645300000000, -0.0024967100000000, 0.0039276500000000 ] - [ 0.0000225900000000, -0.0002785700000000, -0.0000858000000000 ] - [ 0.0007141600000000, 0.0009312100000000, -0.0036019300000000 ] - [ 0.0005590100000000, 0.0001329400000000, 0.0000269700000000 ] - [ -0.0008466300000000, 0.0000859000000000, -0.0008563100000000 ] - [ 0.0000901100000000, 0.0000087800000000, 0.0002364500000000 ] - [ -0.0093867000000000, 0.0116903400000000, 0.0151205700000000 ] - [ 0.0005790500000000, -0.0021875300000000, -0.0017764900000000 ] - [ -0.0044996400000000, -0.0003302500000000, 0.0086903500000000 ] - [ 0.0009394300000000, -0.0002954700000000, -0.0015318500000000 ] - [ -0.0006230800000000, 0.0006261900000000, -0.0006447800000000 ] - [ 0.0001396000000000, -0.0017646400000000, -0.0020613400000000 ] - [ -0.0002888200000000, 0.0001558200000000, 0.0011991900000000 ] - [ -0.0001703100000000, -0.0003657800000000, -0.0010111400000000 ] - [ 0.0005688500000000, 0.0002090200000000, 0.0012704700000000 ] - [ 0.0004771700000000, -0.0001115300000000, -0.0005904900000000 ]- atom: 17 displacement: [ 0.0029959570305193, 0.0000000000000000, -0.0095406625279003 ] forces: - [ -0.0004675000000000, -0.0003802200000000, 0.0000429000000000 ] - [ -0.0002833700000000, 0.0001339300000000, 0.0035598800000000 ] - [ 0.0006632800000000, 0.0003722800000000, -0.0001369800000000 ] - [ 0.0009388100000000, -0.0006722200000000, -0.0001050900000000 ] - [ 0.0003674400000000, -0.0006706300000000, -0.0011867000000000 ] - [ -0.0004932100000000, -0.0004462200000000, -0.0004155300000000 ] - [ -0.0002088900000000, 0.0003793600000000, 0.0002510700000000 ] - [ -0.0002135500000000, 0.0001092600000000, -0.0002014600000000 ] - [ -0.0001690500000000, -0.0008892100000000, -0.0022673300000000 ] - [ 0.0005827900000000, 0.0002597000000000, 0.0004612900000000 ] - [ -0.0008579800000000, 0.0007979300000000, 0.0003924700000000 ] - [ -0.0037576500000000, 0.0027377500000000, 0.0005840000000000 ] - [ -0.0003506900000000, -0.0002687300000000, -0.0001390700000000 ] - [ 0.0005846200000000, 0.0001147600000000, -0.0007745300000000 ] - [ 0.0024148100000000, -0.0061537200000000, 0.0001304500000000 ] - [ 0.0009346000000000, 0.0003814400000000, -0.0009776900000000 ] - [ -0.0235239500000000, 0.0061885500000000, 0.0623284800000000 ] - [ 0.0001170500000000, -0.0002186200000000, 0.0002280400000000 ] - [ -0.0001290400000000, 0.0003398000000000, 0.0000546200000000 ] - [ 0.0061892800000000, 0.0003458400000000, -0.0057684800000000 ] - [ -0.0005670500000000, 0.0004982000000000, -0.0001988100000000 ] - [ -0.0000739500000000, 0.0001611800000000, -0.0002185200000000 ] - [ 0.0000544300000000, -0.0008003500000000, -0.0015892700000000 ] - [ -0.0004080900000000, -0.0004101800000000, -0.0001270300000000 ] - [ 0.0011523400000000, -0.0001721700000000, 0.0002004800000000 ] - [ -0.0021294400000000, -0.0023592700000000, -0.0075780500000000 ] - [ -0.0001529400000000, 0.0003835900000000, 0.0004285400000000 ] - [ 0.0015334500000000, 0.0040973600000000, 0.0006307000000000 ] - [ -0.0005200900000000, 0.0037597300000000, 0.0010697500000000 ] - [ 0.0002090400000000, 0.0004601800000000, -0.0000711300000000 ] - [ 0.0007741300000000, 0.0003356900000000, -0.0009675000000000 ] - [ -0.0003006900000000, 0.0011333600000000, -0.0021111700000000 ] - [ -0.0005237900000000, -0.0002958400000000, 0.0001285000000000 ] - [ -0.0000296000000000, 0.0000920800000000, -0.0011124300000000 ] - [ 0.0000088800000000, -0.0012876900000000, 0.0007865800000000 ] - [ 0.0004899100000000, -0.0002543600000000, -0.0004796300000000 ] - [ -0.0001876000000000, 0.0003785100000000, 0.0005771000000000 ] - [ 0.0001811300000000, -0.0002775800000000, -0.0005746400000000 ] - [ -0.0033114900000000, 0.0019945300000000, -0.0086935700000000 ] - [ 0.0086996500000000, -0.0004712700000000, -0.0076311600000000 ] - [ -0.0020956800000000, 0.0010709700000000, 0.0076584700000000 ] - [ 0.0009738100000000, -0.0000360500000000, -0.0023972600000000 ] - [ -0.0000387300000000, -0.0071721400000000, -0.0000244900000000 ] - [ 0.0008388800000000, -0.0015833100000000, -0.0012202000000000 ] - [ 0.0001708400000000, -0.0003154000000000, 0.0000785700000000 ] - [ -0.0000912500000000, 0.0002657600000000, 0.0001593000000000 ] - [ 0.0009177800000000, -0.0005401900000000, 0.0010103400000000 ] - [ -0.0006415300000000, 0.0000388700000000, -0.0012300300000000 ] - [ 0.0001074800000000, -0.0001632200000000, 0.0007923400000000 ] - [ 0.0002720500000000, -0.0000238000000000, -0.0005097300000000 ] - [ 0.0000061200000000, 0.0000974500000000, -0.0003650400000000 ] - [ -0.0019879300000000, -0.0004695800000000, 0.0052580600000000 ] - [ 0.0003210700000000, -0.0001112300000000, -0.0003571300000000 ] - [ 0.0002594200000000, 0.0035708500000000, -0.0091047200000000 ] - [ -0.0001962700000000, 0.0004364700000000, 0.0010038900000000 ] - [ -0.0047131400000000, 0.0020898400000000, -0.0001915200000000 ] - [ -0.0000240300000000, 0.0004792000000000, -0.0003133100000000 ] - [ 0.0001850300000000, -0.0000153900000000, -0.0004956600000000 ] - [ -0.0008279100000000, -0.0001882000000000, 0.0001586100000000 ] - [ 0.0005635400000000, 0.0001212300000000, 0.0006033100000000 ] - [ -0.0008573800000000, -0.0000349700000000, 0.0002463800000000 ] - [ 0.0000240900000000, -0.0006182500000000, 0.0002972100000000 ] - [ -0.0023616400000000, -0.0010594800000000, -0.0038791300000000 ] - [ 0.0004889900000000, -0.0002504700000000, 0.0026618600000000 ] - [ 0.0010713000000000, -0.0007545200000000, -0.0010847000000000 ] - [ 0.0019598700000000, 0.0003953100000000, 0.0018908100000000 ] - [ -0.0017366000000000, 0.0000204000000000, 0.0025217500000000 ] - [ 0.0067245900000000, 0.0021495000000000, -0.0130797600000000 ] - [ 0.0018891400000000, 0.0024543100000000, -0.0036292500000000 ] - [ 0.0004178000000000, -0.0000459300000000, 0.0000271900000000 ] - [ 0.0000247300000000, -0.0009816300000000, 0.0027426200000000 ] - [ -0.0001170000000000, 0.0001905700000000, -0.0000858300000000 ] - [ 0.0004512200000000, 0.0002280900000000, 0.0012990100000000 ] - [ 0.0003105100000000, 0.0003064100000000, -0.0006784300000000 ] - [ 0.0097744700000000, -0.0114148700000000, -0.0154719700000000 ] - [ -0.0011942000000000, 0.0021083200000000, 0.0014609600000000 ] - [ 0.0038270700000000, 0.0003301400000000, -0.0077697900000000 ] - [ -0.0003211900000000, 0.0003424500000000, 0.0018334000000000 ] - [ 0.0000007800000000, -0.0005729400000000, 0.0003468300000000 ] - [ -0.0001417500000000, 0.0007496700000000, 0.0020529200000000 ] - [ -0.0001539500000000, 0.0001665300000000, -0.0011363400000000 ] - [ -0.0002690600000000, 0.0000389400000000, 0.0010696000000000 ] - [ -0.0009665000000000, -0.0005228200000000, -0.0008212100000000 ] - [ -0.0000808600000000, -0.0002036400000000, 0.0001430100000000 ]- atom: 18 displacement: [ 0.0099999877275060, 0.0000000000000000, -0.0000156668353337 ] forces: - [ -0.0014111900000000, 0.0002468500000000, -0.0000155300000000 ] - [ 0.0054411800000000, 0.0042367200000000, 0.0008706300000000 ] - [ 0.0054016600000000, -0.0034202900000000, 0.0006184800000000 ] - [ -0.0006760100000000, -0.0009184000000000, -0.0002533900000000 ] - [ -0.0001919600000000, -0.0003822700000000, 0.0001230100000000 ] - [ -0.0001483800000000, -0.0003767200000000, -0.0001176300000000 ] - [ 0.0011341600000000, 0.0005631600000000, -0.0037473400000000 ] - [ 0.0018864300000000, 0.0001033500000000, -0.0040160600000000 ] - [ 0.0002414300000000, -0.0003798400000000, 0.0001912000000000 ] - [ 0.0011611100000000, 0.0011273400000000, -0.0002103400000000 ] - [ 0.0012010800000000, -0.0003703800000000, -0.0004501500000000 ] - [ 0.0009828400000000, -0.0002933500000000, -0.0000424700000000 ] - [ 0.0001664900000000, -0.0003726700000000, 0.0006235800000000 ] - [ 0.0002092900000000, -0.0003861800000000, 0.0003784700000000 ] - [ 0.0003808500000000, 0.0001891500000000, 0.0003864400000000 ] - [ 0.0011187300000000, 0.0004835800000000, 0.0001509500000000 ] - [ 0.0004049400000000, 0.0004461600000000, 0.0003912300000000 ] - [ -0.0494821400000000, 0.0002154200000000, -0.0030109100000000 ] - [ -0.0001840200000000, 0.0000210300000000, -0.0007647300000000 ] - [ 0.0011349300000000, 0.0002402200000000, -0.0001515900000000 ] - [ 0.0003308800000000, 0.0008157100000000, -0.0006608600000000 ] - [ -0.0004320600000000, 0.0002183200000000, -0.0004907800000000 ] - [ 0.0001859100000000, -0.0003874800000000, 0.0005226700000000 ] - [ -0.0031937800000000, -0.0017798500000000, 0.0017810700000000 ] - [ -0.0026948300000000, 0.0009313900000000, 0.0018500100000000 ] - [ 0.0009204700000000, -0.0002993500000000, -0.0000212100000000 ] - [ -0.0028337100000000, 0.0036835800000000, -0.0021284100000000 ] - [ 0.0006687400000000, -0.0002175600000000, 0.0001062300000000 ] - [ 0.0008471600000000, 0.0003872100000000, 0.0004257000000000 ] - [ -0.0021257300000000, -0.0029813900000000, -0.0026523300000000 ] - [ 0.0013703400000000, 0.0004443300000000, 0.0005327900000000 ] - [ 0.0005420500000000, 0.0002166300000000, 0.0004580500000000 ] - [ -0.0013015200000000, -0.0002384100000000, 0.0002871100000000 ] - [ 0.0002185300000000, -0.0003517300000000, 0.0000473200000000 ] - [ 0.0007456300000000, -0.0004859300000000, 0.0001515700000000 ] - [ -0.0005697000000000, -0.0004513200000000, -0.0002547200000000 ] - [ -0.0070567700000000, 0.0003437700000000, 0.0069649300000000 ] - [ 0.0001810400000000, -0.0003981600000000, -0.0004621800000000 ] - [ 0.0012888800000000, 0.0000100700000000, -0.0000565600000000 ] - [ 0.0010887600000000, -0.0001817000000000, 0.0011932500000000 ] - [ 0.0013007900000000, -0.0007245200000000, -0.0003665100000000 ] - [ 0.0011004500000000, 0.0008931200000000, 0.0008784500000000 ] - [ 0.0008239600000000, 0.0003980000000000, -0.0008749900000000 ] - [ 0.0002163200000000, -0.0003988600000000, 0.0002729600000000 ] - [ 0.0008549100000000, 0.0065275800000000, 0.0130592300000000 ] - [ -0.0000349900000000, 0.0005025600000000, -0.0003455300000000 ] - [ 0.0008521600000000, -0.0072911100000000, 0.0128046100000000 ] - [ -0.0000273500000000, 0.0002088100000000, -0.0006594000000000 ] - [ 0.0003416500000000, 0.0001860800000000, 0.0014264700000000 ] - [ 0.0010386600000000, -0.0001482900000000, 0.0005603100000000 ] - [ 0.0092022600000000, 0.0017147500000000, -0.0012296500000000 ] - [ -0.0002658000000000, 0.0000073000000000, -0.0008773400000000 ] - [ 0.0067729300000000, -0.0010572200000000, -0.0036442500000000 ] - [ -0.0007343800000000, 0.0001014600000000, 0.0000767300000000 ] - [ -0.0007353400000000, 0.0005750100000000, -0.0011359700000000 ] - [ -0.0003364300000000, -0.0002669800000000, -0.0015904300000000 ] - [ 0.0027649600000000, 0.0005122700000000, -0.0017075600000000 ] - [ 0.0086470600000000, -0.0017042100000000, -0.0015644300000000 ] - [ 0.0061039500000000, 0.0010076200000000, -0.0027747200000000 ] - [ 0.0008584200000000, 0.0001948600000000, 0.0010416900000000 ] - [ 0.0002401200000000, -0.0001425200000000, 0.0007441200000000 ] - [ 0.0007418000000000, -0.0005010700000000, 0.0003677900000000 ] - [ -0.0011765500000000, 0.0002194700000000, 0.0001401300000000 ] - [ -0.0007097200000000, -0.0003295300000000, -0.0008113100000000 ] - [ -0.0011181100000000, 0.0005841900000000, 0.0006892200000000 ] - [ -0.0007202400000000, -0.0009028600000000, 0.0002471800000000 ] - [ -0.0014446400000000, 0.0002276500000000, -0.0000778000000000 ] - [ -0.0007436300000000, -0.0001943300000000, -0.0009445900000000 ] - [ -0.0008923300000000, -0.0000923200000000, 0.0003532500000000 ] - [ 0.0005742600000000, -0.0003528500000000, 0.0002578900000000 ] - [ -0.0008864900000000, -0.0001079600000000, -0.0002668800000000 ] - [ 0.0102037100000000, -0.0000263300000000, -0.0029290900000000 ] - [ -0.0006234400000000, 0.0005202400000000, 0.0007099500000000 ] - [ -0.0002321100000000, -0.0002044500000000, 0.0002611400000000 ] - [ -0.0009869800000000, 0.0005002600000000, 0.0000380100000000 ] - [ -0.0015126900000000, 0.0000399000000000, 0.0000526800000000 ] - [ -0.0015871700000000, 0.0000744400000000, 0.0005970500000000 ] - [ -0.0004121000000000, -0.0000260100000000, -0.0002618000000000 ] - [ -0.0010301300000000, 0.0000770800000000, -0.0005629300000000 ] - [ -0.0005971900000000, -0.0005013000000000, -0.0004041800000000 ] - [ 0.0105442500000000, -0.0000646600000000, -0.0028312900000000 ] - [ 0.0001348700000000, 0.0000271000000000, 0.0003269900000000 ] - [ -0.0019271300000000, 0.0017812500000000, -0.0035726400000000 ] - [ -0.0015342600000000, -0.0020945800000000, -0.0040200800000000 ]- atom: 18 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0009762100000000, 0.0014674600000000, -0.0007008000000000 ] - [ 0.0039745900000000, -0.0003796600000000, 0.0008216700000000 ] - [ -0.0039745900000000, -0.0003796600000000, -0.0008216700000000 ] - [ 0.0009762100000000, 0.0014674600000000, 0.0007008000000000 ] - [ 0.0001734700000000, -0.0002868800000000, 0.0002181600000000 ] - [ -0.0001734700000000, -0.0002868800000000, -0.0002181600000000 ] - [ -0.0001852500000000, -0.0014868700000000, -0.0003536700000000 ] - [ 0.0001852500000000, -0.0014868700000000, 0.0003536700000000 ] - [ -0.0003242600000000, -0.0005500500000000, 0.0001684500000000 ] - [ 0.0003231000000000, 0.0011115200000000, -0.0001329400000000 ] - [ -0.0003231000000000, 0.0011115200000000, 0.0001329400000000 ] - [ 0.0003242600000000, -0.0005500500000000, -0.0001684500000000 ] - [ 0.0002437200000000, -0.0003935800000000, 0.0006833300000000 ] - [ -0.0002437200000000, -0.0003935800000000, -0.0006833300000000 ] - [ -0.0003790100000000, 0.0007750500000000, 0.0001999800000000 ] - [ 0.0003790100000000, 0.0007750500000000, -0.0001999800000000 ] - [ -0.0003443300000000, 0.0001759800000000, 0.0002739400000000 ] - [ 0.0000000000000000, -0.0539254700000000, 0.0000000000000000 ] - [ -0.0015643500000000, 0.0014587200000000, 0.0013393600000000 ] - [ 0.0003443300000000, 0.0001759800000000, -0.0002739400000000 ] - [ 0.0015643500000000, 0.0014587200000000, -0.0013393600000000 ] - [ 0.0000000000000000, 0.0007944000000000, 0.0000000000000000 ] - [ -0.0002935500000000, -0.0003104100000000, 0.0002295400000000 ] - [ -0.0014663100000000, -0.0029265200000000, -0.0044567900000000 ] - [ 0.0014663100000000, -0.0029265200000000, 0.0044567900000000 ] - [ 0.0002935500000000, -0.0003104100000000, -0.0002295400000000 ] - [ 0.0029025400000000, 0.0080650800000000, -0.0031661100000000 ] - [ 0.0000000000000000, 0.0000311400000000, 0.0000000000000000 ] - [ -0.0007433800000000, 0.0001955200000000, -0.0003063700000000 ] - [ -0.0029025400000000, 0.0080650800000000, 0.0031661100000000 ] - [ 0.0007433800000000, 0.0001955200000000, 0.0003063700000000 ] - [ 0.0000000000000000, 0.0000486600000000, 0.0000000000000000 ] - [ -0.0010015400000000, 0.0000185600000000, 0.0010281300000000 ] - [ -0.0002266200000000, -0.0002605400000000, -0.0000634500000000 ] - [ 0.0002266200000000, -0.0002605400000000, 0.0000634500000000 ] - [ 0.0010015400000000, 0.0000185600000000, -0.0010281300000000 ] - [ 0.0000000000000000, 0.0266241500000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0024648000000000, 0.0000000000000000 ] - [ 0.0006701300000000, 0.0000256000000000, 0.0003400900000000 ] - [ 0.0009170300000000, -0.0006828400000000, 0.0005284000000000 ] - [ -0.0006701300000000, 0.0000256000000000, -0.0003400900000000 ] - [ -0.0009170300000000, -0.0006828400000000, -0.0005284000000000 ] - [ 0.0000000000000000, 0.0000796700000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0000645500000000, 0.0000000000000000 ] - [ 0.0062573100000000, 0.0039722600000000, 0.0051564600000000 ] - [ -0.0001997400000000, 0.0003242300000000, 0.0001471200000000 ] - [ -0.0062573100000000, 0.0039722600000000, -0.0051564600000000 ] - [ 0.0001997400000000, 0.0003242300000000, -0.0001471200000000 ] - [ -0.0002555400000000, -0.0014002700000000, 0.0003860900000000 ] - [ 0.0002555400000000, -0.0014002700000000, -0.0003860900000000 ] - [ 0.0001777000000000, 0.0030440000000000, 0.0006392000000000 ] - [ 0.0000789600000000, 0.0003936500000000, -0.0003386200000000 ] - [ -0.0012779400000000, 0.0006446100000000, -0.0062516400000000 ] - [ -0.0001798500000000, -0.0001443100000000, -0.0002036900000000 ] - [ 0.0014416800000000, 0.0005885700000000, 0.0015108400000000 ] - [ -0.0014416800000000, 0.0005885700000000, -0.0015108400000000 ] - [ 0.0000000000000000, -0.0102077800000000, 0.0000000000000000 ] - [ -0.0001777000000000, 0.0030440000000000, -0.0006392000000000 ] - [ 0.0012779400000000, 0.0006446100000000, 0.0062516400000000 ] - [ 0.0003590100000000, 0.0007366200000000, 0.0016823500000000 ] - [ -0.0003590100000000, 0.0007366200000000, -0.0016823500000000 ] - [ 0.0000000000000000, 0.0008916300000000, 0.0000000000000000 ] - [ 0.0001798500000000, -0.0001443100000000, 0.0002036900000000 ] - [ -0.0000789600000000, 0.0003936500000000, 0.0003386200000000 ] - [ 0.0010206700000000, -0.0000039700000000, 0.0000757900000000 ] - [ -0.0010206700000000, -0.0000039700000000, -0.0000757900000000 ] - [ 0.0000270800000000, 0.0005213100000000, 0.0002786400000000 ] - [ -0.0000270800000000, 0.0005213100000000, -0.0002786400000000 ] - [ 0.0006216700000000, -0.0000750000000000, 0.0001658900000000 ] - [ 0.0003541900000000, -0.0006921900000000, -0.0002240900000000 ] - [ -0.0000541500000000, -0.0002579000000000, -0.0003131600000000 ] - [ 0.0017400200000000, 0.0077838700000000, -0.0009174300000000 ] - [ -0.0002351600000000, 0.0000703400000000, 0.0000219300000000 ] - [ 0.0002351600000000, 0.0000703400000000, -0.0000219300000000 ] - [ 0.0000000000000000, 0.0008388300000000, 0.0000000000000000 ] - [ -0.0006216700000000, -0.0000750000000000, -0.0001658900000000 ] - [ 0.0000541500000000, -0.0002579000000000, 0.0003131600000000 ] - [ 0.0002262200000000, -0.0000216600000000, 0.0000828100000000 ] - [ -0.0002262200000000, -0.0000216600000000, -0.0000828100000000 ] - [ 0.0000000000000000, -0.0007635300000000, 0.0000000000000000 ] - [ -0.0017400200000000, 0.0077838700000000, 0.0009174300000000 ] - [ -0.0003541900000000, -0.0006921900000000, 0.0002240900000000 ] - [ 0.0016657800000000, -0.0024414800000000, 0.0013494800000000 ] - [ -0.0016657800000000, -0.0024414800000000, -0.0013494800000000 ]- atom: 18 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0002453600000000, -0.0021342100000000, 0.0009302700000000 ] - [ -0.0040079300000000, 0.0011172200000000, -0.0005803700000000 ] - [ 0.0040079300000000, 0.0011172200000000, 0.0005803700000000 ] - [ -0.0002453600000000, -0.0021342100000000, -0.0009302700000000 ] - [ -0.0002115100000000, -0.0004738500000000, 0.0000224500000000 ] - [ 0.0002115100000000, -0.0004738500000000, -0.0000224500000000 ] - [ -0.0005405700000000, 0.0021574700000000, 0.0005736600000000 ] - [ 0.0005405700000000, 0.0021574700000000, -0.0005736600000000 ] - [ -0.0004135100000000, -0.0001239400000000, 0.0000671400000000 ] - [ -0.0003631400000000, -0.0003492200000000, 0.0003721200000000 ] - [ 0.0003631400000000, -0.0003492200000000, -0.0003721200000000 ] - [ 0.0004135100000000, -0.0001239400000000, -0.0000671400000000 ] - [ -0.0002818500000000, -0.0003685600000000, -0.0004427800000000 ] - [ 0.0002818500000000, -0.0003685600000000, 0.0004427800000000 ] - [ -0.0003478000000000, -0.0001029100000000, 0.0000381500000000 ] - [ 0.0003478000000000, -0.0001029100000000, -0.0000381500000000 ] - [ -0.0003882300000000, 0.0005079400000000, 0.0002608600000000 ] - [ 0.0000000000000000, 0.0527692500000000, 0.0000000000000000 ] - [ 0.0010319300000000, -0.0006182600000000, -0.0014349800000000 ] - [ 0.0003882300000000, 0.0005079400000000, -0.0002608600000000 ] - [ -0.0010319300000000, -0.0006182600000000, 0.0014349800000000 ] - [ 0.0000000000000000, -0.0003594800000000, 0.0000000000000000 ] - [ -0.0004393800000000, -0.0003779100000000, 0.0003052700000000 ] - [ 0.0009399000000000, 0.0020570500000000, 0.0043720700000000 ] - [ -0.0009399000000000, 0.0020570500000000, -0.0043720700000000 ] - [ 0.0004393800000000, -0.0003779100000000, -0.0003052700000000 ] - [ -0.0037085300000000, -0.0074489800000000, 0.0037845300000000 ] - [ 0.0000000000000000, -0.0004651500000000, 0.0000000000000000 ] - [ 0.0002189100000000, 0.0006275100000000, 0.0001987700000000 ] - [ 0.0037085300000000, -0.0074489800000000, -0.0037845300000000 ] - [ -0.0002189100000000, 0.0006275100000000, -0.0001987700000000 ] - [ 0.0000000000000000, 0.0003822700000000, 0.0000000000000000 ] - [ 0.0002630800000000, -0.0007110400000000, -0.0004971100000000 ] - [ -0.0002998000000000, -0.0005792600000000, -0.0000325900000000 ] - [ 0.0002998000000000, -0.0005792600000000, 0.0000325900000000 ] - [ -0.0002630800000000, -0.0007110400000000, 0.0004971100000000 ] - [ 0.0000000000000000, -0.0254875800000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0016579900000000, 0.0000000000000000 ] - [ -0.0006826600000000, -0.0007407000000000, -0.0000297500000000 ] - [ -0.0009269300000000, 0.0013936000000000, -0.0002187900000000 ] - [ 0.0006826600000000, -0.0007407000000000, 0.0000297500000000 ] - [ 0.0009269300000000, 0.0013936000000000, 0.0002187900000000 ] - [ 0.0000000000000000, 0.0007173100000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0007347800000000, 0.0000000000000000 ] - [ -0.0063148400000000, -0.0046579000000000, -0.0048504600000000 ] - [ 0.0001816200000000, 0.0003919000000000, 0.0001634400000000 ] - [ 0.0063148400000000, -0.0046579000000000, 0.0048504600000000 ] - [ -0.0001816200000000, 0.0003919000000000, -0.0001634400000000 ] - [ -0.0004536200000000, 0.0014295000000000, 0.0004863800000000 ] - [ 0.0004536200000000, 0.0014295000000000, -0.0004863800000000 ] - [ 0.0002830500000000, -0.0025990000000000, -0.0001011400000000 ] - [ 0.0003619100000000, -0.0007181700000000, 0.0002760100000000 ] - [ 0.0019947800000000, -0.0007385700000000, 0.0053903100000000 ] - [ 0.0006200200000000, 0.0004687000000000, 0.0001412900000000 ] - [ -0.0018340500000000, -0.0002737500000000, -0.0010591100000000 ] - [ 0.0018340500000000, -0.0002737500000000, 0.0010591100000000 ] - [ 0.0000000000000000, 0.0112432100000000, 0.0000000000000000 ] - [ -0.0002830500000000, -0.0025990000000000, 0.0001011400000000 ] - [ -0.0019947800000000, -0.0007385700000000, -0.0053903100000000 ] - [ 0.0002588300000000, -0.0006804000000000, -0.0013732200000000 ] - [ -0.0002588300000000, -0.0006804000000000, 0.0013732200000000 ] - [ 0.0000000000000000, -0.0018881900000000, 0.0000000000000000 ] - [ -0.0006200200000000, 0.0004687000000000, -0.0001412900000000 ] - [ -0.0003619100000000, -0.0007181700000000, -0.0002760100000000 ] - [ -0.0014151000000000, -0.0003063600000000, 0.0003703700000000 ] - [ 0.0014151000000000, -0.0003063600000000, -0.0003703700000000 ] - [ -0.0007293200000000, -0.0004870500000000, 0.0005856900000000 ] - [ 0.0007293200000000, -0.0004870500000000, -0.0005856900000000 ] - [ -0.0000003100000000, 0.0000204600000000, 0.0001365100000000 ] - [ 0.0000878700000000, 0.0003633500000000, 0.0001596800000000 ] - [ 0.0007566300000000, 0.0002250000000000, -0.0005530000000000 ] - [ -0.0015080600000000, -0.0075764600000000, 0.0008461000000000 ] - [ -0.0001619200000000, 0.0002383500000000, 0.0004232300000000 ] - [ 0.0001619200000000, 0.0002383500000000, -0.0004232300000000 ] - [ 0.0000000000000000, 0.0001594600000000, 0.0000000000000000 ] - [ 0.0000003100000000, 0.0000204600000000, -0.0001365100000000 ] - [ -0.0007566300000000, 0.0002250000000000, 0.0005530000000000 ] - [ 0.0003913000000000, 0.0000722500000000, 0.0002198700000000 ] - [ -0.0003913000000000, 0.0000722500000000, -0.0002198700000000 ] - [ 0.0000000000000000, -0.0002395100000000, 0.0000000000000000 ] - [ 0.0015080600000000, -0.0075764600000000, -0.0008461000000000 ] - [ -0.0000878700000000, 0.0003633500000000, -0.0001596800000000 ] - [ -0.0020582100000000, 0.0021188000000000, -0.0008885100000000 ] - [ 0.0020582100000000, 0.0021188000000000, 0.0008885100000000 ]- atom: 18 displacement: [ -0.0029959570305193, 0.0000000000000000, 0.0095406625279003 ] forces: - [ -0.0000298900000000, -0.0000215200000000, 0.0003993400000000 ] - [ -0.0008145300000000, -0.0000907100000000, -0.0019712500000000 ] - [ -0.0007435000000000, 0.0008397400000000, -0.0022182500000000 ] - [ 0.0007041500000000, -0.0006542100000000, 0.0001581900000000 ] - [ -0.0000713200000000, -0.0003010400000000, 0.0007181700000000 ] - [ -0.0000286200000000, -0.0004562100000000, 0.0004743800000000 ] - [ -0.0043704600000000, -0.0001767700000000, 0.0029943700000000 ] - [ -0.0035810800000000, 0.0008419400000000, 0.0027291900000000 ] - [ -0.0004750500000000, -0.0002991100000000, 0.0002792200000000 ] - [ -0.0003096800000000, 0.0002840300000000, -0.0002615100000000 ] - [ -0.0002655700000000, 0.0004745900000000, -0.0005027500000000 ] - [ 0.0002564800000000, -0.0003718700000000, 0.0000420300000000 ] - [ 0.0005405300000000, -0.0002040500000000, 0.0010581400000000 ] - [ 0.0005899800000000, -0.0005547700000000, 0.0008175100000000 ] - [ -0.0001046000000000, 0.0003127500000000, 0.0000089700000000 ] - [ 0.0006287800000000, 0.0003584500000000, -0.0002248600000000 ] - [ -0.0004145900000000, 0.0003590100000000, 0.0000606700000000 ] - [ 0.0119095000000000, -0.0005090300000000, -0.0263627500000000 ] - [ -0.0010136000000000, 0.0010493600000000, 0.0007541800000000 ] - [ 0.0003126900000000, 0.0003258100000000, -0.0004794600000000 ] - [ -0.0004965200000000, -0.0002112900000000, 0.0008664100000000 ] - [ -0.0003368400000000, 0.0002192900000000, 0.0007765800000000 ] - [ -0.0002084000000000, -0.0003011400000000, 0.0005144900000000 ] - [ 0.0018661300000000, -0.0044468200000000, 0.0078263400000000 ] - [ 0.0024364600000000, 0.0036823100000000, 0.0080246000000000 ] - [ 0.0005222700000000, -0.0003832000000000, -0.0000289300000000 ] - [ -0.0020711400000000, -0.0042995200000000, -0.0004242300000000 ] - [ -0.0000986200000000, -0.0002172900000000, -0.0001318500000000 ] - [ -0.0000142500000000, 0.0004855400000000, -0.0001173900000000 ] - [ -0.0013393400000000, 0.0049710600000000, -0.0009227200000000 ] - [ 0.0005124600000000, 0.0003485200000000, -0.0000086500000000 ] - [ 0.0002757700000000, 0.0002169900000000, 0.0001932600000000 ] - [ -0.0013005100000000, 0.0002430400000000, 0.0019901500000000 ] - [ -0.0003089200000000, -0.0004405600000000, -0.0000043300000000 ] - [ 0.0002181700000000, -0.0003982400000000, 0.0000976900000000 ] - [ -0.0005667400000000, -0.0009397100000000, 0.0014611800000000 ] - [ 0.0083114500000000, 0.0003354200000000, -0.0136325200000000 ] - [ -0.0016964900000000, -0.0003985100000000, 0.0026907100000000 ] - [ -0.0007267600000000, -0.0007661900000000, -0.0002862000000000 ] - [ 0.0012541000000000, -0.0002402500000000, 0.0006776000000000 ] - [ -0.0007146300000000, 0.0000522900000000, -0.0006007600000000 ] - [ 0.0012643700000000, 0.0009560600000000, 0.0003702100000000 ] - [ 0.0000679600000000, 0.0003996800000000, -0.0002517900000000 ] - [ -0.0000060400000000, -0.0003995500000000, 0.0001940800000000 ] - [ 0.0111661900000000, 0.0023654900000000, -0.0072616800000000 ] - [ -0.0012384500000000, 0.0002440800000000, 0.0019328700000000 ] - [ 0.0112126500000000, -0.0030615300000000, -0.0076782600000000 ] - [ -0.0012247000000000, 0.0004717600000000, 0.0016252500000000 ] - [ 0.0012864400000000, -0.0003523500000000, -0.0006859300000000 ] - [ 0.0019934200000000, 0.0003934500000000, -0.0015476800000000 ] - [ -0.0038569300000000, -0.0018005200000000, 0.0102730500000000 ] - [ -0.0002140700000000, -0.0001162400000000, -0.0007011700000000 ] - [ -0.0063230300000000, -0.0065872800000000, -0.0041460500000000 ] - [ 0.0004968700000000, 0.0003221500000000, 0.0004429600000000 ] - [ -0.0018342600000000, 0.0005232900000000, -0.0004235700000000 ] - [ -0.0014414900000000, -0.0002130200000000, -0.0008644000000000 ] - [ -0.0021881000000000, 0.0005059000000000, 0.0043194400000000 ] - [ -0.0043663600000000, 0.0020133800000000, 0.0097940100000000 ] - [ -0.0070904900000000, 0.0065998900000000, -0.0032262200000000 ] - [ 0.0014233300000000, 0.0001514400000000, -0.0023881800000000 ] - [ 0.0008068000000000, -0.0001091800000000, -0.0026917600000000 ] - [ 0.0009642700000000, -0.0005002300000000, -0.0019880600000000 ] - [ 0.0000531700000000, 0.0000032200000000, 0.0005052800000000 ] - [ -0.0006535700000000, -0.0002106300000000, -0.0006426900000000 ] - [ 0.0008716200000000, -0.0005266500000000, 0.0000934500000000 ] - [ 0.0012673000000000, 0.0002084800000000, -0.0003580800000000 ] - [ -0.0009841500000000, -0.0001715700000000, 0.0005675900000000 ] - [ -0.0002796900000000, 0.0002060700000000, -0.0002956800000000 ] - [ 0.0001823400000000, -0.0000733400000000, 0.0003851300000000 ] - [ 0.0006010400000000, -0.0003438100000000, -0.0019263000000000 ] - [ 0.0007177300000000, 0.0001298700000000, -0.0004783300000000 ] - [ -0.0026050200000000, 0.0006013600000000, 0.0091513300000000 ] - [ 0.0002961500000000, 0.0000785000000000, -0.0002300300000000 ] - [ 0.0006932200000000, 0.0002363800000000, -0.0006730500000000 ] - [ 0.0001090200000000, 0.0005003400000000, 0.0002143500000000 ] - [ -0.0004378700000000, 0.0000195400000000, 0.0000826100000000 ] - [ 0.0000140000000000, -0.0001618500000000, 0.0003895600000000 ] - [ 0.0001490700000000, 0.0000246400000000, -0.0001030300000000 ] - [ -0.0004671100000000, 0.0000274000000000, -0.0004044200000000 ] - [ -0.0002242900000000, -0.0005006100000000, -0.0002745000000000 ] - [ -0.0030498400000000, -0.0002773000000000, 0.0092215500000000 ] - [ 0.0001598800000000, 0.0000187500000000, -0.0018688700000000 ] - [ -0.0029800800000000, 0.0000893000000000, 0.0022874300000000 ] - [ -0.0025685500000000, -0.0004028700000000, 0.0018246000000000 ]- atom: 19 displacement: [ 0.0099999877275060, 0.0000000000000000, -0.0000156668353337 ] forces: - [ -0.0010333100000000, -0.0000936300000000, -0.0009117900000000 ] - [ 0.0010709500000000, 0.0002650000000000, 0.0000444900000000 ] - [ -0.0025902800000000, 0.0015805500000000, 0.0025121200000000 ] - [ 0.0077145900000000, 0.0037299900000000, 0.0010448200000000 ] - [ 0.0010302100000000, -0.0004093200000000, 0.0011533800000000 ] - [ 0.0016087900000000, 0.0002126100000000, -0.0042699300000000 ] - [ -0.0041953000000000, 0.0017316500000000, 0.0000030200000000 ] - [ 0.0006164400000000, 0.0001750200000000, -0.0001558000000000 ] - [ 0.0001506700000000, -0.0003435500000000, 0.0005610000000000 ] - [ -0.0004432600000000, -0.0010458700000000, 0.0011665000000000 ] - [ 0.0008122200000000, 0.0003795900000000, -0.0000394800000000 ] - [ 0.0017562300000000, 0.0006800000000000, -0.0004898800000000 ] - [ 0.0000155500000000, -0.0004102100000000, -0.0004537100000000 ] - [ 0.0006126800000000, -0.0003557200000000, 0.0002067900000000 ] - [ 0.0008355400000000, 0.0003182900000000, 0.0001333700000000 ] - [ 0.0001717400000000, 0.0001068500000000, 0.0006281900000000 ] - [ 0.0009393100000000, 0.0006510400000000, 0.0005423800000000 ] - [ 0.0000702700000000, -0.0015165500000000, -0.0007704100000000 ] - [ -0.0581137800000000, 0.0026407800000000, 0.0064488200000000 ] - [ 0.0010695600000000, 0.0007827300000000, 0.0008169500000000 ] - [ 0.0007075800000000, 0.0005246100000000, -0.0001434000000000 ] - [ -0.0029543800000000, 0.0014098100000000, 0.0012991200000000 ] - [ 0.0000608300000000, -0.0002551900000000, 0.0005630800000000 ] - [ -0.0010377100000000, -0.0006878500000000, -0.0006860900000000 ] - [ 0.0040447900000000, -0.0042052500000000, 0.0007144600000000 ] - [ 0.0014313300000000, -0.0000795000000000, -0.0008743600000000 ] - [ -0.0018026500000000, 0.0022120700000000, 0.0001007500000000 ] - [ 0.0011050500000000, -0.0006993400000000, 0.0006109600000000 ] - [ 0.0005290300000000, 0.0003891700000000, -0.0000618600000000 ] - [ 0.0004671200000000, 0.0008539100000000, -0.0007763100000000 ] - [ 0.0001229400000000, 0.0005069900000000, 0.0002651800000000 ] - [ 0.0004850300000000, 0.0001827900000000, 0.0001039000000000 ] - [ -0.0010970700000000, -0.0007455600000000, -0.0002091500000000 ] - [ 0.0002650500000000, -0.0004549600000000, 0.0003019900000000 ] - [ 0.0009901900000000, -0.0012436600000000, -0.0001975900000000 ] - [ -0.0004159200000000, -0.0002508500000000, -0.0002450000000000 ] - [ 0.0048534800000000, 0.0013978100000000, -0.0068187100000000 ] - [ -0.0042470400000000, -0.0032204200000000, 0.0039680700000000 ] - [ 0.0013895300000000, 0.0002279900000000, 0.0007017500000000 ] - [ 0.0024835000000000, -0.0008548100000000, 0.0007448600000000 ] - [ 0.0123602600000000, -0.0038480300000000, 0.0042579100000000 ] - [ -0.0006354800000000, -0.0002303700000000, -0.0010024300000000 ] - [ 0.0001526000000000, 0.0011086600000000, -0.0000437300000000 ] - [ 0.0003710200000000, -0.0004290500000000, -0.0004505000000000 ] - [ -0.0013054000000000, -0.0005381700000000, -0.0001983900000000 ] - [ -0.0018697800000000, -0.0042872200000000, -0.0012039900000000 ] - [ 0.0012888500000000, -0.0004500400000000, -0.0001557100000000 ] - [ 0.0004984800000000, 0.0008435700000000, 0.0010668500000000 ] - [ -0.0003549600000000, -0.0002504000000000, 0.0005673800000000 ] - [ 0.0085314000000000, 0.0002864100000000, -0.0010611700000000 ] - [ 0.0164797800000000, -0.0059333800000000, -0.0083904200000000 ] - [ -0.0007842900000000, 0.0001205500000000, -0.0006651200000000 ] - [ 0.0014375000000000, 0.0001798700000000, -0.0001176900000000 ] - [ -0.0010025400000000, 0.0000955400000000, -0.0006503500000000 ] - [ 0.0010034900000000, 0.0002823300000000, 0.0008947100000000 ] - [ -0.0026987000000000, 0.0010909100000000, -0.0010904800000000 ] - [ -0.0006660200000000, -0.0023213200000000, 0.0028747900000000 ] - [ -0.0025207200000000, 0.0008364300000000, 0.0025107800000000 ] - [ -0.0006573400000000, 0.0007389600000000, 0.0004689400000000 ] - [ 0.0034010800000000, -0.0004485200000000, -0.0014965400000000 ] - [ 0.0085815900000000, -0.0006675900000000, 0.0011585400000000 ] - [ 0.0017607800000000, 0.0027126900000000, -0.0007653400000000 ] - [ -0.0026995100000000, 0.0018408700000000, -0.0044911300000000 ] - [ -0.0006454400000000, -0.0002199400000000, 0.0011457400000000 ] - [ 0.0118531300000000, 0.0042726600000000, 0.0000825400000000 ] - [ -0.0010942300000000, -0.0005398300000000, -0.0008017700000000 ] - [ -0.0003769900000000, -0.0000167300000000, 0.0001229200000000 ] - [ -0.0018593000000000, 0.0001255900000000, -0.0000652200000000 ] - [ -0.0006160900000000, 0.0000083100000000, 0.0001189200000000 ] - [ 0.0014086700000000, 0.0013865700000000, 0.0015736400000000 ] - [ -0.0009089600000000, -0.0001301600000000, -0.0009505100000000 ] - [ 0.0018100700000000, 0.0004073700000000, 0.0000616400000000 ] - [ -0.0011643100000000, -0.0001082300000000, -0.0005330800000000 ] - [ 0.0019172900000000, -0.0001634900000000, 0.0004781800000000 ] - [ -0.0010813100000000, -0.0001815100000000, -0.0006677600000000 ] - [ -0.0006505700000000, 0.0000809600000000, -0.0006950100000000 ] - [ -0.0053152400000000, 0.0013392700000000, 0.0012257500000000 ] - [ -0.0002062900000000, 0.0001660000000000, 0.0001380100000000 ] - [ -0.0010264000000000, 0.0001298800000000, 0.0001466500000000 ] - [ -0.0006538100000000, -0.0005284200000000, 0.0001338300000000 ] - [ -0.0008477500000000, 0.0003039200000000, 0.0001926500000000 ] - [ -0.0003308700000000, -0.0010939400000000, -0.0013233200000000 ] - [ -0.0015736100000000, -0.0002791500000000, -0.0000530700000000 ] - [ 0.0012104300000000, 0.0002211400000000, 0.0001199100000000 ]- atom: 19 displacement: [ -0.0099999877275060, 0.0000000000000000, 0.0000156668353337 ] forces: - [ 0.0003052800000000, -0.0005773200000000, 0.0011472200000000 ] - [ -0.0011182700000000, 0.0004924800000000, 0.0001958000000000 ] - [ 0.0026511300000000, -0.0008141700000000, -0.0027389900000000 ] - [ -0.0068865800000000, -0.0043320200000000, -0.0012651100000000 ] - [ -0.0010743800000000, -0.0003529500000000, -0.0009068100000000 ] - [ -0.0015786400000000, -0.0009798700000000, 0.0040638100000000 ] - [ 0.0034798200000000, -0.0010247800000000, 0.0002342600000000 ] - [ 0.0001078500000000, 0.0004971400000000, -0.0000831100000000 ] - [ -0.0008794600000000, -0.0003276800000000, -0.0003237100000000 ] - [ 0.0004085400000000, 0.0018125100000000, -0.0009249000000000 ] - [ -0.0007658600000000, 0.0003785100000000, -0.0002049800000000 ] - [ -0.0010255800000000, -0.0013526300000000, 0.0002540500000000 ] - [ -0.0000625400000000, -0.0003479000000000, 0.0006974400000000 ] - [ -0.0005702300000000, -0.0004019800000000, -0.0004477500000000 ] - [ -0.0015602200000000, 0.0003540100000000, 0.0001035200000000 ] - [ 0.0005556600000000, 0.0005651800000000, -0.0008664600000000 ] - [ -0.0016717000000000, 0.0000367500000000, -0.0000025300000000 ] - [ -0.0000729000000000, 0.0010844700000000, 0.0007714400000000 ] - [ 0.0580546300000000, -0.0007449100000000, -0.0060976600000000 ] - [ -0.0003384200000000, -0.0000972300000000, -0.0013624600000000 ] - [ -0.0001808100000000, 0.0003136200000000, 0.0002394200000000 ] - [ 0.0029333700000000, -0.0009887300000000, -0.0013429800000000 ] - [ -0.0007963000000000, -0.0004298100000000, -0.0000179100000000 ] - [ 0.0005113100000000, -0.0001495100000000, 0.0005850900000000 ] - [ -0.0034892900000000, 0.0033098300000000, -0.0006055400000000 ] - [ -0.0006956500000000, -0.0006096200000000, 0.0003283800000000 ] - [ 0.0010473300000000, -0.0015165300000000, 0.0004406000000000 ] - [ -0.0011097400000000, 0.0002682700000000, -0.0006118200000000 ] - [ -0.0010560500000000, 0.0004433200000000, -0.0000419200000000 ] - [ 0.0002736600000000, -0.0001631200000000, 0.0002452500000000 ] - [ 0.0003982900000000, 0.0003192100000000, -0.0001540000000000 ] - [ -0.0004851100000000, 0.0002514500000000, -0.0001036300000000 ] - [ 0.0003573100000000, 0.0000599100000000, 0.0007391300000000 ] - [ -0.0007959400000000, -0.0003845900000000, -0.0004062500000000 ] - [ -0.0004646200000000, 0.0004125700000000, 0.0003009500000000 ] - [ 0.0011365300000000, -0.0004414100000000, -0.0002918300000000 ] - [ -0.0048515500000000, -0.0006445800000000, 0.0067907000000000 ] - [ 0.0042749700000000, 0.0024402900000000, -0.0040013100000000 ] - [ -0.0014078300000000, -0.0009463100000000, -0.0003938900000000 ] - [ -0.0024937700000000, 0.0015662100000000, -0.0004264500000000 ] - [ -0.0124550700000000, 0.0030572500000000, -0.0045820700000000 ] - [ 0.0006517400000000, 0.0009488400000000, 0.0006961800000000 ] - [ -0.0001534700000000, -0.0003108400000000, 0.0000446700000000 ] - [ -0.0003708000000000, -0.0003674000000000, 0.0004503700000000 ] - [ 0.0012946700000000, -0.0001743500000000, 0.0005120100000000 ] - [ 0.0019331000000000, 0.0050221900000000, 0.0015077500000000 ] - [ -0.0012822400000000, -0.0002607100000000, -0.0001583400000000 ] - [ -0.0004916300000000, -0.0001282900000000, -0.0013744300000000 ] - [ -0.0003446000000000, 0.0002838600000000, 0.0003006300000000 ] - [ -0.0078402400000000, -0.0002837800000000, 0.0001879800000000 ] - [ -0.0154459900000000, 0.0055342100000000, 0.0081747500000000 ] - [ 0.0012247600000000, -0.0004437300000000, 0.0006008900000000 ] - [ -0.0007355900000000, -0.0002141700000000, -0.0007464900000000 ] - [ 0.0014457200000000, 0.0002315400000000, 0.0005935500000000 ] - [ -0.0014087400000000, 0.0000298100000000, -0.0004518700000000 ] - [ 0.0030869100000000, -0.0007689900000000, 0.0006415500000000 ] - [ 0.0006725200000000, 0.0033323900000000, -0.0028541300000000 ] - [ 0.0019086000000000, -0.0008778600000000, -0.0028298700000000 ] - [ -0.0000400200000000, -0.0007752300000000, 0.0003958100000000 ] - [ -0.0027897200000000, 0.0005057700000000, 0.0018045400000000 ] - [ -0.0090605100000000, 0.0005851800000000, -0.0012430300000000 ] - [ -0.0017649800000000, -0.0037234100000000, 0.0007673200000000 ] - [ 0.0022746000000000, -0.0015153400000000, 0.0045691300000000 ] - [ 0.0002013700000000, -0.0001040700000000, -0.0010887300000000 ] - [ -0.0132809300000000, -0.0051229600000000, 0.0002267800000000 ] - [ 0.0014976500000000, 0.0002289300000000, 0.0003590600000000 ] - [ -0.0003305800000000, 0.0000509700000000, 0.0007444600000000 ] - [ 0.0025609400000000, -0.0000896200000000, -0.0008004300000000 ] - [ 0.0012331800000000, -0.0000616700000000, 0.0001821800000000 ] - [ -0.0009916600000000, -0.0017242600000000, -0.0016224100000000 ] - [ 0.0016149000000000, 0.0000994000000000, 0.0000875800000000 ] - [ -0.0013696700000000, -0.0000822600000000, -0.0001263800000000 ] - [ 0.0007702200000000, 0.0004201900000000, 0.0009794900000000 ] - [ -0.0015502700000000, 0.0004788800000000, -0.0009315300000000 ] - [ 0.0010816500000000, 0.0011849300000000, 0.0006659400000000 ] - [ 0.0000296700000000, -0.0001363400000000, 0.0003942500000000 ] - [ 0.0046096500000000, -0.0013500000000000, -0.0003529000000000 ] - [ 0.0008227000000000, -0.0001145600000000, 0.0001646300000000 ] - [ 0.0004063900000000, -0.0000768200000000, -0.0004480400000000 ] - [ 0.0006549500000000, -0.0004752000000000, -0.0001365600000000 ] - [ 0.0004108600000000, 0.0000190500000000, -0.0001300700000000 ] - [ -0.0001028400000000, 0.0007653700000000, 0.0013787700000000 ] - [ 0.0011758600000000, -0.0000387200000000, 0.0005001000000000 ] - [ -0.0008172900000000, -0.0005362500000000, -0.0005681400000000 ]- atom: 19 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0003229800000000, -0.0008622100000000, 0.0005313100000000 ] - [ -0.0002708900000000, 0.0004664100000000, 0.0001466700000000 ] - [ 0.0009060200000000, 0.0004324100000000, 0.0030611300000000 ] - [ 0.0046972000000000, -0.0013349000000000, 0.0002203500000000 ] - [ -0.0004798100000000, -0.0008181400000000, -0.0001066400000000 ] - [ 0.0005410300000000, -0.0019233300000000, -0.0008409500000000 ] - [ 0.0012380400000000, 0.0123758500000000, 0.0001609400000000 ] - [ 0.0003279300000000, 0.0006882700000000, -0.0002993200000000 ] - [ -0.0004089800000000, -0.0002002800000000, 0.0000760500000000 ] - [ -0.0015917000000000, 0.0014806700000000, -0.0017750900000000 ] - [ 0.0000854100000000, 0.0003414000000000, -0.0000993800000000 ] - [ 0.0005483900000000, 0.0006231300000000, -0.0002539000000000 ] - [ -0.0004828200000000, 0.0001149300000000, 0.0004638800000000 ] - [ 0.0001143700000000, -0.0001403100000000, -0.0000667200000000 ] - [ -0.0002968700000000, 0.0001433100000000, 0.0000727100000000 ] - [ 0.0002369700000000, 0.0001501100000000, -0.0000951400000000 ] - [ -0.0002670600000000, 0.0004528200000000, 0.0003850400000000 ] - [ -0.0003920400000000, 0.0008247100000000, 0.0005354700000000 ] - [ 0.0014494900000000, -0.0543844400000000, -0.0100246100000000 ] - [ 0.0004880600000000, 0.0003652100000000, -0.0001542500000000 ] - [ 0.0001618000000000, -0.0000891900000000, -0.0001282700000000 ] - [ 0.0013592600000000, -0.0022938800000000, 0.0046808000000000 ] - [ -0.0004251400000000, -0.0004055700000000, 0.0002657800000000 ] - [ 0.0000028300000000, -0.0001028600000000, -0.0000767100000000 ] - [ -0.0034713500000000, 0.0012694300000000, -0.0000411000000000 ] - [ 0.0004841300000000, -0.0003739700000000, -0.0004951200000000 ] - [ 0.0019590700000000, 0.0041978700000000, -0.0025241500000000 ] - [ -0.0000281100000000, -0.0004290300000000, 0.0000606100000000 ] - [ -0.0002875000000000, 0.0005549200000000, -0.0000682200000000 ] - [ 0.0005010700000000, 0.0005479300000000, -0.0003110500000000 ] - [ 0.0001585400000000, 0.0005457700000000, 0.0000294700000000 ] - [ -0.0000686600000000, 0.0003787200000000, 0.0000005200000000 ] - [ 0.0001366500000000, 0.0005631400000000, 0.0009634800000000 ] - [ -0.0002198200000000, -0.0005041300000000, -0.0000029000000000 ] - [ -0.0005695000000000, -0.0009565000000000, -0.0001780400000000 ] - [ 0.0019260500000000, 0.0020608400000000, 0.0011322600000000 ] - [ -0.0009871800000000, -0.0053131700000000, 0.0022891100000000 ] - [ 0.0018099100000000, 0.0043841800000000, -0.0058795500000000 ] - [ -0.0002500000000000, -0.0005381900000000, 0.0001161800000000 ] - [ -0.0003365800000000, 0.0006497000000000, 0.0000228300000000 ] - [ 0.0025293000000000, -0.0042942700000000, 0.0027199000000000 ] - [ 0.0000091800000000, 0.0004141800000000, -0.0001167100000000 ] - [ -0.0000953200000000, 0.0008932000000000, -0.0001196500000000 ] - [ -0.0001390200000000, -0.0006971500000000, 0.0002047500000000 ] - [ 0.0001805500000000, -0.0002890000000000, 0.0002722300000000 ] - [ -0.0119896500000000, 0.0070690600000000, 0.0070139100000000 ] - [ 0.0003782700000000, -0.0003947500000000, -0.0005334400000000 ] - [ -0.0000083000000000, 0.0008802200000000, 0.0005749000000000 ] - [ -0.0005510700000000, 0.0000612000000000, 0.0000612200000000 ] - [ 0.0025574900000000, 0.0110331100000000, -0.0009393000000000 ] - [ -0.0044477200000000, 0.0104203600000000, 0.0053903600000000 ] - [ 0.0004207500000000, -0.0003328200000000, 0.0000958800000000 ] - [ 0.0001206800000000, -0.0004655000000000, -0.0006246700000000 ] - [ 0.0002237400000000, 0.0003270800000000, -0.0000495100000000 ] - [ -0.0003518800000000, 0.0003847900000000, 0.0000000800000000 ] - [ 0.0009983300000000, 0.0003417500000000, -0.0001299700000000 ] - [ -0.0014856300000000, 0.0038363300000000, 0.0013140800000000 ] - [ 0.0007025000000000, 0.0006368300000000, -0.0016938500000000 ] - [ -0.0013067700000000, -0.0020948200000000, 0.0005707200000000 ] - [ -0.0013753500000000, 0.0005241700000000, 0.0020277200000000 ] - [ -0.0017217200000000, 0.0062125100000000, -0.0007328500000000 ] - [ -0.0004330300000000, -0.0039777700000000, 0.0003554300000000 ] - [ -0.0001468200000000, 0.0023969400000000, -0.0017769200000000 ] - [ -0.0002789300000000, -0.0004601700000000, 0.0001342800000000 ] - [ 0.0025612800000000, 0.0087703300000000, -0.0000264700000000 ] - [ 0.0005034700000000, -0.0000612400000000, 0.0000031600000000 ] - [ -0.0003667800000000, -0.0000687200000000, 0.0003846700000000 ] - [ 0.0004857500000000, -0.0002264400000000, -0.0004443200000000 ] - [ 0.0005222900000000, -0.0000551900000000, 0.0003532700000000 ] - [ 0.0030337700000000, 0.0000647700000000, -0.0049135400000000 ] - [ 0.0004647400000000, 0.0001111300000000, -0.0004924700000000 ] - [ 0.0002486400000000, -0.0017034300000000, 0.0002090800000000 ] - [ -0.0004038000000000, -0.0002896300000000, -0.0000800400000000 ] - [ 0.0050824200000000, -0.0030300000000000, 0.0001776400000000 ] - [ -0.0001031600000000, 0.0001533000000000, -0.0000895800000000 ] - [ -0.0001331400000000, -0.0000839600000000, -0.0001074900000000 ] - [ -0.0027387600000000, 0.0015854300000000, 0.0005424200000000 ] - [ 0.0003633800000000, 0.0000186300000000, 0.0000697800000000 ] - [ 0.0001906400000000, 0.0001203700000000, -0.0002380900000000 ] - [ 0.0000735600000000, -0.0002428900000000, 0.0000438400000000 ] - [ -0.0003060600000000, -0.0001546500000000, 0.0002769500000000 ] - [ -0.0011184500000000, 0.0002642400000000, -0.0014193200000000 ] - [ -0.0003557400000000, -0.0001688900000000, 0.0002953600000000 ] - [ 0.0002311700000000, -0.0003702800000000, -0.0003569400000000 ]- atom: 19 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0004064500000000, 0.0001844900000000, -0.0002934600000000 ] - [ 0.0002262800000000, 0.0002912300000000, 0.0000953400000000 ] - [ -0.0008689500000000, 0.0003504100000000, -0.0033056800000000 ] - [ -0.0039604100000000, 0.0006320000000000, -0.0004555900000000 ] - [ 0.0004315900000000, 0.0000549600000000, 0.0003479400000000 ] - [ -0.0004833000000000, 0.0011662700000000, 0.0005845600000000 ] - [ -0.0020054700000000, -0.0118801100000000, 0.0000756900000000 ] - [ 0.0004069000000000, -0.0000159100000000, 0.0000638200000000 ] - [ -0.0003261300000000, -0.0004727800000000, 0.0001595400000000 ] - [ 0.0015343200000000, -0.0007216500000000, 0.0020021900000000 ] - [ -0.0000395100000000, 0.0004141100000000, -0.0001432700000000 ] - [ 0.0001814500000000, -0.0012918600000000, 0.0000174000000000 ] - [ 0.0004326100000000, -0.0008734300000000, -0.0002205100000000 ] - [ -0.0000685400000000, -0.0006195900000000, -0.0001745800000000 ] - [ -0.0004341700000000, 0.0005245100000000, 0.0001630900000000 ] - [ 0.0004896100000000, 0.0005167700000000, -0.0001397400000000 ] - [ -0.0004589400000000, 0.0002343000000000, 0.0001587100000000 ] - [ 0.0003969800000000, -0.0012582300000000, -0.0005398600000000 ] - [ -0.0019145800000000, 0.0543838000000000, 0.0096717600000000 ] - [ 0.0002449600000000, 0.0003214600000000, -0.0003878700000000 ] - [ 0.0003667300000000, 0.0009230800000000, 0.0002281500000000 ] - [ -0.0013648500000000, 0.0026921200000000, -0.0046878000000000 ] - [ -0.0003061100000000, -0.0002830100000000, 0.0002793100000000 ] - [ -0.0005293900000000, -0.0007337400000000, -0.0000242700000000 ] - [ 0.0040357100000000, -0.0020986800000000, 0.0001489000000000 ] - [ 0.0002528400000000, -0.0003163300000000, -0.0000514100000000 ] - [ -0.0026745600000000, -0.0034609500000000, 0.0030347800000000 ] - [ 0.0000290900000000, -0.0000102800000000, -0.0000603000000000 ] - [ -0.0002359600000000, 0.0002775400000000, -0.0000338900000000 ] - [ 0.0002422900000000, 0.0001379800000000, -0.0002268800000000 ] - [ 0.0003576700000000, 0.0002809900000000, 0.0000778900000000 ] - [ 0.0000686400000000, 0.0000526900000000, -0.0000013800000000 ] - [ -0.0008713300000000, -0.0012464000000000, -0.0004251600000000 ] - [ -0.0003031700000000, -0.0003390000000000, -0.0000968300000000 ] - [ 0.0010907900000000, 0.0001134000000000, 0.0002774400000000 ] - [ -0.0011931500000000, -0.0027495100000000, -0.0016618800000000 ] - [ 0.0009624000000000, 0.0060554900000000, -0.0022538300000000 ] - [ -0.0017851000000000, -0.0051522000000000, 0.0058948900000000 ] - [ 0.0002369700000000, -0.0001803200000000, 0.0001936400000000 ] - [ 0.0003216300000000, 0.0000657400000000, 0.0002863900000000 ] - [ -0.0024738500000000, 0.0035443600000000, -0.0030122900000000 ] - [ 0.0000038600000000, 0.0003005200000000, -0.0001923800000000 ] - [ 0.0000938000000000, -0.0000942000000000, 0.0001202100000000 ] - [ 0.0001389500000000, -0.0001050900000000, -0.0002046300000000 ] - [ -0.0001915700000000, -0.0004326200000000, 0.0000223900000000 ] - [ 0.0119496400000000, -0.0062594000000000, -0.0066519900000000 ] - [ -0.0003535500000000, -0.0003244500000000, 0.0002157200000000 ] - [ 0.0000196200000000, -0.0001649300000000, -0.0008795200000000 ] - [ -0.0001511800000000, -0.0000292300000000, 0.0008045800000000 ] - [ -0.0019054200000000, -0.0097233800000000, 0.0003304500000000 ] - [ 0.0052147400000000, -0.0104616700000000, -0.0052334900000000 ] - [ 0.0000202500000000, 0.0000041200000000, -0.0001550000000000 ] - [ 0.0005770800000000, 0.0004285900000000, -0.0002351000000000 ] - [ 0.0002169100000000, -0.0000026100000000, -0.0000110700000000 ] - [ -0.0000495400000000, -0.0000748600000000, 0.0004438800000000 ] - [ -0.0005955700000000, -0.0000325300000000, -0.0003137200000000 ] - [ 0.0014716700000000, -0.0028118700000000, -0.0012952300000000 ] - [ -0.0013106400000000, -0.0006867300000000, 0.0013747200000000 ] - [ 0.0005861900000000, 0.0020531400000000, 0.0002972400000000 ] - [ 0.0019893700000000, -0.0004730700000000, -0.0017161900000000 ] - [ 0.0012066800000000, -0.0062414900000000, 0.0005694800000000 ] - [ 0.0004251200000000, 0.0029525600000000, -0.0003647700000000 ] - [ -0.0003027700000000, -0.0020650900000000, 0.0018263400000000 ] - [ -0.0001645200000000, 0.0001298200000000, -0.0000732000000000 ] - [ -0.0032099100000000, -0.0091748200000000, 0.0004316800000000 ] - [ -0.0001041400000000, -0.0002540600000000, -0.0004481300000000 ] - [ -0.0003372500000000, 0.0000987800000000, 0.0004809900000000 ] - [ 0.0002178200000000, 0.0002559900000000, -0.0004207500000000 ] - [ 0.0000952300000000, -0.0000008200000000, -0.0000513500000000 ] - [ -0.0025780300000000, -0.0003881800000000, 0.0048264200000000 ] - [ 0.0002360700000000, -0.0001445500000000, -0.0003732200000000 ] - [ 0.0001916100000000, 0.0020220000000000, -0.0002482100000000 ] - [ 0.0000054100000000, 0.0005974500000000, 0.0005238900000000 ] - [ -0.0046779900000000, 0.0033254100000000, -0.0006340300000000 ] - [ 0.0001021300000000, 0.0008432100000000, 0.0000869900000000 ] - [ -0.0004856100000000, 0.0000269600000000, -0.0001947600000000 ] - [ 0.0020218700000000, -0.0016077200000000, 0.0003306300000000 ] - [ 0.0002532000000000, 0.0000313900000000, 0.0002332100000000 ] - [ -0.0008070000000000, -0.0000678900000000, -0.0000638400000000 ] - [ -0.0000722800000000, -0.0007614300000000, -0.0000449800000000 ] - [ -0.0001370800000000, 0.0004745300000000, -0.0002131800000000 ] - [ 0.0006715800000000, -0.0005898400000000, 0.0014710600000000 ] - [ -0.0000498900000000, -0.0001430400000000, 0.0001487500000000 ] - [ 0.0001696000000000, 0.0000573600000000, -0.0000848100000000 ]- atom: 19 displacement: [ -0.0029959570305193, 0.0000000000000000, 0.0095406625279003 ] forces: - [ -0.0006431600000000, -0.0004315600000000, 0.0020141500000000 ] - [ -0.0011318300000000, 0.0005835100000000, 0.0001953200000000 ] - [ 0.0030832200000000, 0.0035438000000000, 0.0041634500000000 ] - [ -0.0008945400000000, -0.0012291500000000, -0.0033956400000000 ] - [ 0.0010948900000000, -0.0002379300000000, 0.0004413200000000 ] - [ -0.0043785200000000, -0.0013416200000000, 0.0027336800000000 ] - [ 0.0007367700000000, 0.0005294000000000, -0.0031190800000000 ] - [ 0.0001844100000000, 0.0003391300000000, 0.0009566900000000 ] - [ -0.0001841000000000, -0.0003056400000000, 0.0001931500000000 ] - [ 0.0010961800000000, -0.0007286700000000, -0.0001933500000000 ] - [ -0.0003459800000000, 0.0003258200000000, 0.0001304500000000 ] - [ -0.0001295600000000, -0.0003963300000000, -0.0001791400000000 ] - [ -0.0005738900000000, -0.0001867200000000, 0.0005993800000000 ] - [ 0.0002990200000000, -0.0003998800000000, -0.0004089300000000 ] - [ -0.0006841100000000, 0.0003468300000000, 0.0000146500000000 ] - [ 0.0006935900000000, 0.0002757800000000, 0.0002412200000000 ] - [ -0.0005179200000000, 0.0003311800000000, 0.0001578900000000 ] - [ -0.0006970700000000, 0.0014936600000000, 0.0008301000000000 ] - [ 0.0224442900000000, -0.0090718700000000, -0.0515148800000000 ] - [ 0.0005962300000000, 0.0004759900000000, -0.0002122200000000 ] - [ -0.0000452800000000, 0.0005577400000000, 0.0016767500000000 ] - [ 0.0026601400000000, 0.0040961600000000, 0.0081260400000000 ] - [ -0.0002702900000000, -0.0003748900000000, 0.0003323700000000 ] - [ -0.0006364000000000, -0.0003137200000000, 0.0015930500000000 ] - [ -0.0002550700000000, 0.0006242500000000, -0.0037087400000000 ] - [ 0.0001002000000000, -0.0004075400000000, -0.0002257800000000 ] - [ -0.0002650700000000, -0.0026076900000000, -0.0008984400000000 ] - [ 0.0001234000000000, -0.0003137700000000, -0.0001051600000000 ] - [ -0.0005124200000000, 0.0004105300000000, -0.0001355100000000 ] - [ -0.0002288900000000, -0.0003221700000000, 0.0007315500000000 ] - [ 0.0004837600000000, 0.0004014300000000, 0.0001626000000000 ] - [ -0.0000497800000000, 0.0002437900000000, 0.0000466100000000 ] - [ -0.0004186100000000, -0.0002490800000000, 0.0013838800000000 ] - [ -0.0000667000000000, -0.0004463700000000, 0.0000459400000000 ] - [ -0.0001906400000000, -0.0003888400000000, -0.0001752000000000 ] - [ 0.0011481100000000, -0.0003174700000000, -0.0008539000000000 ] - [ -0.0076176600000000, -0.0001582000000000, 0.0102933000000000 ] - [ -0.0012400900000000, -0.0055900400000000, 0.0065274200000000 ] - [ 0.0002307400000000, -0.0001244000000000, 0.0005294700000000 ] - [ -0.0004575100000000, 0.0007899000000000, -0.0003714300000000 ] - [ -0.0009204200000000, 0.0018436400000000, -0.0036091800000000 ] - [ 0.0003275300000000, 0.0007909800000000, 0.0007710500000000 ] - [ 0.0000595900000000, 0.0002823200000000, -0.0001719200000000 ] - [ -0.0001154700000000, -0.0004601500000000, 0.0001772400000000 ] - [ -0.0002184800000000, -0.0004430100000000, 0.0018207900000000 ] - [ -0.0013779100000000, 0.0057476500000000, -0.0017547600000000 ] - [ -0.0003266300000000, -0.0004328200000000, -0.0010037300000000 ] - [ -0.0001034500000000, 0.0005362500000000, 0.0011790400000000 ] - [ 0.0000264500000000, 0.0000814500000000, -0.0011119500000000 ] - [ -0.0024466700000000, 0.0007208100000000, 0.0069894300000000 ] - [ -0.0114847200000000, 0.0077290500000000, 0.0171823900000000 ] - [ 0.0000194100000000, -0.0003534500000000, 0.0004138800000000 ] - [ 0.0008552200000000, 0.0000584400000000, -0.0019902300000000 ] - [ 0.0004215200000000, 0.0000278900000000, -0.0003148800000000 ] - [ -0.0004477900000000, -0.0000511100000000, -0.0012710900000000 ] - [ 0.0008621200000000, -0.0001742500000000, 0.0011943500000000 ] - [ 0.0028249200000000, 0.0040503800000000, -0.0030561200000000 ] - [ 0.0022434100000000, -0.0015977700000000, -0.0051373000000000 ] - [ -0.0006712500000000, -0.0003460500000000, 0.0019722500000000 ] - [ 0.0009628600000000, 0.0004600800000000, -0.0038186300000000 ] - [ -0.0002570200000000, -0.0009561800000000, 0.0084773200000000 ] - [ 0.0004591400000000, 0.0021985200000000, -0.0010641800000000 ] - [ -0.0020611000000000, -0.0012547200000000, 0.0018724300000000 ] - [ 0.0001134800000000, -0.0003515800000000, -0.0007574800000000 ] - [ -0.0030888500000000, -0.0016211600000000, 0.0072358900000000 ] - [ 0.0000408100000000, -0.0002916700000000, -0.0010525400000000 ] - [ -0.0004928000000000, -0.0000277700000000, 0.0000330800000000 ] - [ 0.0006892900000000, 0.0000036800000000, -0.0003076200000000 ] - [ 0.0005304700000000, -0.0000397200000000, 0.0003297100000000 ] - [ 0.0010854400000000, -0.0033906800000000, -0.0007674000000000 ] - [ 0.0001610500000000, 0.0000103000000000, -0.0006495100000000 ] - [ -0.0002597900000000, -0.0007572600000000, -0.0007785300000000 ] - [ -0.0005353900000000, 0.0000042700000000, -0.0004052700000000 ] - [ 0.0010944000000000, -0.0003288600000000, 0.0008734300000000 ] - [ 0.0000554400000000, 0.0005198800000000, 0.0001775500000000 ] - [ -0.0005680100000000, 0.0000570700000000, -0.0001217600000000 ] - [ 0.0001845700000000, -0.0000089300000000, 0.0011088800000000 ] - [ 0.0001923800000000, -0.0000171900000000, -0.0000034300000000 ] - [ 0.0000708700000000, 0.0000231000000000, -0.0001849200000000 ] - [ 0.0000939900000000, -0.0004458400000000, -0.0000816100000000 ] - [ 0.0003605200000000, -0.0000568600000000, 0.0002528300000000 ] - [ -0.0010544200000000, -0.0010006300000000, -0.0008087800000000 ] - [ 0.0003094300000000, -0.0000857600000000, 0.0007258500000000 ] - [ -0.0001539700000000, -0.0000776800000000, -0.0011875900000000 ]- atom: 19 displacement: [ 0.0029959570305193, 0.0000000000000000, -0.0095406625279003 ] forces: - [ -0.0000914900000000, -0.0002394300000000, -0.0017783500000000 ] - [ 0.0010898900000000, 0.0001740100000000, 0.0000488900000000 ] - [ -0.0030760500000000, -0.0028276400000000, -0.0044407600000000 ] - [ 0.0016054800000000, 0.0005484100000000, 0.0031775400000000 ] - [ -0.0011382700000000, -0.0005232100000000, -0.0002027300000000 ] - [ 0.0043566200000000, 0.0005661000000000, -0.0029465000000000 ] - [ -0.0014655300000000, 0.0001790600000000, 0.0033594000000000 ] - [ 0.0005551800000000, 0.0003322100000000, -0.0011921000000000 ] - [ -0.0005545500000000, -0.0003660300000000, 0.0000428000000000 ] - [ -0.0011437900000000, 0.0014903800000000, 0.0004473200000000 ] - [ 0.0003934500000000, 0.0004324700000000, -0.0003715800000000 ] - [ 0.0008676800000000, -0.0002732800000000, -0.0000598800000000 ] - [ 0.0005244500000000, -0.0005684100000000, -0.0003600300000000 ] - [ -0.0002585700000000, -0.0003586600000000, 0.0001670500000000 ] - [ -0.0000553600000000, 0.0003247100000000, 0.0002202100000000 ] - [ 0.0000346300000000, 0.0003962000000000, -0.0004770000000000 ] - [ -0.0002003300000000, 0.0003494200000000, 0.0003861400000000 ] - [ 0.0007003600000000, -0.0019272600000000, -0.0008258500000000 ] - [ -0.0241788300000000, 0.0107347200000000, 0.0518883700000000 ] - [ 0.0001310600000000, 0.0002075200000000, -0.0003246300000000 ] - [ 0.0005779600000000, 0.0002827600000000, -0.0015794900000000 ] - [ -0.0025930800000000, -0.0036028900000000, -0.0080186400000000 ] - [ -0.0004605800000000, -0.0003070400000000, 0.0002114500000000 ] - [ 0.0001103500000000, -0.0005259000000000, -0.0016899000000000 ] - [ 0.0007533200000000, -0.0014452900000000, 0.0038162700000000 ] - [ 0.0006226100000000, -0.0002731700000000, -0.0003211700000000 ] - [ -0.0004699100000000, 0.0033176500000000, 0.0014620700000000 ] - [ -0.0001235900000000, -0.0001204600000000, 0.0001071400000000 ] - [ -0.0000153400000000, 0.0004265900000000, 0.0000360900000000 ] - [ 0.0009804800000000, 0.0010218700000000, -0.0012596000000000 ] - [ 0.0000118900000000, 0.0004191500000000, -0.0000587400000000 ] - [ 0.0000486500000000, 0.0001913200000000, -0.0000481600000000 ] - [ -0.0003182600000000, -0.0004342200000000, -0.0008504100000000 ] - [ -0.0004352500000000, -0.0003862400000000, -0.0001396600000000 ] - [ 0.0007211800000000, -0.0004505100000000, 0.0002727300000000 ] - [ -0.0004283000000000, -0.0003682100000000, 0.0002986100000000 ] - [ 0.0076950800000000, 0.0008626200000000, -0.0103408300000000 ] - [ 0.0013199000000000, 0.0047487700000000, -0.0065450200000000 ] - [ -0.0002424400000000, -0.0005906200000000, -0.0002182000000000 ] - [ 0.0004436600000000, -0.0000738300000000, 0.0006809200000000 ] - [ 0.0009832800000000, -0.0025852300000000, 0.0033397500000000 ] - [ -0.0003250300000000, -0.0000800800000000, -0.0010837000000000 ] - [ -0.0000611300000000, 0.0005197400000000, 0.0001753300000000 ] - [ 0.0001156700000000, -0.0003386400000000, -0.0001783300000000 ] - [ 0.0002048600000000, -0.0002680500000000, -0.0015082800000000 ] - [ 0.0014078000000000, -0.0049917000000000, 0.0019694800000000 ] - [ 0.0003351400000000, -0.0002800600000000, 0.0007026200000000 ] - [ 0.0001216200000000, 0.0001802800000000, -0.0014940600000000 ] - [ -0.0007347500000000, -0.0000513800000000, 0.0019813100000000 ] - [ 0.0031489600000000, -0.0006822500000000, -0.0078427200000000 ] - [ 0.0130327900000000, -0.0084040400000000, -0.0177185000000000 ] - [ 0.0004239200000000, 0.0000293300000000, -0.0004748900000000 ] - [ -0.0001549900000000, -0.0000942400000000, 0.0011264500000000 ] - [ 0.0000193200000000, 0.0002974000000000, 0.0002507900000000 ] - [ 0.0000544200000000, 0.0003694000000000, 0.0017219200000000 ] - [ -0.0004616900000000, 0.0004882000000000, -0.0016413900000000 ] - [ -0.0028597300000000, -0.0030440600000000, 0.0030773900000000 ] - [ -0.0028540200000000, 0.0015695500000000, 0.0048055300000000 ] - [ -0.0000233500000000, 0.0003107600000000, -0.0011158500000000 ] - [ -0.0003776000000000, -0.0003792500000000, 0.0041215400000000 ] - [ -0.0001459900000000, 0.0008388500000000, -0.0084739800000000 ] - [ -0.0004713900000000, -0.0032137000000000, 0.0010782900000000 ] - [ 0.0016288500000000, 0.0015852000000000, -0.0018326900000000 ] - [ -0.0005549500000000, 0.0000301400000000, 0.0008274000000000 ] - [ 0.0027045600000000, 0.0013152100000000, -0.0068222900000000 ] - [ 0.0003541400000000, -0.0000217400000000, 0.0006079800000000 ] - [ -0.0002036600000000, 0.0000629900000000, 0.0008317200000000 ] - [ 0.0000111700000000, 0.0000297100000000, -0.0005539700000000 ] - [ 0.0000856600000000, -0.0000133000000000, -0.0000289300000000 ] - [ -0.0006375200000000, 0.0030084000000000, 0.0007169700000000 ] - [ 0.0005378300000000, -0.0000428600000000, -0.0002131300000000 ] - [ 0.0007054200000000, 0.0010799900000000, 0.0007091200000000 ] - [ 0.0001362800000000, 0.0003078100000000, 0.0008534200000000 ] - [ -0.0007176600000000, 0.0006415800000000, -0.0013044800000000 ] - [ -0.0000573500000000, 0.0004822700000000, -0.0001820400000000 ] - [ -0.0000511000000000, -0.0001117400000000, -0.0001820200000000 ] - [ -0.0009074900000000, -0.0000120800000000, -0.0002399500000000 ] - [ 0.0004248100000000, 0.0000691300000000, 0.0003081400000000 ] - [ -0.0006899600000000, 0.0000302100000000, -0.0001140100000000 ] - [ -0.0000915900000000, -0.0005596800000000, 0.0000823200000000 ] - [ -0.0008033400000000, 0.0003774200000000, -0.0001959700000000 ] - [ 0.0006071200000000, 0.0006753400000000, 0.0008819700000000 ] - [ -0.0007077200000000, -0.0002282900000000, -0.0002831800000000 ] - [ 0.0005540400000000, -0.0002402100000000, 0.0007411300000000 ]- atom: 37 displacement: [ 0.0099999877275060, 0.0000000000000000, -0.0000156668353337 ] forces: - [ -0.0032438800000000, -0.0002599100000000, 0.0023150900000000 ] - [ 0.0083770800000000, -0.0047141000000000, 0.0031488800000000 ] - [ 0.0082688200000000, 0.0053678900000000, 0.0028788300000000 ] - [ -0.0025472400000000, -0.0004098800000000, 0.0020616100000000 ] - [ -0.0002549400000000, -0.0004360700000000, -0.0007291500000000 ] - [ -0.0002038300000000, -0.0003222900000000, -0.0009670600000000 ] - [ 0.0012012800000000, 0.0020681400000000, -0.0012060200000000 ] - [ 0.0019241400000000, -0.0014007000000000, -0.0014494400000000 ] - [ 0.0001396800000000, -0.0005165500000000, 0.0000871100000000 ] - [ 0.0005444400000000, -0.0002539900000000, 0.0004746700000000 ] - [ 0.0005806000000000, 0.0010214000000000, 0.0002333900000000 ] - [ 0.0008780300000000, -0.0001592300000000, -0.0001471800000000 ] - [ -0.0001374700000000, -0.0004183800000000, -0.0002485900000000 ] - [ -0.0001001300000000, -0.0003422200000000, -0.0004942000000000 ] - [ 0.0000930200000000, 0.0005659000000000, 0.0006676600000000 ] - [ 0.0008231800000000, 0.0001114800000000, 0.0004274700000000 ] - [ 0.0004191000000000, 0.0002571400000000, 0.0007160400000000 ] - [ -0.0070569700000000, -0.0001831900000000, 0.0065189700000000 ] - [ 0.0045902400000000, -0.0005573700000000, -0.0065293100000000 ] - [ 0.0011457500000000, 0.0004273800000000, 0.0001703600000000 ] - [ 0.0051141700000000, 0.0013982800000000, -0.0065046600000000 ] - [ 0.0001798400000000, 0.0002149000000000, -0.0017273500000000 ] - [ -0.0000251700000000, -0.0003961800000000, 0.0001892300000000 ] - [ -0.0045169500000000, -0.0022279800000000, -0.0027491200000000 ] - [ -0.0040220400000000, 0.0013846700000000, -0.0026396700000000 ] - [ 0.0007059600000000, -0.0002883000000000, -0.0003570500000000 ] - [ 0.0000875200000000, -0.0023215200000000, 0.0004664700000000 ] - [ 0.0008272600000000, -0.0002148500000000, 0.0003310300000000 ] - [ -0.0001072600000000, 0.0003210500000000, 0.0000610700000000 ] - [ 0.0007983900000000, 0.0030374400000000, -0.0000873900000000 ] - [ 0.0004095600000000, 0.0005037300000000, 0.0001648800000000 ] - [ 0.0002174200000000, 0.0002154400000000, 0.0000606300000000 ] - [ -0.0006049500000000, -0.0004068500000000, -0.0006808000000000 ] - [ 0.0001156100000000, -0.0002772000000000, -0.0000538600000000 ] - [ 0.0006347800000000, -0.0005546200000000, 0.0000471600000000 ] - [ 0.0001280300000000, -0.0002780200000000, -0.0012257100000000 ] - [ -0.2662601600000000, 0.0032002100000000, 0.1335689100000000 ] - [ 0.0037897400000000, -0.0003904600000000, -0.0050182900000000 ] - [ 0.0022849300000000, 0.0004111100000000, -0.0000971700000000 ] - [ 0.0007171100000000, 0.0001043900000000, 0.0000818200000000 ] - [ 0.0022952500000000, -0.0011271700000000, -0.0003969200000000 ] - [ 0.0007070300000000, 0.0005931000000000, -0.0002287600000000 ] - [ 0.0001554100000000, 0.0003964900000000, -0.0000674800000000 ] - [ 0.0001742100000000, -0.0003968800000000, -0.0002587700000000 ] - [ -0.0034553100000000, 0.0000244600000000, 0.0030581500000000 ] - [ 0.0018677200000000, 0.0003595800000000, -0.0019199700000000 ] - [ -0.0034834500000000, -0.0007467300000000, 0.0027441100000000 ] - [ 0.0018739200000000, 0.0003521300000000, -0.0022364600000000 ] - [ -0.0017871300000000, -0.0018642300000000, 0.0025229500000000 ] - [ -0.0010996100000000, 0.0018908500000000, 0.0016538500000000 ] - [ 0.1006445500000000, 0.0460022100000000, -0.0670670200000000 ] - [ -0.0000764800000000, 0.0001188800000000, -0.0001907100000000 ] - [ 0.0032521800000000, 0.0025117800000000, -0.0006456100000000 ] - [ -0.0017487000000000, -0.0000719300000000, -0.0003662900000000 ] - [ 0.0012976200000000, -0.0007516800000000, -0.0006366500000000 ] - [ 0.0016876300000000, 0.0010803600000000, -0.0010945900000000 ] - [ 0.0552513800000000, -0.0002278000000000, -0.0022715700000000 ] - [ 0.1006396800000000, -0.0481048000000000, -0.0701847500000000 ] - [ 0.0025724500000000, -0.0025403400000000, 0.0002306200000000 ] - [ -0.0015787400000000, 0.0013643500000000, 0.0078667100000000 ] - [ -0.0021827600000000, -0.0013026200000000, 0.0076031600000000 ] - [ -0.0006029400000000, -0.0005075800000000, 0.0021584200000000 ] - [ -0.0021804700000000, 0.0003961200000000, -0.0003082300000000 ] - [ -0.0005152000000000, -0.0004335300000000, -0.0001178400000000 ] - [ -0.0027672500000000, -0.0001762500000000, 0.0010193400000000 ] - [ -0.0023751100000000, -0.0001299500000000, 0.0005910700000000 ] - [ -0.0007309500000000, 0.0000859500000000, 0.0001284400000000 ] - [ -0.0000316500000000, -0.0000488400000000, -0.0007369700000000 ] - [ -0.0001201800000000, -0.0000777000000000, -0.0000473200000000 ] - [ 0.0000029800000000, -0.0004341400000000, 0.0019763200000000 ] - [ -0.0013398400000000, -0.0003604400000000, -0.0000175700000000 ] - [ 0.0013137400000000, -0.0031924800000000, -0.0031446800000000 ] - [ -0.0010452500000000, 0.0001517400000000, 0.0006538600000000 ] - [ -0.0006606300000000, 0.0001638400000000, 0.0002024500000000 ] - [ -0.0007056300000000, 0.0005025300000000, -0.0002977100000000 ] - [ -0.0007407800000000, 0.0000236200000000, -0.0003477100000000 ] - [ -0.0020386900000000, 0.0003248800000000, 0.0008415700000000 ] - [ -0.0000069200000000, 0.0000426500000000, 0.0002661800000000 ] - [ -0.0006243300000000, 0.0000098500000000, -0.0000354900000000 ] - [ -0.0002731400000000, -0.0005026400000000, 0.0000784500000000 ] - [ 0.0009008300000000, 0.0035313100000000, -0.0030847800000000 ] - [ -0.0004319000000000, 0.0001103700000000, 0.0020482500000000 ] - [ 0.0008386700000000, -0.0004229000000000, -0.0006234200000000 ] - [ 0.0012131200000000, 0.0001028700000000, -0.0010758700000000 ]- atom: 37 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0011279100000000, -0.0043533400000000, -0.0086296400000000 ] - [ -0.0063745200000000, 0.0003155000000000, -0.0018489000000000 ] - [ 0.0063745200000000, 0.0003155000000000, 0.0018489000000000 ] - [ 0.0011279100000000, -0.0043533400000000, 0.0086296400000000 ] - [ -0.0006148800000000, -0.0009622500000000, 0.0001210000000000 ] - [ 0.0006148800000000, -0.0009622500000000, -0.0001210000000000 ] - [ 0.0005743600000000, 0.0038334700000000, -0.0005081800000000 ] - [ -0.0005743600000000, 0.0038334700000000, 0.0005081800000000 ] - [ -0.0005842000000000, 0.0001393400000000, 0.0001140800000000 ] - [ -0.0025561200000000, 0.0010027300000000, 0.0006570500000000 ] - [ 0.0025561200000000, 0.0010027300000000, -0.0006570500000000 ] - [ 0.0005842000000000, 0.0001393400000000, -0.0001140800000000 ] - [ -0.0000966000000000, -0.0000073100000000, -0.0004923300000000 ] - [ 0.0000966000000000, -0.0000073100000000, 0.0004923300000000 ] - [ 0.0004540400000000, -0.0004549600000000, 0.0004140600000000 ] - [ -0.0004540400000000, -0.0004549600000000, -0.0004140600000000 ] - [ -0.0004561200000000, 0.0004102200000000, 0.0002598200000000 ] - [ 0.0000000000000000, 0.0256505000000000, 0.0000000000000000 ] - [ 0.0007514900000000, -0.0052810800000000, -0.0002671400000000 ] - [ 0.0004561200000000, 0.0004102200000000, -0.0002598200000000 ] - [ -0.0007514900000000, -0.0052810800000000, 0.0002671400000000 ] - [ 0.0000000000000000, -0.0018476000000000, 0.0000000000000000 ] - [ -0.0005113100000000, -0.0004519000000000, 0.0003495900000000 ] - [ 0.0025749100000000, 0.0043590900000000, 0.0062443400000000 ] - [ -0.0025749100000000, 0.0043590900000000, -0.0062443400000000 ] - [ 0.0005113100000000, -0.0004519000000000, -0.0003495900000000 ] - [ -0.0054198800000000, 0.0111190300000000, 0.0066542300000000 ] - [ 0.0000000000000000, -0.0005365000000000, 0.0000000000000000 ] - [ 0.0004571900000000, 0.0009061100000000, 0.0000484200000000 ] - [ 0.0054198800000000, 0.0111190300000000, -0.0066542300000000 ] - [ -0.0004571900000000, 0.0009061100000000, -0.0000484200000000 ] - [ 0.0000000000000000, 0.0005566400000000, 0.0000000000000000 ] - [ 0.0000022800000000, 0.0006454900000000, -0.0008711500000000 ] - [ -0.0002258400000000, -0.0007200700000000, 0.0000280600000000 ] - [ 0.0002258400000000, -0.0007200700000000, -0.0000280600000000 ] - [ -0.0000022800000000, 0.0006454900000000, 0.0008711500000000 ] - [ 0.0000000000000000, -0.5123350600000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0039268300000000, 0.0000000000000000 ] - [ -0.0019818300000000, -0.0020342200000000, -0.0014067300000000 ] - [ -0.0009451200000000, 0.0019308400000000, -0.0002729000000000 ] - [ 0.0019818300000000, -0.0020342200000000, 0.0014067300000000 ] - [ 0.0009451200000000, 0.0019308400000000, 0.0002729000000000 ] - [ 0.0000000000000000, 0.0012338900000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0009611100000000, 0.0000000000000000 ] - [ -0.0018225500000000, 0.0059185900000000, -0.0007660900000000 ] - [ -0.0024452300000000, 0.0009475600000000, 0.0010474400000000 ] - [ 0.0018225500000000, 0.0059185900000000, 0.0007660900000000 ] - [ 0.0024452300000000, 0.0009475600000000, -0.0010474400000000 ] - [ -0.0039041800000000, 0.0003298100000000, 0.0046106700000000 ] - [ 0.0039041800000000, 0.0003298100000000, -0.0046106700000000 ] - [ 0.0458499100000000, 0.1093094600000000, -0.0695005100000000 ] - [ 0.0004544200000000, -0.0009760300000000, 0.0002048100000000 ] - [ 0.0004301300000000, -0.0075496700000000, 0.0015716600000000 ] - [ 0.0003053200000000, 0.0015555200000000, 0.0009477300000000 ] - [ -0.0030328300000000, 0.0014005600000000, -0.0016908500000000 ] - [ 0.0030328300000000, 0.0014005600000000, 0.0016908500000000 ] - [ 0.0000000000000000, 0.2718825300000000, 0.0000000000000000 ] - [ -0.0458499100000000, 0.1093094600000000, 0.0695005100000000 ] - [ -0.0004301300000000, -0.0075496700000000, -0.0015716600000000 ] - [ -0.0001470900000000, -0.0009910500000000, -0.0044721700000000 ] - [ 0.0001470900000000, -0.0009910500000000, 0.0044721700000000 ] - [ 0.0000000000000000, -0.0038750300000000, 0.0000000000000000 ] - [ -0.0003053200000000, 0.0015555200000000, -0.0009477300000000 ] - [ -0.0004544200000000, -0.0009760300000000, -0.0002048100000000 ] - [ -0.0040520500000000, 0.0004068600000000, 0.0006681300000000 ] - [ 0.0040520500000000, 0.0004068600000000, -0.0006681300000000 ] - [ -0.0008355400000000, -0.0007224900000000, 0.0005210700000000 ] - [ 0.0008355400000000, -0.0007224900000000, -0.0005210700000000 ] - [ -0.0001259800000000, -0.0001446100000000, 0.0002349200000000 ] - [ 0.0008520200000000, 0.0005960500000000, -0.0004238700000000 ] - [ 0.0014261100000000, 0.0006769500000000, -0.0003864500000000 ] - [ 0.0013855900000000, -0.0097361200000000, -0.0005047100000000 ] - [ -0.0011996600000000, -0.0006961100000000, 0.0002587500000000 ] - [ 0.0011996600000000, -0.0006961100000000, -0.0002587500000000 ] - [ 0.0000000000000000, -0.0001012000000000, 0.0000000000000000 ] - [ 0.0001259800000000, -0.0001446100000000, -0.0002349200000000 ] - [ -0.0014261100000000, 0.0006769500000000, 0.0003864500000000 ] - [ 0.0004440300000000, 0.0000777800000000, 0.0002629300000000 ] - [ -0.0004440300000000, 0.0000777800000000, -0.0002629300000000 ] - [ 0.0000000000000000, -0.0000263600000000, 0.0000000000000000 ] - [ -0.0013855900000000, -0.0097361200000000, 0.0005047100000000 ] - [ -0.0008520200000000, 0.0005960500000000, 0.0004238700000000 ] - [ -0.0017858400000000, -0.0025835200000000, -0.0009030800000000 ] - [ 0.0017858400000000, -0.0025835200000000, 0.0009030800000000 ]- atom: 37 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0003716400000000, 0.0036247400000000, 0.0088270500000000 ] - [ 0.0063368700000000, 0.0004858900000000, 0.0020897100000000 ] - [ -0.0063368700000000, 0.0004858900000000, -0.0020897100000000 ] - [ -0.0003716400000000, 0.0036247400000000, -0.0088270500000000 ] - [ 0.0005719500000000, 0.0001999400000000, 0.0001206000000000 ] - [ -0.0005719500000000, 0.0001999400000000, -0.0001206000000000 ] - [ -0.0013187900000000, -0.0031446900000000, 0.0007515200000000 ] - [ 0.0013187900000000, -0.0031446900000000, -0.0007515200000000 ] - [ -0.0001530300000000, -0.0008069700000000, 0.0001206200000000 ] - [ 0.0024999800000000, -0.0002472400000000, -0.0004153000000000 ] - [ -0.0024999800000000, -0.0002472400000000, 0.0004153000000000 ] - [ 0.0001530300000000, -0.0008069700000000, -0.0001206200000000 ] - [ 0.0000511100000000, -0.0007484800000000, 0.0007298800000000 ] - [ -0.0000511100000000, -0.0007484800000000, -0.0007298800000000 ] - [ -0.0011853000000000, 0.0011195500000000, -0.0001805900000000 ] - [ 0.0011853000000000, 0.0011195500000000, 0.0001805900000000 ] - [ -0.0002738800000000, 0.0002743900000000, 0.0002738200000000 ] - [ 0.0000000000000000, -0.0264656400000000, 0.0000000000000000 ] - [ -0.0012852600000000, 0.0060875800000000, 0.0001582400000000 ] - [ 0.0002738800000000, 0.0002743900000000, -0.0002738200000000 ] - [ 0.0012852600000000, 0.0060875800000000, -0.0001582400000000 ] - [ 0.0000000000000000, 0.0022725200000000, 0.0000000000000000 ] - [ -0.0002185100000000, -0.0002331800000000, 0.0001853200000000 ] - [ -0.0031004700000000, -0.0051684600000000, -0.0063773600000000 ] - [ 0.0031004700000000, -0.0051684600000000, 0.0063773600000000 ] - [ 0.0002185100000000, -0.0002331800000000, -0.0001853200000000 ] - [ 0.0046428700000000, -0.0102888700000000, -0.0060692300000000 ] - [ 0.0000000000000000, 0.0000960800000000, 0.0000000000000000 ] - [ -0.0009698300000000, -0.0000772500000000, -0.0001526800000000 ] - [ -0.0046428700000000, -0.0102888700000000, 0.0060692300000000 ] - [ 0.0009698300000000, -0.0000772500000000, 0.0001526800000000 ] - [ 0.0000000000000000, -0.0001175100000000, 0.0000000000000000 ] - [ -0.0007305800000000, -0.0013255900000000, 0.0013945000000000 ] - [ -0.0002964500000000, -0.0001210800000000, -0.0001245000000000 ] - [ 0.0002964500000000, -0.0001210800000000, 0.0001245000000000 ] - [ 0.0007305800000000, -0.0013255900000000, -0.0013945000000000 ] - [ 0.0000000000000000, 0.4958909200000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0047056100000000, 0.0000000000000000 ] - [ 0.0019605300000000, 0.0013152700000000, 0.0017180800000000 ] - [ 0.0009244000000000, -0.0012080300000000, 0.0005811400000000 ] - [ -0.0019605300000000, 0.0013152700000000, -0.0017180800000000 ] - [ -0.0009244000000000, -0.0012080300000000, -0.0005811400000000 ] - [ 0.0000000000000000, -0.0004261700000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0001538200000000, 0.0000000000000000 ] - [ 0.0018092000000000, -0.0066578200000000, 0.0010694600000000 ] - [ 0.0024067200000000, -0.0002272800000000, -0.0007267000000000 ] - [ -0.0018092000000000, -0.0066578200000000, -0.0010694600000000 ] - [ -0.0024067200000000, -0.0002272800000000, 0.0007267000000000 ] - [ 0.0031670300000000, -0.0002974800000000, -0.0037133600000000 ] - [ -0.0031670300000000, -0.0002974800000000, 0.0037133600000000 ] - [ -0.0474985300000000, -0.1108325300000000, 0.0731991600000000 ] - [ -0.0000086900000000, 0.0006461600000000, -0.0002651100000000 ] - [ 0.0002838000000000, 0.0075106600000000, -0.0024230800000000 ] - [ 0.0001462800000000, -0.0012266600000000, -0.0010133700000000 ] - [ 0.0026177700000000, -0.0010968400000000, 0.0021169500000000 ] - [ -0.0026177700000000, -0.0010968400000000, -0.0021169500000000 ] - [ 0.0000000000000000, -0.2505490900000000, 0.0000000000000000 ] - [ 0.0474985300000000, -0.1108325300000000, -0.0731991600000000 ] - [ -0.0002838000000000, 0.0075106600000000, 0.0024230800000000 ] - [ 0.0007553900000000, 0.0010472600000000, 0.0047451200000000 ] - [ -0.0007553900000000, 0.0010472600000000, -0.0047451200000000 ] - [ 0.0000000000000000, 0.0028569700000000, 0.0000000000000000 ] - [ -0.0001462800000000, -0.0012266600000000, 0.0010133700000000 ] - [ 0.0000086900000000, 0.0006461600000000, 0.0002651100000000 ] - [ 0.0036343500000000, -0.0007164500000000, -0.0002144800000000 ] - [ -0.0036343500000000, -0.0007164500000000, 0.0002144800000000 ] - [ 0.0001291100000000, 0.0007502000000000, 0.0003429600000000 ] - [ -0.0001291100000000, 0.0007502000000000, -0.0003429600000000 ] - [ 0.0007439200000000, 0.0000934300000000, 0.0000663700000000 ] - [ -0.0004032000000000, -0.0009134400000000, 0.0003519700000000 ] - [ -0.0007181000000000, -0.0007044900000000, -0.0004810300000000 ] - [ -0.0009269500000000, 0.0100710900000000, 0.0004587700000000 ] - [ 0.0007945600000000, 0.0010029500000000, 0.0001873700000000 ] - [ -0.0007945600000000, 0.0010029500000000, -0.0001873700000000 ] - [ 0.0000000000000000, 0.0010935500000000, 0.0000000000000000 ] - [ -0.0007439200000000, 0.0000934300000000, -0.0000663700000000 ] - [ 0.0007181000000000, -0.0007044900000000, 0.0004810300000000 ] - [ 0.0001743900000000, -0.0000274800000000, 0.0000396200000000 ] - [ -0.0001743900000000, -0.0000274800000000, -0.0000396200000000 ] - [ 0.0000000000000000, -0.0009690900000000, 0.0000000000000000 ] - [ 0.0009269500000000, 0.0100710900000000, -0.0004587700000000 ] - [ 0.0004032000000000, -0.0009134400000000, -0.0003519700000000 ] - [ 0.0013774200000000, 0.0022758100000000, 0.0013427300000000 ] - [ -0.0013774200000000, 0.0022758100000000, -0.0013427300000000 ]- atom: 37 displacement: [ -0.0029959570305193, 0.0000000000000000, 0.0095406625279003 ] forces: - [ 0.0051130000000000, -0.0075367200000000, 0.0083572100000000 ] - [ -0.0027167500000000, 0.0017582100000000, -0.0067239500000000 ] - [ -0.0026526800000000, -0.0009771200000000, -0.0069830200000000 ] - [ 0.0059431200000000, 0.0069541900000000, 0.0082061400000000 ] - [ -0.0000136300000000, -0.0002733500000000, 0.0022869200000000 ] - [ 0.0000249800000000, -0.0004846400000000, 0.0020387800000000 ] - [ -0.0028679400000000, -0.0032050200000000, 0.0029652200000000 ] - [ -0.0021336300000000, 0.0038729200000000, 0.0027330900000000 ] - [ -0.0011681400000000, -0.0000024400000000, 0.0003897800000000 ] - [ -0.0009202700000000, 0.0009997800000000, -0.0006800700000000 ] - [ -0.0008878300000000, -0.0002443400000000, -0.0009142900000000 ] - [ -0.0004380300000000, -0.0006697000000000, 0.0001518200000000 ] - [ 0.0001140000000000, -0.0002264600000000, 0.0008902500000000 ] - [ 0.0001609900000000, -0.0005320000000000, 0.0006451100000000 ] - [ -0.0002466800000000, 0.0005085400000000, -0.0005974900000000 ] - [ 0.0004894200000000, 0.0001648300000000, -0.0008283600000000 ] - [ -0.0012579400000000, 0.0004619600000000, -0.0006463300000000 ] - [ 0.0087368500000000, -0.0001947100000000, -0.0134999700000000 ] - [ -0.0082508600000000, 0.0028717400000000, 0.0102175000000000 ] - [ -0.0005260100000000, 0.0002245000000000, -0.0011891400000000 ] - [ -0.0076130800000000, -0.0020465500000000, 0.0102457600000000 ] - [ -0.0004899300000000, 0.0002228900000000, 0.0030698000000000 ] - [ -0.0004500700000000, -0.0002158400000000, 0.0008763000000000 ] - [ 0.0048160600000000, 0.0057027200000000, 0.0084605100000000 ] - [ 0.0053721900000000, -0.0066099700000000, 0.0086157900000000 ] - [ 0.0002825100000000, -0.0004702700000000, 0.0003327700000000 ] - [ -0.0003290800000000, 0.0042199900000000, 0.0002588800000000 ] - [ -0.0010829600000000, -0.0002173800000000, -0.0006130600000000 ] - [ -0.0003542000000000, 0.0003310800000000, -0.0002689700000000 ] - [ 0.0004215000000000, -0.0034976200000000, -0.0002281300000000 ] - [ 0.0001714600000000, 0.0004976500000000, -0.0001638200000000 ] - [ 0.0001967200000000, 0.0002160600000000, 0.0002579700000000 ] - [ -0.0000481100000000, -0.0003832200000000, 0.0018499600000000 ] - [ -0.0007977700000000, -0.0006549800000000, -0.0000060200000000 ] - [ -0.0002787400000000, -0.0001827100000000, 0.0000913800000000 ] - [ 0.0006935600000000, -0.0003062500000000, 0.0013116800000000 ] - [ 0.2066526600000000, 0.0085901500000000, -0.4092302400000000 ] - [ -0.0059094500000000, -0.0004186900000000, 0.0089412600000000 ] - [ -0.0042583700000000, -0.0024809300000000, -0.0010947300000000 ] - [ 0.0027221200000000, -0.0019211000000000, 0.0017528700000000 ] - [ -0.0042521800000000, 0.0017730000000000, -0.0014155000000000 ] - [ 0.0027289400000000, 0.0026274300000000, 0.0014402700000000 ] - [ -0.0001110100000000, 0.0003990100000000, -0.0001622400000000 ] - [ -0.0002978400000000, -0.0003996000000000, 0.0004821700000000 ] - [ 0.0039808400000000, -0.0000432500000000, -0.0066316700000000 ] - [ -0.0032529700000000, 0.0002594000000000, 0.0041403700000000 ] - [ 0.0039913900000000, -0.0007002600000000, -0.0069668000000000 ] - [ -0.0032193800000000, 0.0004582000000000, 0.0038287000000000 ] - [ 0.0024313300000000, 0.0032313500000000, -0.0031789100000000 ] - [ 0.0031535200000000, -0.0032247500000000, -0.0040490100000000 ] - [ -0.0985307900000000, -0.0864453400000000, 0.1724681500000000 ] - [ -0.0002877900000000, 0.0005523000000000, -0.0019329600000000 ] - [ -0.0039444300000000, -0.0049312500000000, 0.0010657300000000 ] - [ 0.0027176100000000, 0.0007925000000000, 0.0016250300000000 ] - [ -0.0063076500000000, -0.0010888400000000, -0.0017903300000000 ] - [ -0.0059331100000000, 0.0014070400000000, -0.0022267500000000 ] - [ -0.0187992600000000, -0.0003244500000000, 0.0569228900000000 ] - [ -0.0928705600000000, 0.0789028800000000, 0.1638334600000000 ] - [ -0.0046550700000000, 0.0049235900000000, 0.0019496200000000 ] - [ 0.0033970700000000, -0.0021149500000000, -0.0107221800000000 ] - [ 0.0027982800000000, 0.0022064800000000, -0.0110541200000000 ] - [ 0.0009467200000000, -0.0004896800000000, -0.0037390500000000 ] - [ 0.0022713500000000, -0.0004712300000000, 0.0016962300000000 ] - [ -0.0007263900000000, -0.0008763900000000, -0.0018716000000000 ] - [ 0.0060950600000000, -0.0006878700000000, -0.0013361300000000 ] - [ 0.0064856600000000, 0.0003845600000000, -0.0017931700000000 ] - [ -0.0015757400000000, -0.0007914800000000, 0.0009253700000000 ] - [ -0.0008758200000000, 0.0008280200000000, 0.0000629700000000 ] - [ 0.0008250400000000, 0.0000073500000000, 0.0006330700000000 ] - [ 0.0008079000000000, 0.0005159000000000, -0.0039259300000000 ] - [ 0.0031165100000000, 0.0008510500000000, -0.0008144100000000 ] - [ -0.0006094300000000, 0.0048563300000000, 0.0064818100000000 ] - [ 0.0013003100000000, 0.0000545400000000, -0.0006800200000000 ] - [ 0.0017050400000000, 0.0002528600000000, -0.0011208500000000 ] - [ 0.0009721800000000, 0.0004999600000000, 0.0007477000000000 ] - [ 0.0002037500000000, -0.0000596500000000, 0.0003310000000000 ] - [ 0.0024143700000000, -0.0008834400000000, 0.0000546400000000 ] - [ 0.0006285100000000, 0.0000166000000000, -0.0002372300000000 ] - [ 0.0000147300000000, 0.0000342900000000, -0.0005388100000000 ] - [ -0.0000924500000000, -0.0005004100000000, -0.0006014800000000 ] - [ -0.0010400100000000, -0.0044979400000000, 0.0065408100000000 ] - [ 0.0003610300000000, -0.0008455300000000, -0.0038635500000000 ] - [ -0.0012866800000000, -0.0005637800000000, 0.0023020700000000 ] - [ -0.0008975700000000, 0.0002603000000000, 0.0018414700000000 ]- atom: 39 displacement: [ 0.0099999877275060, 0.0000000000000000, -0.0000156668353337 ] forces: - [ 0.0018344200000000, -0.0006080400000000, 0.0004404200000000 ] - [ 0.0048136600000000, 0.0032701800000000, -0.0102529200000000 ] - [ 0.0022836200000000, 0.0001479300000000, 0.0006682500000000 ] - [ -0.0002061600000000, -0.0003887100000000, -0.0001131100000000 ] - [ -0.0074277100000000, -0.0027979500000000, 0.0021468600000000 ] - [ 0.0017609700000000, -0.0003862700000000, 0.0003324100000000 ] - [ 0.0007757100000000, 0.0004412500000000, 0.0008981700000000 ] - [ 0.0048300000000000, 0.0048248300000000, 0.0004960700000000 ] - [ -0.0086300500000000, -0.0061628600000000, -0.0020727100000000 ] - [ 0.0015338600000000, 0.0008196000000000, 0.0010571900000000 ] - [ -0.0023094300000000, -0.0019232800000000, -0.0023882500000000 ] - [ 0.0008143700000000, -0.0003472400000000, 0.0002877400000000 ] - [ 0.0014733300000000, -0.0004684600000000, 0.0002456400000000 ] - [ -0.0022591700000000, 0.0003951100000000, -0.0005217700000000 ] - [ -0.0008453800000000, -0.0001025000000000, -0.0017907300000000 ] - [ 0.0058482300000000, 0.0018926500000000, -0.0003066300000000 ] - [ -0.0036853800000000, 0.0006944400000000, 0.0026186300000000 ] - [ 0.0012961000000000, 0.0004532400000000, -0.0003454800000000 ] - [ 0.0011373800000000, 0.0001753100000000, 0.0006381800000000 ] - [ 0.0123631400000000, -0.0062369000000000, 0.0056795000000000 ] - [ 0.0126133000000000, -0.0020611200000000, 0.0029192200000000 ] - [ 0.0010987100000000, -0.0007025400000000, 0.0016612400000000 ] - [ 0.0043628500000000, -0.0040564200000000, -0.0074380300000000 ] - [ 0.0022263100000000, -0.0000945500000000, 0.0002580200000000 ] - [ -0.0003750500000000, -0.0004169700000000, 0.0001928400000000 ] - [ 0.0005297000000000, -0.0008898500000000, -0.0012292600000000 ] - [ 0.0004843000000000, 0.0001754200000000, 0.0003432500000000 ] - [ 0.0008371100000000, 0.0060992200000000, 0.0120568500000000 ] - [ -0.0015739500000000, 0.0006044000000000, -0.0006870400000000 ] - [ 0.0017097600000000, -0.0000036500000000, -0.0007932900000000 ] - [ 0.0015602500000000, 0.0000513500000000, 0.0001064300000000 ] - [ -0.0000322600000000, 0.0004078100000000, -0.0013074400000000 ] - [ 0.0012151400000000, -0.0001855900000000, 0.0008386700000000 ] - [ -0.0021856100000000, 0.0115787200000000, -0.0021099900000000 ] - [ 0.0007635700000000, -0.0004390300000000, 0.0000830100000000 ] - [ 0.0005709100000000, 0.0000237700000000, 0.0004699100000000 ] - [ 0.0022772500000000, -0.0015568400000000, -0.0037269300000000 ] - [ 0.0007278900000000, 0.0005252800000000, 0.0030799900000000 ] - [ -0.4168910200000000, -0.0994831600000000, 0.0253593100000000 ] - [ -0.0015790700000000, 0.0018476600000000, -0.0030336900000000 ] - [ 0.0001859800000000, -0.0023981100000000, 0.0055253600000000 ] - [ 0.0061861900000000, 0.0022182000000000, -0.0024021400000000 ] - [ -0.0034819600000000, -0.0014275500000000, 0.0031101000000000 ] - [ 0.0018699800000000, 0.0020221800000000, -0.0028100700000000 ] - [ 0.0040666700000000, 0.0009180500000000, 0.0004583000000000 ] - [ 0.0021541800000000, -0.0004700900000000, 0.0015197200000000 ] - [ -0.0013928600000000, 0.0011479300000000, -0.0037157900000000 ] - [ -0.0044900300000000, -0.0033000900000000, 0.0033122000000000 ] - [ -0.0011725800000000, 0.0044961400000000, -0.0021545600000000 ] - [ -0.0013338400000000, 0.0001682500000000, -0.0009207800000000 ] - [ -0.0015394400000000, -0.0003204100000000, 0.0016665100000000 ] - [ 0.0032322300000000, 0.0017569000000000, 0.0040694000000000 ] - [ -0.0032742700000000, -0.0005161100000000, 0.0001078600000000 ] - [ 0.0617499400000000, -0.0043674700000000, -0.0183067400000000 ] - [ -0.0048861600000000, -0.0008504100000000, -0.0003781300000000 ] - [ 0.0026369800000000, -0.0003478600000000, 0.0017256900000000 ] - [ -0.0014416500000000, 0.0018756000000000, 0.0008821200000000 ] - [ -0.0063362200000000, 0.0006099100000000, 0.0021019600000000 ] - [ -0.0003823900000000, -0.0003095200000000, 0.0011131300000000 ] - [ -0.0037835600000000, -0.0005037600000000, -0.0026791000000000 ] - [ -0.0007500700000000, 0.0004114000000000, -0.0023448300000000 ] - [ -0.0013378400000000, -0.0015544000000000, -0.0018508100000000 ] - [ -0.0040217600000000, 0.0000992300000000, -0.0067333600000000 ] - [ -0.0022550600000000, -0.0001423600000000, 0.0017769600000000 ] - [ -0.0025954900000000, 0.0010745700000000, -0.0024176900000000 ] - [ 0.1610440900000000, 0.0736804400000000, 0.0623478400000000 ] - [ -0.0081594200000000, 0.0027179500000000, 0.0030433700000000 ] - [ 0.0016611700000000, -0.0003913800000000, 0.0009957700000000 ] - [ 0.0036845400000000, 0.0024946000000000, -0.0016861200000000 ] - [ -0.0014861100000000, 0.0001329300000000, -0.0013474200000000 ] - [ 0.1809625300000000, 0.0281263200000000, -0.0707718800000000 ] - [ -0.0017319100000000, -0.0000054700000000, -0.0005456000000000 ] - [ 0.0064110400000000, -0.0044655600000000, 0.0003240000000000 ] - [ -0.0019013700000000, 0.0007215900000000, -0.0014517700000000 ] - [ 0.0025310100000000, 0.0042972700000000, -0.0038039000000000 ] - [ -0.0008204300000000, -0.0037180200000000, -0.0031136500000000 ] - [ 0.0013867500000000, 0.0000868800000000, 0.0001594000000000 ] - [ -0.0004181900000000, -0.0027661500000000, 0.0024746000000000 ] - [ -0.0013280100000000, -0.0013346400000000, 0.0018144200000000 ] - [ -0.0026478500000000, -0.0016356700000000, 0.0041061800000000 ] - [ -0.0012497100000000, -0.0019460900000000, 0.0034032000000000 ] - [ 0.0019792100000000, 0.0007326400000000, -0.0023303400000000 ] - [ 0.0020892900000000, -0.0010245400000000, 0.0020873300000000 ] - [ -0.0033552100000000, -0.0011095800000000, -0.0011212800000000 ]- atom: 39 displacement: [ -0.0099999877275060, 0.0000000000000000, 0.0000156668353337 ] forces: - [ -0.0025704500000000, -0.0000616500000000, -0.0002055700000000 ] - [ -0.0048618900000000, -0.0025626700000000, 0.0106002100000000 ] - [ -0.0022399000000000, 0.0006081100000000, -0.0009066100000000 ] - [ 0.0009440100000000, -0.0002819300000000, -0.0001215200000000 ] - [ 0.0073899800000000, 0.0020460600000000, -0.0019129200000000 ] - [ -0.0017243300000000, -0.0003714500000000, -0.0005752100000000 ] - [ -0.0015069100000000, 0.0002286000000000, -0.0006569800000000 ] - [ -0.0041213000000000, -0.0042136600000000, -0.0007520700000000 ] - [ 0.0078609600000000, 0.0054591700000000, 0.0023173900000000 ] - [ -0.0015719000000000, -0.0000567900000000, -0.0008142000000000 ] - [ 0.0023762100000000, 0.0026754200000000, 0.0021480600000000 ] - [ -0.0000878700000000, -0.0003259700000000, -0.0005252400000000 ] - [ -0.0015182900000000, -0.0002908300000000, -0.0000074900000000 ] - [ 0.0022963100000000, -0.0011545600000000, 0.0002838700000000 ] - [ 0.0001150600000000, 0.0007732800000000, 0.0020254700000000 ] - [ -0.0050972200000000, -0.0012074500000000, 0.0000475800000000 ] - [ 0.0029030700000000, 0.0000002500000000, -0.0021005700000000 ] - [ -0.0012947200000000, -0.0008967400000000, 0.0003512300000000 ] - [ -0.0016665100000000, 0.0006625900000000, -0.0007368800000000 ] - [ -0.0114749400000000, 0.0068244100000000, -0.0061614800000000 ] - [ -0.0122122100000000, 0.0029306300000000, -0.0028867200000000 ] - [ -0.0010950700000000, 0.0011398500000000, -0.0016656900000000 ] - [ -0.0050326000000000, 0.0033898600000000, 0.0079107100000000 ] - [ -0.0027683100000000, -0.0007531700000000, -0.0003633000000000 ] - [ 0.0009113400000000, -0.0004243800000000, -0.0000857600000000 ] - [ 0.0001894000000000, 0.0002036800000000, 0.0006851000000000 ] - [ -0.0012180800000000, 0.0005271200000000, 0.0001891500000000 ] - [ -0.0008673800000000, -0.0064555400000000, -0.0119595900000000 ] - [ 0.0010368100000000, 0.0002323500000000, 0.0005814100000000 ] - [ -0.0009638900000000, 0.0007027100000000, 0.0002678000000000 ] - [ -0.0010127400000000, 0.0007894300000000, -0.0000099300000000 ] - [ 0.0000302300000000, 0.0000257400000000, 0.0012983500000000 ] - [ -0.0019573500000000, -0.0005018900000000, -0.0003255700000000 ] - [ 0.0016299800000000, -0.0123846600000000, 0.0020016800000000 ] - [ -0.0002356200000000, -0.0004042900000000, 0.0000141200000000 ] - [ 0.0001620900000000, -0.0007107300000000, -0.0010074700000000 ] - [ -0.0022904200000000, 0.0023774400000000, 0.0037552600000000 ] - [ -0.0007049100000000, -0.0013397700000000, -0.0030787600000000 ] - [ 0.4121670000000000, 0.1022575200000000, -0.0122759800000000 ] - [ 0.0015820000000000, -0.0011270300000000, 0.0033205400000000 ] - [ -0.0001999300000000, 0.0016728000000000, -0.0057861000000000 ] - [ -0.0061559300000000, -0.0014965500000000, 0.0020720900000000 ] - [ 0.0034569800000000, 0.0021988400000000, -0.0030899700000000 ] - [ -0.0018710700000000, -0.0028302400000000, 0.0028098400000000 ] - [ -0.0040767600000000, -0.0016323300000000, -0.0001489400000000 ] - [ -0.0021664300000000, 0.0011860500000000, -0.0012071600000000 ] - [ 0.0014188600000000, -0.0018683600000000, 0.0034137700000000 ] - [ 0.0045656900000000, 0.0040143200000000, -0.0036190000000000 ] - [ 0.0004577900000000, -0.0044958600000000, 0.0030378600000000 ] - [ 0.0020310200000000, -0.0001353900000000, 0.0000527600000000 ] - [ 0.0021605000000000, 0.0002694900000000, -0.0013794100000000 ] - [ -0.0027868400000000, -0.0020754000000000, -0.0041079300000000 ] - [ 0.0039683300000000, 0.0004833200000000, -0.0009677400000000 ] - [ -0.0610012000000000, 0.0043166700000000, 0.0171807400000000 ] - [ 0.0044814200000000, 0.0011608300000000, 0.0008311200000000 ] - [ -0.0022496200000000, 0.0006547400000000, -0.0021687600000000 ] - [ 0.0014394900000000, -0.0008794600000000, -0.0008873800000000 ] - [ 0.0057634300000000, -0.0006635300000000, -0.0024223100000000 ] - [ -0.0003262900000000, 0.0002754800000000, -0.0002543900000000 ] - [ 0.0043914000000000, 0.0005710800000000, 0.0029970300000000 ] - [ 0.0001237400000000, -0.0003549300000000, 0.0020362600000000 ] - [ 0.0013264200000000, 0.0005509500000000, 0.0018439500000000 ] - [ 0.0035535600000000, 0.0002204800000000, 0.0067411900000000 ] - [ 0.0018084000000000, -0.0001803300000000, -0.0016957300000000 ] - [ 0.0021980700000000, -0.0013824400000000, 0.0028492900000000 ] - [ -0.1667867900000000, -0.0798352600000000, -0.0677223100000000 ] - [ 0.0074209300000000, -0.0026728600000000, -0.0021547700000000 ] - [ -0.0009651200000000, 0.0004104600000000, -0.0018307400000000 ] - [ -0.0030294000000000, -0.0025116900000000, 0.0019830400000000 ] - [ 0.0019252000000000, -0.0004585900000000, 0.0012808400000000 ] - [ -0.1697272100000000, -0.0253956400000000, 0.0630950300000000 ] - [ 0.0021717900000000, 0.0003304300000000, 0.0004797900000000 ] - [ -0.0068152700000000, 0.0047880200000000, 0.0001056000000000 ] - [ 0.0022985900000000, -0.0004089000000000, 0.0010039000000000 ] - [ -0.0024923900000000, -0.0032586300000000, 0.0037825200000000 ] - [ 0.0002095700000000, 0.0036455800000000, 0.0027961900000000 ] - [ -0.0020495700000000, -0.0001237300000000, 0.0006975400000000 ] - [ 0.0010410800000000, 0.0028294200000000, -0.0021662700000000 ] - [ 0.0007156900000000, 0.0013896300000000, -0.0021137100000000 ] - [ 0.0026599500000000, 0.0006233100000000, -0.0041146700000000 ] - [ 0.0007981000000000, 0.0022770700000000, -0.0033425500000000 ] - [ -0.0024375500000000, -0.0010566100000000, 0.0023902400000000 ] - [ -0.0024989900000000, 0.0007227300000000, -0.0016390500000000 ] - [ 0.0037507000000000, 0.0007959200000000, 0.0006758600000000 ]- atom: 39 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0003689100000000, -0.0006763800000000, 0.0001525100000000 ] - [ 0.0018661600000000, -0.0012906500000000, -0.0063586400000000 ] - [ 0.0006916400000000, 0.0002106100000000, 0.0000385100000000 ] - [ -0.0002703600000000, -0.0004412200000000, 0.0001588900000000 ] - [ -0.0025205900000000, -0.0025862000000000, 0.0028007600000000 ] - [ 0.0009434400000000, -0.0004949400000000, 0.0003640000000000 ] - [ 0.0000146400000000, 0.0004283100000000, 0.0004755900000000 ] - [ 0.0034464100000000, 0.0048721700000000, 0.0003072000000000 ] - [ -0.0076225800000000, 0.0095185900000000, 0.0056456800000000 ] - [ 0.0004749400000000, 0.0007226700000000, 0.0003033300000000 ] - [ -0.0034957700000000, 0.0077901900000000, 0.0021320300000000 ] - [ 0.0007580400000000, -0.0005724200000000, -0.0003226400000000 ] - [ 0.0005119900000000, -0.0003785900000000, 0.0002494700000000 ] - [ -0.0005529500000000, 0.0000426100000000, -0.0001043500000000 ] - [ -0.0009035900000000, 0.0015792800000000, 0.0023360400000000 ] - [ 0.0014769200000000, 0.0009775400000000, -0.0002918700000000 ] - [ 0.0005944700000000, -0.0034952800000000, -0.0018434500000000 ] - [ 0.0003655200000000, 0.0001690900000000, -0.0003140800000000 ] - [ 0.0003237100000000, 0.0002364600000000, 0.0003781900000000 ] - [ -0.0014410200000000, -0.0022034100000000, 0.0006580900000000 ] - [ 0.0037099600000000, -0.0035141200000000, -0.0011867000000000 ] - [ 0.0005378000000000, -0.0008238400000000, 0.0007953300000000 ] - [ -0.0010364000000000, -0.0007577900000000, -0.0007752400000000 ] - [ 0.0009518900000000, -0.0001250000000000, -0.0001265200000000 ] - [ -0.0003241400000000, -0.0003627200000000, 0.0003231900000000 ] - [ 0.0005393700000000, -0.0005760500000000, 0.0001963000000000 ] - [ -0.0002118100000000, 0.0003206000000000, 0.0002697500000000 ] - [ 0.0069403600000000, 0.0040735100000000, 0.0050318900000000 ] - [ -0.0004487600000000, 0.0004868900000000, -0.0001953900000000 ] - [ 0.0002097900000000, 0.0005529200000000, -0.0005065500000000 ] - [ 0.0003689900000000, 0.0003795200000000, 0.0001591600000000 ] - [ -0.0001459200000000, 0.0001873800000000, 0.0000728900000000 ] - [ -0.0000216800000000, 0.0000501600000000, 0.0002788800000000 ] - [ 0.0044257800000000, 0.0062593100000000, -0.0042550700000000 ] - [ 0.0007491600000000, 0.0000950200000000, 0.0003934100000000 ] - [ 0.0002479100000000, -0.0000752800000000, 0.0000323200000000 ] - [ 0.0007670700000000, -0.0012759800000000, -0.0019891200000000 ] - [ 0.0002514200000000, 0.0011800000000000, 0.0024711900000000 ] - [ -0.0989408600000000, -0.2581642900000000, -0.0935128000000000 ] - [ -0.0014938500000000, 0.0002644800000000, 0.0018401700000000 ] - [ 0.0020386800000000, -0.0018460800000000, 0.0005538700000000 ] - [ 0.0018592800000000, 0.0012948700000000, -0.0004558200000000 ] - [ 0.0003767000000000, 0.0066334600000000, 0.0004622100000000 ] - [ -0.0000029100000000, 0.0001705700000000, 0.0001013900000000 ] - [ 0.0012692900000000, 0.0000133300000000, 0.0001540200000000 ] - [ 0.0008248100000000, 0.0001194700000000, 0.0007752800000000 ] - [ -0.0015032900000000, 0.0005791500000000, -0.0017151400000000 ] - [ -0.0037015100000000, -0.0024525200000000, -0.0026037700000000 ] - [ 0.0003772500000000, 0.0021071800000000, 0.0008364400000000 ] - [ -0.0001609900000000, 0.0001123200000000, -0.0006790700000000 ] - [ -0.0003743100000000, -0.0000136400000000, 0.0009497000000000 ] - [ 0.0020669900000000, 0.0003925600000000, -0.0014112800000000 ] - [ -0.0007432100000000, -0.0004486500000000, -0.0001467200000000 ] - [ -0.0039335400000000, 0.0722418000000000, 0.0536459400000000 ] - [ -0.0018460900000000, -0.0002439800000000, -0.0000488100000000 ] - [ 0.0019045900000000, 0.0006292300000000, -0.0011224000000000 ] - [ -0.0000032000000000, 0.0015390500000000, 0.0005298200000000 ] - [ -0.0035726700000000, 0.0009072400000000, 0.0019402800000000 ] - [ 0.0002569600000000, -0.0002681800000000, 0.0005724100000000 ] - [ -0.0027660500000000, -0.0004155600000000, -0.0021378200000000 ] - [ -0.0005015500000000, 0.0001403800000000, -0.0017730600000000 ] - [ -0.0003380600000000, -0.0017506200000000, -0.0008247100000000 ] - [ -0.0022020500000000, 0.0005093200000000, -0.0010497000000000 ] - [ -0.0009716500000000, -0.0001628800000000, 0.0000972000000000 ] - [ -0.0019024600000000, 0.0008723600000000, -0.0006085100000000 ] - [ 0.0749470700000000, 0.1091569000000000, 0.0476077000000000 ] - [ -0.0030188000000000, 0.0015229600000000, 0.0009463600000000 ] - [ 0.0012640000000000, 0.0015995700000000, -0.0025156900000000 ] - [ -0.0006435300000000, -0.0027539300000000, 0.0000998600000000 ] - [ -0.0003567800000000, 0.0000628700000000, -0.0005193500000000 ] - [ 0.0283566700000000, 0.0599728900000000, -0.0127147600000000 ] - [ -0.0003175300000000, 0.0000669000000000, -0.0000823900000000 ] - [ 0.0029786300000000, -0.0050571000000000, 0.0031284900000000 ] - [ -0.0006708200000000, 0.0001447100000000, -0.0006890400000000 ] - [ 0.0028222800000000, -0.0023878200000000, 0.0026540400000000 ] - [ -0.0012490000000000, -0.0029926000000000, -0.0009119000000000 ] - [ -0.0026959300000000, 0.0003988100000000, -0.0009364700000000 ] - [ 0.0002770300000000, -0.0004662000000000, 0.0002042100000000 ] - [ -0.0005642400000000, -0.0002574600000000, -0.0002425200000000 ] - [ -0.0002727200000000, -0.0009567800000000, 0.0000296600000000 ] - [ -0.0002844800000000, -0.0013279200000000, 0.0016588100000000 ] - [ 0.0004630100000000, 0.0017660500000000, 0.0001206400000000 ] - [ 0.0012485500000000, -0.0013264600000000, 0.0005095700000000 ] - [ -0.0008404900000000, -0.0004087100000000, -0.0004713100000000 ]- atom: 39 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0010944500000000, 0.0000012400000000, 0.0000865900000000 ] - [ -0.0019255000000000, 0.0020925200000000, 0.0066244800000000 ] - [ -0.0006473100000000, 0.0005533200000000, -0.0002827100000000 ] - [ 0.0010017000000000, -0.0002346300000000, -0.0003991100000000 ] - [ 0.0024955600000000, 0.0018392300000000, -0.0025378300000000 ] - [ -0.0009011100000000, -0.0002645700000000, -0.0006056500000000 ] - [ -0.0007368500000000, 0.0002442100000000, -0.0002358100000000 ] - [ -0.0027799300000000, -0.0042070400000000, -0.0005588800000000 ] - [ 0.0070207800000000, -0.0103539700000000, -0.0055460100000000 ] - [ -0.0005077400000000, 0.0000287700000000, -0.0000618600000000 ] - [ 0.0034730200000000, -0.0069643000000000, -0.0023037800000000 ] - [ -0.0000309200000000, -0.0000922800000000, 0.0001025200000000 ] - [ -0.0005610400000000, -0.0003783400000000, -0.0000058600000000 ] - [ 0.0006033700000000, -0.0008023900000000, -0.0001527400000000 ] - [ 0.0001748400000000, -0.0009205800000000, -0.0020912900000000 ] - [ -0.0007686100000000, -0.0003238900000000, 0.0000478100000000 ] - [ -0.0013321800000000, 0.0042407000000000, 0.0024008400000000 ] - [ -0.0003677400000000, -0.0006018200000000, 0.0003143700000000 ] - [ -0.0008460700000000, 0.0005958600000000, -0.0004827900000000 ] - [ 0.0021728300000000, 0.0029524600000000, -0.0012178600000000 ] - [ -0.0031927900000000, 0.0043346300000000, 0.0012853900000000 ] - [ -0.0005388500000000, 0.0012496100000000, -0.0007956100000000 ] - [ 0.0003071400000000, 0.0000998400000000, 0.0013266300000000 ] - [ -0.0014726000000000, -0.0007041600000000, 0.0000165600000000 ] - [ 0.0008495100000000, -0.0004708100000000, -0.0002181300000000 ] - [ 0.0001877900000000, -0.0001107900000000, -0.0007388000000000 ] - [ -0.0005218100000000, 0.0003801900000000, 0.0002644100000000 ] - [ -0.0068937000000000, -0.0045611000000000, -0.0050003300000000 ] - [ -0.0000811400000000, 0.0003513000000000, 0.0001083100000000 ] - [ 0.0005196300000000, 0.0001327400000000, -0.0000257400000000 ] - [ 0.0001698300000000, 0.0004545700000000, -0.0000655900000000 ] - [ 0.0001476300000000, 0.0002512300000000, -0.0000737200000000 ] - [ -0.0007212100000000, -0.0007341800000000, 0.0002533400000000 ] - [ -0.0048671800000000, -0.0070583200000000, 0.0040831000000000 ] - [ -0.0002263400000000, -0.0009464500000000, -0.0002888100000000 ] - [ 0.0004831200000000, -0.0006220400000000, -0.0005696000000000 ] - [ -0.0007648900000000, 0.0020700300000000, 0.0019884500000000 ] - [ -0.0002444200000000, -0.0019557800000000, -0.0024518600000000 ] - [ 0.1029642800000000, 0.2595690600000000, 0.0950593800000000 ] - [ 0.0014736200000000, 0.0004589600000000, -0.0015381100000000 ] - [ -0.0020312800000000, 0.0011450500000000, -0.0008630700000000 ] - [ -0.0018524000000000, -0.0005796300000000, 0.0001510100000000 ] - [ -0.0003956600000000, -0.0059456300000000, -0.0004697100000000 ] - [ 0.0000039900000000, -0.0010012000000000, -0.0001052400000000 ] - [ -0.0012834400000000, -0.0007299800000000, 0.0001533400000000 ] - [ -0.0008348800000000, 0.0005932300000000, -0.0004603600000000 ] - [ 0.0015200900000000, -0.0013008700000000, 0.0014194700000000 ] - [ 0.0036235800000000, 0.0030736900000000, 0.0022249900000000 ] - [ -0.0010503900000000, -0.0020493600000000, 0.0000286700000000 ] - [ 0.0008672600000000, -0.0000749000000000, -0.0001875500000000 ] - [ 0.0009914300000000, -0.0000406200000000, -0.0006458500000000 ] - [ -0.0016291700000000, -0.0007384800000000, 0.0013570500000000 ] - [ 0.0014502800000000, 0.0004120100000000, -0.0007167400000000 ] - [ 0.0042961100000000, -0.0722912800000000, -0.0526417000000000 ] - [ 0.0014496900000000, 0.0005584400000000, 0.0004962300000000 ] - [ -0.0015115800000000, -0.0003237200000000, 0.0006836200000000 ] - [ -0.0000007100000000, -0.0005233100000000, -0.0005277200000000 ] - [ 0.0029488900000000, -0.0009616800000000, -0.0022432000000000 ] - [ -0.0009608700000000, 0.0002316500000000, 0.0002877100000000 ] - [ 0.0033575100000000, 0.0004697700000000, 0.0024251200000000 ] - [ -0.0001190800000000, -0.0000862100000000, 0.0014615900000000 ] - [ 0.0003453000000000, 0.0007285500000000, 0.0008245500000000 ] - [ 0.0017729100000000, -0.0001810900000000, 0.0011281500000000 ] - [ 0.0005305700000000, -0.0001653800000000, -0.0000416900000000 ] - [ 0.0015072800000000, -0.0011988700000000, 0.0010543500000000 ] - [ -0.0783047900000000, -0.1107381300000000, -0.0504536400000000 ] - [ 0.0023257700000000, -0.0015220000000000, -0.0000758200000000 ] - [ -0.0005523600000000, -0.0015875300000000, 0.0016542000000000 ] - [ 0.0012749600000000, 0.0027371400000000, 0.0001693000000000 ] - [ 0.0007980200000000, -0.0003842400000000, 0.0004555000000000 ] - [ -0.0279006500000000, -0.0604608900000000, 0.0120373700000000 ] - [ 0.0007581300000000, 0.0002567400000000, 0.0000253100000000 ] - [ -0.0033088400000000, 0.0053660600000000, -0.0026020900000000 ] - [ 0.0010603300000000, 0.0001735300000000, 0.0002358200000000 ] - [ -0.0028862200000000, 0.0034621800000000, -0.0027081000000000 ] - [ 0.0006010200000000, 0.0029718900000000, 0.0006242300000000 ] - [ 0.0020137600000000, -0.0004373800000000, 0.0018121300000000 ] - [ 0.0003262800000000, 0.0005357600000000, 0.0001124900000000 ] - [ -0.0000504400000000, 0.0003211500000000, -0.0000672600000000 ] - [ 0.0002865900000000, -0.0000313200000000, -0.0000470700000000 ] - [ -0.0001452600000000, 0.0016548400000000, -0.0016138200000000 ] - [ -0.0008991500000000, -0.0020519400000000, -0.0000245900000000 ] - [ -0.0016484400000000, 0.0010238300000000, -0.0000678800000000 ] - [ 0.0012355600000000, 0.0000970600000000, 0.0000271700000000 ]- atom: 39 displacement: [ -0.0029959570305193, 0.0000000000000000, 0.0095406625279003 ] forces: - [ -0.0006926100000000, -0.0004522900000000, -0.0001893600000000 ] - [ -0.0101830200000000, -0.0070805800000000, 0.0026333000000000 ] - [ -0.0005042600000000, 0.0004131000000000, -0.0010737800000000 ] - [ -0.0006718400000000, -0.0002998800000000, 0.0013198900000000 ] - [ 0.0041401900000000, 0.0012750400000000, 0.0111315100000000 ] - [ 0.0002048700000000, -0.0005656200000000, 0.0007611000000000 ] - [ -0.0003164900000000, 0.0003184800000000, 0.0003231200000000 ] - [ 0.0011395500000000, 0.0007313800000000, -0.0010062100000000 ] - [ -0.0015590900000000, 0.0088902700000000, -0.0000042200000000 ] - [ 0.0002854400000000, 0.0002030900000000, -0.0005414600000000 ] - [ -0.0022701800000000, 0.0086631900000000, -0.0026690500000000 ] - [ 0.0012178900000000, -0.0006331000000000, 0.0010704500000000 ] - [ -0.0003506400000000, -0.0002470900000000, 0.0006147600000000 ] - [ 0.0001109000000000, -0.0007462600000000, 0.0017901000000000 ] - [ -0.0010503700000000, 0.0022425200000000, 0.0083324200000000 ] - [ -0.0039243400000000, -0.0013176600000000, -0.0003940900000000 ] - [ 0.0073401800000000, -0.0074453100000000, 0.0105475800000000 ] - [ -0.0005910200000000, -0.0002457600000000, -0.0004037100000000 ] - [ -0.0001562200000000, 0.0004533400000000, 0.0002835400000000 ] - [ -0.0019733400000000, 0.0039792300000000, -0.0094424400000000 ] - [ 0.0007719900000000, -0.0015662800000000, -0.0029724200000000 ] - [ 0.0006611000000000, 0.0001386800000000, 0.0003396500000000 ] - [ -0.0068618400000000, 0.0021340300000000, 0.0087629400000000 ] - [ -0.0004428000000000, -0.0003909900000000, -0.0004952700000000 ] - [ -0.0003594200000000, -0.0003845900000000, 0.0006822000000000 ] - [ 0.0003680300000000, -0.0002633400000000, 0.0022799300000000 ] - [ -0.0008219300000000, 0.0004218300000000, 0.0002658600000000 ] - [ 0.0120939400000000, 0.0026858900000000, -0.0072061600000000 ] - [ -0.0002121800000000, 0.0004784000000000, 0.0017018000000000 ] - [ -0.0005304200000000, 0.0008585300000000, -0.0014327300000000 ] - [ -0.0001293800000000, 0.0008830700000000, -0.0008175500000000 ] - [ -0.0004635500000000, 0.0001674900000000, 0.0020227500000000 ] - [ -0.0001258600000000, -0.0002077500000000, 0.0003085100000000 ] - [ -0.0009847100000000, -0.0105029800000000, -0.0016962200000000 ] - [ 0.0012853300000000, 0.0002791800000000, 0.0017413200000000 ] - [ 0.0004555400000000, -0.0006315900000000, 0.0006249600000000 ] - [ -0.0009211200000000, -0.0005020400000000, -0.0002107000000000 ] - [ -0.0002835400000000, -0.0002723000000000, 0.0006651100000000 ] - [ 0.1382290000000000, -0.0638776200000000, -0.4144766800000000 ] - [ -0.0025582300000000, -0.0016932700000000, 0.0087776400000000 ] - [ 0.0053513700000000, -0.0004295000000000, -0.0041445500000000 ] - [ -0.0039704700000000, -0.0004864000000000, 0.0030502400000000 ] - [ 0.0037989800000000, 0.0000715300000000, -0.0068614100000000 ] - [ -0.0025399000000000, -0.0019708000000000, 0.0042067100000000 ] - [ -0.0009331500000000, -0.0007380700000000, -0.0009101400000000 ] - [ 0.0006514400000000, 0.0000145400000000, 0.0009301300000000 ] - [ -0.0029793700000000, 0.0006872300000000, -0.0000780800000000 ] - [ 0.0046661100000000, -0.0008557700000000, -0.0012956800000000 ] - [ -0.0017588600000000, -0.0005716300000000, 0.0032668600000000 ] - [ 0.0001540700000000, 0.0001243700000000, -0.0009463300000000 ] - [ 0.0006931100000000, 0.0001763800000000, 0.0001691700000000 ] - [ 0.0014295300000000, -0.0012017200000000, -0.0091353900000000 ] - [ 0.0007490100000000, -0.0000447800000000, 0.0001247600000000 ] - [ -0.0364333200000000, 0.0555685900000000, 0.2158014800000000 ] - [ 0.0018517800000000, 0.0007210800000000, 0.0002160200000000 ] - [ 0.0016375100000000, 0.0017146500000000, -0.0050714200000000 ] - [ 0.0013873300000000, 0.0008886800000000, 0.0005692200000000 ] - [ -0.0001789000000000, 0.0010386500000000, 0.0019299400000000 ] - [ 0.0015402800000000, -0.0002759800000000, -0.0004919400000000 ] - [ -0.0000682100000000, 0.0000206700000000, -0.0004174400000000 ] - [ -0.0003927700000000, -0.0000876600000000, -0.0011701800000000 ] - [ -0.0002831500000000, -0.0005064800000000, -0.0005775700000000 ] - [ -0.0009188500000000, 0.0002525500000000, 0.0065211400000000 ] - [ 0.0006514800000000, -0.0001454500000000, -0.0029925400000000 ] - [ -0.0020106400000000, 0.0001675600000000, 0.0008542100000000 ] - [ 0.0138639800000000, 0.0242595000000000, 0.0769400600000000 ] - [ 0.0060322100000000, -0.0031814900000000, -0.0012627900000000 ] - [ 0.0025703600000000, 0.0023885700000000, -0.0078256800000000 ] - [ -0.0049296500000000, -0.0056008600000000, 0.0000817900000000 ] - [ -0.0000065200000000, 0.0000045400000000, -0.0007814800000000 ] - [ -0.1099930400000000, -0.0184687900000000, 0.1082393600000000 ] - [ 0.0006423200000000, 0.0002622300000000, 0.0008994300000000 ] - [ -0.0029943300000000, 0.0008420200000000, 0.0021973200000000 ] - [ -0.0007547800000000, 0.0002095100000000, -0.0009407900000000 ] - [ -0.0044031800000000, 0.0030964300000000, 0.0053462600000000 ] - [ -0.0019464900000000, 0.0039103300000000, 0.0064039600000000 ] - [ -0.0068912800000000, 0.0001791800000000, -0.0025029400000000 ] - [ 0.0024441200000000, 0.0015336900000000, -0.0023609300000000 ] - [ 0.0005863100000000, 0.0011427500000000, -0.0039347500000000 ] - [ 0.0021478200000000, 0.0004312300000000, -0.0046142900000000 ] - [ 0.0012840200000000, -0.0003063200000000, 0.0010985000000000 ] - [ -0.0023567500000000, 0.0017014400000000, -0.0011252000000000 ] - [ 0.0019545500000000, -0.0026078400000000, -0.0018642500000000 ] - [ 0.0012904100000000, 0.0001811700000000, 0.0005108200000000 ]- atom: 39 displacement: [ 0.0029959570305193, 0.0000000000000000, -0.0095406625279003 ] forces: - [ -0.0000350400000000, -0.0002196900000000, 0.0004248400000000 ] - [ 0.0100137100000000, 0.0077500000000000, -0.0023491500000000 ] - [ 0.0005472700000000, 0.0003449800000000, 0.0008300400000000 ] - [ 0.0014007300000000, -0.0003672600000000, -0.0015544000000000 ] - [ -0.0042530800000000, -0.0020477300000000, -0.0110131500000000 ] - [ -0.0001543600000000, -0.0001930500000000, -0.0009987300000000 ] - [ -0.0004182900000000, 0.0003514900000000, -0.0000857000000000 ] - [ -0.0004037500000000, -0.0000727200000000, 0.0007645900000000 ] - [ 0.0008002000000000, -0.0095965300000000, 0.0002912500000000 ] - [ -0.0003227600000000, 0.0005572900000000, 0.0007816300000000 ] - [ 0.0023010000000000, -0.0078674100000000, 0.0023901200000000 ] - [ -0.0004741100000000, -0.0000422300000000, -0.0013023100000000 ] - [ 0.0003074400000000, -0.0005097200000000, -0.0003685400000000 ] - [ -0.0000769100000000, -0.0000151300000000, -0.0020262100000000 ] - [ 0.0003065500000000, -0.0015403400000000, -0.0080400900000000 ] - [ 0.0046602600000000, 0.0019867500000000, 0.0001493600000000 ] - [ -0.0079879300000000, 0.0080585700000000, -0.0099122100000000 ] - [ 0.0005897100000000, -0.0001918100000000, 0.0004001400000000 ] - [ -0.0003658300000000, 0.0003823100000000, -0.0003823100000000 ] - [ 0.0026863300000000, -0.0032948300000000, 0.0088996200000000 ] - [ -0.0002015000000000, 0.0024091400000000, 0.0030649200000000 ] - [ -0.0006599100000000, 0.0002966600000000, -0.0003313400000000 ] - [ 0.0062276400000000, -0.0028173700000000, -0.0082473200000000 ] - [ -0.0000822500000000, -0.0004437100000000, 0.0003884000000000 ] - [ 0.0008756500000000, -0.0004552100000000, -0.0005814500000000 ] - [ 0.0003706100000000, -0.0004230600000000, -0.0028105500000000 ] - [ 0.0000956200000000, 0.0002631500000000, 0.0002894600000000 ] - [ -0.0120503100000000, -0.0030930700000000, 0.0071772000000000 ] - [ -0.0003142600000000, 0.0003523300000000, -0.0017969800000000 ] - [ 0.0012885100000000, -0.0001736800000000, 0.0008995000000000 ] - [ 0.0006528500000000, -0.0000489000000000, 0.0009225000000000 ] - [ 0.0004709300000000, 0.0002645100000000, -0.0020152300000000 ] - [ -0.0006194700000000, -0.0004801800000000, 0.0002195500000000 ] - [ 0.0004578200000000, 0.0097034000000000, 0.0016073400000000 ] - [ -0.0007580400000000, -0.0011167400000000, -0.0016444700000000 ] - [ 0.0002713900000000, -0.0000519300000000, -0.0011706300000000 ] - [ 0.0009217000000000, 0.0012992700000000, 0.0002049400000000 ] - [ 0.0002814400000000, -0.0005276900000000, -0.0006376900000000 ] - [ -0.1447996800000000, 0.0556273000000000, 0.4024837500000000 ] - [ 0.0025312200000000, 0.0024196700000000, -0.0084716200000000 ] - [ -0.0053117000000000, -0.0002966600000000, 0.0038342600000000 ] - [ 0.0039849700000000, 0.0012038100000000, -0.0033490300000000 ] - [ -0.0037956400000000, 0.0007358700000000, 0.0068544200000000 ] - [ 0.0025353100000000, 0.0011747400000000, -0.0041998500000000 ] - [ 0.0009290300000000, 0.0000256400000000, 0.0012125500000000 ] - [ -0.0006589700000000, 0.0006965500000000, -0.0006098500000000 ] - [ 0.0029813300000000, -0.0013974900000000, -0.0002426600000000 ] - [ -0.0046547800000000, 0.0015567600000000, 0.0010350000000000 ] - [ 0.0010456600000000, 0.0006239300000000, -0.0024121900000000 ] - [ 0.0005467000000000, -0.0000911500000000, 0.0000748800000000 ] - [ -0.0000765300000000, -0.0002302400000000, 0.0001368800000000 ] - [ -0.0009879700000000, 0.0008972600000000, 0.0090865800000000 ] - [ -0.0000604800000000, 0.0000121000000000, -0.0009831200000000 ] - [ 0.0355486100000000, -0.0495442800000000, -0.2010412600000000 ] - [ -0.0022548000000000, -0.0004100300000000, 0.0002285800000000 ] - [ -0.0012250100000000, -0.0014049000000000, 0.0046202900000000 ] - [ -0.0013908900000000, 0.0001205400000000, -0.0005600600000000 ] - [ -0.0004441700000000, -0.0010889800000000, -0.0022150700000000 ] - [ -0.0022385200000000, 0.0002428700000000, 0.0013573900000000 ] - [ 0.0006629200000000, 0.0000331600000000, 0.0006987700000000 ] - [ -0.0002147800000000, 0.0001464200000000, 0.0008544200000000 ] - [ 0.0002803300000000, -0.0005002400000000, 0.0005609300000000 ] - [ 0.0004584100000000, 0.0000764600000000, -0.0064542800000000 ] - [ -0.0011008000000000, -0.0001776900000000, 0.0030432600000000 ] - [ 0.0015979400000000, -0.0004739700000000, -0.0004134800000000 ] - [ -0.0132115200000000, -0.0243255500000000, -0.0766369200000000 ] - [ -0.0067324700000000, 0.0031967700000000, 0.0021235400000000 ] - [ -0.0018680700000000, -0.0023476000000000, 0.0069362200000000 ] - [ 0.0055418000000000, 0.0055283700000000, 0.0002142500000000 ] - [ 0.0004403200000000, -0.0003283600000000, 0.0007058200000000 ] - [ 0.1183752200000000, 0.0201281100000000, -0.1123946000000000 ] - [ -0.0002025900000000, 0.0000607600000000, -0.0009579600000000 ] - [ 0.0026102800000000, -0.0005342800000000, -0.0017688400000000 ] - [ 0.0011402900000000, 0.0001046400000000, 0.0004880300000000 ] - [ 0.0044057100000000, -0.0020888200000000, -0.0053157500000000 ] - [ 0.0013244400000000, -0.0039693100000000, -0.0066966600000000 ] - [ 0.0061622000000000, -0.0002149600000000, 0.0033502700000000 ] - [ -0.0018255500000000, -0.0014790300000000, 0.0026533600000000 ] - [ -0.0012038000000000, -0.0010875700000000, 0.0036277800000000 ] - [ -0.0021516700000000, -0.0014420300000000, 0.0045951900000000 ] - [ -0.0017245100000000, 0.0006299200000000, -0.0010155800000000 ] - [ 0.0019262200000000, -0.0020362400000000, 0.0011671800000000 ] - [ -0.0023430800000000, 0.0022933900000000, 0.0023159500000000 ] - [ -0.0009004500000000, -0.0004955700000000, -0.0009577200000000 ]- atom: 49 displacement: [ 0.0099999877275060, 0.0000000000000000, -0.0000156668353337 ] forces: - [ -0.0067012600000000, -0.0036347300000000, 0.0003319300000000 ] - [ 0.0017719600000000, 0.0002314200000000, 0.0001855200000000 ] - [ -0.0011690600000000, 0.0006287300000000, 0.0000499900000000 ] - [ 0.0013109400000000, 0.0005677200000000, 0.0033129300000000 ] - [ 0.0003008400000000, 0.0017111800000000, 0.0010245300000000 ] - [ -0.0009066100000000, -0.0011090600000000, -0.0010733200000000 ] - [ -0.0002403600000000, 0.0004888200000000, 0.0004797400000000 ] - [ 0.0072296500000000, 0.0003895200000000, -0.0001907900000000 ] - [ -0.0030890100000000, -0.0028947800000000, -0.0003687200000000 ] - [ -0.0014684200000000, 0.0002568300000000, 0.0000378800000000 ] - [ 0.0020294200000000, 0.0005530000000000, -0.0041710000000000 ] - [ -0.0006273400000000, -0.0003228100000000, -0.0007333400000000 ] - [ -0.0021784800000000, -0.0000070200000000, -0.0010421900000000 ] - [ -0.0019364300000000, -0.0017164900000000, 0.0033099600000000 ] - [ -0.0005236900000000, 0.0003804800000000, -0.0000588300000000 ] - [ -0.0015872400000000, 0.0003913000000000, -0.0004054700000000 ] - [ -0.0008922800000000, 0.0002833600000000, -0.0003755200000000 ] - [ 0.0006867900000000, -0.0001177100000000, 0.0019359400000000 ] - [ -0.0002637100000000, 0.0002191500000000, 0.0003497300000000 ] - [ -0.0009965200000000, 0.0003075200000000, -0.0006112900000000 ] - [ 0.0084383700000000, -0.0017891700000000, -0.0003327000000000 ] - [ 0.0064264100000000, -0.0014221500000000, -0.0050266600000000 ] - [ -0.0016652200000000, -0.0000828800000000, 0.0003585600000000 ] - [ -0.0005726600000000, 0.0005344900000000, -0.0004918100000000 ] - [ 0.0013492300000000, -0.0006431600000000, 0.0009267400000000 ] - [ -0.0005320800000000, -0.0002226400000000, -0.0005167700000000 ] - [ -0.0000960700000000, 0.0008899900000000, 0.0018123300000000 ] - [ -0.0010931600000000, 0.0001644000000000, -0.0010077200000000 ] - [ -0.0002825400000000, 0.0004017500000000, -0.0002097200000000 ] - [ 0.0111926500000000, -0.0011775500000000, -0.0037377600000000 ] - [ -0.0019512800000000, 0.0002830900000000, -0.0002887700000000 ] - [ -0.0012364400000000, -0.0001902300000000, -0.0000019400000000 ] - [ 0.0058790000000000, 0.0004671700000000, -0.0022351100000000 ] - [ -0.0052345900000000, 0.0019724400000000, -0.0010394500000000 ] - [ -0.0009972700000000, -0.0003030500000000, -0.0005416500000000 ] - [ 0.0043607400000000, -0.0023965400000000, 0.0013456200000000 ] - [ -0.0014471000000000, -0.0031384800000000, 0.0024787800000000 ] - [ 0.0029142600000000, -0.0003240500000000, -0.0035989000000000 ] - [ -0.0008042500000000, 0.0003601400000000, -0.0015797300000000 ] - [ -0.0000260000000000, -0.0002543400000000, 0.0021369300000000 ] - [ -0.0016818200000000, 0.0001568500000000, -0.0008882700000000 ] - [ -0.0036224000000000, -0.0007401500000000, -0.0008649400000000 ] - [ -0.0003813000000000, -0.0000817800000000, -0.0014115300000000 ] - [ -0.0016864500000000, 0.0006731500000000, 0.0023785700000000 ] - [ -0.0077895900000000, -0.0030295200000000, 0.0043945900000000 ] - [ 0.0017011800000000, 0.0027081800000000, -0.0061434200000000 ] - [ 0.0013178400000000, -0.0012781200000000, 0.0026146600000000 ] - [ 0.1805223000000000, 0.0298795500000000, -0.0684144400000000 ] - [ -0.2791919700000000, -0.0447161700000000, 0.1195502200000000 ] - [ -0.0023266000000000, -0.0002799000000000, -0.0000079800000000 ] - [ 0.0009677600000000, 0.0015977200000000, -0.0020512400000000 ] - [ 0.0013905000000000, 0.0010278900000000, -0.0019226600000000 ] - [ 0.0129653300000000, -0.0079829800000000, -0.0046014400000000 ] - [ 0.0003602200000000, -0.0006176100000000, 0.0018401500000000 ] - [ 0.0028858000000000, 0.0011283600000000, 0.0012100700000000 ] - [ -0.0007487600000000, -0.0001168500000000, -0.0017477400000000 ] - [ 0.0017800900000000, 0.0023073300000000, -0.0061907800000000 ] - [ -0.0013501700000000, 0.0027665600000000, -0.0021896400000000 ] - [ -0.0019228300000000, 0.0007602000000000, -0.0018469700000000 ] - [ -0.0018176500000000, 0.0037330400000000, 0.0036488100000000 ] - [ -0.0033821100000000, -0.0017131300000000, 0.0006581700000000 ] - [ -0.0037685000000000, -0.0010002200000000, 0.0026624700000000 ] - [ 0.0012275600000000, 0.0000786200000000, 0.0007248400000000 ] - [ 0.0014811600000000, -0.0000797600000000, 0.0008902900000000 ] - [ 0.0011424000000000, -0.0005492600000000, 0.0009111300000000 ] - [ -0.0013216100000000, -0.0006013500000000, 0.0008846300000000 ] - [ 0.0027536300000000, 0.0003231700000000, 0.0001786600000000 ] - [ 0.0011306500000000, 0.0001004300000000, -0.0008068600000000 ] - [ 0.0010501500000000, -0.0001001900000000, 0.0013466200000000 ] - [ 0.0036282300000000, -0.0000510500000000, 0.0102190600000000 ] - [ 0.0019018500000000, -0.0015414500000000, 0.0004498200000000 ] - [ 0.0022292200000000, 0.0000874100000000, -0.0035121100000000 ] - [ 0.0529507500000000, 0.0299564800000000, -0.0050900600000000 ] - [ 0.0019486100000000, -0.0013222400000000, 0.0024510200000000 ] - [ 0.0011577900000000, 0.0009160400000000, 0.0010839600000000 ] - [ 0.0026871800000000, 0.0001636100000000, 0.0015949000000000 ] - [ 0.0012522900000000, -0.0000334800000000, 0.0008559900000000 ] - [ 0.0047758100000000, -0.0006298100000000, -0.0011701900000000 ] - [ 0.0013833200000000, 0.0002665200000000, -0.0009784100000000 ] - [ 0.0014778700000000, -0.0013360500000000, -0.0003136100000000 ] - [ -0.0033739900000000, -0.0001864000000000, -0.0025664900000000 ] - [ 0.0071214600000000, -0.0022624100000000, -0.0367533300000000 ] - [ -0.0013179900000000, 0.0008301800000000, -0.0016634700000000 ] - [ 0.0051215900000000, 0.0010529500000000, 0.0001490100000000 ]- atom: 49 displacement: [ -0.0099999877275060, 0.0000000000000000, 0.0000156668353337 ] forces: - [ 0.0058928700000000, 0.0029468500000000, -0.0000924900000000 ] - [ -0.0018065400000000, 0.0005273700000000, 0.0000620500000000 ] - [ 0.0012081700000000, 0.0001293100000000, -0.0002946300000000 ] - [ -0.0005889700000000, -0.0012382400000000, -0.0035520300000000 ] - [ -0.0003316100000000, -0.0024759500000000, -0.0007820400000000 ] - [ 0.0009452000000000, 0.0003544900000000, 0.0008330800000000 ] - [ -0.0004895900000000, 0.0001799800000000, -0.0002459400000000 ] - [ -0.0064740600000000, 0.0003237400000000, -0.0000498200000000 ] - [ 0.0023547900000000, 0.0022144400000000, 0.0006030300000000 ] - [ 0.0014274900000000, 0.0005034200000000, 0.0002006600000000 ] - [ -0.0019244000000000, 0.0002192000000000, 0.0039590900000000 ] - [ 0.0013520400000000, -0.0003488400000000, 0.0004953400000000 ] - [ 0.0021337500000000, -0.0007539500000000, 0.0012881700000000 ] - [ 0.0019741200000000, 0.0009597400000000, -0.0035279000000000 ] - [ -0.0001956000000000, 0.0002895900000000, 0.0003020700000000 ] - [ 0.0023133800000000, 0.0002819200000000, 0.0001669200000000 ] - [ 0.0001706900000000, 0.0003995700000000, 0.0009206200000000 ] - [ -0.0006978100000000, -0.0003179100000000, -0.0019371900000000 ] - [ -0.0002565800000000, 0.0006177000000000, -0.0004508200000000 ] - [ 0.0017296500000000, 0.0003728300000000, 0.0000701600000000 ] - [ -0.0079363800000000, 0.0026761700000000, 0.0004174100000000 ] - [ -0.0064500600000000, 0.0018334600000000, 0.0049744500000000 ] - [ 0.0009414300000000, -0.0005969700000000, 0.0001844000000000 ] - [ 0.0000402800000000, -0.0013659700000000, 0.0003898200000000 ] - [ -0.0008273400000000, -0.0001908300000000, -0.0008247600000000 ] - [ 0.0012601600000000, -0.0004612600000000, -0.0000220000000000 ] - [ -0.0006367500000000, -0.0002064900000000, -0.0012619200000000 ] - [ 0.0010954600000000, -0.0005940700000000, 0.0010042600000000 ] - [ -0.0002446200000000, 0.0004373400000000, 0.0001083300000000 ] - [ -0.0106640200000000, 0.0020061400000000, 0.0035772400000000 ] - [ 0.0024727000000000, 0.0005518500000000, 0.0003929400000000 ] - [ 0.0012357600000000, 0.0006226300000000, 0.0000049200000000 ] - [ -0.0069315100000000, -0.0008864500000000, 0.0024970000000000 ] - [ 0.0046891400000000, -0.0027964700000000, 0.0009378000000000 ] - [ 0.0015322200000000, -0.0005377100000000, 0.0006445700000000 ] - [ -0.0036257800000000, 0.0017087100000000, -0.0019000500000000 ] - [ 0.0014425100000000, 0.0039439000000000, -0.0024731700000000 ] - [ -0.0028995000000000, -0.0004609400000000, 0.0035941100000000 ] - [ 0.0008192700000000, -0.0010644500000000, 0.0018819900000000 ] - [ 0.0000203000000000, 0.0009634500000000, -0.0018102100000000 ] - [ 0.0016931500000000, -0.0008698100000000, 0.0005752200000000 ] - [ 0.0036345700000000, 0.0014549200000000, 0.0005605600000000 ] - [ 0.0003835400000000, 0.0008792900000000, 0.0013964100000000 ] - [ 0.0016839100000000, -0.0014679800000000, -0.0023669100000000 ] - [ 0.0077760500000000, 0.0023163400000000, -0.0040965100000000 ] - [ -0.0017231300000000, -0.0019973100000000, 0.0064570900000000 ] - [ -0.0013084700000000, 0.0005448900000000, -0.0028867000000000 ] - [ -0.1701789500000000, -0.0264857700000000, 0.0612602300000000 ] - [ 0.2678794900000000, 0.0408186600000000, -0.1115504500000000 ] - [ 0.0030386000000000, 0.0003155800000000, -0.0008637900000000 ] - [ -0.0003455900000000, -0.0016510400000000, 0.0023511500000000 ] - [ -0.0009463400000000, -0.0013433400000000, 0.0018441100000000 ] - [ -0.0123145100000000, 0.0080500700000000, 0.0037582700000000 ] - [ 0.0000659900000000, 0.0009450000000000, -0.0019013500000000 ] - [ -0.0032825000000000, -0.0008194500000000, -0.0007634900000000 ] - [ 0.0011394200000000, 0.0004326000000000, 0.0012923800000000 ] - [ -0.0017620200000000, -0.0012952900000000, 0.0062194800000000 ] - [ 0.0007557300000000, -0.0028250900000000, 0.0018895000000000 ] - [ 0.0012316600000000, -0.0007884800000000, 0.0026949800000000 ] - [ 0.0024588400000000, -0.0036776900000000, -0.0033384500000000 ] - [ 0.0027571700000000, 0.0017579000000000, -0.0009555600000000 ] - [ 0.0037805300000000, -0.0000324500000000, -0.0026336700000000 ] - [ -0.0016666800000000, 0.0002452900000000, -0.0006565800000000 ] - [ -0.0019203900000000, -0.0002452100000000, -0.0008305900000000 ] - [ -0.0015352000000000, 0.0002349600000000, -0.0004609800000000 ] - [ 0.0016884800000000, 0.0003054200000000, -0.0013285300000000 ] - [ -0.0034504800000000, -0.0002873800000000, 0.0006858400000000 ] - [ -0.0004315200000000, -0.0000659100000000, -0.0000619900000000 ] - [ -0.0004374100000000, 0.0000440900000000, -0.0010369300000000 ] - [ -0.0031997900000000, -0.0002744700000000, -0.0103331300000000 ] - [ -0.0012133500000000, 0.0015001900000000, -0.0013052700000000 ] - [ -0.0017829400000000, 0.0002364300000000, 0.0034653900000000 ] - [ -0.0523870900000000, -0.0289583400000000, 0.0054164800000000 ] - [ -0.0015487900000000, 0.0016395600000000, -0.0028995200000000 ] - [ -0.0011567600000000, 0.0000931500000000, -0.0010788800000000 ] - [ -0.0032961800000000, -0.0002171800000000, -0.0018849400000000 ] - [ -0.0019530200000000, -0.0000009100000000, 0.0000102100000000 ] - [ -0.0041417200000000, 0.0006761500000000, 0.0014637000000000 ] - [ -0.0019981700000000, -0.0002122200000000, 0.0006676400000000 ] - [ -0.0014752100000000, 0.0003250000000000, 0.0003073000000000 ] - [ 0.0029388000000000, 0.0004857700000000, 0.0025688200000000 ] - [ -0.0077090800000000, 0.0019476500000000, 0.0365626400000000 ] - [ 0.0009104600000000, -0.0011370600000000, 0.0020947500000000 ] - [ -0.0047213600000000, -0.0013638100000000, -0.0005933900000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0033943000000000, 0.0014306300000000, 0.0000524400000000 ] - [ 0.0001634200000000, -0.0009751500000000, 0.0010103800000000 ] - [ -0.0002730400000000, 0.0000517100000000, -0.0002040800000000 ] - [ 0.0006090500000000, -0.0002806000000000, 0.0000052600000000 ] - [ 0.0014035200000000, -0.0010199400000000, -0.0009674000000000 ] - [ -0.0006109300000000, -0.0004664400000000, -0.0005408400000000 ] - [ -0.0003689700000000, 0.0001044100000000, 0.0002722400000000 ] - [ -0.0000918400000000, -0.0065189600000000, -0.0010785700000000 ] - [ -0.0008146900000000, -0.0020753200000000, -0.0000370000000000 ] - [ -0.0001366000000000, 0.0005681400000000, -0.0000920700000000 ] - [ -0.0000693400000000, 0.0032853900000000, -0.0013045100000000 ] - [ 0.0003015500000000, -0.0004471800000000, -0.0001389600000000 ] - [ 0.0001628000000000, -0.0002844700000000, 0.0005089300000000 ] - [ 0.0000098300000000, -0.0004659600000000, 0.0011065800000000 ] - [ -0.0002870600000000, 0.0005506300000000, 0.0004447500000000 ] - [ 0.0002766100000000, 0.0006539200000000, -0.0001987800000000 ] - [ -0.0001603400000000, 0.0000344600000000, 0.0005202700000000 ] - [ 0.0001675100000000, -0.0016300700000000, -0.0003428400000000 ] - [ -0.0005300800000000, 0.0004588200000000, -0.0000637200000000 ] - [ 0.0005086800000000, 0.0001386000000000, -0.0002692400000000 ] - [ -0.0000364600000000, 0.0101932200000000, -0.0006675400000000 ] - [ -0.0010521600000000, 0.0008770000000000, -0.0072405700000000 ] - [ -0.0002328800000000, -0.0003375400000000, 0.0001369800000000 ] - [ -0.0010094400000000, -0.0024937100000000, 0.0000542500000000 ] - [ 0.0004576900000000, -0.0008679400000000, 0.0001908000000000 ] - [ 0.0002865500000000, -0.0003150100000000, -0.0001987100000000 ] - [ -0.0004780200000000, 0.0010243000000000, 0.0002251300000000 ] - [ 0.0002108100000000, 0.0002862800000000, -0.0001310900000000 ] - [ -0.0002970700000000, 0.0003317700000000, -0.0001096600000000 ] - [ -0.0013758500000000, 0.0093352800000000, 0.0016598800000000 ] - [ 0.0001582600000000, 0.0001740800000000, 0.0000339900000000 ] - [ -0.0000891900000000, -0.0000207000000000, 0.0001234400000000 ] - [ -0.0007529300000000, 0.0064357900000000, 0.0004584700000000 ] - [ -0.0015966700000000, 0.0011643500000000, -0.0004689500000000 ] - [ 0.0001506000000000, -0.0002954500000000, 0.0000411400000000 ] - [ -0.0004038600000000, 0.0004318100000000, 0.0004939200000000 ] - [ -0.0018632300000000, 0.0007032600000000, 0.0027805500000000 ] - [ 0.0025036800000000, -0.0079285400000000, -0.0043534700000000 ] - [ 0.0044691500000000, 0.0017093200000000, 0.0009334700000000 ] - [ 0.0002870700000000, 0.0001089900000000, 0.0005152400000000 ] - [ -0.0001421500000000, -0.0002664300000000, -0.0003149800000000 ] - [ -0.0004867400000000, -0.0000699000000000, -0.0003386900000000 ] - [ 0.0000668300000000, -0.0003334000000000, -0.0008253000000000 ] - [ -0.0003381000000000, 0.0002880400000000, 0.0007970800000000 ] - [ 0.0026942300000000, 0.0011676800000000, -0.0023497300000000 ] - [ -0.0001114100000000, 0.0007793800000000, -0.0000851200000000 ] - [ 0.0004021200000000, 0.0012401700000000, -0.0025216500000000 ] - [ 0.0265110600000000, 0.0603256300000000, -0.0118499400000000 ] - [ -0.0426219700000000, -0.0805639700000000, 0.0122389300000000 ] - [ 0.0006539500000000, -0.0005463500000000, -0.0004019100000000 ] - [ 0.0011924100000000, 0.0005956700000000, -0.0011893900000000 ] - [ 0.0001545500000000, 0.0003005600000000, -0.0003532900000000 ] - [ -0.0076956800000000, 0.0024522700000000, 0.0022224800000000 ] - [ -0.0012678100000000, -0.0002493100000000, -0.0009738300000000 ] - [ 0.0007027000000000, 0.0006883800000000, 0.0003551800000000 ] - [ -0.0001780400000000, 0.0004402700000000, -0.0005627200000000 ] - [ 0.0017305300000000, -0.0012840600000000, -0.0018307100000000 ] - [ 0.0022265500000000, 0.0033341600000000, -0.0028274700000000 ] - [ -0.0011228300000000, -0.0005231900000000, 0.0015793200000000 ] - [ 0.0022775100000000, 0.0089172400000000, 0.0056851000000000 ] - [ -0.0005933900000000, 0.0021416700000000, 0.0008147400000000 ] - [ -0.0019175000000000, 0.0071724100000000, -0.0035665400000000 ] - [ -0.0002017200000000, 0.0000005800000000, 0.0001509400000000 ] - [ -0.0000432600000000, 0.0001228700000000, 0.0001139200000000 ] - [ 0.0000673100000000, -0.0000435300000000, 0.0003969700000000 ] - [ -0.0045110100000000, 0.0047940900000000, -0.0017879600000000 ] - [ -0.0000502300000000, 0.0003758400000000, 0.0003972500000000 ] - [ 0.0002666000000000, 0.0002379900000000, -0.0005810500000000 ] - [ 0.0003136200000000, -0.0001549000000000, 0.0004546700000000 ] - [ 0.0007169200000000, -0.0021802600000000, 0.0006082400000000 ] - [ -0.0011612900000000, -0.0014448800000000, 0.0003797200000000 ] - [ -0.0003669600000000, 0.0002761700000000, 0.0016309800000000 ] - [ 0.0322687100000000, -0.0037516000000000, -0.0019959100000000 ] - [ 0.0005184100000000, -0.0001898600000000, 0.0001197800000000 ] - [ -0.0001447000000000, 0.0011866400000000, 0.0001381900000000 ] - [ 0.0002466400000000, 0.0001036000000000, 0.0007304800000000 ] - [ -0.0003376400000000, -0.0000882300000000, 0.0003313900000000 ] - [ 0.0015931200000000, -0.0003010300000000, -0.0005530300000000 ] - [ -0.0000702700000000, 0.0000272300000000, -0.0005624500000000 ] - [ 0.0000757400000000, -0.0009824200000000, -0.0001588900000000 ] - [ -0.0006665100000000, 0.0012991400000000, 0.0049056400000000 ] - [ -0.0058280000000000, -0.0166083100000000, 0.0076309100000000 ] - [ -0.0000958300000000, -0.0010181100000000, 0.0008785900000000 ] - [ -0.0009282800000000, -0.0012971000000000, -0.0000900400000000 ]- atom: 49 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0026571100000000, -0.0021155000000000, 0.0001926800000000 ] - [ -0.0002131600000000, 0.0017378700000000, -0.0007826700000000 ] - [ 0.0003201600000000, 0.0007068600000000, -0.0000387100000000 ] - [ 0.0001215500000000, -0.0004017800000000, -0.0002657800000000 ] - [ -0.0014616800000000, 0.0002458600000000, 0.0012273600000000 ] - [ 0.0006614800000000, -0.0002974300000000, 0.0003038100000000 ] - [ -0.0003638100000000, 0.0005691100000000, -0.0000346100000000 ] - [ 0.0008253800000000, 0.0073257000000000, 0.0008519700000000 ] - [ 0.0000845100000000, 0.0014203400000000, 0.0002771500000000 ] - [ 0.0000962300000000, 0.0001895700000000, 0.0003329500000000 ] - [ 0.0001217200000000, -0.0025284200000000, 0.0010837600000000 ] - [ 0.0004344400000000, -0.0002235100000000, -0.0000948600000000 ] - [ -0.0002047100000000, -0.0004707300000000, -0.0002612100000000 ] - [ 0.0000504600000000, -0.0002768300000000, -0.0013629500000000 ] - [ -0.0004447800000000, 0.0001182600000000, -0.0002129000000000 ] - [ 0.0004539300000000, 0.0000147600000000, -0.0000369800000000 ] - [ -0.0005706300000000, 0.0006553800000000, 0.0000188700000000 ] - [ -0.0001674200000000, 0.0011970900000000, 0.0003329500000000 ] - [ 0.0000036200000000, 0.0003725000000000, -0.0000374600000000 ] - [ 0.0002245300000000, 0.0005482900000000, -0.0002734000000000 ] - [ 0.0005341600000000, -0.0105580400000000, 0.0009893500000000 ] - [ 0.0010357500000000, -0.0005112400000000, 0.0072379600000000 ] - [ -0.0004965000000000, -0.0003474200000000, 0.0004115900000000 ] - [ 0.0005023000000000, 0.0016588900000000, -0.0001601200000000 ] - [ 0.0000641000000000, 0.0000315400000000, -0.0000921500000000 ] - [ 0.0004511000000000, -0.0003742100000000, -0.0003475400000000 ] - [ -0.0002567800000000, -0.0003248800000000, 0.0003021600000000 ] - [ -0.0002105000000000, -0.0007259400000000, 0.0001318600000000 ] - [ -0.0002311100000000, 0.0005054300000000, 0.0000063400000000 ] - [ 0.0020469700000000, -0.0086776800000000, -0.0021501100000000 ] - [ 0.0003726300000000, 0.0006575100000000, 0.0000761100000000 ] - [ 0.0000942000000000, 0.0004573700000000, -0.0001239000000000 ] - [ -0.0001810200000000, -0.0069733900000000, -0.0000530700000000 ] - [ 0.0010963600000000, -0.0020227000000000, 0.0003784400000000 ] - [ 0.0003821300000000, -0.0005464500000000, 0.0000587300000000 ] - [ 0.0011088200000000, -0.0010996300000000, -0.0010406000000000 ] - [ 0.0018822900000000, 0.0000762700000000, -0.0028107300000000 ] - [ -0.0025340100000000, 0.0071312900000000, 0.0043945800000000 ] - [ -0.0045229600000000, -0.0024454000000000, -0.0006373600000000 ] - [ -0.0002971900000000, 0.0006065600000000, -0.0002114700000000 ] - [ 0.0001610600000000, -0.0004518200000000, 0.0000051500000000 ] - [ 0.0005122100000000, 0.0007892600000000, 0.0000339900000000 ] - [ -0.0000656800000000, 0.0011393600000000, 0.0008302200000000 ] - [ 0.0003459500000000, -0.0010944600000000, -0.0008062700000000 ] - [ -0.0026876100000000, -0.0018765400000000, 0.0026451200000000 ] - [ 0.0000999500000000, -0.0000576800000000, 0.0003948100000000 ] - [ -0.0003925300000000, -0.0019458700000000, 0.0021927000000000 ] - [ -0.0269086900000000, -0.0601140800000000, 0.0117906100000000 ] - [ 0.0427992200000000, 0.0823942300000000, -0.0120556600000000 ] - [ 0.0000602300000000, 0.0005804900000000, -0.0004583000000000 ] - [ -0.0005814500000000, -0.0006483600000000, 0.0015074400000000 ] - [ 0.0002822600000000, -0.0006324200000000, 0.0002964000000000 ] - [ 0.0083294300000000, -0.0024799100000000, -0.0030640500000000 ] - [ 0.0017202800000000, 0.0005846100000000, 0.0009219000000000 ] - [ -0.0011154100000000, -0.0003773300000000, 0.0000868800000000 ] - [ 0.0005770700000000, -0.0001213300000000, 0.0001256100000000 ] - [ -0.0017352900000000, 0.0023071500000000, 0.0018524500000000 ] - [ -0.0028723500000000, -0.0033985200000000, 0.0025585400000000 ] - [ 0.0004231700000000, 0.0004772600000000, -0.0007000000000000 ] - [ -0.0016970800000000, -0.0089323400000000, -0.0054356600000000 ] - [ 0.0000016900000000, -0.0020658000000000, -0.0011356400000000 ] - [ 0.0019192600000000, -0.0081645200000000, 0.0034999400000000 ] - [ -0.0002437100000000, 0.0003250600000000, -0.0000883400000000 ] - [ -0.0004064900000000, -0.0004500200000000, -0.0000562200000000 ] - [ -0.0004706100000000, -0.0002679700000000, 0.0000463000000000 ] - [ 0.0049655800000000, -0.0051450500000000, 0.0013569400000000 ] - [ -0.0006614400000000, -0.0003456900000000, 0.0004677500000000 ] - [ 0.0004318200000000, -0.0002061900000000, -0.0002792400000000 ] - [ 0.0003014700000000, 0.0001011200000000, -0.0001542900000000 ] - [ -0.0002573000000000, 0.0018573500000000, -0.0006575200000000 ] - [ 0.0018754700000000, 0.0014259000000000, -0.0012522500000000 ] - [ 0.0008038400000000, 0.0000444000000000, -0.0016803500000000 ] - [ -0.0325637800000000, 0.0038380400000000, 0.0024652200000000 ] - [ -0.0001238300000000, 0.0004958000000000, -0.0005642700000000 ] - [ 0.0001451400000000, -0.0001918700000000, -0.0001412500000000 ] - [ -0.0008752900000000, -0.0001589100000000, -0.0010397700000000 ] - [ -0.0003697400000000, 0.0000563000000000, 0.0005362300000000 ] - [ -0.0009955600000000, 0.0003554100000000, 0.0008594300000000 ] - [ -0.0005514300000000, 0.0000245800000000, 0.0002636800000000 ] - [ -0.0000796800000000, -0.0000155200000000, 0.0001569500000000 ] - [ 0.0002300700000000, -0.0009887600000000, -0.0048040900000000 ] - [ 0.0051909700000000, 0.0163563800000000, -0.0073234700000000 ] - [ -0.0002992500000000, 0.0006963500000000, -0.0004181300000000 ] - [ 0.0013083800000000, 0.0009766200000000, -0.0003595200000000 ]- atom: 49 displacement: [ -0.0029959570305193, 0.0000000000000000, 0.0095406625279003 ] forces: - [ 0.0030414600000000, 0.0011426000000000, 0.0031521600000000 ] - [ -0.0012433400000000, 0.0008034300000000, -0.0008834000000000 ] - [ 0.0010305500000000, 0.0003327700000000, -0.0003500300000000 ] - [ 0.0004336400000000, -0.0012898200000000, -0.0053226100000000 ] - [ 0.0010401100000000, -0.0035917100000000, 0.0007693000000000 ] - [ -0.0004100900000000, -0.0005522400000000, 0.0003171500000000 ] - [ -0.0002909400000000, 0.0005242300000000, -0.0011590600000000 ] - [ -0.0024671700000000, -0.0011482000000000, 0.0034055200000000 ] - [ 0.0005868300000000, 0.0009084100000000, 0.0007046600000000 ] - [ 0.0006682000000000, 0.0004320600000000, -0.0004675300000000 ] - [ -0.0060108900000000, -0.0011169100000000, -0.0022349100000000 ] - [ 0.0003479400000000, -0.0002075500000000, -0.0001083400000000 ] - [ 0.0001967000000000, -0.0001702500000000, 0.0012049800000000 ] - [ 0.0025599300000000, 0.0019070500000000, -0.0015930900000000 ] - [ -0.0003575100000000, 0.0003967000000000, -0.0007687500000000 ] - [ 0.0012331000000000, 0.0003327200000000, 0.0001708600000000 ] - [ -0.0005577300000000, 0.0005611600000000, -0.0000062800000000 ] - [ 0.0007425300000000, -0.0002973900000000, -0.0013956400000000 ] - [ -0.0001355500000000, 0.0001253900000000, -0.0016795600000000 ] - [ 0.0006588300000000, 0.0003624700000000, -0.0001299700000000 ] - [ -0.0027824600000000, 0.0016880600000000, 0.0074097200000000 ] - [ -0.0049822200000000, -0.0048502400000000, -0.0032007000000000 ] - [ 0.0003134500000000, -0.0006054600000000, 0.0006082800000000 ] - [ -0.0001330500000000, -0.0008327000000000, 0.0016444200000000 ] - [ 0.0002402000000000, -0.0005375000000000, -0.0016798700000000 ] - [ 0.0005961600000000, -0.0004861000000000, -0.0002848700000000 ] - [ 0.0005192800000000, -0.0002358800000000, -0.0019746500000000 ] - [ -0.0001599400000000, -0.0004787000000000, 0.0002858100000000 ] - [ -0.0005544300000000, 0.0003755200000000, -0.0004911600000000 ] - [ -0.0072099000000000, 0.0031093300000000, 0.0132442200000000 ] - [ 0.0012799700000000, 0.0004661100000000, 0.0003905400000000 ] - [ 0.0005271000000000, 0.0004542900000000, 0.0000046600000000 ] - [ -0.0016602300000000, -0.0018651400000000, 0.0094069000000000 ] - [ 0.0019881400000000, -0.0012421500000000, 0.0011575400000000 ] - [ 0.0001406600000000, -0.0005106700000000, -0.0001499500000000 ] - [ -0.0020093500000000, 0.0030273700000000, -0.0043062600000000 ] - [ 0.0024219700000000, 0.0054541400000000, -0.0037293300000000 ] - [ -0.0010515600000000, 0.0014910600000000, 0.0025025100000000 ] - [ -0.0022247300000000, -0.0001751800000000, 0.0027494900000000 ] - [ 0.0006426500000000, 0.0004079400000000, -0.0011630300000000 ] - [ 0.0000462900000000, -0.0002756400000000, -0.0005929900000000 ] - [ 0.0016081000000000, 0.0009580800000000, 0.0007753100000000 ] - [ -0.0001775900000000, 0.0006272700000000, 0.0008297100000000 ] - [ 0.0008965000000000, -0.0006793900000000, -0.0009727400000000 ] - [ 0.0048010600000000, 0.0009297100000000, -0.0020259300000000 ] - [ -0.0007701700000000, 0.0009664100000000, -0.0009835100000000 ] - [ 0.0009548200000000, 0.0019036600000000, -0.0079431400000000 ] - [ -0.1123004200000000, -0.0190065800000000, 0.1079864000000000 ] - [ 0.1877577100000000, 0.0233365800000000, -0.1755165200000000 ] - [ 0.0015578100000000, 0.0000803700000000, 0.0022859300000000 ] - [ -0.0011701200000000, -0.0022409300000000, 0.0037911700000000 ] - [ -0.0006670800000000, -0.0006614900000000, 0.0008814500000000 ] - [ -0.0074231300000000, 0.0049193200000000, -0.0008629200000000 ] - [ 0.0023501600000000, -0.0009844000000000, -0.0007939500000000 ] - [ -0.0017600600000000, -0.0002536400000000, -0.0009876100000000 ] - [ 0.0000417300000000, 0.0010671700000000, 0.0017936900000000 ] - [ -0.0051409000000000, -0.0022290500000000, 0.0069328600000000 ] - [ -0.0016842600000000, -0.0037010200000000, 0.0008230800000000 ] - [ -0.0020485100000000, -0.0013302800000000, 0.0056184600000000 ] - [ 0.0023925100000000, 0.0000840000000000, -0.0035018300000000 ] - [ 0.0010194600000000, 0.0014783000000000, 0.0009824100000000 ] - [ 0.0021274400000000, -0.0040501100000000, -0.0001847300000000 ] - [ -0.0006311800000000, 0.0000874300000000, 0.0003703500000000 ] - [ -0.0006885400000000, -0.0003433500000000, -0.0008179000000000 ] - [ -0.0002019700000000, -0.0001083200000000, 0.0008152500000000 ] - [ 0.0022348000000000, -0.0013830100000000, -0.0023915000000000 ] - [ -0.0015253200000000, -0.0001084700000000, 0.0002180800000000 ] - [ -0.0002305300000000, 0.0001359100000000, 0.0003568900000000 ] - [ 0.0008745900000000, 0.0001513000000000, 0.0001200000000000 ] - [ 0.0039969100000000, -0.0000144500000000, 0.0007064400000000 ] - [ 0.0007153900000000, 0.0012173000000000, -0.0022517400000000 ] - [ -0.0013929900000000, 0.0002105000000000, 0.0020037600000000 ] - [ -0.0146675200000000, -0.0083314800000000, -0.0151668900000000 ] - [ 0.0008686700000000, -0.0005625900000000, 0.0005038500000000 ] - [ -0.0000179500000000, 0.0002115300000000, -0.0002826500000000 ] - [ -0.0013981400000000, -0.0001818700000000, -0.0010837400000000 ] - [ -0.0004280000000000, 0.0000872700000000, 0.0007814100000000 ] - [ -0.0017808900000000, 0.0000315100000000, 0.0002099400000000 ] - [ -0.0006152600000000, -0.0001754600000000, 0.0004293900000000 ] - [ -0.0008274300000000, -0.0001523900000000, 0.0000343800000000 ] - [ 0.0003510800000000, 0.0035309000000000, 0.0087717400000000 ] - [ -0.0416326600000000, 0.0031472000000000, 0.0489305600000000 ] - [ 0.0002839900000000, -0.0015026600000000, 0.0042303500000000 ] - [ -0.0026666800000000, -0.0009941600000000, -0.0008723400000000 ]- atom: 49 displacement: [ 0.0029959570305193, 0.0000000000000000, -0.0095406625279003 ] forces: - [ -0.0038072900000000, -0.0018194900000000, -0.0028750800000000 ] - [ 0.0011948400000000, -0.0000414400000000, 0.0011302800000000 ] - [ -0.0009821400000000, 0.0004268300000000, 0.0001100400000000 ] - [ 0.0003068200000000, 0.0006267100000000, 0.0050932200000000 ] - [ -0.0010713000000000, 0.0028468700000000, -0.0005479500000000 ] - [ 0.0004463200000000, -0.0002085100000000, -0.0005630400000000 ] - [ -0.0004341400000000, 0.0001460200000000, 0.0013892200000000 ] - [ 0.0031872800000000, 0.0018435700000000, -0.0036151500000000 ] - [ -0.0013000200000000, -0.0015681300000000, -0.0004659300000000 ] - [ -0.0007039100000000, 0.0003256900000000, 0.0007085700000000 ] - [ 0.0060382600000000, 0.0018774400000000, 0.0020456800000000 ] - [ 0.0003802200000000, -0.0004633700000000, -0.0001279200000000 ] - [ -0.0002490800000000, -0.0005853900000000, -0.0009609800000000 ] - [ -0.0025236600000000, -0.0026794400000000, 0.0013276300000000 ] - [ -0.0003861900000000, 0.0002776000000000, 0.0010060400000000 ] - [ -0.0005036700000000, 0.0003378600000000, -0.0004085900000000 ] - [ -0.0001773300000000, 0.0001279700000000, 0.0005497300000000 ] - [ -0.0007358900000000, -0.0001428100000000, 0.0014003800000000 ] - [ -0.0003875600000000, 0.0007127800000000, 0.0015741600000000 ] - [ 0.0000771900000000, 0.0003261500000000, -0.0004114300000000 ] - [ 0.0032928100000000, -0.0008616600000000, -0.0072748100000000 ] - [ 0.0050106400000000, 0.0052730000000000, 0.0030977600000000 ] - [ -0.0010483100000000, -0.0000770100000000, -0.0000673700000000 ] - [ -0.0003954400000000, -0.0000016100000000, -0.0017358600000000 ] - [ 0.0002991900000000, -0.0003024600000000, 0.0017705400000000 ] - [ 0.0001366100000000, -0.0002051400000000, -0.0002595900000000 ] - [ -0.0012377100000000, 0.0009274900000000, 0.0025159200000000 ] - [ 0.0001593400000000, 0.0000427800000000, -0.0002833300000000 ] - [ 0.0000241400000000, 0.0004588700000000, 0.0003933800000000 ] - [ 0.0072053900000000, -0.0019300500000000, -0.0127620500000000 ] - [ -0.0007482400000000, 0.0003646300000000, -0.0002829000000000 ] - [ -0.0005278300000000, -0.0000186900000000, -0.0000079400000000 ] - [ 0.0008403300000000, 0.0012304300000000, -0.0088708500000000 ] - [ -0.0024967200000000, 0.0003854900000000, -0.0012595300000000 ] - [ 0.0003784300000000, -0.0003282200000000, 0.0002445400000000 ] - [ 0.0027641900000000, -0.0037338800000000, 0.0037521000000000 ] - [ -0.0024179000000000, -0.0046049100000000, 0.0037292500000000 ] - [ 0.0010821200000000, -0.0022789600000000, -0.0025434400000000 ] - [ 0.0022336300000000, -0.0005205300000000, -0.0024116900000000 ] - [ -0.0006718800000000, 0.0003156000000000, 0.0014594700000000 ] - [ -0.0000337600000000, -0.0004385800000000, 0.0002818200000000 ] - [ -0.0015945000000000, -0.0002430000000000, -0.0010832400000000 ] - [ 0.0001727600000000, 0.0001707500000000, -0.0008174600000000 ] - [ -0.0008970000000000, -0.0001289500000000, 0.0009630600000000 ] - [ -0.0048114000000000, -0.0016465200000000, 0.0023469000000000 ] - [ 0.0007800300000000, -0.0002443100000000, 0.0012560600000000 ] - [ -0.0009350500000000, -0.0026184400000000, 0.0076175500000000 ] - [ 0.1200700700000000, 0.0214994700000000, -0.1113976500000000 ] - [ -0.1960187700000000, -0.0254590800000000, 0.1791422700000000 ] - [ -0.0008782600000000, -0.0000454200000000, -0.0031369500000000 ] - [ 0.0017797500000000, 0.0021721300000000, -0.0034813500000000 ] - [ 0.0011105300000000, 0.0003292700000000, -0.0009262800000000 ] - [ 0.0081225900000000, -0.0049249800000000, -0.0000377900000000 ] - [ -0.0018975200000000, 0.0012980200000000, 0.0007167200000000 ] - [ 0.0013643300000000, 0.0005680400000000, 0.0014291500000000 ] - [ 0.0003666800000000, -0.0007680600000000, -0.0022366900000000 ] - [ 0.0050857200000000, 0.0032047100000000, -0.0068801700000000 ] - [ 0.0010710700000000, 0.0036206300000000, -0.0011467500000000 ] - [ 0.0013277800000000, 0.0013068200000000, -0.0047508200000000 ] - [ -0.0017642300000000, 0.0000202700000000, 0.0038410500000000 ] - [ -0.0016595700000000, -0.0014438100000000, -0.0012605800000000 ] - [ -0.0021397300000000, 0.0030475500000000, 0.0002125400000000 ] - [ 0.0001867900000000, 0.0002370600000000, -0.0003073200000000 ] - [ 0.0002486300000000, 0.0000172500000000, 0.0008792300000000 ] - [ -0.0001955600000000, -0.0002071900000000, -0.0003637400000000 ] - [ -0.0018641300000000, 0.0010780900000000, 0.0019220400000000 ] - [ 0.0008203900000000, 0.0001409100000000, 0.0006491500000000 ] - [ 0.0009444900000000, -0.0001030700000000, -0.0012190300000000 ] - [ -0.0002462500000000, -0.0002024300000000, 0.0001769900000000 ] - [ -0.0035508900000000, -0.0003146800000000, -0.0007110400000000 ] - [ -0.0000211500000000, -0.0012503400000000, 0.0013892900000000 ] - [ 0.0018297100000000, 0.0001143100000000, -0.0020710800000000 ] - [ 0.0139524500000000, 0.0085270600000000, 0.0158089300000000 ] - [ -0.0004728500000000, 0.0008710000000000, -0.0009362400000000 ] - [ 0.0000191800000000, 0.0007896000000000, 0.0002755500000000 ] - [ 0.0007727600000000, 0.0001273500000000, 0.0007727800000000 ] - [ -0.0002731900000000, -0.0001188500000000, 0.0000858900000000 ] - [ 0.0023847000000000, 0.0000269700000000, 0.0001053200000000 ] - [ 0.0000023200000000, 0.0002280300000000, -0.0007253800000000 ] - [ 0.0008361400000000, -0.0008457100000000, -0.0000314400000000 ] - [ -0.0007903300000000, -0.0031626900000000, -0.0086820300000000 ] - [ 0.0421496500000000, -0.0036024900000000, -0.0498669700000000 ] - [ -0.0006647700000000, 0.0011945700000000, -0.0037827600000000 ] - [ 0.0030588300000000, 0.0006766700000000, 0.0004180400000000 ]- atom: 51 displacement: [ 0.0099999877275060, 0.0000000000000000, -0.0000156668353337 ] forces: - [ 0.0015554500000000, -0.0009277400000000, 0.0013805800000000 ] - [ -0.0044076000000000, 0.0009174600000000, 0.0005374200000000 ] - [ 0.0035522100000000, 0.0002232500000000, -0.0013611100000000 ] - [ 0.0017923500000000, -0.0024985400000000, -0.0024601500000000 ] - [ 0.0002926400000000, -0.0004216300000000, -0.0004124600000000 ] - [ 0.0001808400000000, -0.0002781200000000, 0.0013535300000000 ] - [ -0.0000208200000000, -0.0036744600000000, 0.0031180300000000 ] - [ -0.0003695500000000, 0.0012768600000000, 0.0011004100000000 ] - [ -0.0009606000000000, -0.0002209400000000, -0.0003019300000000 ] - [ -0.0004817200000000, 0.0010786900000000, -0.0003551400000000 ] - [ -0.0009568600000000, 0.0003366900000000, -0.0000676200000000 ] - [ -0.0009823900000000, -0.0009959000000000, 0.0001001100000000 ] - [ -0.0000930000000000, -0.0004139500000000, 0.0004808700000000 ] - [ -0.0002227500000000, -0.0002569200000000, -0.0005722700000000 ] - [ -0.0018071000000000, 0.0000338900000000, 0.0000023700000000 ] - [ -0.0000492300000000, 0.0006813200000000, -0.0010526600000000 ] - [ -0.0017864500000000, 0.0000882200000000, 0.0001419100000000 ] - [ 0.0089351500000000, -0.0003090000000000, -0.0015437000000000 ] - [ 0.0155021400000000, -0.0042476800000000, -0.0076203300000000 ] - [ -0.0008320400000000, 0.0000886600000000, -0.0011645300000000 ] - [ -0.0019394600000000, -0.0005871900000000, 0.0020263400000000 ] - [ 0.0005484800000000, 0.0001715500000000, 0.0013425300000000 ] - [ -0.0010414200000000, -0.0004146300000000, -0.0002067700000000 ] - [ 0.0028294800000000, 0.0012670000000000, 0.0016241300000000 ] - [ 0.0091247500000000, -0.0019352300000000, 0.0028588700000000 ] - [ -0.0007716500000000, -0.0005852900000000, -0.0000528800000000 ] - [ 0.0025411400000000, -0.0000840600000000, -0.0004676400000000 ] - [ -0.0011991100000000, 0.0000925500000000, -0.0005100900000000 ] - [ -0.0011855300000000, 0.0006322700000000, -0.0001079400000000 ] - [ 0.0000672300000000, -0.0007675000000000, 0.0005639000000000 ] - [ -0.0000782900000000, 0.0002416800000000, -0.0003244000000000 ] - [ -0.0007199500000000, 0.0003013600000000, -0.0003928600000000 ] - [ 0.0001285100000000, -0.0003540400000000, 0.0010832500000000 ] - [ -0.0007756900000000, -0.0004779000000000, -0.0003320300000000 ] - [ -0.0004507000000000, 0.0000777400000000, 0.0002231700000000 ] - [ 0.0017164600000000, -0.0002510900000000, -0.0001656200000000 ] - [ 0.1008693500000000, 0.0481564300000000, -0.0702542000000000 ] - [ -0.0018933100000000, 0.0000370000000000, 0.0026681900000000 ] - [ -0.0018522800000000, -0.0010380100000000, -0.0000191900000000 ] - [ -0.0040962600000000, 0.0034225400000000, -0.0015112100000000 ] - [ -0.0060325800000000, 0.0028990900000000, -0.0019215500000000 ] - [ -0.0004287800000000, 0.0001694400000000, -0.0003831000000000 ] - [ -0.0004283800000000, -0.0000331700000000, 0.0004050900000000 ] - [ -0.0003140300000000, -0.0005363300000000, 0.0002386700000000 ] - [ 0.0033417900000000, -0.0013187100000000, -0.0042855700000000 ] - [ -0.0007388200000000, 0.0003805300000000, 0.0021657400000000 ] - [ -0.0004985200000000, 0.0005708400000000, -0.0020398600000000 ] - [ -0.0010132300000000, 0.0001008200000000, 0.0004625600000000 ] - [ 0.0003036800000000, 0.0009030500000000, -0.0009041500000000 ] - [ -0.0006904600000000, -0.0025336800000000, -0.0022093000000000 ] - [ -0.1380845400000000, -0.0562263100000000, 0.1289020600000000 ] - [ 0.0013768600000000, -0.0012363200000000, 0.0019260700000000 ] - [ -0.0027142100000000, -0.0003163100000000, 0.0000098700000000 ] - [ 0.0018365700000000, 0.0003303500000000, 0.0002144200000000 ] - [ -0.0013299600000000, 0.0001465700000000, 0.0015224800000000 ] - [ 0.0068018600000000, -0.0011862500000000, 0.0045463900000000 ] - [ -0.0133699100000000, 0.0172162500000000, -0.0087332100000000 ] - [ 0.0072131500000000, 0.0031200800000000, -0.0442373200000000 ] - [ -0.0024998600000000, -0.0019936200000000, 0.0019382100000000 ] - [ 0.0006812100000000, -0.0009893900000000, -0.0044103900000000 ] - [ -0.0040974900000000, -0.0000897300000000, -0.0046762800000000 ] - [ -0.0004809600000000, -0.0007937800000000, -0.0012919400000000 ] - [ 0.0029464300000000, -0.0010293000000000, 0.0016451800000000 ] - [ 0.0004209700000000, 0.0001449600000000, 0.0000378300000000 ] - [ 0.0098586400000000, -0.0008879800000000, -0.0032036900000000 ] - [ 0.0021771600000000, 0.0002136600000000, -0.0004443800000000 ] - [ 0.0003900200000000, 0.0000213300000000, 0.0012519300000000 ] - [ 0.0033405600000000, -0.0005456700000000, -0.0006305400000000 ] - [ 0.0014540900000000, -0.0000371100000000, 0.0000621900000000 ] - [ -0.0000131500000000, -0.0000710400000000, -0.0020376000000000 ] - [ 0.0020365800000000, 0.0002242600000000, -0.0002261000000000 ] - [ -0.0019126100000000, 0.0070816900000000, 0.0045554000000000 ] - [ 0.0006287000000000, 0.0001744600000000, 0.0002373600000000 ] - [ 0.0006215500000000, 0.0006469900000000, -0.0009566700000000 ] - [ 0.0012607100000000, 0.0009225900000000, 0.0003632500000000 ] - [ 0.0004381600000000, -0.0001505900000000, 0.0001760900000000 ] - [ 0.0040945000000000, -0.0013065600000000, -0.0003458200000000 ] - [ 0.0009462600000000, -0.0000522500000000, 0.0003836900000000 ] - [ 0.0005724900000000, -0.0000579300000000, -0.0002244800000000 ] - [ 0.0008582800000000, -0.0003529100000000, 0.0002010200000000 ] - [ 0.0003564100000000, -0.0018327400000000, 0.0005108100000000 ] - [ -0.0005595500000000, -0.0001563200000000, -0.0002950000000000 ] - [ 0.0008999000000000, -0.0000687800000000, 0.0010867800000000 ] - [ -0.0003119100000000, 0.0001505000000000, 0.0012649600000000 ]- atom: 51 displacement: [ -0.0099999877275060, 0.0000000000000000, 0.0000156668353337 ] forces: - [ -0.0023000100000000, 0.0002519900000000, -0.0011551200000000 ] - [ 0.0043465000000000, -0.0001534100000000, -0.0002733100000000 ] - [ -0.0038785200000000, 0.0004622100000000, 0.0008751900000000 ] - [ -0.0010312900000000, 0.0018334600000000, 0.0022443500000000 ] - [ -0.0003284100000000, -0.0003381000000000, 0.0006511900000000 ] - [ -0.0001405400000000, -0.0004815000000000, -0.0016036800000000 ] - [ -0.0007595500000000, 0.0043274000000000, -0.0028655200000000 ] - [ 0.0011037300000000, -0.0006081400000000, -0.0013430400000000 ] - [ 0.0002342000000000, -0.0004509200000000, 0.0005405600000000 ] - [ 0.0004403600000000, -0.0003299500000000, 0.0005986100000000 ] - [ 0.0010083900000000, 0.0004232500000000, -0.0001728300000000 ] - [ 0.0017214900000000, 0.0003296400000000, -0.0003362500000000 ] - [ 0.0000446600000000, -0.0003425900000000, -0.0002423700000000 ] - [ 0.0002680600000000, -0.0005007000000000, 0.0003327300000000 ] - [ 0.0010794900000000, 0.0006332400000000, 0.0002379400000000 ] - [ 0.0007802400000000, -0.0000145400000000, 0.0008214200000000 ] - [ 0.0010641400000000, 0.0005999000000000, 0.0004048900000000 ] - [ -0.0089152000000000, -0.0002055800000000, 0.0015029700000000 ] - [ -0.0164251500000000, 0.0054318800000000, 0.0081002900000000 ] - [ 0.0015705100000000, 0.0006012400000000, 0.0006250400000000 ] - [ 0.0024833000000000, 0.0014289300000000, -0.0019435000000000 ] - [ -0.0005526400000000, 0.0002654700000000, -0.0013474300000000 ] - [ 0.0003075400000000, -0.0002738500000000, 0.0007499000000000 ] - [ -0.0033701200000000, -0.0021031800000000, -0.0017404700000000 ] - [ -0.0085205100000000, 0.0009881600000000, -0.0025374600000000 ] - [ 0.0015066600000000, -0.0001035800000000, -0.0004951800000000 ] - [ -0.0033004900000000, 0.0007917400000000, 0.0010197800000000 ] - [ 0.0012049900000000, -0.0005293900000000, 0.0005121800000000 ] - [ 0.0006607100000000, 0.0002064900000000, 0.0000067800000000 ] - [ 0.0006950200000000, 0.0014811400000000, -0.0011003500000000 ] - [ 0.0005859100000000, 0.0005871000000000, 0.0004288800000000 ] - [ 0.0007205100000000, 0.0001357600000000, 0.0003917800000000 ] - [ -0.0008786500000000, -0.0003339800000000, -0.0005615100000000 ] - [ 0.0002655400000000, -0.0003616500000000, 0.0002369400000000 ] - [ 0.0009829100000000, -0.0009200700000000, -0.0001238400000000 ] - [ -0.0009914200000000, -0.0004397800000000, -0.0003773000000000 ] - [ -0.1004166100000000, -0.0454153900000000, 0.0676133200000000 ] - [ 0.0018861300000000, -0.0008476000000000, -0.0026717400000000 ] - [ 0.0018541400000000, 0.0003294600000000, 0.0003337500000000 ] - [ 0.0040757300000000, -0.0026939300000000, 0.0018162600000000 ] - [ 0.0060790400000000, -0.0036285000000000, 0.0016124400000000 ] - [ 0.0004383400000000, 0.0005457000000000, 0.0000744400000000 ] - [ 0.0004291200000000, 0.0008349300000000, -0.0004053900000000 ] - [ 0.0003158400000000, -0.0002649100000000, -0.0002408100000000 ] - [ -0.0033680100000000, 0.0005984300000000, 0.0045814200000000 ] - [ 0.0007142600000000, 0.0003348800000000, -0.0018609400000000 ] - [ 0.0005301200000000, -0.0012774700000000, 0.0017368400000000 ] - [ 0.0010386200000000, 0.0006164800000000, -0.0007780800000000 ] - [ -0.0010150300000000, -0.0008770800000000, 0.0017859300000000 ] - [ 0.0014152200000000, 0.0025727000000000, 0.0013417900000000 ] - [ 0.1393968500000000, 0.0542793900000000, -0.1261341500000000 ] - [ -0.0009364200000000, 0.0009028600000000, -0.0019805300000000 ] - [ 0.0034245400000000, 0.0002826000000000, -0.0008656900000000 ] - [ -0.0014026900000000, -0.0000042400000000, -0.0002847200000000 ] - [ 0.0009376600000000, 0.0001655700000000, -0.0010870100000000 ] - [ -0.0063476500000000, 0.0014969600000000, -0.0049414500000000 ] - [ 0.0131363400000000, -0.0163634200000000, 0.0088155100000000 ] - [ -0.0080125600000000, -0.0031703000000000, 0.0434634200000000 ] - [ 0.0017810200000000, 0.0019644800000000, -0.0010884700000000 ] - [ -0.0000543600000000, 0.0010448300000000, 0.0047123100000000 ] - [ 0.0034972100000000, 0.0001626300000000, 0.0043282700000000 ] - [ 0.0004881100000000, -0.0002053700000000, 0.0012928800000000 ] - [ -0.0034130700000000, 0.0013616100000000, -0.0015866800000000 ] - [ -0.0008646400000000, -0.0004722200000000, 0.0000286100000000 ] - [ -0.0103534800000000, 0.0005741500000000, 0.0037058500000000 ] - [ -0.0017968200000000, -0.0005289200000000, -0.0000020000000000 ] - [ -0.0010919400000000, 0.0000102700000000, -0.0003905700000000 ] - [ -0.0026355800000000, 0.0005727600000000, -0.0002348200000000 ] - [ -0.0008406100000000, -0.0000160300000000, 0.0002378600000000 ] - [ 0.0004577900000000, -0.0002526400000000, 0.0019784200000000 ] - [ -0.0013480900000000, -0.0002570100000000, -0.0006378400000000 ] - [ 0.0023863900000000, -0.0067644300000000, -0.0046147600000000 ] - [ -0.0010320100000000, 0.0001359400000000, 0.0002088600000000 ] - [ -0.0002193800000000, -0.0003383500000000, 0.0005146800000000 ] - [ -0.0012652700000000, 0.0000763700000000, -0.0003681300000000 ] - [ -0.0010604000000000, 0.0000975700000000, -0.0004790500000000 ] - [ -0.0048189000000000, 0.0012829800000000, 0.0012175700000000 ] - [ -0.0003316000000000, 0.0001038100000000, -0.0000806400000000 ] - [ -0.0011923600000000, 0.0001116700000000, -0.0000759300000000 ] - [ -0.0008572100000000, -0.0006478100000000, -0.0002015500000000 ] - [ -0.0008105800000000, 0.0021413900000000, -0.0004598400000000 ] - [ 0.0001128600000000, -0.0001664700000000, 0.0003635100000000 ] - [ -0.0013120200000000, -0.0002403400000000, -0.0006488800000000 ] - [ 0.0007195700000000, -0.0004560800000000, -0.0017065100000000 ]- atom: 51 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0004557500000000, 0.0000375700000000, 0.0024995400000000 ] - [ 0.0007874300000000, 0.0014172500000000, -0.0006776900000000 ] - [ -0.0001977800000000, 0.0037515300000000, -0.0007031300000000 ] - [ -0.0022055500000000, -0.0008379000000000, -0.0039530000000000 ] - [ 0.0000805700000000, -0.0000478200000000, 0.0003638700000000 ] - [ 0.0000227700000000, -0.0001175500000000, 0.0001190800000000 ] - [ -0.0036323400000000, -0.0025186900000000, 0.0029712800000000 ] - [ 0.0002645900000000, 0.0002375800000000, 0.0000159300000000 ] - [ -0.0004677800000000, -0.0003614300000000, 0.0001794800000000 ] - [ 0.0005567900000000, -0.0006331600000000, 0.0003616300000000 ] - [ -0.0007915400000000, -0.0000738900000000, -0.0002731000000000 ] - [ 0.0002241300000000, -0.0004992700000000, -0.0000489200000000 ] - [ 0.0001175300000000, -0.0004887900000000, 0.0001531400000000 ] - [ 0.0002045700000000, -0.0006277800000000, 0.0002391700000000 ] - [ -0.0005458100000000, 0.0003957200000000, -0.0000942000000000 ] - [ 0.0005555000000000, 0.0003324700000000, 0.0000050200000000 ] - [ -0.0004130000000000, 0.0004025900000000, 0.0001243500000000 ] - [ 0.0018120500000000, 0.0023208600000000, -0.0016350400000000 ] - [ -0.0060404900000000, 0.0108143100000000, 0.0066667000000000 ] - [ 0.0001867400000000, 0.0004619800000000, -0.0003142800000000 ] - [ -0.0005796200000000, 0.0010923900000000, 0.0014330700000000 ] - [ -0.0001685400000000, 0.0009318900000000, -0.0001914600000000 ] - [ -0.0003803100000000, -0.0002773500000000, 0.0003656100000000 ] - [ 0.0002008200000000, 0.0000621000000000, -0.0003495100000000 ] - [ -0.0003139200000000, 0.0057612800000000, -0.0009971800000000 ] - [ 0.0003787400000000, -0.0003277500000000, -0.0002004300000000 ] - [ 0.0013869600000000, -0.0063739100000000, -0.0017833000000000 ] - [ -0.0000662500000000, -0.0002620700000000, -0.0000699800000000 ] - [ -0.0002272000000000, 0.0003843600000000, -0.0000569100000000 ] - [ -0.0012191700000000, -0.0033129900000000, 0.0014895700000000 ] - [ 0.0001478100000000, 0.0003534400000000, -0.0000696700000000 ] - [ 0.0000514500000000, 0.0001700700000000, 0.0000162900000000 ] - [ -0.0003631100000000, -0.0008505500000000, 0.0006027700000000 ] - [ -0.0003959100000000, -0.0004277000000000, -0.0000477500000000 ] - [ 0.0003653400000000, -0.0003246400000000, 0.0000813400000000 ] - [ -0.0002699600000000, -0.0015973200000000, 0.0001529000000000 ] - [ 0.0481607200000000, 0.1111726000000000, -0.0736569600000000 ] - [ -0.0013267800000000, -0.0014367900000000, 0.0018368600000000 ] - [ -0.0002946100000000, -0.0003392300000000, 0.0002808700000000 ] - [ 0.0005353700000000, -0.0000916000000000, 0.0003332300000000 ] - [ -0.0006356300000000, 0.0005795300000000, -0.0014715500000000 ] - [ 0.0003851700000000, 0.0004660600000000, -0.0001596400000000 ] - [ -0.0000506200000000, 0.0002793300000000, 0.0000191900000000 ] - [ -0.0000162400000000, -0.0003465100000000, 0.0000030500000000 ] - [ 0.0024946100000000, -0.0031045200000000, -0.0048696500000000 ] - [ 0.0027968900000000, -0.0001427800000000, -0.0005480200000000 ] - [ 0.0036588800000000, -0.0033368500000000, -0.0031308700000000 ] - [ -0.0013583500000000, 0.0000652700000000, 0.0005827100000000 ] - [ 0.0012760700000000, 0.0006339600000000, -0.0013738500000000 ] - [ -0.0024510200000000, 0.0033844500000000, 0.0025390800000000 ] - [ -0.0561905200000000, -0.1669832400000000, 0.0999964700000000 ] - [ 0.0000958500000000, -0.0000823400000000, -0.0002415500000000 ] - [ -0.0013798100000000, 0.0020978500000000, 0.0005422000000000 ] - [ 0.0006161000000000, -0.0000251200000000, 0.0000362200000000 ] - [ -0.0006580300000000, -0.0006013500000000, 0.0003379900000000 ] - [ -0.0008791100000000, -0.0015101800000000, -0.0005942600000000 ] - [ 0.0217048100000000, 0.0493024600000000, -0.0332167000000000 ] - [ -0.0035986600000000, -0.0189472200000000, 0.0041456600000000 ] - [ -0.0040330700000000, 0.0088724300000000, -0.0007462200000000 ] - [ 0.0013228300000000, -0.0003580700000000, -0.0012678900000000 ] - [ -0.0004299400000000, -0.0030837400000000, -0.0048769300000000 ] - [ 0.0002634000000000, 0.0001693800000000, -0.0008398300000000 ] - [ -0.0005208000000000, -0.0005209700000000, 0.0004990200000000 ] - [ -0.0003370500000000, -0.0001482000000000, -0.0001278700000000 ] - [ 0.0019409400000000, -0.0024442100000000, -0.0002200900000000 ] - [ 0.0005035700000000, -0.0002923800000000, -0.0004111500000000 ] - [ -0.0004216800000000, -0.0001087200000000, 0.0005941600000000 ] - [ 0.0001581100000000, 0.0001503600000000, -0.0003288100000000 ] - [ 0.0002990600000000, 0.0000274800000000, 0.0001747600000000 ] - [ -0.0005367400000000, -0.0003099800000000, 0.0004207200000000 ] - [ 0.0005857400000000, -0.0000165300000000, -0.0005676100000000 ] - [ 0.0014983000000000, 0.0105313700000000, 0.0060115200000000 ] - [ 0.0004516500000000, 0.0005310100000000, 0.0002050200000000 ] - [ -0.0008909800000000, 0.0011261000000000, -0.0006297800000000 ] - [ 0.0001573300000000, 0.0005133500000000, 0.0000831100000000 ] - [ -0.0001875700000000, 0.0000579600000000, -0.0000955300000000 ] - [ 0.0003017700000000, -0.0003462700000000, 0.0006344900000000 ] - [ 0.0003850700000000, 0.0000497500000000, 0.0001162200000000 ] - [ -0.0003933200000000, 0.0000221700000000, -0.0001650600000000 ] - [ -0.0000312200000000, -0.0005678500000000, -0.0000655500000000 ] - [ -0.0014479900000000, 0.0032158200000000, 0.0021097100000000 ] - [ 0.0002769100000000, -0.0001279200000000, -0.0004992800000000 ] - [ -0.0017396700000000, 0.0014670100000000, 0.0006532400000000 ] - [ 0.0004189800000000, 0.0015900400000000, 0.0015739600000000 ]- atom: 51 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0011912000000000, -0.0006874900000000, -0.0022659900000000 ] - [ -0.0008152400000000, -0.0006728200000000, 0.0009334700000000 ] - [ 0.0002266400000000, -0.0030082400000000, 0.0004615200000000 ] - [ 0.0029635500000000, 0.0002311500000000, 0.0037407400000000 ] - [ -0.0001223100000000, -0.0007096900000000, -0.0001217800000000 ] - [ 0.0000201100000000, -0.0006387100000000, -0.0003649100000000 ] - [ 0.0028874100000000, 0.0031566100000000, -0.0027281900000000 ] - [ 0.0004753100000000, 0.0004133200000000, -0.0002534700000000 ] - [ -0.0002658000000000, -0.0003141600000000, 0.0000563100000000 ] - [ -0.0005924000000000, 0.0013981600000000, -0.0001193900000000 ] - [ 0.0008307800000000, 0.0008338500000000, 0.0000332200000000 ] - [ 0.0005125100000000, -0.0001756600000000, -0.0001861000000000 ] - [ -0.0001637100000000, -0.0002705200000000, 0.0000916200000000 ] - [ -0.0001638500000000, -0.0001321500000000, -0.0004876500000000 ] - [ -0.0001851700000000, 0.0002801200000000, 0.0003303100000000 ] - [ 0.0001721800000000, 0.0003427100000000, -0.0002424400000000 ] - [ -0.0003116300000000, 0.0002820600000000, 0.0004159600000000 ] - [ -0.0015984200000000, -0.0033293700000000, 0.0012874600000000 ] - [ 0.0053985800000000, -0.0100588100000000, -0.0066378000000000 ] - [ 0.0005469500000000, 0.0002205200000000, -0.0002264300000000 ] - [ 0.0011284600000000, -0.0002281600000000, -0.0013485400000000 ] - [ 0.0001694000000000, -0.0004870900000000, 0.0001877700000000 ] - [ -0.0003489100000000, -0.0004061500000000, 0.0001775300000000 ] - [ -0.0007517400000000, -0.0009282100000000, 0.0002300900000000 ] - [ 0.0009415000000000, -0.0066838700000000, 0.0012780600000000 ] - [ 0.0003513900000000, -0.0003557000000000, -0.0003392100000000 ] - [ -0.0021100300000000, 0.0070779200000000, 0.0023110000000000 ] - [ 0.0000664700000000, -0.0001703400000000, 0.0000695200000000 ] - [ -0.0002987900000000, 0.0004459500000000, -0.0000480700000000 ] - [ 0.0019765000000000, 0.0040284000000000, -0.0020109800000000 ] - [ 0.0003636700000000, 0.0004680600000000, 0.0001761200000000 ] - [ -0.0000506600000000, 0.0002614800000000, -0.0000171300000000 ] - [ -0.0003913100000000, 0.0001639800000000, -0.0000756500000000 ] - [ -0.0001150600000000, -0.0004079100000000, -0.0000505000000000 ] - [ 0.0001606100000000, -0.0005095900000000, 0.0000218900000000 ] - [ 0.0009997200000000, 0.0009135300000000, -0.0007083300000000 ] - [ -0.0457316600000000, -0.1089786800000000, 0.0700527300000000 ] - [ 0.0013347100000000, 0.0006052100000000, -0.0018556300000000 ] - [ 0.0002940600000000, -0.0003675700000000, 0.0000358600000000 ] - [ -0.0005400600000000, 0.0007941000000000, -0.0000194700000000 ] - [ 0.0006426700000000, -0.0012912100000000, 0.0011634500000000 ] - [ -0.0003814900000000, 0.0002399900000000, -0.0001525800000000 ] - [ 0.0000509700000000, 0.0005142700000000, -0.0000185400000000 ] - [ 0.0000172800000000, -0.0004482500000000, -0.0000039400000000 ] - [ -0.0025009000000000, 0.0023833700000000, 0.0052238900000000 ] - [ -0.0028012800000000, 0.0008623300000000, 0.0008494600000000 ] - [ -0.0036891200000000, 0.0026238300000000, 0.0028223700000000 ] - [ 0.0013693000000000, 0.0006471600000000, -0.0008961700000000 ] - [ -0.0019713500000000, -0.0006116400000000, 0.0022351900000000 ] - [ 0.0031339100000000, -0.0033499800000000, -0.0033840100000000 ] - [ 0.0540205000000000, 0.1655585100000000, -0.0957643600000000 ] - [ 0.0003432600000000, -0.0002359600000000, 0.0001755600000000 ] - [ 0.0020911400000000, -0.0021081700000000, -0.0014325100000000 ] - [ -0.0001774100000000, 0.0003448100000000, -0.0001038400000000 ] - [ 0.0002751200000000, 0.0009195400000000, 0.0001175200000000 ] - [ 0.0012492200000000, 0.0018375800000000, 0.0001319700000000 ] - [ -0.0212688600000000, -0.0474971000000000, 0.0325514500000000 ] - [ 0.0026778400000000, 0.0188341800000000, -0.0040074700000000 ] - [ 0.0033771300000000, -0.0089758300000000, 0.0016505600000000 ] - [ -0.0007055600000000, 0.0004229200000000, 0.0016050600000000 ] - [ -0.0001648300000000, 0.0032006100000000, 0.0045393200000000 ] - [ -0.0002591500000000, -0.0011520400000000, 0.0008477300000000 ] - [ 0.0000826500000000, 0.0008425600000000, -0.0004374200000000 ] - [ -0.0001044500000000, -0.0001721900000000, 0.0001934100000000 ] - [ -0.0023337200000000, 0.0021529100000000, 0.0006577400000000 ] - [ -0.0001293100000000, -0.0000232300000000, -0.0000330200000000 ] - [ -0.0002779400000000, 0.0001465200000000, 0.0002697900000000 ] - [ 0.0005390000000000, -0.0001123300000000, -0.0005346000000000 ] - [ 0.0003206800000000, -0.0000810200000000, 0.0001251800000000 ] - [ 0.0009744100000000, -0.0000216700000000, -0.0004781300000000 ] - [ 0.0001076600000000, -0.0000190700000000, -0.0002958400000000 ] - [ -0.0010988500000000, -0.0102965400000000, -0.0061381000000000 ] - [ -0.0008444000000000, -0.0002158800000000, 0.0002421000000000 ] - [ 0.0012774100000000, -0.0008143400000000, 0.0001862000000000 ] - [ -0.0001577200000000, 0.0004916300000000, -0.0000855900000000 ] - [ -0.0004358600000000, -0.0001128300000000, -0.0002062900000000 ] - [ -0.0010046000000000, 0.0003106100000000, 0.0002296200000000 ] - [ 0.0002300100000000, 0.0000009700000000, 0.0001857600000000 ] - [ -0.0002240900000000, 0.0000304100000000, -0.0001353900000000 ] - [ 0.0000325800000000, -0.0004381100000000, 0.0000636500000000 ] - [ 0.0010350900000000, -0.0028773400000000, -0.0020632400000000 ] - [ -0.0007176400000000, -0.0002018100000000, 0.0005673700000000 ] - [ 0.0013677400000000, -0.0017894400000000, -0.0002014200000000 ] - [ -0.0000395800000000, -0.0019149300000000, -0.0020454000000000 ]- atom: 51 displacement: [ -0.0029959570305193, 0.0000000000000000, 0.0095406625279003 ] forces: - [ -0.0018054700000000, 0.0010104400000000, -0.0030802700000000 ] - [ 0.0027915500000000, -0.0003906100000000, 0.0032121400000000 ] - [ -0.0002873000000000, 0.0007815700000000, 0.0049620100000000 ] - [ -0.0027895500000000, -0.0039683400000000, 0.0013075900000000 ] - [ -0.0011210300000000, -0.0007312700000000, -0.0016612500000000 ] - [ 0.0008694500000000, -0.0004325600000000, -0.0017970700000000 ] - [ 0.0020094600000000, 0.0045993400000000, 0.0000199300000000 ] - [ 0.0019858400000000, -0.0014299900000000, -0.0023911600000000 ] - [ -0.0001255500000000, -0.0004743400000000, -0.0001187900000000 ] - [ -0.0003926400000000, 0.0001132000000000, 0.0012344800000000 ] - [ 0.0011532300000000, 0.0007266000000000, 0.0001113600000000 ] - [ 0.0011839400000000, 0.0000459400000000, -0.0002896300000000 ] - [ 0.0000976200000000, -0.0004580800000000, -0.0008364500000000 ] - [ -0.0003574300000000, -0.0001885300000000, -0.0004134300000000 ] - [ -0.0001820400000000, 0.0000972700000000, 0.0005825000000000 ] - [ -0.0001770800000000, 0.0003349900000000, 0.0000728600000000 ] - [ 0.0002299500000000, 0.0003449800000000, 0.0008756400000000 ] - [ -0.0039369100000000, 0.0000245800000000, 0.0099875800000000 ] - [ -0.0133788800000000, 0.0072428900000000, 0.0176927100000000 ] - [ 0.0006197100000000, 0.0004683000000000, 0.0003062700000000 ] - [ 0.0034636800000000, 0.0021738600000000, -0.0047142400000000 ] - [ 0.0006844800000000, -0.0012311100000000, -0.0026746800000000 ] - [ -0.0005009000000000, -0.0003983200000000, -0.0001411600000000 ] - [ -0.0027833400000000, -0.0027041100000000, -0.0050146700000000 ] - [ -0.0010961200000000, -0.0007030500000000, 0.0082406400000000 ] - [ 0.0005348500000000, -0.0002349900000000, -0.0007905700000000 ] - [ -0.0021520600000000, 0.0014657600000000, 0.0039955900000000 ] - [ 0.0005533100000000, -0.0002960800000000, 0.0004472800000000 ] - [ -0.0000134600000000, 0.0005484400000000, 0.0001393600000000 ] - [ 0.0015503700000000, 0.0025285400000000, -0.0018018000000000 ] - [ -0.0001666000000000, 0.0004238600000000, 0.0000331100000000 ] - [ -0.0001769400000000, 0.0002578700000000, -0.0002599100000000 ] - [ -0.0000949900000000, -0.0001063200000000, -0.0015335300000000 ] - [ -0.0001160100000000, -0.0003234000000000, -0.0001233600000000 ] - [ 0.0007629800000000, -0.0006517300000000, 0.0000499400000000 ] - [ -0.0002305800000000, 0.0001076700000000, -0.0008503200000000 ] - [ -0.0923673200000000, -0.0779659800000000, 0.1641383900000000 ] - [ 0.0079354900000000, 0.0038761200000000, -0.0093650100000000 ] - [ 0.0019901700000000, 0.0006012300000000, 0.0006727600000000 ] - [ -0.0014798400000000, 0.0016070800000000, -0.0007494400000000 ] - [ 0.0039848100000000, -0.0033339900000000, 0.0031322500000000 ] - [ -0.0019528700000000, -0.0011264800000000, -0.0017547800000000 ] - [ -0.0000593300000000, 0.0006097100000000, 0.0003014700000000 ] - [ 0.0002041200000000, -0.0004625300000000, -0.0004254400000000 ] - [ -0.0027557900000000, -0.0001056100000000, 0.0008395200000000 ] - [ 0.0024172100000000, 0.0003088500000000, -0.0022580700000000 ] - [ -0.0026296300000000, 0.0000880800000000, 0.0060706600000000 ] - [ 0.0021820100000000, 0.0003530000000000, -0.0035302200000000 ] - [ -0.0026444700000000, -0.0015311100000000, 0.0038143600000000 ] - [ -0.0012717100000000, 0.0033553800000000, 0.0004642900000000 ] - [ 0.1598922100000000, 0.1059481400000000, -0.2812270700000000 ] - [ 0.0007921800000000, -0.0004957900000000, 0.0008667500000000 ] - [ 0.0020336900000000, 0.0009966700000000, 0.0008112500000000 ] - [ -0.0011870500000000, 0.0000537200000000, -0.0007889900000000 ] - [ 0.0026717200000000, 0.0008174300000000, 0.0023943800000000 ] - [ 0.0044176700000000, -0.0001229500000000, 0.0000681800000000 ] - [ -0.0045529300000000, -0.0302809100000000, -0.0016653700000000 ] - [ -0.0437917800000000, -0.0048033600000000, 0.0575486500000000 ] - [ 0.0036102500000000, -0.0046999700000000, -0.0026630500000000 ] - [ -0.0041496600000000, 0.0017016600000000, 0.0107937800000000 ] - [ -0.0034119500000000, -0.0044336800000000, 0.0266981200000000 ] - [ -0.0013335200000000, -0.0032430700000000, 0.0033964600000000 ] - [ -0.0010049500000000, 0.0010738800000000, -0.0024725400000000 ] - [ -0.0000389800000000, 0.0003126100000000, 0.0017843900000000 ] - [ -0.0085185900000000, 0.0007430700000000, -0.0000559300000000 ] - [ -0.0030366200000000, -0.0003039200000000, 0.0011182700000000 ] - [ 0.0005634300000000, 0.0003032400000000, 0.0005165100000000 ] - [ 0.0011091400000000, -0.0006577500000000, -0.0007791100000000 ] - [ -0.0001205100000000, 0.0000009200000000, -0.0002752800000000 ] - [ -0.0004919600000000, -0.0001585500000000, 0.0025367600000000 ] - [ -0.0009331700000000, -0.0004784900000000, -0.0001634800000000 ] - [ 0.0025782700000000, -0.0000372500000000, -0.0034040900000000 ] - [ -0.0008895400000000, 0.0001891300000000, 0.0012200100000000 ] - [ -0.0012040900000000, -0.0000071200000000, -0.0000225500000000 ] - [ -0.0005130700000000, 0.0003388300000000, -0.0005885300000000 ] - [ -0.0002192900000000, -0.0000423400000000, -0.0005188000000000 ] - [ -0.0029452900000000, 0.0010465700000000, 0.0003236000000000 ] - [ 0.0003405200000000, 0.0000834600000000, 0.0005420100000000 ] - [ -0.0006438900000000, 0.0000390400000000, 0.0001717900000000 ] - [ 0.0000981300000000, -0.0004523000000000, 0.0004782400000000 ] - [ -0.0010913900000000, 0.0013709000000000, -0.0041291900000000 ] - [ -0.0002989600000000, 0.0009029100000000, 0.0030070300000000 ] - [ 0.0003569300000000, -0.0002176700000000, -0.0016657900000000 ] - [ 0.0017546800000000, -0.0003341000000000, 0.0000141700000000 ]- atom: 51 displacement: [ 0.0029959570305193, 0.0000000000000000, -0.0095406625279003 ] forces: - [ 0.0010905100000000, -0.0016980900000000, 0.0033128400000000 ] - [ -0.0028150100000000, 0.0011572800000000, -0.0030070200000000 ] - [ 0.0003003400000000, -0.0000176600000000, -0.0051988500000000 ] - [ 0.0035418900000000, 0.0033294500000000, -0.0014968800000000 ] - [ 0.0010669700000000, -0.0000287300000000, 0.0019088700000000 ] - [ -0.0008158900000000, -0.0003265600000000, 0.0015558100000000 ] - [ -0.0027815600000000, -0.0039556100000000, 0.0002653500000000 ] - [ -0.0012591000000000, 0.0021240800000000, 0.0021546000000000 ] - [ -0.0006128800000000, -0.0001957400000000, 0.0003570000000000 ] - [ 0.0003459100000000, 0.0006453300000000, -0.0009888300000000 ] - [ -0.0011080800000000, 0.0000283000000000, -0.0003591400000000 ] - [ -0.0004514000000000, -0.0007165500000000, 0.0000530700000000 ] - [ -0.0001408600000000, -0.0002984600000000, 0.0010764900000000 ] - [ 0.0003991200000000, -0.0005707200000000, 0.0001779000000000 ] - [ -0.0005525700000000, 0.0005763100000000, -0.0003522000000000 ] - [ 0.0009012400000000, 0.0003355200000000, -0.0003115800000000 ] - [ -0.0009542300000000, 0.0003422200000000, -0.0003369700000000 ] - [ 0.0040444900000000, -0.0007104700000000, -0.0101560500000000 ] - [ 0.0119319700000000, -0.0057848400000000, -0.0169684800000000 ] - [ 0.0001101500000000, 0.0002196400000000, -0.0008478000000000 ] - [ -0.0029445600000000, -0.0013549700000000, 0.0048161000000000 ] - [ -0.0006831000000000, 0.0016544000000000, 0.0026743300000000 ] - [ -0.0002313200000000, -0.0002841900000000, 0.0006878100000000 ] - [ 0.0022639300000000, 0.0018824000000000, 0.0049221900000000 ] - [ 0.0018706200000000, -0.0003334200000000, -0.0078166400000000 ] - [ 0.0001966200000000, -0.0004477700000000, 0.0002480300000000 ] - [ 0.0014080500000000, -0.0007722000000000, -0.0034413100000000 ] - [ -0.0005558500000000, -0.0001391400000000, -0.0004489300000000 ] - [ -0.0005075700000000, 0.0002873500000000, -0.0002375100000000 ] - [ -0.0007814000000000, -0.0018297000000000, 0.0012756400000000 ] - [ 0.0006741500000000, 0.0004014400000000, 0.0000751000000000 ] - [ 0.0001794700000000, 0.0001761700000000, 0.0002599800000000 ] - [ -0.0006541900000000, -0.0005826200000000, 0.0020496700000000 ] - [ -0.0004013100000000, -0.0005126700000000, 0.0000222100000000 ] - [ -0.0002345200000000, -0.0001854200000000, 0.0000464600000000 ] - [ 0.0009503800000000, -0.0007964100000000, 0.0003209100000000 ] - [ 0.0984533300000000, 0.0862745000000000, -0.1723527600000000 ] - [ -0.0079235300000000, -0.0046530100000000, 0.0093752300000000 ] - [ -0.0020243900000000, -0.0013286900000000, -0.0003735300000000 ] - [ 0.0014909400000000, -0.0009131900000000, 0.0010731300000000 ] - [ -0.0039681500000000, 0.0026118900000000, -0.0034298500000000 ] - [ 0.0019696300000000, 0.0018451400000000, 0.0014438600000000 ] - [ 0.0000591400000000, 0.0001933200000000, -0.0003012500000000 ] - [ -0.0002036700000000, -0.0003364000000000, 0.0004253500000000 ] - [ 0.0027606900000000, -0.0006111700000000, -0.0005798300000000 ] - [ -0.0024295400000000, 0.0004044300000000, 0.0025768200000000 ] - [ 0.0026727000000000, -0.0008197700000000, -0.0063953400000000 ] - [ -0.0021776000000000, 0.0003611700000000, 0.0032227400000000 ] - [ 0.0019423000000000, 0.0015758100000000, -0.0029447500000000 ] - [ 0.0019816400000000, -0.0033090600000000, -0.0013448300000000 ] - [ -0.1657842800000000, -0.1139410600000000, 0.2893111100000000 ] - [ -0.0003525400000000, 0.0001794900000000, -0.0009442500000000 ] - [ -0.0013501400000000, -0.0010444300000000, -0.0016533700000000 ] - [ 0.0016370400000000, 0.0002767500000000, 0.0007389800000000 ] - [ -0.0030830500000000, -0.0005052300000000, -0.0019436600000000 ] - [ -0.0040636300000000, 0.0004398000000000, -0.0005521500000000 ] - [ 0.0045045900000000, 0.0313059100000000, 0.0019536500000000 ] - [ 0.0442679200000000, 0.0048577700000000, -0.0590788800000000 ] - [ -0.0043257000000000, 0.0047170200000000, 0.0034961500000000 ] - [ 0.0047417500000000, -0.0016504400000000, -0.0105089200000000 ] - [ 0.0028198900000000, 0.0044700400000000, -0.0266410900000000 ] - [ 0.0013352400000000, 0.0022149500000000, -0.0034020300000000 ] - [ 0.0005702000000000, -0.0007468700000000, 0.0025269000000000 ] - [ -0.0004076000000000, -0.0006373700000000, -0.0017235400000000 ] - [ 0.0080805900000000, -0.0010505000000000, 0.0004871700000000 ] - [ 0.0034706700000000, -0.0000056600000000, -0.0015653500000000 ] - [ -0.0012687600000000, -0.0002728500000000, 0.0003524200000000 ] - [ -0.0004160800000000, 0.0006952700000000, -0.0000840200000000 ] - [ 0.0007370900000000, -0.0000514800000000, 0.0005771000000000 ] - [ 0.0009274700000000, -0.0001607300000000, -0.0026049800000000 ] - [ 0.0016496800000000, 0.0004523000000000, -0.0007026900000000 ] - [ -0.0021211600000000, 0.0004172600000000, 0.0033925400000000 ] - [ 0.0005015800000000, 0.0001239700000000, -0.0007722200000000 ] - [ 0.0015948400000000, 0.0003216200000000, -0.0004287500000000 ] - [ 0.0005164400000000, 0.0006581800000000, 0.0005882600000000 ] - [ -0.0003969100000000, -0.0000095500000000, 0.0002187400000000 ] - [ 0.0022354200000000, -0.0010756700000000, 0.0005420400000000 ] - [ 0.0002792700000000, -0.0000319400000000, -0.0002415500000000 ] - [ 0.0000241000000000, 0.0000138800000000, -0.0004737400000000 ] - [ -0.0000974400000000, -0.0005476400000000, -0.0004825000000000 ] - [ 0.0006362900000000, -0.0010424800000000, 0.0042134700000000 ] - [ -0.0001361200000000, -0.0012210300000000, -0.0029527000000000 ] - [ -0.0007666400000000, -0.0000900000000000, 0.0021120100000000 ] - [ -0.0013539100000000, 0.0000278000000000, -0.0004413600000000 ]- atom: 52 displacement: [ 0.0099999877275060, 0.0000000000000000, -0.0000156668353337 ] forces: - [ -0.0013493500000000, -0.0004112300000000, -0.0001014700000000 ] - [ 0.0016607900000000, -0.0003638300000000, 0.0005338500000000 ] - [ -0.0008918500000000, 0.0003222700000000, -0.0009317600000000 ] - [ -0.0004456400000000, 0.0006098300000000, -0.0006046400000000 ] - [ 0.0069831200000000, -0.0030512100000000, -0.0000161500000000 ] - [ -0.0014471900000000, -0.0006126700000000, -0.0001272400000000 ] - [ -0.0013702800000000, 0.0002190500000000, -0.0003798300000000 ] - [ -0.0003449100000000, 0.0001885000000000, 0.0005407800000000 ] - [ 0.0034116700000000, -0.0003897200000000, 0.0016352900000000 ] - [ -0.0005017600000000, 0.0003594300000000, -0.0001568600000000 ] - [ 0.0007907600000000, 0.0005884100000000, 0.0003902100000000 ] - [ -0.0012944700000000, 0.0001272700000000, 0.0004976100000000 ] - [ -0.0012828800000000, 0.0000961300000000, -0.0001063500000000 ] - [ 0.0046781700000000, 0.0010505500000000, 0.0001058500000000 ] - [ 0.0018881400000000, -0.0002777000000000, 0.0010196700000000 ] - [ 0.0002523700000000, -0.0001387800000000, -0.0008665000000000 ] - [ -0.0012219000000000, -0.0010255400000000, 0.0023017600000000 ] - [ -0.0004879600000000, -0.0003590300000000, -0.0006065600000000 ] - [ -0.0012608800000000, 0.0006116600000000, -0.0005799200000000 ] - [ 0.0012690100000000, -0.0001872600000000, -0.0007353400000000 ] - [ -0.0001582100000000, 0.0004805100000000, 0.0002615300000000 ] - [ -0.0009536000000000, 0.0006166300000000, -0.0000113400000000 ] - [ 0.0095839400000000, 0.0038574300000000, 0.0033604700000000 ] - [ -0.0014875000000000, -0.0004260700000000, -0.0002214700000000 ] - [ -0.0022330800000000, -0.0003499600000000, -0.0026477200000000 ] - [ -0.0030679900000000, -0.0029705100000000, 0.0009005500000000 ] - [ -0.0010852500000000, 0.0003139700000000, -0.0001648800000000 ] - [ 0.0003568400000000, -0.0000834500000000, 0.0005128300000000 ] - [ 0.0009418700000000, 0.0032166200000000, 0.0012225200000000 ] - [ -0.0000556600000000, 0.0005046200000000, -0.0003488600000000 ] - [ 0.0001525500000000, 0.0013091300000000, -0.0008497500000000 ] - [ 0.0107647800000000, -0.0016406200000000, 0.0003198100000000 ] - [ -0.0012375400000000, -0.0004862900000000, 0.0003423900000000 ] - [ 0.0013208400000000, -0.0004462800000000, -0.0000572000000000 ] - [ -0.0003632400000000, -0.0005020800000000, 0.0004643800000000 ] - [ -0.0008084200000000, -0.0010006300000000, -0.0007110900000000 ] - [ -0.0002963400000000, 0.0006315000000000, -0.0006242700000000 ] - [ -0.0019550100000000, -0.0004807600000000, 0.0019961700000000 ] - [ 0.0029998900000000, 0.0014889000000000, 0.0023716600000000 ] - [ 0.0612068800000000, 0.0043806000000000, -0.0181859800000000 ] - [ -0.0020239200000000, 0.0003927700000000, 0.0001254500000000 ] - [ -0.0037831300000000, -0.0016340800000000, -0.0020819400000000 ] - [ -0.0002145900000000, 0.0010284700000000, 0.0005466600000000 ] - [ 0.0011106200000000, -0.0015504500000000, -0.0005282100000000 ] - [ -0.0017139200000000, -0.0009345400000000, -0.0006153500000000 ] - [ -0.0019598200000000, 0.0008959300000000, -0.0000120900000000 ] - [ 0.0022066300000000, -0.0010375100000000, -0.0017050500000000 ] - [ -0.0010138700000000, 0.0002897400000000, 0.0010986300000000 ] - [ 0.0008137600000000, -0.0000490200000000, -0.0001285800000000 ] - [ 0.0020558600000000, -0.0001650300000000, -0.0003931400000000 ] - [ 0.0014707400000000, -0.0001504000000000, 0.0011161000000000 ] - [ -0.0982303800000000, 0.0048236400000000, 0.0239073600000000 ] - [ 0.0017989800000000, 0.0000050000000000, -0.0004051200000000 ] - [ -0.0013409900000000, 0.0003788900000000, -0.0022509100000000 ] - [ 0.0027082900000000, 0.0016375700000000, 0.0015671600000000 ] - [ -0.0072755500000000, -0.0154614300000000, 0.0271246100000000 ] - [ 0.0006421500000000, 0.0002429600000000, 0.0005722200000000 ] - [ 0.0003359600000000, 0.0000897800000000, 0.0002449600000000 ] - [ -0.0002024000000000, 0.0014751300000000, 0.0026987400000000 ] - [ 0.0019264500000000, -0.0003675900000000, -0.0008164300000000 ] - [ 0.0028667900000000, -0.0002689100000000, 0.0000153500000000 ] - [ 0.0018388800000000, -0.0001256800000000, -0.0001588200000000 ] - [ 0.0002147300000000, 0.0003167300000000, 0.0000528900000000 ] - [ 0.0038548100000000, 0.0000161200000000, 0.0013556500000000 ] - [ 0.0016543100000000, -0.0004748100000000, 0.0006379600000000 ] - [ -0.0007697000000000, -0.0018123200000000, -0.0034420800000000 ] - [ 0.0030664700000000, 0.0005052500000000, 0.0054755900000000 ] - [ 0.0077244200000000, 0.0055415200000000, -0.0422843800000000 ] - [ 0.0000735500000000, -0.0007820600000000, -0.0006686000000000 ] - [ 0.0014871000000000, -0.0001682000000000, 0.0001619600000000 ] - [ -0.0028038900000000, -0.0004660300000000, -0.0008368000000000 ] - [ 0.0012045400000000, 0.0002132400000000, 0.0008673800000000 ] - [ -0.0007058800000000, 0.0016631000000000, -0.0014771300000000 ] - [ 0.0018596600000000, -0.0003156000000000, 0.0000691100000000 ] - [ 0.0001952200000000, 0.0002430400000000, -0.0011602300000000 ] - [ -0.0006469900000000, -0.0005240500000000, -0.0003424000000000 ] - [ 0.0016510600000000, 0.0005687900000000, -0.0006254200000000 ] - [ -0.0018460000000000, -0.0012639700000000, 0.0019379400000000 ] - [ 0.0002712900000000, -0.0012218200000000, -0.0008734300000000 ] - [ 0.0001459900000000, 0.0037757000000000, 0.0002624600000000 ] - [ -0.0009459100000000, 0.0000498600000000, 0.0006955000000000 ] - [ 0.0005994700000000, -0.0006369100000000, -0.0007072500000000 ] - [ -0.0026226300000000, -0.0005815600000000, 0.0005403700000000 ] - [ 0.0016611100000000, 0.0000692800000000, 0.0006971600000000 ]- atom: 52 displacement: [ -0.0099999877275060, 0.0000000000000000, 0.0000156668353337 ] forces: - [ 0.0006229100000000, -0.0002600600000000, 0.0003375500000000 ] - [ -0.0017007600000000, 0.0011173400000000, -0.0003179700000000 ] - [ 0.0009313900000000, 0.0004359200000000, 0.0006861000000000 ] - [ 0.0011543100000000, -0.0012641700000000, 0.0003729200000000 ] - [ -0.0073723700000000, 0.0026213500000000, 0.0003765200000000 ] - [ 0.0014898100000000, -0.0001483000000000, -0.0001123100000000 ] - [ 0.0006418900000000, 0.0004511400000000, 0.0006207700000000 ] - [ 0.0010793800000000, 0.0004835800000000, -0.0007871300000000 ] - [ -0.0041457700000000, -0.0002913200000000, -0.0013781800000000 ] - [ 0.0004590200000000, 0.0004000800000000, 0.0003989300000000 ] - [ -0.0007406700000000, 0.0001701300000000, -0.0006411700000000 ] - [ 0.0020334800000000, -0.0008009800000000, -0.0007298800000000 ] - [ 0.0012381200000000, -0.0008502100000000, 0.0003500400000000 ] - [ -0.0046526100000000, -0.0018942300000000, -0.0003370800000000 ] - [ -0.0025994800000000, 0.0009658900000000, -0.0007861100000000 ] - [ 0.0004728900000000, 0.0008066000000000, 0.0006284100000000 ] - [ 0.0005085500000000, 0.0017190800000000, -0.0017850800000000 ] - [ 0.0004833700000000, -0.0000769700000000, 0.0006032800000000 ] - [ 0.0007372900000000, 0.0002210200000000, 0.0004794000000000 ] - [ -0.0005385300000000, 0.0008722800000000, 0.0001854400000000 ] - [ 0.0006898400000000, 0.0003606500000000, -0.0001684300000000 ] - [ 0.0009553500000000, -0.0001840400000000, 0.0000117200000000 ] - [ -0.0102717600000000, -0.0043688200000000, -0.0026320300000000 ] - [ 0.0009592200000000, -0.0004143700000000, 0.0001187700000000 ] - [ 0.0027375000000000, -0.0005109100000000, 0.0027869200000000 ] - [ 0.0037844700000000, 0.0022697500000000, -0.0014000500000000 ] - [ 0.0003437600000000, 0.0003844600000000, 0.0006975100000000 ] - [ -0.0003562500000000, -0.0003498400000000, -0.0005164900000000 ] - [ -0.0014555500000000, -0.0024045100000000, -0.0013299100000000 ] - [ 0.0008001600000000, 0.0001910700000000, -0.0001880100000000 ] - [ 0.0003652700000000, -0.0004766600000000, 0.0009557000000000 ] - [ -0.0099945300000000, 0.0016182700000000, -0.0002389400000000 ] - [ 0.0004924500000000, -0.0002006600000000, 0.0001823200000000 ] - [ -0.0018485700000000, -0.0003882900000000, -0.0000444200000000 ] - [ 0.0008876300000000, -0.0003321700000000, -0.0003637500000000 ] - [ 0.0015442800000000, 0.0003192700000000, 0.0001732600000000 ] - [ 0.0002952700000000, 0.0001693000000000, 0.0006147500000000 ] - [ 0.0019656800000000, -0.0003258600000000, -0.0019983000000000 ] - [ -0.0030190500000000, -0.0022141200000000, -0.0020831500000000 ] - [ -0.0615513100000000, -0.0040088400000000, 0.0193827500000000 ] - [ 0.0020470900000000, -0.0011109000000000, -0.0004414200000000 ] - [ 0.0037796600000000, 0.0023386600000000, 0.0017599900000000 ] - [ 0.0002190800000000, -0.0002293700000000, -0.0005560500000000 ] - [ -0.0011105900000000, 0.0007655600000000, 0.0005273700000000 ] - [ 0.0017015900000000, 0.0002201500000000, 0.0009194900000000 ] - [ 0.0019467300000000, -0.0001809100000000, 0.0003285100000000 ] - [ -0.0022173400000000, 0.0003263000000000, 0.0013924400000000 ] - [ 0.0010367200000000, 0.0004317600000000, -0.0014050500000000 ] - [ -0.0015206300000000, 0.0000793400000000, 0.0009991800000000 ] - [ -0.0013480000000000, 0.0001979600000000, -0.0004792400000000 ] - [ -0.0008405400000000, 0.0000975600000000, -0.0008063200000000 ] - [ 0.0984175500000000, -0.0047970200000000, -0.0249557000000000 ] - [ -0.0010979200000000, -0.0000376200000000, -0.0004542900000000 ] - [ 0.0017816500000000, -0.0000503100000000, 0.0022084200000000 ] - [ -0.0030988300000000, -0.0013168700000000, -0.0011148900000000 ] - [ 0.0078761500000000, 0.0157883700000000, -0.0275124200000000 ] - [ -0.0006403000000000, 0.0007614800000000, -0.0005639600000000 ] - [ -0.0009521400000000, -0.0001413500000000, -0.0005372900000000 ] - [ -0.0004918700000000, -0.0015122400000000, -0.0018509700000000 ] - [ -0.0013095100000000, 0.0004241500000000, 0.0011230800000000 ] - [ -0.0034906100000000, 0.0003343100000000, -0.0003342400000000 ] - [ -0.0018473000000000, -0.0008758500000000, 0.0001545900000000 ] - [ -0.0006594500000000, 0.0000096800000000, 0.0000166800000000 ] - [ -0.0042680600000000, -0.0003416600000000, -0.0012975000000000 ] - [ -0.0020560300000000, 0.0001642600000000, -0.0001943600000000 ] - [ 0.0011661300000000, 0.0015095600000000, 0.0030149700000000 ] - [ -0.0037461600000000, -0.0004684000000000, -0.0045743300000000 ] - [ -0.0070920300000000, -0.0055030400000000, 0.0410327800000000 ] - [ 0.0005389600000000, 0.0007300100000000, 0.0009765100000000 ] - [ -0.0010484200000000, -0.0001573800000000, -0.0002293900000000 ] - [ 0.0035019300000000, 0.0004456800000000, -0.0000252300000000 ] - [ -0.0007605700000000, 0.0001115300000000, -0.0009239100000000 ] - [ 0.0003040500000000, -0.0013661800000000, 0.0019329000000000 ] - [ -0.0014662000000000, 0.0006284400000000, -0.0005183600000000 ] - [ -0.0001977600000000, 0.0007589700000000, 0.0011711900000000 ] - [ 0.0000254100000000, 0.0004704500000000, 0.0000479200000000 ] - [ -0.0023701800000000, -0.0006067200000000, 0.0014963700000000 ] - [ 0.0024605800000000, 0.0013147500000000, -0.0016460400000000 ] - [ -0.0008930500000000, 0.0012692900000000, 0.0005587700000000 ] - [ -0.0001513000000000, -0.0047566300000000, -0.0002717000000000 ] - [ 0.0005114700000000, 0.0002786800000000, -0.0006241700000000 ] - [ -0.0010400700000000, 0.0003069800000000, 0.0007610000000000 ] - [ 0.0022372000000000, 0.0002614200000000, -0.0000879700000000 ] - [ -0.0012631600000000, -0.0003847100000000, -0.0011420400000000 ]- atom: 52 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0003610000000000, -0.0004974700000000, 0.0002490900000000 ] - [ -0.0003970400000000, 0.0008720400000000, 0.0014125600000000 ] - [ 0.0001727300000000, 0.0004810700000000, -0.0000283700000000 ] - [ 0.0013473100000000, -0.0024599500000000, -0.0001641100000000 ] - [ -0.0031844800000000, 0.0058502700000000, 0.0001684400000000 ] - [ -0.0000166300000000, -0.0003760900000000, -0.0001432300000000 ] - [ -0.0003538700000000, 0.0005727200000000, 0.0000483500000000 ] - [ -0.0000597700000000, 0.0007782500000000, 0.0002550000000000 ] - [ 0.0000242700000000, 0.0029433100000000, 0.0012312000000000 ] - [ 0.0000758100000000, 0.0002832400000000, 0.0002029400000000 ] - [ 0.0000200200000000, 0.0000505600000000, 0.0000729400000000 ] - [ 0.0002978900000000, -0.0000448600000000, -0.0002581700000000 ] - [ 0.0004269300000000, -0.0003944300000000, 0.0001521300000000 ] - [ 0.0012741200000000, 0.0057746600000000, 0.0000066400000000 ] - [ -0.0014129500000000, -0.0013638100000000, 0.0006320800000000 ] - [ 0.0002461400000000, -0.0004331200000000, -0.0001789400000000 ] - [ -0.0010454600000000, -0.0000010200000000, 0.0003695200000000 ] - [ 0.0001685500000000, 0.0003400600000000, 0.0001023300000000 ] - [ 0.0000193900000000, 0.0002491700000000, -0.0001627600000000 ] - [ 0.0001008900000000, 0.0008262800000000, -0.0004468900000000 ] - [ 0.0003234100000000, 0.0001246900000000, 0.0002681000000000 ] - [ 0.0000604100000000, -0.0000860000000000, -0.0001483100000000 ] - [ 0.0033850700000000, 0.0115840800000000, 0.0050890000000000 ] - [ -0.0001951500000000, -0.0002571400000000, 0.0001112800000000 ] - [ 0.0019316600000000, 0.0018067300000000, -0.0009143000000000 ] - [ -0.0013667300000000, -0.0003694600000000, 0.0004688000000000 ] - [ -0.0004300400000000, 0.0000624600000000, 0.0001250600000000 ] - [ -0.0001898800000000, -0.0007404200000000, -0.0002532800000000 ] - [ 0.0012804800000000, 0.0006276500000000, -0.0029009700000000 ] - [ 0.0002179600000000, 0.0002244000000000, -0.0001010300000000 ] - [ 0.0011844900000000, 0.0008325200000000, 0.0012189900000000 ] - [ 0.0000961400000000, 0.0078453500000000, -0.0004562600000000 ] - [ -0.0004873900000000, -0.0003359400000000, 0.0002553900000000 ] - [ -0.0005013300000000, -0.0022832700000000, 0.0008298000000000 ] - [ 0.0004023500000000, -0.0007326400000000, -0.0001308600000000 ] - [ -0.0004655500000000, -0.0007447100000000, -0.0005342600000000 ] - [ 0.0002778000000000, -0.0004110900000000, 0.0008348100000000 ] - [ 0.0002318300000000, 0.0009887300000000, -0.0005869400000000 ] - [ 0.0019191400000000, 0.0002083700000000, -0.0003535200000000 ] - [ 0.0042859700000000, 0.0723783800000000, -0.0539562300000000 ] - [ -0.0000080300000000, -0.0003579300000000, -0.0001823300000000 ] - [ -0.0000546100000000, 0.0007069200000000, -0.0000793600000000 ] - [ -0.0002683000000000, 0.0011472800000000, 0.0006239800000000 ] - [ 0.0033502300000000, -0.0102995100000000, -0.0038359100000000 ] - [ 0.0002897100000000, -0.0001354800000000, 0.0004202500000000 ] - [ 0.0001626900000000, 0.0002628600000000, 0.0001042600000000 ] - [ -0.0008885900000000, 0.0015470900000000, -0.0023894200000000 ] - [ -0.0021009100000000, -0.0011323000000000, -0.0013134600000000 ] - [ 0.0008300800000000, 0.0004819000000000, 0.0002884500000000 ] - [ 0.0002689200000000, 0.0003027000000000, -0.0002719000000000 ] - [ -0.0007631500000000, 0.0000501600000000, -0.0005379100000000 ] - [ 0.0052197500000000, -0.1057917200000000, 0.0830329500000000 ] - [ 0.0002665400000000, -0.0001778600000000, -0.0005366700000000 ] - [ 0.0000042100000000, 0.0005912000000000, 0.0002374400000000 ] - [ -0.0004637800000000, 0.0000633200000000, 0.0000738400000000 ] - [ -0.0129077600000000, 0.0015885100000000, -0.0326478600000000 ] - [ -0.0001143200000000, 0.0011871900000000, -0.0002413000000000 ] - [ -0.0006179700000000, -0.0000147900000000, -0.0007447600000000 ] - [ 0.0004273300000000, -0.0004329700000000, 0.0018708400000000 ] - [ 0.0001411900000000, -0.0001573500000000, 0.0002143600000000 ] - [ -0.0014983200000000, -0.0006537500000000, 0.0004254400000000 ] - [ 0.0005998700000000, -0.0012599700000000, 0.0002086900000000 ] - [ -0.0000682500000000, 0.0002971400000000, 0.0001213400000000 ] - [ -0.0004030400000000, -0.0013300800000000, 0.0001388900000000 ] - [ -0.0003207700000000, -0.0002345200000000, 0.0002760400000000 ] - [ -0.0004289300000000, -0.0012970000000000, -0.0002357400000000 ] - [ -0.0002393500000000, -0.0020036100000000, 0.0006198300000000 ] - [ 0.0023722000000000, -0.0165117500000000, -0.0031697400000000 ] - [ 0.0003982600000000, -0.0001684200000000, 0.0001808200000000 ] - [ 0.0002140400000000, -0.0000354700000000, 0.0000340000000000 ] - [ 0.0000139200000000, 0.0011238700000000, 0.0029872700000000 ] - [ 0.0001702300000000, -0.0000624600000000, -0.0001673700000000 ] - [ 0.0017650600000000, 0.0025444500000000, -0.0010900400000000 ] - [ -0.0000310500000000, 0.0001775700000000, -0.0001604200000000 ] - [ 0.0002560700000000, -0.0001496900000000, -0.0004792900000000 ] - [ -0.0003165800000000, 0.0000122300000000, -0.0012589300000000 ] - [ -0.0002860400000000, 0.0000927500000000, 0.0004075100000000 ] - [ -0.0065870700000000, 0.0104036300000000, -0.0017604600000000 ] - [ -0.0022830400000000, 0.0030788600000000, 0.0004798800000000 ] - [ 0.0041676300000000, 0.0098174300000000, 0.0017524300000000 ] - [ -0.0003326100000000, -0.0013512500000000, 0.0007239900000000 ] - [ 0.0002441800000000, 0.0021418900000000, 0.0006026700000000 ] - [ 0.0009428100000000, 0.0019252900000000, 0.0035108200000000 ] - [ -0.0004259200000000, -0.0001599500000000, -0.0006191300000000 ]- atom: 52 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0003711400000000, -0.0001725200000000, -0.0000139600000000 ] - [ 0.0003452200000000, -0.0001158200000000, -0.0011910600000000 ] - [ -0.0001303300000000, 0.0002788800000000, -0.0002136300000000 ] - [ -0.0006140500000000, 0.0018009700000000, -0.0000646800000000 ] - [ 0.0028964200000000, -0.0064450600000000, 0.0001426500000000 ] - [ 0.0000600900000000, -0.0003805100000000, -0.0000970000000000 ] - [ -0.0003790900000000, 0.0000972000000000, 0.0001864400000000 ] - [ 0.0007956500000000, -0.0001089600000000, -0.0004909000000000 ] - [ -0.0007684200000000, -0.0036301100000000, -0.0009369200000000 ] - [ -0.0001179300000000, 0.0004769600000000, 0.0000369000000000 ] - [ 0.0000221000000000, 0.0007103300000000, -0.0003183500000000 ] - [ 0.0004490500000000, -0.0006345800000000, 0.0000258200000000 ] - [ -0.0004772100000000, -0.0003676400000000, 0.0000902400000000 ] - [ -0.0015121300000000, -0.0071908400000000, -0.0003129000000000 ] - [ 0.0006761000000000, 0.0020557800000000, -0.0003840300000000 ] - [ 0.0004786700000000, 0.0011086900000000, -0.0000662400000000 ] - [ 0.0003319100000000, 0.0006977600000000, 0.0001482700000000 ] - [ -0.0001691100000000, -0.0007758500000000, -0.0001018600000000 ] - [ -0.0005377600000000, 0.0005828300000000, 0.0000565400000000 ] - [ 0.0006286600000000, -0.0001374600000000, -0.0000981900000000 ] - [ 0.0002049900000000, 0.0007217900000000, -0.0001733800000000 ] - [ -0.0000577000000000, 0.0005251000000000, 0.0001492100000000 ] - [ -0.0038081500000000, -0.0119151000000000, -0.0041411800000000 ] - [ -0.0003311300000000, -0.0005829900000000, -0.0002102200000000 ] - [ -0.0014241800000000, -0.0026509900000000, 0.0010091800000000 ] - [ 0.0021074500000000, -0.0002987400000000, -0.0009894900000000 ] - [ -0.0003116300000000, 0.0006405000000000, 0.0004106600000000 ] - [ 0.0001915700000000, 0.0003095500000000, 0.0002475800000000 ] - [ -0.0018246800000000, 0.0001773000000000, 0.0028242400000000 ] - [ 0.0005470200000000, 0.0004840900000000, -0.0004174900000000 ] - [ -0.0006789300000000, -0.0000186000000000, -0.0011197000000000 ] - [ 0.0001307400000000, -0.0075171400000000, 0.0004765300000000 ] - [ -0.0002583400000000, -0.0003595600000000, 0.0002707100000000 ] - [ -0.0000146400000000, 0.0014484900000000, -0.0009447200000000 ] - [ 0.0001240800000000, -0.0001009900000000, 0.0002397300000000 ] - [ 0.0011979700000000, 0.0000560600000000, -0.0000082300000000 ] - [ -0.0002772500000000, 0.0012111300000000, -0.0008354000000000 ] - [ -0.0002347600000000, -0.0017930200000000, 0.0005920700000000 ] - [ -0.0019128800000000, -0.0009221800000000, 0.0006434700000000 ] - [ -0.0042349000000000, -0.0721583400000000, 0.0533923900000000 ] - [ 0.0000322900000000, -0.0003605300000000, -0.0001362400000000 ] - [ 0.0000682400000000, 0.0000173300000000, -0.0002260200000000 ] - [ 0.0002738900000000, -0.0003626300000000, -0.0006331500000000 ] - [ -0.0033611100000000, 0.0095083400000000, 0.0038616000000000 ] - [ -0.0003051400000000, -0.0005823500000000, -0.0001149400000000 ] - [ -0.0001756800000000, 0.0004531100000000, 0.0002096100000000 ] - [ 0.0009079000000000, -0.0022704900000000, 0.0020928100000000 ] - [ 0.0021258400000000, 0.0018510700000000, 0.0009958900000000 ] - [ -0.0015411000000000, -0.0004506700000000, 0.0005829700000000 ] - [ 0.0004376800000000, -0.0002695300000000, -0.0005984300000000 ] - [ 0.0013807100000000, -0.0001023900000000, 0.0008433000000000 ] - [ -0.0046397800000000, 0.1065063400000000, -0.0828110400000000 ] - [ 0.0004377500000000, 0.0001474100000000, -0.0003278100000000 ] - [ 0.0004306300000000, -0.0002726800000000, -0.0002728900000000 ] - [ 0.0000624200000000, 0.0002449200000000, 0.0003699900000000 ] - [ 0.0131907300000000, -0.0014598500000000, 0.0319757000000000 ] - [ 0.0001120700000000, -0.0001812400000000, 0.0002461600000000 ] - [ 0.0000016800000000, -0.0000375200000000, 0.0004439500000000 ] - [ -0.0011400700000000, 0.0004023800000000, -0.0010125400000000 ] - [ 0.0004779100000000, 0.0002116600000000, 0.0000858400000000 ] - [ 0.0008917300000000, 0.0007089700000000, -0.0007327800000000 ] - [ -0.0005990500000000, 0.0002638300000000, -0.0002121500000000 ] - [ -0.0003754400000000, 0.0000276000000000, -0.0000543000000000 ] - [ -0.0000463600000000, 0.0010081300000000, -0.0000920600000000 ] - [ -0.0000835600000000, -0.0000761700000000, 0.0001692500000000 ] - [ 0.0008270300000000, 0.0009797300000000, -0.0002096400000000 ] - [ -0.0004680600000000, 0.0020346400000000, 0.0002353200000000 ] - [ -0.0018277500000000, 0.0164534300000000, 0.0025840000000000 ] - [ 0.0002173500000000, 0.0001212100000000, 0.0001218600000000 ] - [ 0.0002255000000000, -0.0002900100000000, -0.0000978400000000 ] - [ 0.0006767100000000, -0.0011639700000000, -0.0038216800000000 ] - [ 0.0002720600000000, 0.0003892900000000, 0.0001118500000000 ] - [ -0.0021732900000000, -0.0022374000000000, 0.0015488700000000 ] - [ 0.0004285600000000, 0.0001378700000000, -0.0002871400000000 ] - [ -0.0002639700000000, 0.0011605600000000, 0.0004918300000000 ] - [ -0.0003054200000000, -0.0000595600000000, 0.0009704200000000 ] - [ -0.0004388200000000, -0.0001381000000000, 0.0004612100000000 ] - [ 0.0072648400000000, -0.0104243600000000, 0.0021141500000000 ] - [ 0.0016869200000000, -0.0030150700000000, -0.0008033500000000 ] - [ -0.0041046000000000, -0.0107861700000000, -0.0017551700000000 ] - [ -0.0001041400000000, 0.0016849300000000, -0.0006695700000000 ] - [ -0.0006993200000000, -0.0024725500000000, -0.0005411800000000 ] - [ -0.0013491100000000, -0.0022549600000000, -0.0030975800000000 ] - [ 0.0008299500000000, -0.0001509900000000, 0.0001777900000000 ]- atom: 52 displacement: [ -0.0029959570305193, 0.0000000000000000, 0.0095406625279003 ] forces: - [ -0.0004583000000000, -0.0003570100000000, -0.0001981100000000 ] - [ -0.0005938200000000, 0.0004195300000000, -0.0047744200000000 ] - [ -0.0006312800000000, 0.0002112700000000, -0.0010287900000000 ] - [ -0.0019849400000000, 0.0014570700000000, 0.0009321600000000 ] - [ -0.0010938400000000, -0.0004820700000000, 0.0057134900000000 ] - [ 0.0002803500000000, -0.0004179100000000, 0.0004664800000000 ] - [ -0.0005932600000000, 0.0002423500000000, 0.0003650500000000 ] - [ 0.0019305000000000, 0.0005490500000000, -0.0013708800000000 ] - [ -0.0011533900000000, 0.0008214400000000, -0.0004276400000000 ] - [ -0.0001686800000000, 0.0004616200000000, -0.0003365500000000 ] - [ 0.0006279600000000, 0.0001558900000000, -0.0020535200000000 ] - [ 0.0029258400000000, -0.0012529100000000, -0.0000157700000000 ] - [ -0.0001062200000000, -0.0003769300000000, 0.0006151900000000 ] - [ -0.0006347500000000, 0.0012749200000000, 0.0047648400000000 ] - [ 0.0013274000000000, 0.0035625600000000, -0.0000151200000000 ] - [ -0.0006949800000000, -0.0002250000000000, -0.0005908800000000 ] - [ 0.0029032900000000, 0.0022347800000000, -0.0046662800000000 ] - [ -0.0006597200000000, -0.0004700200000000, -0.0007426000000000 ] - [ -0.0005664700000000, 0.0004758100000000, 0.0003584700000000 ] - [ -0.0002512800000000, 0.0003083200000000, -0.0028704700000000 ] - [ 0.0014569700000000, 0.0003036200000000, -0.0004711000000000 ] - [ 0.0003905600000000, 0.0002633500000000, 0.0005106800000000 ] - [ -0.0019615500000000, 0.0015271000000000, 0.0088626200000000 ] - [ -0.0004872200000000, -0.0004005800000000, -0.0004665900000000 ] - [ -0.0033137500000000, -0.0021603400000000, 0.0013531900000000 ] - [ 0.0034416900000000, 0.0022527200000000, 0.0038899000000000 ] - [ -0.0009734200000000, 0.0004361000000000, 0.0000852400000000 ] - [ 0.0001683000000000, -0.0004419300000000, -0.0019622600000000 ] - [ 0.0009018300000000, -0.0050510700000000, -0.0007131200000000 ] - [ 0.0004162300000000, 0.0002084900000000, -0.0013120900000000 ] - [ -0.0010015400000000, 0.0015234800000000, -0.0009171300000000 ] - [ -0.0058198300000000, 0.0015337700000000, 0.0082440700000000 ] - [ 0.0000378800000000, -0.0003328100000000, 0.0003482000000000 ] - [ -0.0006523000000000, -0.0006273100000000, -0.0007562300000000 ] - [ 0.0006099600000000, -0.0001609700000000, 0.0001980800000000 ] - [ 0.0005272200000000, -0.0002134400000000, 0.0009655700000000 ] - [ -0.0000588000000000, 0.0005489200000000, -0.0017600000000000 ] - [ 0.0002686400000000, -0.0013087300000000, 0.0009630900000000 ] - [ 0.0029693300000000, -0.0022384400000000, -0.0084011400000000 ] - [ -0.0344166300000000, -0.0487882900000000, 0.2015409300000000 ] - [ 0.0022668500000000, -0.0006484800000000, -0.0027337400000000 ] - [ -0.0052577900000000, -0.0000800500000000, 0.0048986800000000 ] - [ 0.0019755100000000, -0.0001509100000000, -0.0034529600000000 ] - [ -0.0032897700000000, 0.0004158900000000, 0.0057203800000000 ] - [ -0.0007497400000000, -0.0006481100000000, -0.0007504400000000 ] - [ 0.0000859800000000, 0.0002492300000000, 0.0009798900000000 ] - [ -0.0029043000000000, -0.0002170100000000, -0.0015536200000000 ] - [ 0.0035390200000000, 0.0019425700000000, 0.0015458300000000 ] - [ -0.0025006300000000, -0.0002746800000000, 0.0009401900000000 ] - [ 0.0006683100000000, -0.0000095100000000, -0.0010376200000000 ] - [ 0.0018265700000000, -0.0001891500000000, 0.0013547000000000 ] - [ 0.0516659800000000, 0.0743427500000000, -0.3073031600000000 ] - [ 0.0005782700000000, 0.0000919500000000, 0.0001051700000000 ] - [ -0.0014270900000000, -0.0001390900000000, 0.0081047900000000 ] - [ 0.0022381800000000, 0.0009700300000000, -0.0003561200000000 ] - [ 0.0221406500000000, -0.0239613000000000, 0.0248658300000000 ] - [ 0.0005853800000000, 0.0003216700000000, 0.0010897500000000 ] - [ -0.0004962500000000, 0.0000922300000000, 0.0014859100000000 ] - [ 0.0013859600000000, 0.0004422500000000, -0.0004361200000000 ] - [ 0.0000598900000000, 0.0000777000000000, -0.0002478300000000 ] - [ 0.0002801800000000, 0.0005625900000000, -0.0022189200000000 ] - [ -0.0008705100000000, -0.0000697900000000, -0.0008439600000000 ] - [ -0.0003267300000000, 0.0001999600000000, 0.0026338400000000 ] - [ -0.0001953800000000, -0.0003278000000000, -0.0044853400000000 ] - [ -0.0009506900000000, 0.0000822900000000, 0.0004727200000000 ] - [ -0.0028075400000000, 0.0019968400000000, 0.0046415500000000 ] - [ 0.0084316200000000, 0.0004758300000000, 0.0026949400000000 ] - [ -0.0363687100000000, -0.0086646700000000, 0.0499629700000000 ] - [ -0.0015325500000000, 0.0006231300000000, 0.0023685800000000 ] - [ 0.0000225400000000, -0.0000981100000000, -0.0007587300000000 ] - [ -0.0011244400000000, 0.0047716600000000, 0.0076518100000000 ] - [ 0.0007809200000000, 0.0002788200000000, 0.0008696500000000 ] - [ -0.0031457900000000, -0.0032745300000000, 0.0012196400000000 ] - [ -0.0002022200000000, 0.0002245200000000, -0.0005040400000000 ] - [ -0.0015059900000000, 0.0008410600000000, 0.0041344200000000 ] - [ -0.0005146200000000, 0.0006268600000000, 0.0027824200000000 ] - [ -0.0042727700000000, -0.0017622700000000, 0.0017467500000000 ] - [ 0.0053169700000000, -0.0053670400000000, -0.0024313800000000 ] - [ -0.0000360500000000, 0.0023847900000000, -0.0039443500000000 ] - [ 0.0016228300000000, -0.0015766200000000, -0.0048569900000000 ] - [ 0.0006305000000000, 0.0008561400000000, 0.0023360900000000 ] - [ -0.0011646100000000, -0.0005655700000000, -0.0021977600000000 ] - [ 0.0014246200000000, -0.0001643500000000, 0.0008488000000000 ] - [ 0.0012094600000000, -0.0001480900000000, 0.0003311900000000 ]- atom: 52 displacement: [ 0.0029959570305193, 0.0000000000000000, -0.0095406625279003 ] forces: - [ -0.0002631800000000, -0.0003136600000000, 0.0004377700000000 ] - [ 0.0005682000000000, 0.0003380000000000, 0.0050242500000000 ] - [ 0.0006741700000000, 0.0005494900000000, 0.0007940500000000 ] - [ 0.0027189000000000, -0.0021297000000000, -0.0011685200000000 ] - [ 0.0009336500000000, -0.0001813600000000, -0.0054688800000000 ] - [ -0.0002294900000000, -0.0003387100000000, -0.0007153700000000 ] - [ -0.0001469500000000, 0.0004303500000000, -0.0001315500000000 ] - [ -0.0011877600000000, 0.0001262200000000, 0.0011351900000000 ] - [ 0.0003250000000000, -0.0016444300000000, 0.0011541600000000 ] - [ 0.0001215900000000, 0.0002966800000000, 0.0005809300000000 ] - [ -0.0005782900000000, 0.0006033400000000, 0.0018102500000000 ] - [ -0.0021995600000000, 0.0005896500000000, -0.0002295200000000 ] - [ 0.0000668500000000, -0.0003813900000000, -0.0003726400000000 ] - [ 0.0006668800000000, -0.0020102700000000, -0.0049961300000000 ] - [ -0.0020616400000000, -0.0029066300000000, 0.0002342400000000 ] - [ 0.0014189600000000, 0.0008969500000000, 0.0003665400000000 ] - [ -0.0036454800000000, -0.0015545600000000, 0.0052137200000000 ] - [ 0.0006623900000000, 0.0000350700000000, 0.0007433700000000 ] - [ 0.0000371100000000, 0.0003621400000000, -0.0004633600000000 ] - [ 0.0009650400000000, 0.0003748600000000, 0.0023357100000000 ] - [ -0.0009261200000000, 0.0005348100000000, 0.0005733300000000 ] - [ -0.0003892100000000, 0.0001722700000000, -0.0005108600000000 ] - [ 0.0013650000000000, -0.0019998000000000, -0.0081660400000000 ] - [ -0.0000307300000000, -0.0004374600000000, 0.0003685000000000 ] - [ 0.0038353700000000, 0.0013300800000000, -0.0012651300000000 ] - [ -0.0026895700000000, -0.0029385000000000, -0.0044809500000000 ] - [ 0.0002410100000000, 0.0002606900000000, 0.0004561000000000 ] - [ -0.0001729300000000, 0.0000056400000000, 0.0019637900000000 ] - [ -0.0014253100000000, 0.0059177800000000, 0.0005757200000000 ] - [ 0.0003320900000000, 0.0004819600000000, 0.0007788000000000 ] - [ 0.0015099400000000, -0.0007001700000000, 0.0010403700000000 ] - [ 0.0058625400000000, -0.0011246300000000, -0.0082358100000000 ] - [ -0.0007764100000000, -0.0003558500000000, 0.0001885800000000 ] - [ 0.0001209700000000, -0.0002084100000000, 0.0006679200000000 ] - [ -0.0000775600000000, -0.0006808900000000, -0.0001044900000000 ] - [ 0.0002013200000000, -0.0004773700000000, -0.0015073200000000 ] - [ 0.0000632100000000, 0.0002460900000000, 0.0017630600000000 ] - [ -0.0002669900000000, 0.0005102200000000, -0.0009612300000000 ] - [ -0.0029933000000000, 0.0015132600000000, 0.0087079800000000 ] - [ 0.0355848800000000, 0.0552228700000000, -0.2159304100000000 ] - [ -0.0022654500000000, -0.0000642900000000, 0.0024309500000000 ] - [ 0.0053014300000000, 0.0008045400000000, -0.0051933200000000 ] - [ -0.0019840900000000, 0.0009703300000000, 0.0034612500000000 ] - [ 0.0032999500000000, -0.0012027800000000, -0.0057481300000000 ] - [ 0.0007460800000000, -0.0000632700000000, 0.0010646600000000 ] - [ -0.0001002400000000, 0.0004671900000000, -0.0006711500000000 ] - [ 0.0029250600000000, -0.0004882300000000, 0.0012249000000000 ] - [ -0.0035204900000000, -0.0012223700000000, -0.0018423400000000 ] - [ 0.0017920800000000, 0.0003079300000000, -0.0000763200000000 ] - [ 0.0000396800000000, 0.0000444700000000, 0.0001696700000000 ] - [ -0.0012129700000000, 0.0001346100000000, -0.0010519800000000 ] - [ -0.0528932900000000, -0.0810846300000000, 0.3224136200000000 ] - [ 0.0001190700000000, -0.0001240200000000, -0.0009717100000000 ] - [ 0.0018699700000000, 0.0004762400000000, -0.0081709800000000 ] - [ -0.0026513000000000, -0.0006618200000000, 0.0007938600000000 ] - [ -0.0219987300000000, 0.0245350000000000, -0.0253593600000000 ] - [ -0.0005910200000000, 0.0006899500000000, -0.0010877000000000 ] - [ -0.0001285100000000, -0.0001450300000000, -0.0017895500000000 ] - [ -0.0020917400000000, -0.0004723800000000, 0.0013159800000000 ] - [ 0.0005530900000000, -0.0000242600000000, 0.0005487900000000 ] - [ -0.0008966500000000, -0.0005104400000000, 0.0019161500000000 ] - [ 0.0008715400000000, -0.0009344100000000, 0.0008397500000000 ] - [ -0.0001070900000000, 0.0001260500000000, -0.0025821200000000 ] - [ -0.0002785900000000, -0.0000009100000000, 0.0045519500000000 ] - [ 0.0005586100000000, -0.0003981900000000, -0.0000258500000000 ] - [ 0.0031917200000000, -0.0022935400000000, -0.0050764100000000 ] - [ -0.0091286100000000, -0.0004391000000000, -0.0018668900000000 ] - [ 0.0378696800000000, 0.0089096300000000, -0.0518325700000000 ] - [ 0.0021557300000000, -0.0006880800000000, -0.0020629000000000 ] - [ 0.0004132000000000, -0.0002282600000000, 0.0006992300000000 ] - [ 0.0018556900000000, -0.0047613200000000, -0.0085071300000000 ] - [ -0.0003404300000000, 0.0000440600000000, -0.0009324000000000 ] - [ 0.0027438100000000, 0.0035683800000000, -0.0007795100000000 ] - [ 0.0005995500000000, 0.0000886200000000, 0.0000636600000000 ] - [ 0.0015253200000000, 0.0001490300000000, -0.0041450400000000 ] - [ -0.0000938000000000, -0.0006900600000000, -0.0030979700000000 ] - [ 0.0035927900000000, 0.0017473600000000, -0.0008731100000000 ] - [ -0.0047093800000000, 0.0054474000000000, 0.0026925700000000 ] - [ -0.0005975800000000, -0.0023393900000000, 0.0036759400000000 ] - [ -0.0016551900000000, 0.0005165500000000, 0.0048637100000000 ] - [ -0.0010784000000000, -0.0005406500000000, -0.0022697700000000 ] - [ 0.0007283600000000, 0.0002429300000000, 0.0022492300000000 ] - [ -0.0018227000000000, -0.0001405800000000, -0.0003814200000000 ] - [ -0.0008207400000000, -0.0001669000000000, -0.0007864000000000 ]- atom: 55 displacement: [ 0.0099999877275060, 0.0000000000000000, -0.0000156668353337 ] forces: - [ 0.0085832700000000, 0.0067684800000000, 0.0012531000000000 ] - [ -0.0019283900000000, 0.0005456500000000, -0.0008345700000000 ] - [ 0.0064257600000000, 0.0010632700000000, -0.0018396200000000 ] - [ -0.0006337100000000, -0.0005413100000000, -0.0008239000000000 ] - [ -0.0020606600000000, -0.0002947600000000, -0.0002494100000000 ] - [ 0.0038236900000000, -0.0000430200000000, 0.0043198700000000 ] - [ 0.0006217100000000, 0.0004590800000000, 0.0002937100000000 ] - [ -0.0017061900000000, 0.0011230000000000, -0.0004530700000000 ] - [ -0.0039878500000000, -0.0010964100000000, 0.0003151100000000 ] - [ 0.0015980500000000, 0.0004912400000000, 0.0006889800000000 ] - [ -0.0013324100000000, 0.0003740300000000, -0.0004754500000000 ] - [ 0.0014940700000000, -0.0007040600000000, -0.0012734200000000 ] - [ 0.0029985400000000, -0.0016437700000000, 0.0013242400000000 ] - [ -0.0015581500000000, -0.0006120900000000, -0.0007186000000000 ] - [ -0.0012451300000000, 0.0004097900000000, -0.0006619700000000 ] - [ 0.0035122600000000, 0.0031949100000000, 0.0009352100000000 ] - [ -0.0008082700000000, 0.0006724800000000, 0.0001194800000000 ] - [ -0.0005299400000000, 0.0014235300000000, -0.0018845700000000 ] - [ 0.0009466000000000, 0.0002655000000000, 0.0000690500000000 ] - [ -0.0023400800000000, 0.0021354700000000, 0.0040328000000000 ] - [ -0.0026339600000000, -0.0003809600000000, -0.0001668000000000 ] - [ -0.0009154800000000, -0.0010053400000000, 0.0008369000000000 ] - [ -0.0038139900000000, 0.0020743100000000, -0.0021295100000000 ] - [ 0.0128173300000000, -0.0036010500000000, 0.0008946600000000 ] - [ -0.0010310500000000, -0.0001160700000000, -0.0005180000000000 ] - [ 0.0000625400000000, 0.0008293600000000, -0.0022071100000000 ] - [ -0.0001036100000000, -0.0000948100000000, -0.0003271900000000 ] - [ -0.0004299300000000, -0.0002522100000000, 0.0003829600000000 ] - [ -0.0012366600000000, 0.0002144200000000, -0.0007043600000000 ] - [ -0.0007490900000000, -0.0001450400000000, -0.0007386500000000 ] - [ 0.0019903300000000, -0.0044527100000000, 0.0015455000000000 ] - [ -0.0017389300000000, -0.0016431100000000, -0.0034406500000000 ] - [ -0.0007995900000000, -0.0000516300000000, 0.0009320700000000 ] - [ -0.0016429200000000, -0.0002645800000000, 0.0000481400000000 ] - [ 0.0012838100000000, -0.0003880500000000, -0.0000059100000000 ] - [ -0.0001596400000000, -0.0000573400000000, -0.0001398100000000 ] - [ 0.0014946700000000, -0.0024263700000000, -0.0059631700000000 ] - [ -0.0025653300000000, 0.0034489700000000, 0.0058033900000000 ] - [ -0.0046899800000000, -0.0020067000000000, 0.0008328100000000 ] - [ -0.0024124500000000, 0.0020608200000000, -0.0024832900000000 ] - [ 0.0024525900000000, -0.0020687000000000, 0.0021244500000000 ] - [ 0.1609105000000000, 0.0740209500000000, 0.0628856300000000 ] - [ -0.0008495300000000, -0.0005921400000000, 0.0013059300000000 ] - [ 0.0010206900000000, 0.0011830800000000, -0.0008177200000000 ] - [ 0.0066289300000000, 0.0027780600000000, -0.0007084600000000 ] - [ 0.0022968600000000, -0.0010938000000000, 0.0031346800000000 ] - [ -0.0020975300000000, 0.0005103200000000, -0.0018094900000000 ] - [ -0.0035493300000000, -0.0006826500000000, -0.0001223000000000 ] - [ 0.0027322200000000, 0.0009293100000000, -0.0002352700000000 ] - [ -0.0005956900000000, 0.0003959500000000, -0.0009042200000000 ] - [ -0.0008339900000000, -0.0004944500000000, 0.0028074300000000 ] - [ 0.0031287300000000, -0.0004255900000000, 0.0034356300000000 ] - [ -0.0011721700000000, -0.0047529100000000, 0.0012529100000000 ] - [ 0.0020776700000000, 0.0002832800000000, -0.0002343700000000 ] - [ -0.2514324100000000, -0.1219417900000000, -0.0875129300000000 ] - [ 0.0032212200000000, -0.0010096600000000, 0.0017598400000000 ] - [ 0.0003498600000000, 0.0026364700000000, 0.0021332200000000 ] - [ 0.0062938500000000, 0.0010377200000000, 0.0063859300000000 ] - [ 0.0009864400000000, -0.0002874300000000, 0.0008455600000000 ] - [ 0.0104562600000000, -0.0021214900000000, -0.0053937600000000 ] - [ 0.0016772100000000, 0.0003440500000000, -0.0029516000000000 ] - [ 0.0008818300000000, -0.0031193500000000, -0.0014599100000000 ] - [ -0.0011781400000000, -0.0004636400000000, -0.0034280000000000 ] - [ -0.0076619300000000, 0.0128653600000000, 0.0208039900000000 ] - [ -0.0031399100000000, 0.0004040100000000, -0.0012655600000000 ] - [ 0.0043958600000000, 0.0006611100000000, 0.0005523000000000 ] - [ 0.0518283700000000, 0.0320645500000000, 0.0019939000000000 ] - [ 0.0021104700000000, -0.0003046400000000, 0.0008217800000000 ] - [ 0.0011389100000000, 0.0006187500000000, -0.0003132900000000 ] - [ -0.0002920000000000, 0.0018092500000000, -0.0032835400000000 ] - [ 0.0052715300000000, -0.0011286900000000, -0.0018855200000000 ] - [ -0.0022146700000000, -0.0009697900000000, 0.0008985200000000 ] - [ 0.0028921300000000, 0.0008937000000000, 0.0009019000000000 ] - [ -0.0025820900000000, 0.0013320200000000, -0.0015274100000000 ] - [ 0.0012492100000000, 0.0009286700000000, -0.0016690100000000 ] - [ 0.0001148200000000, 0.0010502100000000, -0.0014844200000000 ] - [ -0.0014611800000000, -0.0001184200000000, 0.0005782400000000 ] - [ 0.0014204900000000, 0.0015710900000000, 0.0010837700000000 ] - [ -0.0008167600000000, 0.0002572400000000, 0.0013139300000000 ] - [ 0.0008243600000000, -0.0020984300000000, 0.0020538200000000 ] - [ 0.0012408300000000, -0.0004666200000000, 0.0015569300000000 ] - [ 0.0014420900000000, 0.0000674000000000, 0.0001329700000000 ] - [ 0.0021041200000000, -0.0006571300000000, 0.0016225600000000 ] - [ -0.0058699500000000, 0.0004218400000000, -0.0019680200000000 ]- atom: 55 displacement: [ -0.0099999877275060, 0.0000000000000000, 0.0000156668353337 ] forces: - [ -0.0090707700000000, -0.0070021000000000, -0.0009887200000000 ] - [ 0.0018874200000000, 0.0002132200000000, 0.0010729800000000 ] - [ -0.0063663100000000, -0.0003072600000000, 0.0016120000000000 ] - [ 0.0013758000000000, -0.0001310700000000, 0.0005902900000000 ] - [ 0.0020173100000000, -0.0004650600000000, 0.0004933800000000 ] - [ -0.0037420400000000, -0.0007072100000000, -0.0046095700000000 ] - [ -0.0013599100000000, 0.0002125000000000, -0.0000496900000000 ] - [ 0.0024456200000000, -0.0004456000000000, 0.0002152000000000 ] - [ 0.0032537400000000, 0.0004289700000000, -0.0000793600000000 ] - [ -0.0016444400000000, 0.0002718200000000, -0.0004429600000000 ] - [ 0.0013769700000000, 0.0003823300000000, 0.0002316300000000 ] - [ -0.0007487000000000, 0.0000266400000000, 0.0010234300000000 ] - [ -0.0030318400000000, 0.0008767400000000, -0.0010877300000000 ] - [ 0.0015967000000000, -0.0001447400000000, 0.0004806200000000 ] - [ 0.0004965500000000, 0.0002619700000000, 0.0008941100000000 ] - [ -0.0029160400000000, -0.0024204900000000, -0.0011531700000000 ] - [ 0.0000750900000000, 0.0000123300000000, 0.0004124500000000 ] - [ 0.0005392200000000, -0.0018506000000000, 0.0018818600000000 ] - [ -0.0014631400000000, 0.0005677800000000, -0.0001642100000000 ] - [ 0.0030680100000000, -0.0014665600000000, -0.0045984900000000 ] - [ 0.0031505800000000, 0.0012125200000000, 0.0002655400000000 ] - [ 0.0009168900000000, 0.0014332000000000, -0.0008312000000000 ] - [ 0.0030817500000000, -0.0027701900000000, 0.0026900900000000 ] - [ -0.0123218900000000, 0.0021781200000000, -0.0009005400000000 ] - [ 0.0015551500000000, -0.0007215000000000, 0.0006211500000000 ] - [ 0.0006544200000000, -0.0015028500000000, 0.0016558000000000 ] - [ -0.0006250600000000, 0.0007901800000000, 0.0008692300000000 ] - [ 0.0004251900000000, -0.0001809100000000, -0.0003871800000000 ] - [ 0.0007092700000000, 0.0006220700000000, 0.0006066400000000 ] - [ 0.0014939000000000, 0.0008347200000000, 0.0002020000000000 ] - [ -0.0014651700000000, 0.0053120200000000, -0.0014437900000000 ] - [ 0.0017194600000000, 0.0020786900000000, 0.0034668300000000 ] - [ 0.0000620300000000, -0.0006397900000000, -0.0004041700000000 ] - [ 0.0011002200000000, -0.0005779000000000, -0.0001510800000000 ] - [ -0.0007581000000000, -0.0004493700000000, 0.0000963300000000 ] - [ 0.0008900000000000, -0.0006281300000000, -0.0004026900000000 ] - [ -0.0014760100000000, 0.0032125600000000, 0.0059284800000000 ] - [ 0.0025602000000000, -0.0042322600000000, -0.0057764900000000 ] - [ 0.0046802400000000, 0.0012913700000000, -0.0005311500000000 ] - [ 0.0023867100000000, -0.0013482600000000, 0.0028068400000000 ] - [ -0.0024400800000000, 0.0013519600000000, -0.0024279100000000 ] - [ -0.1669317400000000, -0.0791414000000000, -0.0682713100000000 ] - [ 0.0008543200000000, 0.0013989000000000, -0.0013135100000000 ] - [ -0.0010323500000000, -0.0019754300000000, 0.0008318000000000 ] - [ -0.0066029300000000, -0.0035026600000000, 0.0010186700000000 ] - [ -0.0023037400000000, 0.0018061700000000, -0.0028186000000000 ] - [ 0.0021095600000000, -0.0012227100000000, 0.0014951000000000 ] - [ 0.0035600700000000, 0.0013961000000000, -0.0001854300000000 ] - [ -0.0034297600000000, -0.0008923000000000, 0.0011019100000000 ] - [ 0.0012921200000000, -0.0003616100000000, 0.0000341300000000 ] - [ 0.0014305000000000, 0.0004391500000000, -0.0025029300000000 ] - [ -0.0026861900000000, 0.0001024700000000, -0.0035217300000000 ] - [ 0.0018388600000000, 0.0047208000000000, -0.0021075100000000 ] - [ -0.0016325100000000, 0.0000435900000000, 0.0001787800000000 ] - [ 0.2564642600000000, 0.1288681500000000, 0.0928326900000000 ] - [ -0.0028210300000000, 0.0013242000000000, -0.0022101700000000 ] - [ -0.0003614300000000, -0.0016198700000000, -0.0021236300000000 ] - [ -0.0068586400000000, -0.0010899700000000, -0.0066360000000000 ] - [ -0.0016892700000000, 0.0002531100000000, 0.0000155800000000 ] - [ -0.0097469000000000, 0.0021562700000000, 0.0056597800000000 ] - [ -0.0022881400000000, -0.0002889200000000, 0.0026272700000000 ] - [ -0.0008798000000000, 0.0021027800000000, 0.0014503200000000 ] - [ 0.0007543400000000, 0.0007899600000000, 0.0034899200000000 ] - [ 0.0075050300000000, -0.0131290000000000, -0.0206085000000000 ] - [ 0.0027407400000000, -0.0007192500000000, 0.0017079300000000 ] - [ -0.0039961600000000, -0.0009744400000000, -0.0009969400000000 ] - [ -0.0535324000000000, -0.0327835700000000, -0.0011403000000000 ] - [ -0.0013911300000000, 0.0003367800000000, -0.0016793200000000 ] - [ -0.0005209400000000, -0.0006737400000000, 0.0006226400000000 ] - [ 0.0007229900000000, -0.0021309000000000, 0.0032096300000000 ] - [ -0.0045764400000000, 0.0011087000000000, 0.0010262300000000 ] - [ 0.0026419700000000, 0.0013088500000000, -0.0009755200000000 ] - [ -0.0032844200000000, -0.0005813600000000, -0.0004522500000000 ] - [ 0.0029698700000000, -0.0010149000000000, 0.0010771000000000 ] - [ -0.0012498000000000, 0.0000691300000000, 0.0016837600000000 ] - [ -0.0007311500000000, -0.0011135200000000, 0.0011918700000000 ] - [ 0.0007643700000000, 0.0000836300000000, 0.0002914700000000 ] - [ -0.0007942800000000, -0.0015410200000000, -0.0007974800000000 ] - [ 0.0002112700000000, -0.0001983100000000, -0.0016167000000000 ] - [ -0.0008076700000000, 0.0010905500000000, -0.0020614800000000 ] - [ -0.0016822100000000, 0.0007864300000000, -0.0014868700000000 ] - [ -0.0018822600000000, -0.0003911300000000, -0.0000692700000000 ] - [ -0.0024946200000000, 0.0003431600000000, -0.0011722900000000 ] - [ 0.0062586900000000, -0.0007627400000000, 0.0015144200000000 ]- atom: 55 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0061334000000000, 0.0113509900000000, 0.0006377800000000 ] - [ -0.0005375900000000, 0.0004801500000000, -0.0001563000000000 ] - [ 0.0011154100000000, 0.0045848400000000, -0.0019850400000000 ] - [ 0.0000220200000000, -0.0003076600000000, -0.0004209100000000 ] - [ -0.0004625400000000, -0.0001839100000000, 0.0000243000000000 ] - [ 0.0000914200000000, 0.0039072800000000, 0.0023785300000000 ] - [ -0.0001451800000000, 0.0003043000000000, 0.0001836100000000 ] - [ 0.0003204400000000, 0.0004296000000000, -0.0001248200000000 ] - [ -0.0016230600000000, -0.0009256100000000, 0.0003318600000000 ] - [ 0.0005319900000000, -0.0005100100000000, -0.0005156300000000 ] - [ -0.0002759000000000, 0.0003406600000000, -0.0002045100000000 ] - [ 0.0010369000000000, -0.0009340900000000, -0.0017394100000000 ] - [ 0.0006800000000000, -0.0046921500000000, 0.0004577300000000 ] - [ -0.0002780900000000, -0.0006941500000000, -0.0002285700000000 ] - [ -0.0004948600000000, 0.0005192900000000, 0.0001651700000000 ] - [ 0.0052368300000000, 0.0009753500000000, -0.0007524900000000 ] - [ -0.0002465200000000, 0.0006484600000000, 0.0000135500000000 ] - [ 0.0004198500000000, 0.0002116600000000, 0.0005169500000000 ] - [ -0.0001333900000000, 0.0006444400000000, -0.0002345900000000 ] - [ 0.0000188000000000, 0.0019301800000000, 0.0016541300000000 ] - [ -0.0006678900000000, 0.0006059100000000, 0.0001101200000000 ] - [ -0.0007438200000000, 0.0003737600000000, 0.0001514300000000 ] - [ -0.0012450400000000, 0.0020552200000000, -0.0006272300000000 ] - [ -0.0048440900000000, 0.0085218900000000, 0.0000350200000000 ] - [ -0.0001242500000000, -0.0003256100000000, -0.0002119800000000 ] - [ 0.0000417900000000, 0.0027003800000000, -0.0009651200000000 ] - [ -0.0003068800000000, -0.0002806700000000, 0.0002168400000000 ] - [ 0.0003621800000000, -0.0002975700000000, 0.0000308400000000 ] - [ -0.0005273000000000, -0.0000279100000000, -0.0002917700000000 ] - [ 0.0002358900000000, -0.0005386600000000, -0.0001552700000000 ] - [ 0.0005844700000000, -0.0027789900000000, 0.0006661400000000 ] - [ -0.0019445400000000, -0.0020658700000000, -0.0008715800000000 ] - [ -0.0004391000000000, -0.0014429400000000, -0.0001332400000000 ] - [ -0.0001339200000000, -0.0004319600000000, -0.0000857500000000 ] - [ 0.0006419900000000, -0.0006357700000000, 0.0002540800000000 ] - [ 0.0000659900000000, -0.0005061900000000, -0.0003212600000000 ] - [ -0.0009243800000000, 0.0016576400000000, -0.0015973100000000 ] - [ 0.0000266700000000, 0.0001534200000000, 0.0005603300000000 ] - [ -0.0010148600000000, -0.0007594200000000, 0.0004324900000000 ] - [ -0.0012397300000000, 0.0013966500000000, -0.0005712400000000 ] - [ 0.0005068600000000, 0.0001174900000000, -0.0016307700000000 ] - [ 0.0749812000000000, 0.1097469300000000, 0.0482952700000000 ] - [ -0.0000062700000000, -0.0004545600000000, -0.0001051200000000 ] - [ 0.0002675000000000, -0.0028313800000000, 0.0005176600000000 ] - [ -0.0046430900000000, -0.0055596700000000, -0.0005967100000000 ] - [ 0.0008722500000000, -0.0008193400000000, 0.0030040800000000 ] - [ -0.0005592800000000, -0.0003718400000000, -0.0003888500000000 ] - [ -0.0009485000000000, 0.0001042600000000, -0.0000966000000000 ] - [ 0.0006255700000000, 0.0005480700000000, 0.0003066200000000 ] - [ 0.0006274800000000, 0.0002979100000000, -0.0013099400000000 ] - [ 0.0002982900000000, -0.0007899400000000, 0.0008422600000000 ] - [ 0.0017040100000000, -0.0002547400000000, 0.0012956200000000 ] - [ -0.0000856100000000, 0.0049422600000000, -0.0018592800000000 ] - [ 0.0005421000000000, 0.0000845100000000, -0.0001806900000000 ] - [ -0.1241117800000000, -0.1399421300000000, -0.0774340600000000 ] - [ 0.0013679600000000, -0.0006554400000000, 0.0004245400000000 ] - [ 0.0012999300000000, 0.0008030300000000, 0.0013653400000000 ] - [ 0.0010324100000000, -0.0017049400000000, 0.0005608500000000 ] - [ 0.0000386000000000, 0.0000958800000000, 0.0005050100000000 ] - [ 0.0010166900000000, -0.0022653000000000, -0.0005521600000000 ] - [ 0.0000613500000000, -0.0001064500000000, -0.0001868500000000 ] - [ -0.0000949800000000, -0.0007676100000000, -0.0000555600000000 ] - [ -0.0018798200000000, -0.0009796100000000, 0.0017565700000000 ] - [ 0.0154046500000000, 0.0014680200000000, 0.0302672000000000 ] - [ -0.0007619100000000, -0.0008257200000000, 0.0005772200000000 ] - [ 0.0010164700000000, -0.0000797800000000, -0.0001485600000000 ] - [ 0.0290673400000000, -0.0036541300000000, 0.0008444600000000 ] - [ 0.0018385200000000, -0.0003270100000000, 0.0007862700000000 ] - [ 0.0003279600000000, 0.0003463600000000, 0.0001921100000000 ] - [ 0.0017350800000000, 0.0022290800000000, -0.0031508900000000 ] - [ 0.0015628900000000, -0.0011542100000000, -0.0009290600000000 ] - [ 0.0006447600000000, 0.0022530700000000, 0.0001305100000000 ] - [ 0.0005415900000000, 0.0004944300000000, 0.0003825400000000 ] - [ -0.0009782500000000, 0.0014155800000000, -0.0009608900000000 ] - [ 0.0002895900000000, 0.0009006800000000, -0.0004455200000000 ] - [ -0.0008026300000000, 0.0009454600000000, -0.0001336100000000 ] - [ -0.0013353800000000, -0.0008743800000000, 0.0015381900000000 ] - [ 0.0002223900000000, 0.0016618500000000, 0.0001921500000000 ] - [ -0.0000029400000000, 0.0017861800000000, -0.0002452800000000 ] - [ -0.0022464900000000, -0.0004070900000000, -0.0017129300000000 ] - [ 0.0000077900000000, 0.0001598000000000, 0.0001127500000000 ] - [ 0.0002512300000000, -0.0001437600000000, 0.0001057200000000 ] - [ 0.0003030000000000, -0.0000419600000000, 0.0004706400000000 ] - [ 0.0007883800000000, 0.0091571900000000, 0.0010228400000000 ]- atom: 55 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0063001900000000, -0.0114116300000000, -0.0003381000000000 ] - [ 0.0004914000000000, 0.0002770900000000, 0.0003993000000000 ] - [ -0.0010631200000000, -0.0038137300000000, 0.0017564200000000 ] - [ 0.0007053200000000, -0.0003616300000000, 0.0001826800000000 ] - [ 0.0004188100000000, -0.0005730300000000, 0.0002175500000000 ] - [ -0.0000398100000000, -0.0046468100000000, -0.0026455200000000 ] - [ -0.0005815000000000, 0.0003623800000000, 0.0000501500000000 ] - [ 0.0004044600000000, 0.0002389200000000, -0.0001099200000000 ] - [ 0.0008839900000000, 0.0002513900000000, -0.0000930900000000 ] - [ -0.0005672100000000, 0.0012679500000000, 0.0007511400000000 ] - [ 0.0003228000000000, 0.0004163600000000, -0.0000396600000000 ] - [ -0.0003051600000000, 0.0002606600000000, 0.0014954400000000 ] - [ -0.0007200700000000, 0.0039215400000000, -0.0001915700000000 ] - [ 0.0003201200000000, -0.0000661200000000, -0.0000146400000000 ] - [ -0.0002350900000000, 0.0001535800000000, 0.0000722600000000 ] - [ -0.0046148500000000, -0.0001847200000000, 0.0005341700000000 ] - [ -0.0004858500000000, 0.0000438100000000, 0.0005314400000000 ] - [ -0.0004245300000000, -0.0006568700000000, -0.0005197500000000 ] - [ -0.0003847700000000, 0.0001909300000000, 0.0001283500000000 ] - [ 0.0007085100000000, -0.0012304800000000, -0.0021903300000000 ] - [ 0.0011943300000000, 0.0002408800000000, -0.0000045000000000 ] - [ 0.0007423100000000, 0.0000698900000000, -0.0001522700000000 ] - [ 0.0005004000000000, -0.0027266500000000, 0.0011697600000000 ] - [ 0.0045310300000000, -0.0094151700000000, -0.0000993700000000 ] - [ 0.0006435600000000, -0.0005108000000000, 0.0003130900000000 ] - [ 0.0006938400000000, -0.0033815100000000, 0.0004139700000000 ] - [ -0.0004246200000000, 0.0009725800000000, 0.0003267800000000 ] - [ -0.0003622000000000, -0.0001365000000000, -0.0000320000000000 ] - [ 0.0000036900000000, 0.0008621500000000, 0.0001913900000000 ] - [ 0.0004957400000000, 0.0012316400000000, -0.0003849900000000 ] - [ -0.0000521400000000, 0.0035842100000000, -0.0005512600000000 ] - [ 0.0019350100000000, 0.0024924100000000, 0.0008621100000000 ] - [ -0.0003078200000000, 0.0007512700000000, 0.0006758500000000 ] - [ -0.0003817900000000, -0.0004051100000000, -0.0000120500000000 ] - [ -0.0001159500000000, -0.0002018800000000, -0.0001526800000000 ] - [ 0.0006585400000000, -0.0001798400000000, -0.0002330900000000 ] - [ 0.0009117100000000, -0.0008419000000000, 0.0015963400000000 ] - [ -0.0000210900000000, -0.0009672100000000, -0.0005779800000000 ] - [ 0.0009994000000000, 0.0000451800000000, -0.0001212200000000 ] - [ 0.0012237500000000, -0.0006767900000000, 0.0008760700000000 ] - [ -0.0004927800000000, -0.0008333000000000, 0.0013235500000000 ] - [ -0.0786278400000000, -0.1101526500000000, -0.0508891000000000 ] - [ 0.0000061500000000, 0.0012429600000000, 0.0001052700000000 ] - [ -0.0002596100000000, 0.0020281500000000, -0.0005131000000000 ] - [ 0.0046126700000000, 0.0048647700000000, 0.0008697100000000 ] - [ -0.0008825200000000, 0.0015291100000000, -0.0026815400000000 ] - [ 0.0005695200000000, -0.0003413300000000, 0.0000746600000000 ] - [ 0.0009534600000000, 0.0006079800000000, -0.0002101200000000 ] - [ -0.0013153900000000, -0.0005202200000000, 0.0005588400000000 ] - [ 0.0000813500000000, -0.0002654100000000, 0.0004385900000000 ] - [ 0.0003174000000000, 0.0007320400000000, -0.0005373800000000 ] - [ -0.0012566200000000, -0.0000721100000000, -0.0013471600000000 ] - [ 0.0008286300000000, -0.0049958000000000, 0.0010042700000000 ] - [ -0.0000989200000000, 0.0002411700000000, 0.0001199200000000 ] - [ 0.1268888100000000, 0.1401537400000000, 0.0802247700000000 ] - [ -0.0009709300000000, 0.0009683600000000, -0.0008682300000000 ] - [ -0.0012923000000000, 0.0001975400000000, -0.0013505200000000 ] - [ -0.0016485500000000, 0.0016442700000000, -0.0008736800000000 ] - [ -0.0007411900000000, -0.0001267300000000, 0.0003652400000000 ] - [ -0.0004386200000000, 0.0023315500000000, 0.0008691300000000 ] - [ -0.0006798300000000, 0.0001618000000000, -0.0001055900000000 ] - [ 0.0000997000000000, -0.0002246600000000, 0.0000540900000000 ] - [ 0.0014355900000000, 0.0012956700000000, -0.0016971300000000 ] - [ -0.0159443100000000, -0.0015792300000000, -0.0304029800000000 ] - [ 0.0003653800000000, 0.0005091900000000, -0.0001275000000000 ] - [ -0.0006229600000000, -0.0002359800000000, -0.0003000500000000 ] - [ -0.0298436600000000, 0.0039346200000000, 0.0000187900000000 ] - [ -0.0011325000000000, 0.0003581100000000, -0.0016506200000000 ] - [ 0.0002893400000000, -0.0003977200000000, 0.0001093000000000 ] - [ -0.0012846100000000, -0.0025519300000000, 0.0030709800000000 ] - [ -0.0008588400000000, 0.0011214100000000, 0.0000630600000000 ] - [ -0.0001991400000000, -0.0019289700000000, -0.0001590600000000 ] - [ -0.0009272500000000, -0.0001760700000000, 0.0000668900000000 ] - [ 0.0013637100000000, -0.0010941800000000, 0.0005103400000000 ] - [ -0.0002856800000000, 0.0001072300000000, 0.0004400600000000 ] - [ 0.0001780400000000, -0.0009924300000000, -0.0001674500000000 ] - [ 0.0006300200000000, 0.0008415400000000, -0.0006710500000000 ] - [ 0.0003915300000000, -0.0015965700000000, 0.0001116200000000 ] - [ -0.0006117200000000, -0.0017209400000000, -0.0000547700000000 ] - [ 0.0022339700000000, -0.0005958600000000, 0.0016997100000000 ] - [ -0.0004419000000000, 0.0001668600000000, -0.0000472400000000 ] - [ -0.0006895000000000, -0.0001821700000000, -0.0000450700000000 ] - [ -0.0006916800000000, -0.0002740400000000, -0.0000207900000000 ] - [ -0.0004073300000000, -0.0094262600000000, -0.0014589400000000 ]- atom: 55 displacement: [ -0.0029959570305193, 0.0000000000000000, 0.0095406625279003 ] forces: - [ -0.0021006500000000, -0.0012843600000000, 0.0032895700000000 ] - [ -0.0005415500000000, 0.0005084800000000, -0.0002039400000000 ] - [ -0.0022649300000000, -0.0009137300000000, 0.0074445000000000 ] - [ 0.0002571600000000, -0.0004012400000000, -0.0007331400000000 ] - [ 0.0003035000000000, -0.0003294600000000, 0.0002766700000000 ] - [ 0.0019713700000000, 0.0012067700000000, -0.0024813300000000 ] - [ 0.0000077200000000, 0.0005392700000000, -0.0012384000000000 ] - [ 0.0003604200000000, 0.0002425000000000, 0.0005459300000000 ] - [ 0.0004474500000000, -0.0000295600000000, 0.0003048000000000 ] - [ 0.0004719700000000, -0.0000903900000000, -0.0008633700000000 ] - [ -0.0000517900000000, 0.0003405700000000, -0.0001472100000000 ] - [ 0.0008301600000000, -0.0008061000000000, -0.0028165600000000 ] - [ 0.0004761000000000, -0.0020843500000000, 0.0011026000000000 ] - [ -0.0001407200000000, -0.0003457400000000, -0.0001133400000000 ] - [ -0.0006669300000000, 0.0003997400000000, -0.0003822900000000 ] - [ 0.0012494000000000, -0.0011910000000000, 0.0029771500000000 ] - [ -0.0001971600000000, 0.0004361000000000, -0.0004598700000000 ] - [ -0.0011446900000000, 0.0005204300000000, -0.0004887600000000 ] - [ 0.0000179200000000, 0.0002490000000000, -0.0013852800000000 ] - [ 0.0024442600000000, 0.0003053300000000, -0.0011798700000000 ] - [ 0.0002987000000000, 0.0005682200000000, 0.0012764100000000 ] - [ 0.0007204600000000, 0.0007232900000000, -0.0002419400000000 ] - [ -0.0004143800000000, -0.0010789400000000, 0.0019501500000000 ] - [ -0.0040920300000000, 0.0006771100000000, 0.0067204300000000 ] - [ 0.0000910100000000, -0.0002918800000000, -0.0007833700000000 ] - [ -0.0016661400000000, 0.0016806500000000, -0.0024834100000000 ] - [ -0.0005019800000000, 0.0003690800000000, -0.0006504900000000 ] - [ 0.0005925800000000, -0.0003989500000000, -0.0004196800000000 ] - [ -0.0006981300000000, 0.0001919100000000, -0.0007083300000000 ] - [ -0.0000881300000000, 0.0001847000000000, 0.0000803500000000 ] - [ 0.0004217400000000, 0.0014758900000000, 0.0009128300000000 ] - [ -0.0031068500000000, -0.0003000100000000, 0.0019437900000000 ] - [ -0.0001623200000000, -0.0004080000000000, 0.0011371100000000 ] - [ -0.0001192600000000, -0.0005361900000000, 0.0003393000000000 ] - [ 0.0002893600000000, -0.0005600000000000, -0.0007988000000000 ] - [ 0.0006892300000000, -0.0004255300000000, -0.0006228600000000 ] - [ -0.0012832300000000, -0.0005751200000000, -0.0004924000000000 ] - [ 0.0015328900000000, -0.0019699400000000, -0.0030581700000000 ] - [ 0.0008117900000000, -0.0001255000000000, -0.0002324800000000 ] - [ -0.0018025300000000, 0.0006430300000000, 0.0007854100000000 ] - [ 0.0011314500000000, 0.0010158700000000, -0.0051050100000000 ] - [ 0.0130222400000000, 0.0242374600000000, 0.0768132300000000 ] - [ 0.0006603500000000, 0.0007296300000000, -0.0011607100000000 ] - [ -0.0011103000000000, 0.0002028600000000, 0.0020620100000000 ] - [ -0.0018801300000000, 0.0014411400000000, 0.0024416000000000 ] - [ 0.0010834000000000, 0.0005131100000000, -0.0022656900000000 ] - [ -0.0005412600000000, -0.0001746200000000, -0.0007445900000000 ] - [ 0.0002086400000000, 0.0004287600000000, 0.0003000000000000 ] - [ -0.0003303100000000, -0.0001266500000000, -0.0002800900000000 ] - [ -0.0008133500000000, 0.0002335700000000, 0.0012674400000000 ] - [ 0.0019037600000000, 0.0002193400000000, 0.0019212400000000 ] - [ 0.0006321800000000, -0.0002249000000000, -0.0012372000000000 ] - [ 0.0018514900000000, -0.0000915600000000, -0.0027673500000000 ] - [ 0.0000650800000000, 0.0000758600000000, 0.0004020400000000 ] - [ -0.0101230500000000, -0.0373076400000000, -0.1071679300000000 ] - [ 0.0011916800000000, -0.0001108400000000, 0.0001483400000000 ] - [ 0.0008852200000000, 0.0010725900000000, 0.0003949500000000 ] - [ 0.0022657800000000, -0.0000026800000000, -0.0003645700000000 ] - [ -0.0000943700000000, -0.0001034300000000, 0.0011040000000000 ] - [ -0.0060032800000000, 0.0010859300000000, 0.0005043700000000 ] - [ -0.0011097000000000, -0.0002487800000000, 0.0019626500000000 ] - [ -0.0006848300000000, 0.0004761400000000, 0.0004185000000000 ] - [ -0.0030196100000000, 0.0003402300000000, 0.0049667900000000 ] - [ 0.0279733600000000, 0.0265709500000000, 0.0270083100000000 ] - [ -0.0007349300000000, -0.0006636800000000, 0.0034754800000000 ] - [ -0.0003156000000000, -0.0003299800000000, -0.0006828400000000 ] - [ -0.0210799000000000, -0.0117892600000000, -0.0171643900000000 ] - [ 0.0023823200000000, -0.0002138800000000, 0.0007163700000000 ] - [ 0.0000764700000000, -0.0002364600000000, 0.0012909700000000 ] - [ -0.0012511200000000, -0.0020066300000000, 0.0014280200000000 ] - [ -0.0007599600000000, 0.0004430900000000, -0.0005357900000000 ] - [ 0.0012512900000000, -0.0026587400000000, 0.0003961300000000 ] - [ -0.0004721500000000, 0.0000890400000000, -0.0001010100000000 ] - [ -0.0002157400000000, 0.0005109200000000, 0.0012319700000000 ] - [ -0.0006377600000000, 0.0001890400000000, 0.0009520500000000 ] - [ -0.0011369900000000, 0.0000419600000000, 0.0002281400000000 ] - [ -0.0018127900000000, -0.0006056300000000, 0.0038404400000000 ] - [ 0.0008026200000000, -0.0008438800000000, -0.0017557000000000 ] - [ 0.0012609500000000, 0.0016825100000000, 0.0000856800000000 ] - [ 0.0016612700000000, -0.0012658800000000, -0.0009332500000000 ] - [ 0.0002212500000000, -0.0000304300000000, 0.0004105200000000 ] - [ -0.0004376100000000, -0.0002920500000000, -0.0001938000000000 ] - [ 0.0004511800000000, -0.0002430900000000, 0.0007371900000000 ] - [ 0.0003409600000000, 0.0008545800000000, -0.0021502200000000 ]- atom: 55 displacement: [ 0.0029959570305193, 0.0000000000000000, -0.0095406625279003 ] forces: - [ 0.0013474600000000, 0.0005885700000000, -0.0030310800000000 ] - [ 0.0004923200000000, 0.0002507100000000, 0.0004441100000000 ] - [ 0.0021609500000000, 0.0015049900000000, -0.0069633000000000 ] - [ 0.0004751100000000, -0.0002706500000000, 0.0004936600000000 ] - [ -0.0003560900000000, -0.0004275500000000, -0.0000354300000000 ] - [ -0.0018351000000000, -0.0019363700000000, 0.0019898300000000 ] - [ -0.0007428200000000, 0.0001341200000000, 0.0014691800000000 ] - [ 0.0003678700000000, 0.0004307300000000, -0.0007812800000000 ] - [ -0.0011988800000000, -0.0006474200000000, -0.0000668000000000 ] - [ -0.0005049200000000, 0.0008427300000000, 0.0011054000000000 ] - [ 0.0000897200000000, 0.0004180800000000, -0.0000944100000000 ] - [ -0.0000878400000000, 0.0001337700000000, 0.0025752800000000 ] - [ -0.0005117000000000, 0.0013117200000000, -0.0008631000000000 ] - [ 0.0001811000000000, -0.0004130600000000, -0.0001333100000000 ] - [ -0.0000719400000000, 0.0002715700000000, 0.0006142800000000 ] - [ -0.0005446300000000, 0.0019073100000000, -0.0031924700000000 ] - [ -0.0005291800000000, 0.0002505900000000, 0.0010026500000000 ] - [ 0.0011368700000000, -0.0009482200000000, 0.0004870100000000 ] - [ -0.0005403700000000, 0.0005827800000000, 0.0012752200000000 ] - [ -0.0017107900000000, 0.0004002900000000, 0.0006684300000000 ] - [ 0.0002225100000000, 0.0002699700000000, -0.0011711900000000 ] - [ -0.0007230400000000, -0.0002879000000000, 0.0002407100000000 ] - [ -0.0003333800000000, 0.0004127600000000, -0.0014230300000000 ] - [ 0.0035446200000000, -0.0014845600000000, -0.0067640100000000 ] - [ 0.0004272600000000, -0.0005413700000000, 0.0008809100000000 ] - [ 0.0023998400000000, -0.0023556900000000, 0.0019319600000000 ] - [ -0.0002327000000000, 0.0003236000000000, 0.0011869300000000 ] - [ -0.0005891100000000, -0.0000378700000000, 0.0004230300000000 ] - [ 0.0001630500000000, 0.0006450400000000, 0.0006079100000000 ] - [ 0.0008312900000000, 0.0005000300000000, -0.0006083900000000 ] - [ 0.0001087400000000, -0.0006775000000000, -0.0007937000000000 ] - [ 0.0030937300000000, 0.0007181600000000, -0.0019651700000000 ] - [ -0.0005807900000000, -0.0002801200000000, -0.0006071900000000 ] - [ -0.0004116100000000, -0.0003026400000000, -0.0004447800000000 ] - [ 0.0002510100000000, -0.0002834700000000, 0.0008931300000000 ] - [ 0.0000410300000000, -0.0002686100000000, 0.0000799100000000 ] - [ 0.0012642000000000, 0.0013656700000000, 0.0004808000000000 ] - [ -0.0015348600000000, 0.0011738200000000, 0.0030588200000000 ] - [ -0.0008420400000000, -0.0005945500000000, 0.0005505000000000 ] - [ 0.0017824900000000, 0.0000790200000000, -0.0004884500000000 ] - [ -0.0011017500000000, -0.0017317900000000, 0.0047839800000000 ] - [ -0.0130179300000000, -0.0233874500000000, -0.0764437900000000 ] - [ -0.0006647300000000, 0.0000641000000000, 0.0011678500000000 ] - [ 0.0011185600000000, -0.0009926600000000, -0.0020686400000000 ] - [ 0.0018672300000000, -0.0021421900000000, -0.0021074800000000 ] - [ -0.0010900800000000, 0.0001958700000000, 0.0025833800000000 ] - [ 0.0005454200000000, -0.0005380000000000, 0.0004296500000000 ] - [ -0.0002072900000000, 0.0002817900000000, -0.0006120000000000 ] - [ -0.0003636400000000, 0.0001616100000000, 0.0011456800000000 ] - [ 0.0015185700000000, -0.0001972600000000, -0.0021338200000000 ] - [ -0.0012718500000000, -0.0002714700000000, -0.0016059000000000 ] - [ -0.0001816900000000, -0.0001006900000000, 0.0011942000000000 ] - [ -0.0011512000000000, 0.0000692900000000, 0.0018898200000000 ] - [ 0.0003814200000000, 0.0002496100000000, -0.0004684400000000 ] - [ 0.0100407100000000, 0.0378896100000000, 0.1066999900000000 ] - [ -0.0007835400000000, 0.0004200700000000, -0.0005851000000000 ] - [ -0.0008768900000000, -0.0000570000000000, -0.0003848100000000 ] - [ -0.0028430000000000, -0.0000578000000000, 0.0000705600000000 ] - [ -0.0006049500000000, 0.0000693500000000, -0.0002359800000000 ] - [ 0.0066435400000000, -0.0010331600000000, -0.0001942400000000 ] - [ 0.0004967400000000, 0.0003019700000000, -0.0022603900000000 ] - [ 0.0006883700000000, -0.0014789800000000, -0.0004186300000000 ] - [ 0.0025457300000000, -0.0000108700000000, -0.0048905000000000 ] - [ -0.0287827600000000, -0.0272658100000000, -0.0271777300000000 ] - [ 0.0003263400000000, 0.0003484300000000, -0.0030243700000000 ] - [ 0.0007247100000000, 0.0000182200000000, 0.0002364000000000 ] - [ 0.0205474600000000, 0.0118901000000000, 0.0178990900000000 ] - [ -0.0016752200000000, 0.0002456600000000, -0.0015777000000000 ] - [ 0.0005436000000000, 0.0001880200000000, -0.0009927200000000 ] - [ 0.0016945300000000, 0.0016914300000000, -0.0014953000000000 ] - [ 0.0014849900000000, -0.0004837100000000, -0.0003394900000000 ] - [ -0.0008065400000000, 0.0029601200000000, -0.0004580100000000 ] - [ 0.0000873900000000, 0.0002269800000000, 0.0005503000000000 ] - [ 0.0006017700000000, -0.0001924300000000, -0.0016798900000000 ] - [ 0.0006425300000000, 0.0008117900000000, -0.0009652400000000 ] - [ 0.0005178300000000, -0.0000864000000000, -0.0005377700000000 ] - [ 0.0010917400000000, 0.0005707100000000, -0.0029617700000000 ] - [ -0.0001836700000000, 0.0009017400000000, 0.0020638700000000 ] - [ -0.0018849200000000, -0.0016349000000000, -0.0003813300000000 ] - [ -0.0016594400000000, 0.0002536500000000, 0.0009418200000000 ] - [ -0.0006559900000000, 0.0003531200000000, -0.0003477400000000 ] - [ 0.0000017100000000, -0.0000328400000000, 0.0002584000000000 ] - [ -0.0008396800000000, -0.0000718900000000, -0.0002866700000000 ] - [ 0.0000365000000000, -0.0011543800000000, 0.0016879000000000 ]- atom: 57 displacement: [ 0.0099999877275060, 0.0000000000000000, -0.0000156668353337 ] forces: - [ 0.0029327400000000, -0.0007892300000000, -0.0014192300000000 ] - [ -0.0011110000000000, 0.0018677700000000, -0.0002929300000000 ] - [ -0.0010840800000000, -0.0010906700000000, -0.0005461000000000 ] - [ 0.0036956700000000, 0.0001266900000000, -0.0016226400000000 ] - [ 0.0001237200000000, -0.0002146600000000, 0.0001767100000000 ] - [ 0.0001640700000000, -0.0005415000000000, -0.0000684000000000 ] - [ -0.0003944900000000, 0.0005034900000000, 0.0011142400000000 ] - [ 0.0003458500000000, 0.0001509700000000, 0.0008716100000000 ] - [ -0.0009931500000000, -0.0003039000000000, -0.0000081300000000 ] - [ -0.0030662700000000, 0.0013927100000000, 0.0004545700000000 ] - [ -0.0030475100000000, -0.0006496600000000, 0.0002179100000000 ] - [ -0.0002634200000000, -0.0003684000000000, -0.0002462700000000 ] - [ -0.0001848000000000, -0.0002689000000000, -0.0002985000000000 ] - [ -0.0001389800000000, -0.0004909500000000, -0.0005408500000000 ] - [ -0.0017077100000000, 0.0005353900000000, -0.0006220200000000 ] - [ -0.0009679500000000, 0.0001379500000000, -0.0008519500000000 ] - [ -0.0011946100000000, 0.0003917700000000, 0.0000333200000000 ] - [ 0.0027666200000000, -0.0002414500000000, -0.0014303300000000 ] - [ -0.0009396300000000, -0.0010471100000000, 0.0027238000000000 ] - [ -0.0004657900000000, 0.0002918700000000, -0.0005061900000000 ] - [ -0.0003912900000000, 0.0019121800000000, 0.0028242200000000 ] - [ 0.0007435500000000, 0.0002229800000000, 0.0012446400000000 ] - [ -0.0009678000000000, -0.0003024100000000, 0.0000571300000000 ] - [ 0.0014920200000000, 0.0000046600000000, 0.0009808100000000 ] - [ 0.0020388600000000, -0.0008548000000000, 0.0011082500000000 ] - [ -0.0002389900000000, -0.0003792600000000, -0.0004846200000000 ] - [ 0.0123373800000000, -0.0078621000000000, -0.0056908300000000 ] - [ -0.0009865700000000, -0.0002176400000000, -0.0001963800000000 ] - [ -0.0013372800000000, 0.0003113800000000, -0.0003328800000000 ] - [ 0.0131143200000000, 0.0088485600000000, -0.0064414500000000 ] - [ -0.0008162400000000, 0.0005185200000000, -0.0002245000000000 ] - [ -0.0005968100000000, 0.0002168800000000, -0.0004235000000000 ] - [ 0.0009001000000000, -0.0005722500000000, 0.0008191800000000 ] - [ -0.0009152900000000, -0.0004923400000000, -0.0001594000000000 ] - [ -0.0003961100000000, -0.0003438900000000, -0.0000577300000000 ] - [ 0.0016294100000000, -0.0001146600000000, 0.0002773800000000 ] - [ 0.0552540700000000, 0.0011301400000000, -0.0024458000000000 ] - [ -0.0006065600000000, -0.0004087200000000, 0.0008056400000000 ] - [ -0.0014423800000000, -0.0003537200000000, 0.0011659600000000 ] - [ -0.0013353700000000, 0.0006954900000000, -0.0005568700000000 ] - [ -0.0014381500000000, -0.0003499700000000, 0.0008397200000000 ] - [ -0.0013262100000000, 0.0000149300000000, -0.0008660800000000 ] - [ -0.0007038200000000, 0.0003979400000000, 0.0007970800000000 ] - [ -0.0002739300000000, -0.0003991800000000, -0.0001817600000000 ] - [ 0.0024966900000000, 0.0024722800000000, -0.0036768700000000 ] - [ -0.0026621700000000, 0.0006368000000000, 0.0015797400000000 ] - [ 0.0025275000000000, -0.0032282400000000, -0.0039969300000000 ] - [ -0.0026543000000000, 0.0000779400000000, 0.0012725200000000 ] - [ 0.0014247500000000, 0.0017578400000000, -0.0043980200000000 ] - [ 0.0021273700000000, -0.0017138500000000, -0.0052303200000000 ] - [ -0.0128444200000000, 0.0215718500000000, -0.0087668600000000 ] - [ 0.0008608800000000, -0.0002734400000000, 0.0007828400000000 ] - [ -0.0034152800000000, -0.0019180400000000, 0.0006140500000000 ] - [ 0.0020674700000000, -0.0004422000000000, -0.0003711500000000 ] - [ 0.0001612000000000, 0.0014472200000000, 0.0012560000000000 ] - [ 0.0005486300000000, -0.0011423700000000, 0.0008122300000000 ] - [ -0.0591280600000000, -0.0007043100000000, 0.0372474200000000 ] - [ -0.0136628500000000, -0.0214986700000000, -0.0090431000000000 ] - [ -0.0041369800000000, 0.0019060700000000, 0.0014872300000000 ] - [ -0.0001740300000000, -0.0002343700000000, -0.0013962600000000 ] - [ -0.0007945000000000, 0.0002909100000000, -0.0017163500000000 ] - [ -0.0006380500000000, -0.0004944400000000, -0.0007516900000000 ] - [ 0.0016173100000000, 0.0007567700000000, -0.0002972800000000 ] - [ 0.0004206800000000, -0.0000494300000000, 0.0008459300000000 ] - [ 0.0006938000000000, -0.0000639900000000, -0.0002177600000000 ] - [ 0.0010724800000000, -0.0002564200000000, -0.0006679900000000 ] - [ 0.0008054800000000, -0.0001272400000000, 0.0007758800000000 ] - [ 0.0015042500000000, 0.0001635900000000, -0.0000865000000000 ] - [ 0.0015727900000000, 0.0001315800000000, 0.0000086700000000 ] - [ 0.0004152300000000, 0.0000954000000000, -0.0015633500000000 ] - [ 0.0018221900000000, 0.0000602900000000, -0.0008414300000000 ] - [ 0.0003718500000000, -0.0039381300000000, 0.0017493000000000 ] - [ 0.0010516200000000, 0.0004447000000000, -0.0000580700000000 ] - [ 0.0014488900000000, -0.0001303500000000, -0.0005016900000000 ] - [ 0.0008949300000000, 0.0005021900000000, 0.0000230100000000 ] - [ 0.0009501300000000, -0.0001840500000000, -0.0002931500000000 ] - [ 0.0011268600000000, -0.0000954300000000, 0.0000270200000000 ] - [ 0.0011659300000000, 0.0000571700000000, 0.0005211100000000 ] - [ 0.0005505800000000, -0.0000053600000000, 0.0002193000000000 ] - [ 0.0006687400000000, -0.0005025800000000, 0.0003648200000000 ] - [ -0.0000688100000000, 0.0043263600000000, 0.0018008400000000 ] - [ -0.0000237500000000, -0.0004246400000000, -0.0015032600000000 ] - [ 0.0006166200000000, 0.0020958000000000, 0.0022267200000000 ] - [ 0.0010121900000000, -0.0023820800000000, 0.0017665700000000 ]- atom: 57 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0010457200000000, 0.0044708300000000, 0.0008280400000000 ] - [ 0.0032881500000000, -0.0009843800000000, 0.0017756000000000 ] - [ -0.0032881500000000, -0.0009843800000000, -0.0017756000000000 ] - [ 0.0010457200000000, 0.0044708300000000, -0.0008280400000000 ] - [ 0.0004322500000000, -0.0000595600000000, 0.0001973200000000 ] - [ -0.0004322500000000, -0.0000595600000000, -0.0001973200000000 ] - [ -0.0012892200000000, -0.0027557700000000, 0.0003827900000000 ] - [ 0.0012892200000000, -0.0027557700000000, -0.0003827900000000 ] - [ -0.0001999100000000, -0.0006960500000000, 0.0001460700000000 ] - [ 0.0017578400000000, 0.0007436900000000, -0.0003136400000000 ] - [ -0.0017578400000000, 0.0007436900000000, 0.0003136400000000 ] - [ 0.0001999100000000, -0.0006960500000000, -0.0001460700000000 ] - [ 0.0000969200000000, -0.0005252900000000, 0.0007450300000000 ] - [ -0.0000969200000000, -0.0005252900000000, -0.0007450300000000 ] - [ -0.0006705800000000, 0.0009954900000000, 0.0001090100000000 ] - [ 0.0006705800000000, 0.0009954900000000, -0.0001090100000000 ] - [ -0.0003469500000000, 0.0001657500000000, 0.0002993700000000 ] - [ 0.0000000000000000, -0.0109282100000000, 0.0000000000000000 ] - [ -0.0030846000000000, 0.0037187200000000, 0.0027884400000000 ] - [ 0.0003469500000000, 0.0001657500000000, -0.0002993700000000 ] - [ 0.0030846000000000, 0.0037187200000000, -0.0027884400000000 ] - [ 0.0000000000000000, 0.0016054100000000, 0.0000000000000000 ] - [ -0.0002284100000000, -0.0002811400000000, 0.0001898000000000 ] - [ -0.0034734700000000, -0.0038837800000000, -0.0038876500000000 ] - [ 0.0034734700000000, -0.0038837800000000, 0.0038876500000000 ] - [ 0.0002284100000000, -0.0002811400000000, -0.0001898000000000 ] - [ -0.0094594200000000, 0.0185936000000000, 0.0099508100000000 ] - [ 0.0000000000000000, 0.0001244700000000, 0.0000000000000000 ] - [ -0.0009435300000000, 0.0000648200000000, -0.0002502100000000 ] - [ 0.0094594200000000, 0.0185936000000000, -0.0099508100000000 ] - [ 0.0009435300000000, 0.0000648200000000, 0.0002502100000000 ] - [ 0.0000000000000000, -0.0000413100000000, 0.0000000000000000 ] - [ -0.0009021200000000, -0.0006486700000000, 0.0014166700000000 ] - [ -0.0002358100000000, -0.0001595600000000, -0.0001018300000000 ] - [ 0.0002358100000000, -0.0001595600000000, 0.0001018300000000 ] - [ 0.0009021200000000, -0.0006486700000000, -0.0014166700000000 ] - [ 0.0000000000000000, 0.2515466300000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0037565100000000, 0.0000000000000000 ] - [ 0.0013672800000000, 0.0006685700000000, 0.0009814000000000 ] - [ 0.0010481700000000, -0.0008811700000000, 0.0004862700000000 ] - [ -0.0013672800000000, 0.0006685700000000, -0.0009814000000000 ] - [ -0.0010481700000000, -0.0008811700000000, -0.0004862700000000 ] - [ 0.0000000000000000, -0.0001963900000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000734500000000, 0.0000000000000000 ] - [ 0.0038017300000000, -0.0032752500000000, 0.0040808500000000 ] - [ 0.0011062400000000, -0.0001007900000000, -0.0004719400000000 ] - [ -0.0038017300000000, -0.0032752500000000, -0.0040808500000000 ] - [ -0.0011062400000000, -0.0001007900000000, 0.0004719400000000 ] - [ 0.0014262000000000, -0.0017937800000000, -0.0018264600000000 ] - [ -0.0014262000000000, -0.0017937800000000, 0.0018264600000000 ] - [ 0.0168999700000000, 0.0480176400000000, -0.0266243300000000 ] - [ -0.0000386500000000, 0.0005238400000000, -0.0003086400000000 ] - [ -0.0001435200000000, 0.0076510600000000, -0.0043309200000000 ] - [ -0.0001565700000000, -0.0005935100000000, -0.0005996500000000 ] - [ 0.0019297500000000, 0.0004713200000000, 0.0014846800000000 ] - [ -0.0019297500000000, 0.0004713200000000, -0.0014846800000000 ] - [ 0.0000000000000000, -0.4005498100000000, 0.0000000000000000 ] - [ -0.0168999700000000, 0.0480176400000000, 0.0266243300000000 ] - [ 0.0001435200000000, 0.0076510600000000, 0.0043309200000000 ] - [ 0.0006071500000000, 0.0006897500000000, 0.0030949900000000 ] - [ -0.0006071500000000, 0.0006897500000000, -0.0030949900000000 ] - [ 0.0000000000000000, 0.0019746500000000, 0.0000000000000000 ] - [ 0.0001565700000000, -0.0005935100000000, 0.0005996500000000 ] - [ 0.0000386500000000, 0.0005238400000000, 0.0003086400000000 ] - [ 0.0024023200000000, -0.0004228600000000, 0.0000202800000000 ] - [ -0.0024023200000000, -0.0004228600000000, -0.0000202800000000 ] - [ 0.0000609100000000, 0.0007052200000000, 0.0002580400000000 ] - [ -0.0000609100000000, 0.0007052200000000, -0.0002580400000000 ] - [ 0.0007326300000000, -0.0000141800000000, 0.0001140200000000 ] - [ -0.0000318500000000, -0.0008153000000000, 0.0002474600000000 ] - [ -0.0004764900000000, -0.0004957700000000, -0.0003295100000000 ] - [ -0.0040779400000000, 0.0104763100000000, -0.0002764900000000 ] - [ 0.0002248100000000, 0.0005478300000000, 0.0000298300000000 ] - [ -0.0002248100000000, 0.0005478300000000, -0.0000298300000000 ] - [ 0.0000000000000000, 0.0010147900000000, 0.0000000000000000 ] - [ -0.0007326300000000, -0.0000141800000000, -0.0001140200000000 ] - [ 0.0004764900000000, -0.0004957700000000, 0.0003295100000000 ] - [ 0.0001617100000000, -0.0000402200000000, 0.0000529000000000 ] - [ -0.0001617100000000, -0.0000402200000000, -0.0000529000000000 ] - [ 0.0000000000000000, -0.0008665200000000, 0.0000000000000000 ] - [ 0.0040779400000000, 0.0104763100000000, 0.0002764900000000 ] - [ 0.0000318500000000, -0.0008153000000000, -0.0002474600000000 ] - [ 0.0014011700000000, -0.0000777500000000, 0.0015228900000000 ] - [ -0.0014011700000000, -0.0000777500000000, -0.0015228900000000 ]- atom: 57 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0003113600000000, -0.0051566800000000, -0.0006287300000000 ] - [ -0.0033417600000000, 0.0017259000000000, -0.0015444700000000 ] - [ 0.0033417600000000, 0.0017259000000000, 0.0015444700000000 ] - [ -0.0003113600000000, -0.0051566800000000, 0.0006287300000000 ] - [ -0.0004776900000000, -0.0007026700000000, 0.0000469100000000 ] - [ 0.0004776900000000, -0.0007026700000000, -0.0000469100000000 ] - [ 0.0005696600000000, 0.0034419800000000, -0.0001585300000000 ] - [ -0.0005696600000000, 0.0034419800000000, 0.0001585300000000 ] - [ -0.0005358800000000, 0.0000276500000000, 0.0000910900000000 ] - [ -0.0018157800000000, 0.0000293600000000, 0.0005576900000000 ] - [ 0.0018157800000000, 0.0000293600000000, -0.0005576900000000 ] - [ 0.0005358800000000, 0.0000276500000000, -0.0000910900000000 ] - [ -0.0001391300000000, -0.0002284200000000, -0.0005017300000000 ] - [ 0.0001391300000000, -0.0002284200000000, 0.0005017300000000 ] - [ -0.0000509300000000, -0.0003259400000000, 0.0001324700000000 ] - [ 0.0000509300000000, -0.0003259400000000, -0.0001324700000000 ] - [ -0.0003837800000000, 0.0005154300000000, 0.0002344200000000 ] - [ 0.0000000000000000, 0.0105164500000000, 0.0000000000000000 ] - [ 0.0025520800000000, -0.0029231700000000, -0.0028721900000000 ] - [ 0.0003837800000000, 0.0005154300000000, -0.0002344200000000 ] - [ -0.0025520800000000, -0.0029231700000000, 0.0028721900000000 ] - [ 0.0000000000000000, -0.0011799500000000, 0.0000000000000000 ] - [ -0.0005032600000000, -0.0004030600000000, 0.0003447500000000 ] - [ 0.0029667800000000, 0.0030482300000000, 0.0038104900000000 ] - [ -0.0029667800000000, 0.0030482300000000, -0.0038104900000000 ] - [ 0.0005032600000000, -0.0004030600000000, -0.0003447500000000 ] - [ 0.0081409100000000, -0.0172317400000000, -0.0087465200000000 ] - [ 0.0000000000000000, -0.0005609000000000, 0.0000000000000000 ] - [ 0.0004343700000000, 0.0007553400000000, 0.0001462000000000 ] - [ -0.0081409100000000, -0.0172317400000000, 0.0087465200000000 ] - [ -0.0004343700000000, 0.0007553400000000, -0.0001462000000000 ] - [ 0.0000000000000000, 0.0004802500000000, 0.0000000000000000 ] - [ 0.0001699000000000, -0.0000237400000000, -0.0008829400000000 ] - [ -0.0002748900000000, -0.0006695000000000, 0.0000081100000000 ] - [ 0.0002748900000000, -0.0006695000000000, -0.0000081100000000 ] - [ -0.0001699000000000, -0.0000237400000000, 0.0008829400000000 ] - [ 0.0000000000000000, -0.2708844200000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0029676800000000, 0.0000000000000000 ] - [ -0.0013888700000000, -0.0013923500000000, -0.0006831400000000 ] - [ -0.0010569600000000, 0.0015964000000000, -0.0001769100000000 ] - [ 0.0013888700000000, -0.0013923500000000, 0.0006831400000000 ] - [ 0.0010569600000000, 0.0015964000000000, 0.0001769100000000 ] - [ 0.0000000000000000, 0.0010029200000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0008762800000000, 0.0000000000000000 ] - [ -0.0037616800000000, 0.0025767300000000, -0.0037245100000000 ] - [ -0.0011445100000000, 0.0008192500000000, 0.0007899900000000 ] - [ 0.0037616800000000, 0.0025767300000000, 0.0037245100000000 ] - [ 0.0011445100000000, 0.0008192500000000, -0.0007899900000000 ] - [ -0.0021644700000000, 0.0018005100000000, 0.0027352000000000 ] - [ 0.0021644700000000, 0.0018005100000000, -0.0027352000000000 ] - [ -0.0166013500000000, -0.0487853700000000, 0.0274225700000000 ] - [ 0.0004819100000000, -0.0008463400000000, 0.0002412300000000 ] - [ 0.0008317500000000, -0.0076896400000000, 0.0034186800000000 ] - [ 0.0005956700000000, 0.0009275800000000, 0.0005401000000000 ] - [ -0.0023310900000000, -0.0001358000000000, -0.0010380400000000 ] - [ 0.0023310900000000, -0.0001358000000000, 0.0010380400000000 ] - [ 0.0000000000000000, 0.4217890400000000, 0.0000000000000000 ] - [ 0.0166013500000000, -0.0487853700000000, -0.0274225700000000 ] - [ -0.0008317500000000, -0.0076896400000000, -0.0034186800000000 ] - [ 0.0000085600000000, -0.0006311800000000, -0.0028121900000000 ] - [ -0.0000085600000000, -0.0006311800000000, 0.0028121900000000 ] - [ 0.0000000000000000, -0.0029862600000000, 0.0000000000000000 ] - [ -0.0005956700000000, 0.0009275800000000, -0.0005401000000000 ] - [ -0.0004819100000000, -0.0008463400000000, -0.0002412300000000 ] - [ -0.0028195000000000, 0.0001202200000000, 0.0004295200000000 ] - [ 0.0028195000000000, 0.0001202200000000, -0.0004295200000000 ] - [ -0.0007616100000000, -0.0006715500000000, 0.0006043900000000 ] - [ 0.0007616100000000, -0.0006715500000000, -0.0006043900000000 ] - [ -0.0001125200000000, -0.0000378300000000, 0.0001864000000000 ] - [ 0.0004806100000000, 0.0004941600000000, -0.0003194300000000 ] - [ 0.0011817500000000, 0.0004682000000000, -0.0005330500000000 ] - [ 0.0044510200000000, -0.0101284400000000, 0.0002059800000000 ] - [ -0.0006302700000000, -0.0002441900000000, 0.0004150900000000 ] - [ 0.0006302700000000, -0.0002441900000000, -0.0004150900000000 ] - [ 0.0000000000000000, -0.0000179100000000, 0.0000000000000000 ] - [ 0.0001125200000000, -0.0000378300000000, -0.0001864000000000 ] - [ -0.0011817500000000, 0.0004682000000000, 0.0005330500000000 ] - [ 0.0004564100000000, 0.0000902700000000, 0.0002481300000000 ] - [ -0.0004564100000000, 0.0000902700000000, -0.0002481300000000 ] - [ 0.0000000000000000, -0.0001313500000000, 0.0000000000000000 ] - [ -0.0044510200000000, -0.0101284400000000, -0.0002059800000000 ] - [ -0.0004806100000000, 0.0004941600000000, 0.0003194300000000 ] - [ -0.0017876300000000, -0.0002692300000000, -0.0010693500000000 ] - [ 0.0017876300000000, -0.0002692300000000, 0.0010693500000000 ]- atom: 57 displacement: [ -0.0029959570305193, 0.0000000000000000, 0.0095406625279003 ] forces: - [ -0.0029647800000000, -0.0005915900000000, -0.0020820500000000 ] - [ 0.0005219000000000, 0.0001869700000000, 0.0019956800000000 ] - [ 0.0005428900000000, 0.0005600200000000, 0.0017427500000000 ] - [ -0.0021850500000000, -0.0000749900000000, -0.0021302500000000 ] - [ 0.0000529900000000, -0.0004640500000000, -0.0008590600000000 ] - [ 0.0000963900000000, -0.0002906000000000, -0.0011008800000000 ] - [ 0.0007815500000000, 0.0004672400000000, -0.0006468100000000 ] - [ 0.0015222100000000, 0.0001835700000000, -0.0008889100000000 ] - [ -0.0000746000000000, -0.0003167800000000, -0.0000166000000000 ] - [ 0.0011223500000000, -0.0000654300000000, 0.0011790500000000 ] - [ 0.0011648600000000, 0.0008268400000000, 0.0009321600000000 ] - [ 0.0006582600000000, -0.0003574200000000, -0.0002523000000000 ] - [ -0.0002151400000000, -0.0004590000000000, -0.0007965100000000 ] - [ -0.0001740700000000, -0.0003025000000000, -0.0010393800000000 ] - [ -0.0007927500000000, 0.0003845500000000, 0.0003200900000000 ] - [ -0.0000666700000000, 0.0002897600000000, 0.0000810100000000 ] - [ -0.0001726100000000, 0.0002842800000000, 0.0006381200000000 ] - [ -0.0024528600000000, -0.0002520200000000, 0.0042342700000000 ] - [ 0.0026664000000000, 0.0021249400000000, -0.0030851400000000 ] - [ 0.0005566100000000, 0.0003991700000000, 0.0000974700000000 ] - [ 0.0031941500000000, -0.0012469300000000, -0.0029950100000000 ] - [ 0.0001265200000000, 0.0002245200000000, -0.0022492200000000 ] - [ -0.0004438700000000, -0.0003937200000000, -0.0000461400000000 ] - [ -0.0015366500000000, -0.0008985600000000, -0.0016779000000000 ] - [ -0.0009913000000000, 0.0000423600000000, -0.0015500400000000 ] - [ 0.0002851800000000, -0.0002879300000000, -0.0005864400000000 ] - [ -0.0097751200000000, 0.0117140200000000, 0.0158139300000000 ] - [ 0.0003329700000000, -0.0002163100000000, 0.0002860900000000 ] - [ -0.0005754600000000, 0.0003645400000000, 0.0000154800000000 ] - [ -0.0087067100000000, -0.0103569400000000, 0.0149868200000000 ] - [ -0.0000549800000000, 0.0004650200000000, 0.0001196400000000 ] - [ -0.0002057700000000, 0.0002157700000000, -0.0002672200000000 ] - [ -0.0004493500000000, 0.0001442600000000, -0.0018530400000000 ] - [ 0.0000644900000000, -0.0004373900000000, -0.0000604500000000 ] - [ 0.0005889400000000, -0.0003976000000000, 0.0000408500000000 ] - [ 0.0002862900000000, -0.0008416600000000, -0.0024034000000000 ] - [ -0.0186344300000000, 0.0011036300000000, 0.0569749300000000 ] - [ 0.0022368500000000, -0.0004121200000000, -0.0033321200000000 ] - [ 0.0012735900000000, 0.0001500000000000, 0.0006844900000000 ] - [ -0.0013681100000000, 0.0010384800000000, -0.0007519800000000 ] - [ 0.0012804800000000, -0.0008602800000000, 0.0003741200000000 ] - [ -0.0013618900000000, -0.0003302900000000, -0.0010649800000000 ] - [ -0.0000715800000000, 0.0003992200000000, 0.0004214100000000 ] - [ 0.0001574500000000, -0.0003992500000000, -0.0005218400000000 ] - [ -0.0043534300000000, 0.0013359100000000, 0.0055035000000000 ] - [ 0.0047151100000000, 0.0002361400000000, -0.0036463500000000 ] - [ -0.0043719700000000, -0.0020699100000000, 0.0051830000000000 ] - [ 0.0047037000000000, 0.0004756600000000, -0.0039536000000000 ] - [ -0.0067597000000000, -0.0022485700000000, 0.0068954100000000 ] - [ -0.0061200500000000, 0.0023053000000000, 0.0060841400000000 ] - [ -0.0040927400000000, -0.0379053700000000, -0.0017105100000000 ] - [ 0.0005710200000000, -0.0003588900000000, 0.0009822800000000 ] - [ 0.0040043900000000, -0.0027878200000000, -0.0001604600000000 ] - [ -0.0004846400000000, 0.0001399100000000, -0.0008189800000000 ] - [ 0.0017312500000000, 0.0010639000000000, 0.0009468200000000 ] - [ 0.0021188900000000, -0.0007509900000000, 0.0004900000000000 ] - [ 0.0531155500000000, -0.0007749100000000, -0.0901449000000000 ] - [ -0.0047118300000000, 0.0377086900000000, -0.0018304300000000 ] - [ 0.0033093700000000, 0.0028036600000000, 0.0007214600000000 ] - [ -0.0007729100000000, 0.0009102800000000, 0.0036407800000000 ] - [ -0.0013912300000000, -0.0008566100000000, 0.0033168900000000 ] - [ -0.0005204700000000, -0.0004901700000000, 0.0021625000000000 ] - [ -0.0009223700000000, 0.0001824300000000, -0.0007582000000000 ] - [ 0.0001298800000000, 0.0000384800000000, 0.0010459700000000 ] - [ -0.0018455900000000, -0.0001342900000000, 0.0003353700000000 ] - [ -0.0014602300000000, -0.0001812500000000, -0.0001048600000000 ] - [ 0.0003332300000000, 0.0001948500000000, 0.0003747900000000 ] - [ 0.0010358500000000, -0.0001578800000000, -0.0004907000000000 ] - [ 0.0002791900000000, 0.0000075900000000, -0.0002854900000000 ] - [ -0.0009497100000000, -0.0007058300000000, 0.0042217700000000 ] - [ -0.0003893400000000, -0.0001911700000000, -0.0003689100000000 ] - [ 0.0004096600000000, -0.0002516100000000, -0.0053375100000000 ] - [ -0.0021625300000000, -0.0003479900000000, 0.0007656400000000 ] - [ -0.0017823200000000, 0.0006698500000000, 0.0003160300000000 ] - [ -0.0002455200000000, 0.0005007900000000, -0.0003915800000000 ] - [ -0.0003408900000000, -0.0000593600000000, -0.0005855300000000 ] - [ -0.0010897200000000, 0.0001555700000000, 0.0004941200000000 ] - [ 0.0002443900000000, 0.0000771900000000, 0.0005808100000000 ] - [ -0.0003746100000000, -0.0000266500000000, 0.0002795200000000 ] - [ 0.0001506000000000, -0.0005010100000000, 0.0004115400000000 ] - [ -0.0000038500000000, 0.0006175800000000, -0.0052842400000000 ] - [ -0.0013797300000000, 0.0003761300000000, 0.0042784100000000 ] - [ 0.0015232600000000, 0.0007990300000000, -0.0006962000000000 ] - [ 0.0019104800000000, -0.0011144600000000, -0.0011430400000000 ]