# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/d65df162-843a-4c18-a5e7-a446a8b7fe59/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 La2(SiO3)3 / P6_3/m (176) / materials id 756888](https://mdr.nims.go.jp/datasets/eb4517ea-5751-4144-a864-352a3eded60f) ## Fulltext phonopy: version: 2.17.1 frequency_unit_conversion_factor: 15.633302 symmetry_tolerance: 1.00000e-05 nac_unit_conversion_factor: 14.399652 configuration: save_params: ".true."physical_unit: atomic_mass: "AMU" length: "angstrom" force_constants: "eV/angstrom^2"space_group: type: "P6_3/m" number: 176 Hall_symbol: "-P 6c"supercell_matrix:- [ 2, 0, 0 ]- [ 0, 2, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 6.751925440000000, 0.000000020000000, 0.000000000000000 ] # a - [ -3.375962740000000, 5.847338940000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 10.159021780000000 ] # c points: - symbol: La # 1 coordinates: [ 0.333333330000000, 0.666666670000000, 0.972457250000000 ] mass: 138.905470 - symbol: La # 2 coordinates: [ 0.333333330000000, 0.666666670000000, 0.527542750000000 ] mass: 138.905470 - symbol: La # 3 coordinates: [ 0.666666670000000, 0.333333330000000, 0.472457250000000 ] mass: 138.905470 - symbol: La # 4 coordinates: [ 0.666666670000000, 0.333333330000000, 0.027542750000000 ] mass: 138.905470 - symbol: Si # 5 coordinates: [ 0.040670900000000, 0.276376150000000, 0.250000000000000 ] mass: 28.085500 - symbol: Si # 6 coordinates: [ 0.723623850000000, 0.764294750000000, 0.250000000000000 ] mass: 28.085500 - symbol: Si # 7 coordinates: [ 0.764294750000000, 0.040670900000000, 0.750000000000000 ] mass: 28.085500 - symbol: Si # 8 coordinates: [ 0.235705250000000, 0.959329100000000, 0.250000000000000 ] mass: 28.085500 - symbol: Si # 9 coordinates: [ 0.276376150000000, 0.235705250000000, 0.750000000000000 ] mass: 28.085500 - symbol: Si # 10 coordinates: [ 0.959329100000000, 0.723623850000000, 0.750000000000000 ] mass: 28.085500 - symbol: O # 11 coordinates: [ 0.034629840000000, 0.242998120000000, 0.750000000000000 ] mass: 15.999400 - symbol: O # 12 coordinates: [ 0.042196750000000, 0.409027030000000, 0.116304760000000 ] mass: 15.999400 - symbol: O # 13 coordinates: [ 0.042196750000000, 0.409027030000000, 0.383695240000000 ] mass: 15.999400 - symbol: O # 14 coordinates: [ 0.590972970000000, 0.633169720000000, 0.383695240000000 ] mass: 15.999400 - symbol: O # 15 coordinates: [ 0.590972970000000, 0.633169720000000, 0.116304760000000 ] mass: 15.999400 - symbol: O # 16 coordinates: [ 0.757001880000000, 0.791631730000000, 0.750000000000000 ] mass: 15.999400 - symbol: O # 17 coordinates: [ 0.791631730000000, 0.034629840000000, 0.250000000000000 ] mass: 15.999400 - symbol: O # 18 coordinates: [ 0.366830280000000, 0.957803250000000, 0.116304760000000 ] mass: 15.999400 - symbol: O # 19 coordinates: [ 0.366830280000000, 0.957803250000000, 0.383695240000000 ] mass: 15.999400 - symbol: O # 20 coordinates: [ 0.633169720000000, 0.042196750000000, 0.616304760000000 ] mass: 15.999400 - symbol: O # 21 coordinates: [ 0.633169720000000, 0.042196750000000, 0.883695240000000 ] mass: 15.999400 - symbol: O # 22 coordinates: [ 0.208368270000000, 0.965370160000000, 0.750000000000000 ] mass: 15.999400 - symbol: O # 23 coordinates: [ 0.242998120000000, 0.208368270000000, 0.250000000000000 ] mass: 15.999400 - symbol: O # 24 coordinates: [ 0.409027030000000, 0.366830280000000, 0.616304760000000 ] mass: 15.999400 - symbol: O # 25 coordinates: [ 0.409027030000000, 0.366830280000000, 0.883695240000000 ] mass: 15.999400 - symbol: O # 26 coordinates: [ 0.957803250000000, 0.590972970000000, 0.616304760000000 ] mass: 15.999400 - symbol: O # 27 coordinates: [ 0.957803250000000, 0.590972970000000, 0.883695240000000 ] mass: 15.999400 - symbol: O # 28 coordinates: [ 0.965370160000000, 0.757001880000000, 0.250000000000000 ] mass: 15.999400 reciprocal_lattice: # without 2pi - [ 0.148105900631779, 0.085508982331547, 0.000000000000000 ] # a* - [ -0.000000000506575, 0.171017963649944, 0.000000000000000 ] # b* - [ 0.000000000000000, 0.000000000000000, 0.098434674288099 ] # c*unit_cell: lattice: - [ 6.751925440000000, 0.000000020000000, 0.000000000000000 ] # a - [ -3.375962740000000, 5.847338940000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 10.159021780000000 ] # c points: - symbol: La # 1 coordinates: [ 0.333333330000000, 0.666666670000000, 0.972457250000000 ] mass: 138.905470 reduced_to: 1 - symbol: La # 2 coordinates: [ 0.333333330000000, 0.666666670000000, 0.527542750000000 ] mass: 138.905470 reduced_to: 2 - symbol: La # 3 coordinates: [ 0.666666670000000, 0.333333330000000, 0.472457250000000 ] mass: 138.905470 reduced_to: 3 - symbol: La # 4 coordinates: [ 0.666666670000000, 0.333333330000000, 0.027542750000000 ] mass: 138.905470 reduced_to: 4 - symbol: Si # 5 coordinates: [ 0.040670900000000, 0.276376150000000, 0.250000000000000 ] mass: 28.085500 reduced_to: 5 - symbol: Si # 6 coordinates: [ 0.723623850000000, 0.764294750000000, 0.250000000000000 ] mass: 28.085500 reduced_to: 6 - symbol: Si # 7 coordinates: [ 0.764294750000000, 0.040670900000000, 0.750000000000000 ] mass: 28.085500 reduced_to: 7 - symbol: Si # 8 coordinates: [ 0.235705250000000, 0.959329100000000, 0.250000000000000 ] mass: 28.085500 reduced_to: 8 - symbol: Si # 9 coordinates: [ 0.276376150000000, 0.235705250000000, 0.750000000000000 ] mass: 28.085500 reduced_to: 9 - symbol: Si # 10 coordinates: [ 0.959329100000000, 0.723623850000000, 0.750000000000000 ] mass: 28.085500 reduced_to: 10 - symbol: O # 11 coordinates: [ 0.034629840000000, 0.242998120000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 11 - symbol: O # 12 coordinates: [ 0.042196750000000, 0.409027030000000, 0.116304760000000 ] mass: 15.999400 reduced_to: 12 - symbol: O # 13 coordinates: [ 0.042196750000000, 0.409027030000000, 0.383695240000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 14 coordinates: [ 0.590972970000000, 0.633169720000000, 0.383695240000000 ] mass: 15.999400 reduced_to: 14 - symbol: O # 15 coordinates: [ 0.590972970000000, 0.633169720000000, 0.116304760000000 ] mass: 15.999400 reduced_to: 15 - symbol: O # 16 coordinates: [ 0.757001880000000, 0.791631730000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 16 - symbol: O # 17 coordinates: [ 0.791631730000000, 0.034629840000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 18 coordinates: [ 0.366830280000000, 0.957803250000000, 0.116304760000000 ] mass: 15.999400 reduced_to: 18 - symbol: O # 19 coordinates: [ 0.366830280000000, 0.957803250000000, 0.383695240000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 20 coordinates: [ 0.633169720000000, 0.042196750000000, 0.616304760000000 ] mass: 15.999400 reduced_to: 20 - symbol: O # 21 coordinates: [ 0.633169720000000, 0.042196750000000, 0.883695240000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 22 coordinates: [ 0.208368270000000, 0.965370160000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 22 - symbol: O # 23 coordinates: [ 0.242998120000000, 0.208368270000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 23 - symbol: O # 24 coordinates: [ 0.409027030000000, 0.366830280000000, 0.616304760000000 ] mass: 15.999400 reduced_to: 24 - symbol: O # 25 coordinates: [ 0.409027030000000, 0.366830280000000, 0.883695240000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 26 coordinates: [ 0.957803250000000, 0.590972970000000, 0.616304760000000 ] mass: 15.999400 reduced_to: 26 - symbol: O # 27 coordinates: [ 0.957803250000000, 0.590972970000000, 0.883695240000000 ] mass: 15.999400 reduced_to: 27 - symbol: O # 28 coordinates: [ 0.965370160000000, 0.757001880000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 28supercell: lattice: - [ 13.503850880000000, 0.000000040000000, 0.000000000000000 ] # a - [ -6.751925480000000, 11.694677880000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 10.159021780000000 ] # c points: - symbol: La # 1 coordinates: [ 0.166666665000000, 0.333333335000000, 0.972457250000000 ] mass: 138.905470 reduced_to: 1 - symbol: La # 2 coordinates: [ 0.666666665000000, 0.333333335000000, 0.972457250000000 ] mass: 138.905470 reduced_to: 1 - symbol: La # 3 coordinates: [ 0.166666665000000, 0.833333335000000, 0.972457250000000 ] mass: 138.905470 reduced_to: 1 - symbol: La # 4 coordinates: [ 0.666666665000000, 0.833333335000000, 0.972457250000000 ] mass: 138.905470 reduced_to: 1 - symbol: La # 5 coordinates: [ 0.166666665000000, 0.333333335000000, 0.527542750000000 ] mass: 138.905470 reduced_to: 5 - symbol: La # 6 coordinates: [ 0.666666665000000, 0.333333335000000, 0.527542750000000 ] mass: 138.905470 reduced_to: 5 - symbol: La # 7 coordinates: [ 0.166666665000000, 0.833333335000000, 0.527542750000000 ] mass: 138.905470 reduced_to: 5 - symbol: La # 8 coordinates: [ 0.666666665000000, 0.833333335000000, 0.527542750000000 ] mass: 138.905470 reduced_to: 5 - symbol: La # 9 coordinates: [ 0.333333335000000, 0.166666665000000, 0.472457250000000 ] mass: 138.905470 reduced_to: 9 - symbol: La # 10 coordinates: [ 0.833333335000000, 0.166666665000000, 0.472457250000000 ] mass: 138.905470 reduced_to: 9 - symbol: La # 11 coordinates: [ 0.333333335000000, 0.666666665000000, 0.472457250000000 ] mass: 138.905470 reduced_to: 9 - symbol: La # 12 coordinates: [ 0.833333335000000, 0.666666665000000, 0.472457250000000 ] mass: 138.905470 reduced_to: 9 - symbol: La # 13 coordinates: [ 0.333333335000000, 0.166666665000000, 0.027542750000000 ] mass: 138.905470 reduced_to: 13 - symbol: La # 14 coordinates: [ 0.833333335000000, 0.166666665000000, 0.027542750000000 ] mass: 138.905470 reduced_to: 13 - symbol: La # 15 coordinates: [ 0.333333335000000, 0.666666665000000, 0.027542750000000 ] mass: 138.905470 reduced_to: 13 - symbol: La # 16 coordinates: [ 0.833333335000000, 0.666666665000000, 0.027542750000000 ] mass: 138.905470 reduced_to: 13 - symbol: Si # 17 coordinates: [ 0.020335450000000, 0.138188075000000, 0.250000000000000 ] mass: 28.085500 reduced_to: 17 - symbol: Si # 18 coordinates: [ 0.520335450000000, 0.138188075000000, 0.250000000000000 ] mass: 28.085500 reduced_to: 17 - symbol: Si # 19 coordinates: [ 0.020335450000000, 0.638188075000000, 0.250000000000000 ] mass: 28.085500 reduced_to: 17 - symbol: Si # 20 coordinates: [ 0.520335450000000, 0.638188075000000, 0.250000000000000 ] mass: 28.085500 reduced_to: 17 - symbol: Si # 21 coordinates: [ 0.361811925000000, 0.382147375000000, 0.250000000000000 ] mass: 28.085500 reduced_to: 21 - symbol: Si # 22 coordinates: [ 0.861811925000000, 0.382147375000000, 0.250000000000000 ] mass: 28.085500 reduced_to: 21 - symbol: Si # 23 coordinates: [ 0.361811925000000, 0.882147375000000, 0.250000000000000 ] mass: 28.085500 reduced_to: 21 - symbol: Si # 24 coordinates: [ 0.861811925000000, 0.882147375000000, 0.250000000000000 ] mass: 28.085500 reduced_to: 21 - symbol: Si # 25 coordinates: [ 0.382147375000000, 0.020335450000000, 0.750000000000000 ] mass: 28.085500 reduced_to: 25 - symbol: Si # 26 coordinates: [ 0.882147375000000, 0.020335450000000, 0.750000000000000 ] mass: 28.085500 reduced_to: 25 - symbol: Si # 27 coordinates: [ 0.382147375000000, 0.520335450000000, 0.750000000000000 ] mass: 28.085500 reduced_to: 25 - symbol: Si # 28 coordinates: [ 0.882147375000000, 0.520335450000000, 0.750000000000000 ] mass: 28.085500 reduced_to: 25 - symbol: Si # 29 coordinates: [ 0.117852625000000, 0.479664550000000, 0.250000000000000 ] mass: 28.085500 reduced_to: 29 - symbol: Si # 30 coordinates: [ 0.617852625000000, 0.479664550000000, 0.250000000000000 ] mass: 28.085500 reduced_to: 29 - symbol: Si # 31 coordinates: [ 0.117852625000000, 0.979664550000000, 0.250000000000000 ] mass: 28.085500 reduced_to: 29 - symbol: Si # 32 coordinates: [ 0.617852625000000, 0.979664550000000, 0.250000000000000 ] mass: 28.085500 reduced_to: 29 - symbol: Si # 33 coordinates: [ 0.138188075000000, 0.117852625000000, 0.750000000000000 ] mass: 28.085500 reduced_to: 33 - symbol: Si # 34 coordinates: [ 0.638188075000000, 0.117852625000000, 0.750000000000000 ] mass: 28.085500 reduced_to: 33 - symbol: Si # 35 coordinates: [ 0.138188075000000, 0.617852625000000, 0.750000000000000 ] mass: 28.085500 reduced_to: 33 - symbol: Si # 36 coordinates: [ 0.638188075000000, 0.617852625000000, 0.750000000000000 ] mass: 28.085500 reduced_to: 33 - symbol: Si # 37 coordinates: [ 0.479664550000000, 0.361811925000000, 0.750000000000000 ] mass: 28.085500 reduced_to: 37 - symbol: Si # 38 coordinates: [ 0.979664550000000, 0.361811925000000, 0.750000000000000 ] mass: 28.085500 reduced_to: 37 - symbol: Si # 39 coordinates: [ 0.479664550000000, 0.861811925000000, 0.750000000000000 ] mass: 28.085500 reduced_to: 37 - symbol: Si # 40 coordinates: [ 0.979664550000000, 0.861811925000000, 0.750000000000000 ] mass: 28.085500 reduced_to: 37 - symbol: O # 41 coordinates: [ 0.017314920000000, 0.121499060000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 42 coordinates: [ 0.517314920000000, 0.121499060000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 43 coordinates: [ 0.017314920000000, 0.621499060000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 44 coordinates: [ 0.517314920000000, 0.621499060000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 45 coordinates: [ 0.021098375000000, 0.204513515000000, 0.116304760000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 46 coordinates: [ 0.521098375000000, 0.204513515000000, 0.116304760000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 47 coordinates: [ 0.021098375000000, 0.704513515000000, 0.116304760000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 48 coordinates: [ 0.521098375000000, 0.704513515000000, 0.116304760000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 49 coordinates: [ 0.021098375000000, 0.204513515000000, 0.383695240000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 50 coordinates: [ 0.521098375000000, 0.204513515000000, 0.383695240000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 51 coordinates: [ 0.021098375000000, 0.704513515000000, 0.383695240000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 52 coordinates: [ 0.521098375000000, 0.704513515000000, 0.383695240000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 53 coordinates: [ 0.295486485000000, 0.316584860000000, 0.383695240000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 54 coordinates: [ 0.795486485000000, 0.316584860000000, 0.383695240000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 55 coordinates: [ 0.295486485000000, 0.816584860000000, 0.383695240000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 56 coordinates: [ 0.795486485000000, 0.816584860000000, 0.383695240000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 57 coordinates: [ 0.295486485000000, 0.316584860000000, 0.116304760000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 58 coordinates: [ 0.795486485000000, 0.316584860000000, 0.116304760000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 59 coordinates: [ 0.295486485000000, 0.816584860000000, 0.116304760000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 60 coordinates: [ 0.795486485000000, 0.816584860000000, 0.116304760000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 61 coordinates: [ 0.378500940000000, 0.395815865000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 62 coordinates: [ 0.878500940000000, 0.395815865000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 63 coordinates: [ 0.378500940000000, 0.895815865000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 64 coordinates: [ 0.878500940000000, 0.895815865000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 65 coordinates: [ 0.395815865000000, 0.017314920000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 66 coordinates: [ 0.895815865000000, 0.017314920000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 67 coordinates: [ 0.395815865000000, 0.517314920000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 68 coordinates: [ 0.895815865000000, 0.517314920000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 69 coordinates: [ 0.183415140000000, 0.478901625000000, 0.116304760000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 70 coordinates: [ 0.683415140000000, 0.478901625000000, 0.116304760000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 71 coordinates: [ 0.183415140000000, 0.978901625000000, 0.116304760000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 72 coordinates: [ 0.683415140000000, 0.978901625000000, 0.116304760000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 73 coordinates: [ 0.183415140000000, 0.478901625000000, 0.383695240000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 74 coordinates: [ 0.683415140000000, 0.478901625000000, 0.383695240000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 75 coordinates: [ 0.183415140000000, 0.978901625000000, 0.383695240000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 76 coordinates: [ 0.683415140000000, 0.978901625000000, 0.383695240000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 77 coordinates: [ 0.316584860000000, 0.021098375000000, 0.616304760000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 78 coordinates: [ 0.816584860000000, 0.021098375000000, 0.616304760000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 79 coordinates: [ 0.316584860000000, 0.521098375000000, 0.616304760000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 80 coordinates: [ 0.816584860000000, 0.521098375000000, 0.616304760000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 81 coordinates: [ 0.316584860000000, 0.021098375000000, 0.883695240000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 82 coordinates: [ 0.816584860000000, 0.021098375000000, 0.883695240000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 83 coordinates: [ 0.316584860000000, 0.521098375000000, 0.883695240000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 84 coordinates: [ 0.816584860000000, 0.521098375000000, 0.883695240000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 85 coordinates: [ 0.104184135000000, 0.482685080000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 86 coordinates: [ 0.604184135000000, 0.482685080000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 87 coordinates: [ 0.104184135000000, 0.982685080000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 88 coordinates: [ 0.604184135000000, 0.982685080000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 89 coordinates: [ 0.121499060000000, 0.104184135000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 90 coordinates: [ 0.621499060000000, 0.104184135000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 91 coordinates: [ 0.121499060000000, 0.604184135000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 92 coordinates: [ 0.621499060000000, 0.604184135000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 93 coordinates: [ 0.204513515000000, 0.183415140000000, 0.616304760000000 ] mass: 15.999400 reduced_to: 93 - symbol: O # 94 coordinates: [ 0.704513515000000, 0.183415140000000, 0.616304760000000 ] mass: 15.999400 reduced_to: 93 - symbol: O # 95 coordinates: [ 0.204513515000000, 0.683415140000000, 0.616304760000000 ] mass: 15.999400 reduced_to: 93 - symbol: O # 96 coordinates: [ 0.704513515000000, 0.683415140000000, 0.616304760000000 ] mass: 15.999400 reduced_to: 93 - symbol: O # 97 coordinates: [ 0.204513515000000, 0.183415140000000, 0.883695240000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 98 coordinates: [ 0.704513515000000, 0.183415140000000, 0.883695240000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 99 coordinates: [ 0.204513515000000, 0.683415140000000, 0.883695240000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 100 coordinates: [ 0.704513515000000, 0.683415140000000, 0.883695240000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 101 coordinates: [ 0.478901625000000, 0.295486485000000, 0.616304760000000 ] mass: 15.999400 reduced_to: 101 - symbol: O # 102 coordinates: [ 0.978901625000000, 0.295486485000000, 0.616304760000000 ] mass: 15.999400 reduced_to: 101 - symbol: O # 103 coordinates: [ 0.478901625000000, 0.795486485000000, 0.616304760000000 ] mass: 15.999400 reduced_to: 101 - symbol: O # 104 coordinates: [ 0.978901625000000, 0.795486485000000, 0.616304760000000 ] mass: 15.999400 reduced_to: 101 - symbol: O # 105 coordinates: [ 0.478901625000000, 0.295486485000000, 0.883695240000000 ] mass: 15.999400 reduced_to: 105 - symbol: O # 106 coordinates: [ 0.978901625000000, 0.295486485000000, 0.883695240000000 ] mass: 15.999400 reduced_to: 105 - symbol: O # 107 coordinates: [ 0.478901625000000, 0.795486485000000, 0.883695240000000 ] mass: 15.999400 reduced_to: 105 - symbol: O # 108 coordinates: [ 0.978901625000000, 0.795486485000000, 0.883695240000000 ] mass: 15.999400 reduced_to: 105 - symbol: O # 109 coordinates: [ 0.482685080000000, 0.378500940000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 109 - symbol: O # 110 coordinates: [ 0.982685080000000, 0.378500940000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 109 - symbol: O # 111 coordinates: [ 0.482685080000000, 0.878500940000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 109 - symbol: O # 112 coordinates: [ 0.982685080000000, 0.878500940000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 109born_effective_charge:- # 1 (La) - [ 4.244945770000000, -0.057670140000000, 0.000000000000000 ] - [ 0.057670140000000, 4.244945770000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 3.675300150000000 ]- # 2 (La) - [ 4.244945769992677, -0.057670139895770, 0.000000000000000 ] - [ 0.057670140104230, 4.244945770007324, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 3.675300150000001 ]- # 3 (La) - [ 4.244945769992677, -0.057670139895770, 0.000000000000000 ] - [ 0.057670140104230, 4.244945770007324, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 3.675300150000001 ]- # 4 (La) - [ 4.244945770000000, -0.057670140000000, 0.000000000000000 ] - [ 0.057670140000000, 4.244945770000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 3.675300150000001 ]- # 5 (Si) - [ 2.970260020000000, -0.326522890000000, 0.000000000000000 ] - [ -0.386237210000000, 3.447510410000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 3.433369280000000 ]- # 6 (Si) - [ 3.019563635801823, 0.414702665079464, 0.000000000000000 ] - [ 0.354988346518642, 3.398206794198177, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 3.433369280000001 ]- # 7 (Si) - [ 3.636831989157131, 0.001391703502922, 0.000000000000000 ] - [ -0.058322615269481, 2.780938440842868, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 3.433369280000001 ]- # 8 (Si) - [ 3.636831989157131, 0.001391703502922, 0.000000000000000 ] - [ -0.058322615269481, 2.780938440842868, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 3.433369280000001 ]- # 9 (Si) - [ 3.019563635801823, 0.414702665079464, 0.000000000000000 ] - [ 0.354988346518642, 3.398206794198177, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 3.433369280000001 ]- # 10 (Si) - [ 2.970260020000000, -0.326522890000000, 0.000000000000000 ] - [ -0.386237210000000, 3.447510410000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 3.433369280000001 ]- # 11 (O) - [ -2.663053020000000, -0.577456050000000, 0.000000000000000 ] - [ -0.589519710000000, -1.649557960000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -1.195194460000000 ]- # 12 (O) - [ -2.051349240000000, -0.301295160000000, -0.167811950000000 ] - [ -0.303852920000000, -1.831194330000000, 0.750834620000000 ] - [ -0.281349080000000, 0.700238540000000, -2.344187460000000 ]- # 13 (O) - [ -2.051349240000000, -0.301295160000000, 0.167811950000000 ] - [ -0.303852920000000, -1.831194330000000, -0.750834620000000 ] - [ 0.281349080000000, -0.700238540000000, -2.344187460000000 ]- # 14 (O) - [ -2.148269862665527, 0.247895771939620, 0.566335879415991 ] - [ 0.245338012883634, -1.734273707334473, 0.520746722193229 ] - [ 0.465749824807511, 0.593774720104375, -2.344187460000000 ]- # 15 (O) - [ -2.148269862665527, 0.247895771939620, -0.566335879415991 ] - [ 0.245338012883634, -1.734273707334473, -0.520746722193229 ] - [ -0.465749824807511, -0.593774720104375, -2.344187460000000 ]- # 16 (O) - [ -2.408247051879560, 0.736632002921678, 0.000000000000000 ] - [ 0.724568345626553, -1.904363928120440, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -1.195194460000000 ]- # 17 (O) - [ -1.397616398128732, -0.141080465281343, 0.000000000000000 ] - [ -0.153144123300919, -2.914994581871269, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -1.195194460000000 ]- # 18 (O) - [ -1.624196252336232, 0.057236027051889, 0.734147829415990 ] - [ 0.054678268117642, -2.258347317663768, -0.230087897806771 ] - [ 0.747098904807511, -0.106463819895625, -2.344187460000000 ]- # 19 (O) - [ -1.624196252336232, 0.057236027051889, -0.734147829415990 ] - [ 0.054678268117642, -2.258347317663768, 0.230087897806771 ] - [ -0.747098904807511, 0.106463819895625, -2.344187460000000 ]- # 20 (O) - [ -1.624196252336232, 0.057236027051889, -0.734147829415990 ] - [ 0.054678268117642, -2.258347317663768, 0.230087897806771 ] - [ -0.747098904807511, 0.106463819895625, -2.344187460000000 ]- # 21 (O) - [ -1.624196252336232, 0.057236027051889, 0.734147829415990 ] - [ 0.054678268117642, -2.258347317663768, -0.230087897806771 ] - [ 0.747098904807511, -0.106463819895625, -2.344187460000000 ]- # 22 (O) - [ -1.397616398128732, -0.141080465281343, 0.000000000000000 ] - [ -0.153144123300919, -2.914994581871269, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -1.195194460000000 ]- # 23 (O) - [ -2.408247051879560, 0.736632002921678, 0.000000000000000 ] - [ 0.724568345626553, -1.904363928120440, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -1.195194460000000 ]- # 24 (O) - [ -2.148269862665527, 0.247895771939620, 0.566335879415991 ] - [ 0.245338012883634, -1.734273707334473, 0.520746722193229 ] - [ 0.465749824807511, 0.593774720104375, -2.344187460000000 ]- # 25 (O) - [ -2.148269862665527, 0.247895771939620, -0.566335879415991 ] - [ 0.245338012883634, -1.734273707334473, -0.520746722193229 ] - [ -0.465749824807511, -0.593774720104375, -2.344187460000000 ]- # 26 (O) - [ -2.051349240000000, -0.301295160000000, 0.167811950000000 ] - [ -0.303852920000000, -1.831194330000000, -0.750834620000000 ] - [ 0.281349080000000, -0.700238540000000, -2.344187460000000 ]- # 27 (O) - [ -2.051349240000000, -0.301295160000000, -0.167811950000000 ] - [ -0.303852920000000, -1.831194330000000, 0.750834620000000 ] - [ -0.281349080000000, 0.700238540000000, -2.344187460000000 ]- # 28 (O) - [ -2.663053020000000, -0.577456050000000, 0.000000000000000 ] - [ -0.589519710000000, -1.649557960000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -1.195194460000000 ]dielectric_constant: - [ 3.200018060000000, -0.000000520000000, 0.000000000000000 ] - [ 0.000000510000000, 3.200018070000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 3.168000750000000 ]displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000296212, 0.0000000000000000 ] forces: - [ -0.1180507100000000, 0.0006524000000000, -0.0002082300000000 ] - [ 0.0105162700000000, -0.0000843800000000, 0.0002195600000000 ] - [ 0.0008213100000000, -0.0055214700000000, 0.0000860600000000 ] - [ 0.0009619600000000, 0.0055900400000000, 0.0002367700000000 ] - [ -0.0139000400000000, 0.0000105800000000, -0.0001680000000000 ] - [ 0.0065420000000000, -0.0000596000000000, 0.0001143300000000 ] - [ 0.0005076700000000, -0.0034278300000000, -0.0003220100000000 ] - [ 0.0006065900000000, 0.0034818100000000, -0.0003342900000000 ] - [ 0.0023903800000000, -0.0039343100000000, 0.0001765200000000 ] - [ 0.0028506700000000, 0.0036610900000000, 0.0008031600000000 ] - [ -0.0039589400000000, 0.0002480800000000, -0.0004442900000000 ] - [ 0.0019381000000000, 0.0000033600000000, 0.0001797100000000 ] - [ 0.0233030900000000, -0.0189796700000000, 0.0018659600000000 ] - [ 0.0226540000000000, 0.0190483200000000, -0.0067996800000000 ] - [ -0.0099673600000000, -0.0003580800000000, 0.0044490500000000 ] - [ 0.0020086000000000, 0.0000095200000000, -0.0001790700000000 ] - [ -0.0117965200000000, 0.0096012900000000, -0.0146726500000000 ] - [ 0.0036855900000000, -0.0017098400000000, 0.0013354500000000 ] - [ 0.0025115900000000, -0.0029546800000000, -0.0000612100000000 ] - [ 0.0016470400000000, 0.0066201400000000, 0.0003413800000000 ] - [ 0.0089728100000000, 0.0135692200000000, 0.0284175700000000 ] - [ 0.0056125000000000, -0.0013930500000000, -0.0024359100000000 ] - [ 0.0008377700000000, -0.0017087300000000, 0.0001892300000000 ] - [ -0.0020799000000000, 0.0038445100000000, -0.0002203000000000 ] - [ 0.0038232300000000, -0.0005505800000000, -0.0021346800000000 ] - [ -0.0044685500000000, 0.0032333400000000, 0.0035643500000000 ] - [ -0.0007657700000000, 0.0118122500000000, -0.0111258200000000 ] - [ 0.0054932600000000, -0.0045483200000000, 0.0002181100000000 ] - [ 0.0026361600000000, -0.0066529000000000, -0.0137122400000000 ] - [ 0.0066704400000000, 0.0041307000000000, 0.0002861700000000 ] - [ -0.0027357500000000, -0.0011062600000000, 0.0021041900000000 ] - [ 0.0028373200000000, 0.0004783700000000, -0.0015200900000000 ] - [ -0.0120034900000000, -0.0118606000000000, -0.0155177500000000 ] - [ 0.0044603600000000, 0.0029023600000000, 0.0021219600000000 ] - [ 0.0003552000000000, -0.0102016700000000, 0.0006980700000000 ] - [ 0.0032443800000000, 0.0037939000000000, -0.0001284200000000 ] - [ 0.0096363200000000, 0.0000607400000000, -0.0042808900000000 ] - [ 0.0141152400000000, -0.0104121400000000, 0.0265507000000000 ] - [ 0.0011970300000000, 0.0010895900000000, 0.0000077500000000 ] - [ -0.0028084400000000, -0.0029663800000000, -0.0000913400000000 ] - [ 0.0090175900000000, -0.0008195900000000, -0.0002319900000000 ] - [ -0.0041540800000000, -0.0008112700000000, 0.0000172900000000 ] - [ -0.0022876700000000, 0.0020963100000000, -0.0001076100000000 ] - [ -0.0028480100000000, -0.0036463700000000, 0.0008642400000000 ] - [ 0.0161105000000000, 0.0057750300000000, -0.0034860500000000 ] - [ -0.0051478100000000, -0.0003229800000000, -0.0010802200000000 ] - [ -0.0005835100000000, 0.0016705800000000, -0.0007913500000000 ] - [ -0.0000625600000000, -0.0029001300000000, 0.0013156600000000 ] - [ 0.0026445600000000, 0.0002337000000000, 0.0054271100000000 ] - [ -0.0023225700000000, 0.0001342200000000, -0.0005166100000000 ] - [ -0.0007150100000000, 0.0013391300000000, 0.0007605400000000 ] - [ -0.0000378600000000, -0.0024803200000000, -0.0016266500000000 ] - [ 0.0027401100000000, 0.0006639200000000, -0.0104962100000000 ] - [ -0.0029795400000000, -0.0001613000000000, 0.0015731500000000 ] - [ -0.0000569000000000, 0.0006333000000000, -0.0001117100000000 ] - [ 0.0000998500000000, -0.0014013700000000, 0.0003880200000000 ] - [ 0.0208582300000000, -0.0025986400000000, 0.0086662800000000 ] - [ -0.0054460200000000, 0.0015062000000000, 0.0008036500000000 ] - [ -0.0002498100000000, 0.0007607800000000, -0.0000631300000000 ] - [ 0.0003452800000000, -0.0014178100000000, -0.0000072200000000 ] - [ -0.0047901900000000, -0.0040897400000000, 0.0063789700000000 ] - [ -0.0070560800000000, 0.0043718900000000, -0.0030218100000000 ] - [ -0.0009851800000000, 0.0006890400000000, 0.0003333900000000 ] - [ 0.0028863200000000, -0.0016159400000000, -0.0003585400000000 ] - [ -0.0010684800000000, 0.0005263600000000, -0.0003552300000000 ] - [ 0.0008505600000000, -0.0060953500000000, 0.0025102500000000 ] - [ 0.0002991100000000, -0.0100660400000000, -0.0036857000000000 ] - [ -0.0017493400000000, 0.0014994600000000, 0.0002902500000000 ] - [ 0.0109960500000000, -0.0016325300000000, -0.0040596000000000 ] - [ -0.0026816800000000, -0.0005593800000000, 0.0011820900000000 ] - [ 0.0011697900000000, 0.0040883600000000, -0.0017375700000000 ] - [ -0.0016501800000000, -0.0039041100000000, 0.0015285000000000 ] - [ 0.0031713200000000, 0.0004876600000000, 0.0047006000000000 ] - [ -0.0025670200000000, -0.0006160300000000, -0.0015341800000000 ] - [ 0.0006078800000000, 0.0013441400000000, -0.0003383500000000 ] - [ -0.0006501100000000, -0.0014619300000000, 0.0002385100000000 ] - [ -0.0009177700000000, 0.0014599400000000, 0.0004374100000000 ] - [ 0.0004948800000000, -0.0017741400000000, -0.0003178600000000 ] - [ 0.0037890800000000, -0.0012412200000000, 0.0046282900000000 ] - [ -0.0025805900000000, 0.0009342800000000, -0.0013597900000000 ] - [ -0.0026004000000000, 0.0043450100000000, 0.0026963400000000 ] - [ 0.0008092800000000, -0.0057073100000000, -0.0028344400000000 ] - [ 0.0088810900000000, -0.0008207800000000, -0.0026426300000000 ] - [ -0.0025999300000000, 0.0007838500000000, 0.0010459300000000 ] - [ -0.0005447100000000, 0.0115244000000000, -0.0061070000000000 ] - [ -0.0027373900000000, -0.0022234900000000, 0.0004699800000000 ] - [ 0.0021603200000000, 0.0060107500000000, 0.0021577100000000 ] - [ -0.0010935600000000, -0.0007862700000000, -0.0003483900000000 ] - [ 0.0071981500000000, -0.0002698500000000, 0.0002835200000000 ] - [ -0.0032082200000000, 0.0009103600000000, 0.0001845700000000 ] - [ -0.0029435600000000, 0.0034360700000000, 0.0015012600000000 ] - [ -0.0018836700000000, -0.0014696000000000, -0.0001190900000000 ] - [ 0.0023990200000000, 0.0006898700000000, 0.0056140000000000 ] - [ -0.0022828300000000, -0.0002859300000000, -0.0003184500000000 ] - [ 0.0009113500000000, 0.0028544100000000, -0.0017559100000000 ] - [ -0.0010441800000000, -0.0012478500000000, 0.0011947900000000 ] - [ 0.0140643400000000, -0.0041706000000000, 0.0012500400000000 ] - [ -0.0058047400000000, -0.0004372500000000, -0.0023716200000000 ] - [ 0.0008764800000000, 0.0032795200000000, 0.0008510300000000 ] - [ -0.0009219300000000, -0.0014853300000000, -0.0011317800000000 ] - [ -0.0031479600000000, 0.0008689000000000, 0.0024708300000000 ] - [ 0.0015750000000000, -0.0015119400000000, -0.0098440000000000 ] - [ 0.0000700400000000, -0.0006279500000000, 0.0002727400000000 ] - [ 0.0002342500000000, 0.0011377300000000, 0.0005559200000000 ] - [ -0.0067946500000000, -0.0011895900000000, 0.0016031500000000 ] - [ 0.0135455200000000, 0.0017874000000000, 0.0005852400000000 ] - [ 0.0000965600000000, -0.0008586200000000, -0.0007098400000000 ] - [ 0.0003624700000000, 0.0010666300000000, -0.0003007200000000 ] - [ -0.0074311200000000, -0.0037421500000000, -0.0040008600000000 ] - [ -0.0029014300000000, 0.0016516800000000, 0.0033848600000000 ] - [ -0.0006343900000000, -0.0002772600000000, 0.0001699800000000 ] - [ 0.0025962500000000, 0.0007558900000000, -0.0001731600000000 ]- atom: 1 displacement: [ -0.0100000000000000, -0.0000000000296212, 0.0000000000000000 ] forces: - [ 0.1181097900000000, 0.0006519900000000, -0.0001763100000000 ] - [ -0.0105151800000000, 0.0000914600000000, 0.0001525900000000 ] - [ -0.0008095000000000, 0.0055020500000000, 0.0002907600000000 ] - [ -0.0009754400000000, -0.0056096100000000, 0.0001324800000000 ] - [ 0.0139012400000000, 0.0000110000000000, -0.0001796500000000 ] - [ -0.0065382800000000, 0.0000607700000000, -0.0004888800000000 ] - [ -0.0004970800000000, 0.0034181400000000, -0.0000513300000000 ] - [ -0.0006107600000000, -0.0034911800000000, -0.0000341700000000 ] - [ -0.0024001400000000, 0.0039213100000000, 0.0001964700000000 ] - [ -0.0028435700000000, -0.0036756000000000, -0.0004449700000000 ] - [ 0.0039539100000000, -0.0002704400000000, 0.0008151100000000 ] - [ -0.0019403000000000, 0.0000065200000000, 0.0001907600000000 ] - [ -0.0231269700000000, 0.0187879900000000, -0.0022014500000000 ] - [ -0.0228256600000000, -0.0192646700000000, 0.0065214300000000 ] - [ 0.0099652800000000, 0.0001878200000000, -0.0048361400000000 ] - [ -0.0020081200000000, 0.0000082300000000, -0.0001886700000000 ] - [ 0.0117660900000000, -0.0091561300000000, 0.0146471100000000 ] - [ -0.0037113700000000, 0.0021211300000000, -0.0013244100000000 ] - [ -0.0024984200000000, 0.0033833700000000, 0.0000632500000000 ] - [ -0.0016796100000000, -0.0061639300000000, -0.0003501400000000 ] - [ -0.0092686400000000, -0.0137419700000000, -0.0282157600000000 ] - [ -0.0059526200000000, 0.0011750600000000, 0.0024601100000000 ] - [ -0.0011919600000000, 0.0014489200000000, -0.0001980200000000 ] - [ 0.0017275600000000, -0.0040736100000000, 0.0002200100000000 ] - [ -0.0042057300000000, 0.0007191500000000, 0.0021246900000000 ] - [ 0.0041180900000000, -0.0030466700000000, -0.0035772000000000 ] - [ 0.0002357900000000, -0.0115564900000000, 0.0112129700000000 ] - [ -0.0058887100000000, 0.0047649900000000, -0.0002226300000000 ] - [ -0.0021089900000000, 0.0065138400000000, 0.0135989500000000 ] - [ -0.0062752100000000, -0.0042975700000000, -0.0002784200000000 ] - [ 0.0031140400000000, 0.0009180900000000, -0.0021008500000000 ] - [ -0.0024571200000000, -0.0006777300000000, 0.0015264900000000 ] - [ 0.0123111900000000, 0.0120945800000000, 0.0155041100000000 ] - [ -0.0041132800000000, -0.0026876900000000, -0.0021369800000000 ] - [ 0.0000164100000000, 0.0104800000000000, -0.0006816500000000 ] - [ -0.0029204600000000, -0.0035395000000000, 0.0001275000000000 ] - [ -0.0095904500000000, -0.0004712300000000, 0.0042400200000000 ] - [ -0.0142120900000000, 0.0100691200000000, -0.0268111100000000 ] - [ -0.0011646100000000, -0.0015451400000000, 0.0000072500000000 ] - [ 0.0028326300000000, 0.0025406400000000, 0.0000920300000000 ] - [ -0.0102608800000000, 0.0002184600000000, 0.0002268100000000 ] - [ 0.0029394200000000, 0.0002394700000000, -0.0000124900000000 ] - [ 0.0010591100000000, -0.0026899100000000, 0.0001076100000000 ] - [ 0.0016756000000000, 0.0030686600000000, -0.0008793900000000 ] - [ -0.0163464900000000, -0.0060769100000000, 0.0040053600000000 ] - [ 0.0050333000000000, 0.0003496600000000, 0.0013301100000000 ] - [ 0.0004678500000000, -0.0016498200000000, 0.0010475500000000 ] - [ -0.0000187000000000, 0.0029210900000000, -0.0010418900000000 ] - [ -0.0027594300000000, -0.0002168300000000, -0.0056711800000000 ] - [ 0.0022181500000000, -0.0001105000000000, 0.0002530400000000 ] - [ 0.0005995700000000, -0.0013173200000000, -0.0010170700000000 ] - [ -0.0000625700000000, 0.0024964700000000, 0.0013647900000000 ] - [ -0.0026994800000000, -0.0007646400000000, 0.0102066700000000 ] - [ 0.0030099800000000, 0.0000570300000000, -0.0018370600000000 ] - [ 0.0000878200000000, -0.0007283200000000, -0.0001466000000000 ] - [ -0.0000643500000000, 0.0012937200000000, -0.0006475200000000 ] - [ -0.0197076000000000, 0.0023309700000000, -0.0074149400000000 ] - [ 0.0054915900000000, -0.0016174000000000, -0.0005621200000000 ] - [ 0.0002697100000000, -0.0008408500000000, 0.0003328000000000 ] - [ -0.0003082700000000, 0.0013123000000000, 0.0002684000000000 ] - [ 0.0059317000000000, 0.0032638000000000, -0.0063345900000000 ] - [ 0.0081917300000000, -0.0051581200000000, 0.0030409000000000 ] - [ 0.0020919400000000, -0.0014461100000000, -0.0003338500000000 ] - [ -0.0017776600000000, 0.0008426100000000, 0.0003607200000000 ] - [ 0.0009579500000000, -0.0018607600000000, 0.0003546700000000 ] - [ -0.0009695200000000, 0.0047205400000000, -0.0024979700000000 ] - [ -0.0004005400000000, 0.0086636900000000, 0.0036663100000000 ] - [ 0.0016285000000000, -0.0028653900000000, -0.0002936200000000 ] - [ -0.0109864400000000, 0.0019258500000000, 0.0045250200000000 ] - [ 0.0027504500000000, 0.0006292800000000, -0.0009242500000000 ] - [ -0.0010917700000000, -0.0039894400000000, 0.0019918600000000 ] - [ 0.0017253100000000, 0.0040064400000000, -0.0012722400000000 ] - [ -0.0031029200000000, -0.0004140900000000, -0.0049081700000000 ] - [ 0.0026365700000000, 0.0006907200000000, 0.0012716500000000 ] - [ -0.0005358600000000, -0.0012598700000000, 0.0000757200000000 ] - [ 0.0007197200000000, 0.0015493100000000, -0.0005023600000000 ] - [ 0.0008478800000000, -0.0015357600000000, -0.0001741000000000 ] - [ -0.0005728000000000, 0.0016962200000000, 0.0005804500000000 ] - [ -0.0038501700000000, 0.0011519000000000, -0.0044073900000000 ] - [ 0.0025136800000000, -0.0010256700000000, 0.0016270600000000 ] - [ 0.0025237600000000, -0.0044052400000000, -0.0029465100000000 ] - [ -0.0008929300000000, 0.0056510500000000, 0.0025876500000000 ] - [ -0.0088800400000000, 0.0008929800000000, 0.0022771500000000 ] - [ 0.0025320200000000, -0.0008780600000000, -0.0013075200000000 ] - [ 0.0006197000000000, -0.0102570400000000, 0.0061481700000000 ] - [ 0.0028517900000000, 0.0035543200000000, -0.0004645400000000 ] - [ -0.0020486200000000, -0.0046767700000000, -0.0021611800000000 ] - [ 0.0012062100000000, 0.0021552500000000, 0.0003485000000000 ] - [ -0.0082919400000000, 0.0010436300000000, -0.0002853700000000 ] - [ 0.0020927100000000, -0.0001339800000000, -0.0001874900000000 ] - [ 0.0017733800000000, -0.0026440100000000, -0.0014766300000000 ] - [ 0.0007763200000000, 0.0022260100000000, 0.0001188700000000 ] - [ -0.0024209400000000, -0.0005858300000000, -0.0053549200000000 ] - [ 0.0022476700000000, 0.0003929700000000, 0.0005856700000000 ] - [ -0.0009557600000000, -0.0027583800000000, 0.0020218300000000 ] - [ 0.0010173600000000, 0.0013470800000000, -0.0009346200000000 ] - [ -0.0137719400000000, 0.0038238700000000, -0.0017233300000000 ] - [ 0.0057853700000000, 0.0005502900000000, 0.0021233700000000 ] - [ -0.0009451100000000, -0.0031761100000000, -0.0011327600000000 ] - [ 0.0008944000000000, 0.0015841500000000, 0.0008738200000000 ] - [ 0.0032544600000000, -0.0008865000000000, -0.0021988300000000 ] - [ -0.0014734300000000, 0.0014973000000000, 0.0101680700000000 ] - [ 0.0000386800000000, 0.0006168600000000, -0.0000128900000000 ] - [ -0.0001293200000000, -0.0011617200000000, -0.0002947400000000 ] - [ 0.0068739000000000, 0.0011677500000000, -0.0018431000000000 ] - [ -0.0147008500000000, -0.0020791900000000, -0.0013756100000000 ] - [ 0.0000242900000000, 0.0008679800000000, 0.0004317700000000 ] - [ -0.0002582300000000, -0.0010912000000000, 0.0000400700000000 ] - [ 0.0086422700000000, 0.0043133600000000, 0.0039853300000000 ] - [ 0.0040779000000000, -0.0011108900000000, -0.0033985500000000 ] - [ 0.0018579600000000, 0.0008681700000000, -0.0001682700000000 ] - [ -0.0013748400000000, -0.0001755200000000, 0.0001725000000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.1116996000000000 ] - [ 0.0000384400000000, 0.0000886700000000, -0.0021261600000000 ] - [ -0.0000960100000000, -0.0000110500000000, -0.0021261600000000 ] - [ 0.0000575800000000, -0.0000776200000000, -0.0021261600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0174915600000000 ] - [ -0.0002953500000000, 0.0000086000000000, 0.0020216800000000 ] - [ 0.0001402200000000, -0.0002600800000000, 0.0020216800000000 ] - [ 0.0001551300000000, 0.0002514800000000, 0.0020216800000000 ] - [ 0.0000157400000000, -0.0007308500000000, 0.0054380100000000 ] - [ -0.0006408100000000, 0.0003517900000000, 0.0054380100000000 ] - [ 0.0006250600000000, 0.0003790600000000, 0.0054380100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0023896900000000 ] - [ 0.0019923800000000, -0.0065087600000000, -0.0127211700000000 ] - [ -0.0066329400000000, 0.0015289300000000, -0.0127211700000000 ] - [ 0.0046405600000000, 0.0049798300000000, -0.0127211700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0023693600000000 ] - [ -0.0015090500000000, -0.0144487300000000, 0.0199290900000000 ] - [ 0.0000440500000000, 0.0001125400000000, 0.0002573700000000 ] - [ -0.0034475300000000, 0.0024954600000000, 0.0000907500000000 ] - [ 0.0022775700000000, 0.0061778000000000, 0.0001067700000000 ] - [ 0.0132674900000000, 0.0059174900000000, 0.0199290900000000 ] - [ -0.0064889100000000, -0.0011164700000000, 0.0001067700000000 ] - [ -0.0001194900000000, -0.0000181200000000, 0.0002573700000000 ] - [ -0.0004373700000000, -0.0042333800000000, 0.0000907500000000 ] - [ -0.0004100700000000, 0.0003537900000000, -0.0000301200000000 ] - [ 0.0069785200000000, 0.0065902500000000, -0.0004865000000000 ] - [ -0.0079445000000000, -0.0111543800000000, 0.0112181800000000 ] - [ 0.0027261300000000, -0.0014844500000000, -0.0001418500000000 ] - [ -0.0117584400000000, 0.0085312400000000, 0.0199290900000000 ] - [ 0.0038849000000000, 0.0017379200000000, 0.0000907500000000 ] - [ 0.0042113400000000, -0.0050613300000000, 0.0001067700000000 ] - [ 0.0000754300000000, -0.0000944200000000, 0.0002573700000000 ] - [ -0.0056877200000000, 0.0124573300000000, 0.0112181800000000 ] - [ 0.0005114300000000, 0.0001782400000000, -0.0000301200000000 ] - [ 0.0022180600000000, -0.0093387100000000, -0.0004865000000000 ] - [ -0.0026486300000000, -0.0016186700000000, -0.0001418500000000 ] - [ -0.0091965900000000, 0.0027484500000000, -0.0004865000000000 ] - [ 0.0136322300000000, -0.0013029500000000, 0.0112181800000000 ] - [ -0.0001013600000000, -0.0005320300000000, -0.0000301200000000 ] - [ -0.0000774900000000, 0.0031031200000000, -0.0001418500000000 ] - [ -0.0041693700000000, -0.0082999600000000, -0.0034999700000000 ] - [ -0.0004925400000000, -0.0002778900000000, 0.0000343000000000 ] - [ -0.0022775100000000, 0.0012984600000000, 0.0001616000000000 ] - [ 0.0028773700000000, 0.0026749700000000, -0.0009831900000000 ] - [ -0.0075329400000000, -0.0137999400000000, 0.0238429400000000 ] - [ -0.0003102500000000, 0.0001120500000000, 0.0005278700000000 ] - [ 0.0005740600000000, -0.0007231700000000, 0.0012133700000000 ] - [ -0.0004504000000000, -0.0015649100000000, 0.0016317200000000 ] - [ 0.0010709700000000, -0.0006354200000000, -0.0087788900000000 ] - [ -0.0000890200000000, 0.0000795500000000, -0.0008259100000000 ] - [ 0.0006535500000000, -0.0007961200000000, -0.0014052200000000 ] - [ -0.0001199000000000, -0.0018010200000000, -0.0018738200000000 ] - [ 0.0000148100000000, 0.0012452000000000, -0.0087788900000000 ] - [ 0.0016196800000000, 0.0007966800000000, -0.0018738200000000 ] - [ -0.0000243800000000, -0.0001168600000000, -0.0008259100000000 ] - [ 0.0003626800000000, 0.0009640500000000, -0.0014052200000000 ] - [ 0.0157175700000000, 0.0003762500000000, 0.0238429400000000 ] - [ 0.0015804500000000, 0.0003924000000000, 0.0016317200000000 ] - [ 0.0000580900000000, -0.0003247100000000, 0.0005278700000000 ] - [ 0.0003392500000000, 0.0008587300000000, 0.0012133700000000 ] - [ 0.0092726600000000, 0.0005392000000000, -0.0034999700000000 ] - [ -0.0037552800000000, 0.0011543900000000, -0.0009831900000000 ] - [ 0.0004869300000000, -0.0002876000000000, 0.0000343000000000 ] - [ 0.0000142500000000, -0.0026216100000000, 0.0001616000000000 ] - [ -0.0000993600000000, -0.0006865600000000, -0.0000785600000000 ] - [ 0.0012737100000000, 0.0045730100000000, -0.0023560200000000 ] - [ -0.0028228400000000, -0.0068613800000000, -0.0030796200000000 ] - [ 0.0015406900000000, -0.0014508700000000, -0.0000250300000000 ] - [ -0.0081846300000000, 0.0134236900000000, 0.0238429400000000 ] - [ -0.0009133100000000, -0.0001355700000000, 0.0012133700000000 ] - [ -0.0011300500000000, 0.0011725100000000, 0.0016317200000000 ] - [ 0.0002521600000000, 0.0002126600000000, 0.0005278700000000 ] - [ -0.0010857800000000, -0.0006097800000000, -0.0087788900000000 ] - [ -0.0010162300000000, -0.0001679300000000, -0.0014052200000000 ] - [ -0.0014997800000000, 0.0010043500000000, -0.0018738200000000 ] - [ 0.0001134000000000, 0.0000373200000000, -0.0008259100000000 ] - [ 0.0001740400000000, -0.0001014900000000, -0.0005007700000000 ] - [ -0.0020095900000000, -0.0009410200000000, -0.0017173900000000 ] - [ -0.0009798500000000, 0.0022419700000000, -0.0062541900000000 ] - [ -0.0009094900000000, 0.0004039900000000, -0.0010373200000000 ] - [ 0.0003173200000000, 0.0002793700000000, 0.0012795200000000 ] - [ -0.0018765600000000, -0.0008695900000000, 0.0026573300000000 ] - [ -0.0016610300000000, 0.0043079700000000, 0.0078645300000000 ] - [ -0.0008334400000000, 0.0003203900000000, 0.0010425500000000 ] - [ -0.0051032900000000, 0.0077607600000000, -0.0034999700000000 ] - [ 0.0022632600000000, 0.0013231500000000, 0.0001616000000000 ] - [ 0.0008779100000000, -0.0038293600000000, -0.0009831900000000 ] - [ 0.0000056000000000, 0.0005654900000000, 0.0000343000000000 ] - [ -0.0045307100000000, 0.0058753400000000, -0.0030796200000000 ] - [ -0.0005449000000000, 0.0004293300000000, -0.0000785600000000 ] - [ 0.0033234900000000, -0.0033895700000000, -0.0023560200000000 ] - [ -0.0020268300000000, -0.0006088400000000, -0.0000250300000000 ] - [ 0.0024315300000000, -0.0002724100000000, -0.0062541900000000 ] - [ -0.0001749200000000, -0.0000999800000000, -0.0005007700000000 ] - [ 0.0001898500000000, 0.0022108700000000, -0.0017173900000000 ] - [ 0.0008046100000000, 0.0005856500000000, -0.0010373200000000 ] - [ 0.0045613300000000, -0.0007154900000000, 0.0078645300000000 ] - [ 0.0000832800000000, -0.0004144900000000, 0.0012795200000000 ] - [ 0.0001851900000000, 0.0020599400000000, 0.0026573300000000 ] - [ 0.0006941900000000, 0.0005615800000000, 0.0010425500000000 ] - [ 0.0018197400000000, -0.0012698500000000, -0.0017173900000000 ] - [ -0.0014516800000000, -0.0019695600000000, -0.0062541900000000 ] - [ 0.0000008800000000, 0.0002014700000000, -0.0005007700000000 ] - [ 0.0001048800000000, -0.0009896400000000, -0.0010373200000000 ] - [ 0.0016913700000000, -0.0011903600000000, 0.0026573300000000 ] - [ -0.0029002900000000, -0.0035924800000000, 0.0078645300000000 ] - [ -0.0004006000000000, 0.0001351200000000, 0.0012795200000000 ] - [ 0.0001392500000000, -0.0008819800000000, 0.0010425500000000 ] - [ -0.0045972000000000, -0.0011834400000000, -0.0023560200000000 ] - [ 0.0073535500000000, 0.0009860400000000, -0.0030796200000000 ] - [ 0.0006442600000000, 0.0002572300000000, -0.0000785600000000 ] - [ 0.0004861500000000, 0.0020597100000000, -0.0000250300000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.1107609000000000 ] - [ -0.0000388000000000, -0.0000913800000000, 0.0025314800000000 ] - [ 0.0000985400000000, 0.0000120900000000, 0.0025314800000000 ] - [ -0.0000597400000000, 0.0000792900000000, 0.0025314800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0179429400000000 ] - [ 0.0002987000000000, -0.0000083200000000, -0.0024263000000000 ] - [ -0.0001421500000000, 0.0002628500000000, -0.0024263000000000 ] - [ -0.0001565600000000, -0.0002545300000000, -0.0024263000000000 ] - [ 0.0000069800000000, 0.0007178000000000, -0.0050360500000000 ] - [ 0.0006181400000000, -0.0003649500000000, -0.0050360500000000 ] - [ -0.0006251200000000, -0.0003528600000000, -0.0050360500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0019820200000000 ] - [ -0.0020616700000000, 0.0065423200000000, 0.0122795700000000 ] - [ 0.0066966500000000, -0.0014857000000000, 0.0122795700000000 ] - [ -0.0046349800000000, -0.0050566200000000, 0.0122795700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0019614400000000 ] - [ 0.0014250300000000, 0.0147453800000000, -0.0199248500000000 ] - [ -0.0000705100000000, 0.0003104200000000, -0.0002659100000000 ] - [ 0.0034227800000000, -0.0020689000000000, -0.0000957700000000 ] - [ -0.0022922200000000, -0.0057304500000000, -0.0001231600000000 ] - [ -0.0134823900000000, -0.0061385800000000, -0.0199248500000000 ] - [ 0.0061088200000000, 0.0008801000000000, -0.0001231600000000 ] - [ -0.0002335700000000, -0.0002162700000000, -0.0002659100000000 ] - [ 0.0000803300000000, 0.0039986600000000, -0.0000957700000000 ] - [ 0.0000314300000000, -0.0001644800000000, 0.0000428100000000 ] - [ -0.0073886200000000, -0.0064172600000000, 0.0005075900000000 ] - [ 0.0075924400000000, 0.0114473600000000, -0.0111559500000000 ] - [ -0.0031076100000000, 0.0016676300000000, 0.0001464300000000 ] - [ 0.0120573600000000, -0.0086068000000000, -0.0199248500000000 ] - [ -0.0035031100000000, -0.0019297700000000, -0.0000957700000000 ] - [ -0.0038166000000000, 0.0048503500000000, -0.0001231600000000 ] - [ 0.0003040800000000, -0.0000941500000000, -0.0002659100000000 ] - [ 0.0061174800000000, -0.0122989300000000, -0.0111559500000000 ] - [ -0.0001581600000000, 0.0000550300000000, 0.0000428100000000 ] - [ -0.0018632000000000, 0.0096073600000000, 0.0005075900000000 ] - [ 0.0029980200000000, 0.0018574500000000, 0.0001464300000000 ] - [ 0.0092518200000000, -0.0031901000000000, 0.0005075900000000 ] - [ -0.0137099200000000, 0.0008515700000000, -0.0111559500000000 ] - [ 0.0001267300000000, 0.0001094600000000, 0.0000428100000000 ] - [ 0.0001095900000000, -0.0035250900000000, 0.0001464300000000 ] - [ 0.0029629000000000, 0.0077576600000000, 0.0034874500000000 ] - [ -0.0007246700000000, -0.0003174200000000, -0.0000384500000000 ] - [ 0.0010682800000000, -0.0018983400000000, -0.0001649000000000 ] - [ -0.0040831900000000, -0.0032743100000000, 0.0009688000000000 ] - [ 0.0068683600000000, 0.0130559200000000, -0.0230639500000000 ] - [ 0.0002042200000000, -0.0000823400000000, -0.0002790700000000 ] - [ -0.0006869000000000, 0.0007484200000000, -0.0009639300000000 ] - [ 0.0003455100000000, 0.0015892600000000, -0.0013741100000000 ] - [ -0.0011655900000000, 0.0006890300000000, 0.0085328600000000 ] - [ -0.0000264700000000, -0.0000515600000000, 0.0005845800000000 ] - [ -0.0007676200000000, 0.0008265000000000, 0.0011637900000000 ] - [ 0.0000031800000000, 0.0018235400000000, 0.0016325200000000 ] - [ -0.0000139300000000, -0.0013539500000000, 0.0085328600000000 ] - [ -0.0015808200000000, -0.0009090200000000, 0.0016325200000000 ] - [ 0.0000578900000000, 0.0000028500000000, 0.0005845800000000 ] - [ -0.0003319600000000, -0.0010780300000000, 0.0011637900000000 ] - [ -0.0147409300000000, -0.0005797900000000, -0.0230639500000000 ] - [ -0.0015490900000000, -0.0004954100000000, -0.0013741100000000 ] - [ -0.0000308000000000, 0.0002180300000000, -0.0002790700000000 ] - [ -0.0003047000000000, -0.0009690800000000, -0.0009639300000000 ] - [ -0.0081997800000000, -0.0013128800000000, 0.0034874500000000 ] - [ 0.0048772300000000, -0.0018989900000000, 0.0009688000000000 ] - [ 0.0006372300000000, -0.0004688700000000, -0.0000384500000000 ] - [ 0.0011098700000000, 0.0018743200000000, -0.0001649000000000 ] - [ 0.0000062200000000, -0.0006653200000000, 0.0000822200000000 ] - [ -0.0013609900000000, -0.0059374800000000, 0.0023764300000000 ] - [ 0.0027117000000000, 0.0054850500000000, 0.0030801100000000 ] - [ -0.0016295100000000, 0.0000943800000000, 0.0000266600000000 ] - [ 0.0078725800000000, -0.0124761300000000, -0.0230639500000000 ] - [ 0.0009916000000000, 0.0002206600000000, -0.0009639300000000 ] - [ 0.0012035900000000, -0.0010938500000000, -0.0013741100000000 ] - [ -0.0001734200000000, -0.0001356900000000, -0.0002790700000000 ] - [ 0.0011795200000000, 0.0006649100000000, 0.0085328600000000 ] - [ 0.0010995800000000, 0.0002515300000000, 0.0011637900000000 ] - [ 0.0015776400000000, -0.0009145200000000, 0.0016325200000000 ] - [ -0.0000314100000000, 0.0000487000000000, 0.0005845800000000 ] - [ -0.0002591600000000, 0.0000227600000000, 0.0007359600000000 ] - [ 0.0019349400000000, 0.0008643000000000, 0.0019597600000000 ] - [ 0.0008862300000000, -0.0023617400000000, 0.0064873200000000 ] - [ 0.0008282000000000, -0.0004862000000000, 0.0012797500000000 ] - [ -0.0003921300000000, -0.0003700700000000, -0.0015296400000000 ] - [ 0.0018018400000000, 0.0007766200000000, -0.0029155400000000 ] - [ 0.0016294100000000, -0.0042764000000000, -0.0081897100000000 ] - [ 0.0007547200000000, -0.0004016400000000, -0.0012912500000000 ] - [ 0.0052368800000000, -0.0064447800000000, 0.0034874500000000 ] - [ -0.0021781500000000, 0.0000240100000000, -0.0001649000000000 ] - [ -0.0007940400000000, 0.0051733000000000, 0.0009688000000000 ] - [ 0.0000874400000000, 0.0007862900000000, -0.0000384500000000 ] - [ 0.0033943400000000, -0.0050909200000000, 0.0030801100000000 ] - [ -0.0005792900000000, 0.0003272700000000, 0.0000822200000000 ] - [ -0.0044615200000000, 0.0041473900000000, 0.0023764300000000 ] - [ 0.0008964900000000, 0.0013640000000000, 0.0000266600000000 ] - [ -0.0024884400000000, 0.0004133700000000, 0.0064873200000000 ] - [ 0.0001492900000000, 0.0002130600000000, 0.0007359600000000 ] - [ -0.0002189700000000, -0.0021078600000000, 0.0019597600000000 ] - [ -0.0008351600000000, -0.0004741400000000, 0.0012797500000000 ] - [ -0.0045181700000000, 0.0007270900000000, -0.0081897100000000 ] - [ -0.0001244200000000, 0.0005246300000000, -0.0015296400000000 ] - [ -0.0002283400000000, -0.0019487500000000, -0.0029155400000000 ] - [ -0.0007251900000000, -0.0004527800000000, -0.0012912500000000 ] - [ -0.0017159800000000, 0.0012435600000000, 0.0019597600000000 ] - [ 0.0016022100000000, 0.0019483700000000, 0.0064873200000000 ] - [ 0.0001098700000000, -0.0002358200000000, 0.0007359600000000 ] - [ 0.0000069600000000, 0.0009603400000000, 0.0012797500000000 ] - [ -0.0015734900000000, 0.0011721200000000, -0.0029155400000000 ] - [ 0.0028887600000000, 0.0035493100000000, -0.0081897100000000 ] - [ 0.0005165500000000, -0.0001545600000000, -0.0015296400000000 ] - [ -0.0000295300000000, 0.0008544200000000, -0.0012912500000000 ] - [ 0.0058225000000000, 0.0017900900000000, 0.0023764300000000 ] - [ -0.0061060400000000, -0.0003941300000000, 0.0030801100000000 ] - [ 0.0005730700000000, 0.0003380500000000, 0.0000822200000000 ] - [ 0.0007330200000000, -0.0014583900000000, 0.0000266600000000 ]- atom: 17 displacement: [ 0.0100000000000000, 0.0000000000296212, 0.0000000000000000 ] forces: - [ -0.0118073800000000, -0.0016072600000000, -0.0012723200000000 ] - [ 0.0037003700000000, 0.0000317500000000, 0.0002425400000000 ] - [ 0.0025066400000000, -0.0065066400000000, -0.0032534900000000 ] - [ 0.0016721900000000, 0.0036583300000000, 0.0024696600000000 ] - [ -0.0118073800000000, -0.0016072600000000, 0.0012723200000000 ] - [ 0.0037003700000000, 0.0000317500000000, -0.0002425400000000 ] - [ 0.0025066400000000, -0.0065066400000000, 0.0032534900000000 ] - [ 0.0016721900000000, 0.0036583300000000, -0.0024696600000000 ] - [ 0.0096223700000000, 0.0048835200000000, 0.0094197600000000 ] - [ 0.0141371900000000, -0.0032037500000000, -0.0134055300000000 ] - [ 0.0011781200000000, -0.0010066000000000, 0.0003023300000000 ] - [ -0.0028234500000000, -0.0002576400000000, 0.0002826900000000 ] - [ 0.0096223700000000, 0.0048835200000000, -0.0094197600000000 ] - [ 0.0141371900000000, -0.0032037500000000, 0.0134055300000000 ] - [ 0.0011781200000000, -0.0010066000000000, -0.0003023300000000 ] - [ -0.0028234500000000, -0.0002576400000000, -0.0002826900000000 ] - [ -0.4373501800000000, 0.0438506100000000, 0.0000000000000000 ] - [ 0.0045977600000000, 0.0003404400000000, 0.0000000000000000 ] - [ 0.0012827200000000, -0.0034226100000000, 0.0000000000000000 ] - [ 0.0006744800000000, 0.0033075000000000, 0.0000000000000000 ] - [ 0.0035090000000000, 0.0085694700000000, 0.0000000000000000 ] - [ 0.0036669100000000, -0.0023845200000000, 0.0000000000000000 ] - [ 0.0040330000000000, -0.0013848600000000, 0.0000000000000000 ] - [ -0.0211340800000000, 0.0237023200000000, 0.0000000000000000 ] - [ 0.0036490100000000, 0.0002594400000000, 0.0000000000000000 ] - [ -0.0041730800000000, 0.0006834900000000, 0.0000000000000000 ] - [ -0.0013711300000000, 0.0013801300000000, 0.0000000000000000 ] - [ 0.0002103300000000, -0.0015899000000000, 0.0000000000000000 ] - [ -0.0017066900000000, -0.0055349600000000, 0.0000000000000000 ] - [ 0.0021589000000000, 0.0024710500000000, 0.0000000000000000 ] - [ 0.0336013200000000, -0.0552438500000000, 0.0000000000000000 ] - [ 0.0066268700000000, 0.0006726900000000, 0.0000000000000000 ] - [ -0.0039506900000000, -0.0005450300000000, 0.0000000000000000 ] - [ 0.0029668600000000, 0.0011174100000000, 0.0000000000000000 ] - [ 0.0002969300000000, -0.0021994200000000, 0.0000000000000000 ] - [ 0.0001189100000000, 0.0015393900000000, 0.0000000000000000 ] - [ -0.0006863200000000, 0.0018677600000000, 0.0000000000000000 ] - [ 0.0012214300000000, -0.0028040200000000, 0.0000000000000000 ] - [ 0.0024165900000000, -0.0002347200000000, 0.0000000000000000 ] - [ -0.0030208800000000, -0.0002935100000000, 0.0000000000000000 ] - [ 0.0027779900000000, 0.0000929600000000, 0.0000000000000000 ] - [ -0.0035107200000000, -0.0011497900000000, 0.0000000000000000 ] - [ -0.0005587300000000, 0.0007085400000000, 0.0000000000000000 ] - [ -0.0003683700000000, -0.0007953300000000, 0.0000000000000000 ] - [ 0.0550933100000000, -0.0246110700000000, 0.0460315200000000 ] - [ -0.0028258500000000, -0.0006796100000000, -0.0000150000000000 ] - [ 0.0003692200000000, 0.0022608500000000, -0.0002682200000000 ] - [ -0.0007606900000000, -0.0014558200000000, 0.0007426900000000 ] - [ 0.0550933100000000, -0.0246110700000000, -0.0460315200000000 ] - [ -0.0028258500000000, -0.0006796100000000, 0.0000150000000000 ] - [ 0.0003692200000000, 0.0022608500000000, 0.0002682200000000 ] - [ -0.0007606900000000, -0.0014558200000000, -0.0007426900000000 ] - [ 0.0006628400000000, -0.0067090500000000, -0.0047098600000000 ] - [ -0.0025123400000000, 0.0012298100000000, 0.0003077800000000 ] - [ -0.0022134500000000, 0.0011514800000000, 0.0001524700000000 ] - [ 0.0028413600000000, -0.0077391100000000, 0.0031871800000000 ] - [ 0.0006628400000000, -0.0067090500000000, 0.0047098600000000 ] - [ -0.0025123400000000, 0.0012298100000000, -0.0003077800000000 ] - [ -0.0022134500000000, 0.0011514800000000, -0.0001524700000000 ] - [ 0.0028413600000000, -0.0077391100000000, -0.0031871800000000 ] - [ 0.0015574300000000, -0.0015374100000000, 0.0000000000000000 ] - [ -0.0005334100000000, 0.0008650500000000, 0.0000000000000000 ] - [ -0.0016991200000000, 0.0005028000000000, 0.0000000000000000 ] - [ 0.0031478100000000, -0.0015314600000000, 0.0000000000000000 ] - [ -0.0028450300000000, -0.0006452800000000, 0.0000000000000000 ] - [ 0.0790110300000000, 0.0704894100000000, 0.0000000000000000 ] - [ -0.0000010100000000, -0.0045632900000000, 0.0000000000000000 ] - [ -0.0007649700000000, 0.0020411000000000, 0.0000000000000000 ] - [ 0.0011856700000000, 0.0020159000000000, 0.0000042000000000 ] - [ -0.0007194100000000, -0.0003433500000000, 0.0004782700000000 ] - [ -0.0123706600000000, 0.0108835200000000, 0.0105041500000000 ] - [ -0.0032199300000000, -0.0020568600000000, -0.0007498800000000 ] - [ 0.0011856700000000, 0.0020159000000000, -0.0000042000000000 ] - [ -0.0007194100000000, -0.0003433500000000, -0.0004782700000000 ] - [ -0.0123706600000000, 0.0108835200000000, -0.0105041500000000 ] - [ -0.0032199300000000, -0.0020568600000000, 0.0007498800000000 ] - [ -0.0016818600000000, 0.0006628700000000, -0.0016999800000000 ] - [ 0.0006663400000000, -0.0014961700000000, 0.0021279100000000 ] - [ 0.0007596900000000, 0.0011382700000000, 0.0003591400000000 ] - [ -0.0002591700000000, 0.0002554600000000, 0.0000815700000000 ] - [ -0.0016818600000000, 0.0006628700000000, 0.0016999800000000 ] - [ 0.0006663400000000, -0.0014961700000000, -0.0021279100000000 ] - [ 0.0007596900000000, 0.0011382700000000, -0.0003591400000000 ] - [ -0.0002591700000000, 0.0002554600000000, -0.0000815700000000 ] - [ 0.0000326200000000, 0.0030132600000000, 0.0000000000000000 ] - [ -0.0000683800000000, -0.0010075700000000, 0.0000000000000000 ] - [ 0.0014071600000000, 0.0010554200000000, 0.0000000000000000 ] - [ -0.0011179300000000, 0.0001846700000000, 0.0000000000000000 ] - [ 0.2132281600000000, -0.0415253000000000, 0.0000000000000000 ] - [ -0.0042172800000000, 0.0014197800000000, 0.0000000000000000 ] - [ -0.0014499500000000, 0.0025379400000000, 0.0000000000000000 ] - [ -0.0007934400000000, -0.0011191200000000, 0.0000000000000000 ] - [ 0.0031557800000000, -0.0015101100000000, -0.0019167100000000 ] - [ -0.0026584700000000, 0.0003072400000000, 0.0013876200000000 ] - [ -0.0011752400000000, 0.0015925800000000, -0.0002476200000000 ] - [ 0.0006191300000000, -0.0008783000000000, 0.0005071700000000 ] - [ 0.0031557800000000, -0.0015101100000000, 0.0019167100000000 ] - [ -0.0026584700000000, 0.0003072400000000, -0.0013876200000000 ] - [ -0.0011752400000000, 0.0015925800000000, 0.0002476200000000 ] - [ 0.0006191300000000, -0.0008783000000000, -0.0005071700000000 ] - [ -0.0015941400000000, -0.0018599900000000, -0.0012265800000000 ] - [ 0.0005374100000000, 0.0017492200000000, 0.0016558600000000 ] - [ -0.0010740400000000, -0.0002456600000000, 0.0003917800000000 ] - [ 0.0017561200000000, 0.0008790100000000, -0.0002173700000000 ] - [ -0.0015941400000000, -0.0018599900000000, 0.0012265800000000 ] - [ 0.0005374100000000, 0.0017492200000000, -0.0016558600000000 ] - [ -0.0010740400000000, -0.0002456600000000, -0.0003917800000000 ] - [ 0.0017561200000000, 0.0008790100000000, 0.0002173700000000 ] - [ -0.0020076100000000, -0.0016652300000000, 0.0000000000000000 ] - [ -0.0006697100000000, 0.0037164100000000, 0.0000000000000000 ] - [ -0.0027712700000000, -0.0006812200000000, 0.0000000000000000 ] - [ 0.0190414400000000, 0.0144037000000000, 0.0000000000000000 ]- atom: 17 displacement: [ -0.0100000000000000, -0.0000000000296212, 0.0000000000000000 ] forces: - [ 0.0117545700000000, 0.0015696700000000, 0.0016625300000000 ] - [ -0.0036996500000000, -0.0000276000000000, 0.0001307200000000 ] - [ -0.0025052200000000, 0.0065032500000000, 0.0036199200000000 ] - [ -0.0016558300000000, -0.0036658600000000, -0.0020976200000000 ] - [ 0.0117545700000000, 0.0015696700000000, -0.0016625300000000 ] - [ -0.0036996500000000, -0.0000276000000000, -0.0001307200000000 ] - [ -0.0025052200000000, 0.0065032500000000, -0.0036199200000000 ] - [ -0.0016558300000000, -0.0036658600000000, 0.0020976200000000 ] - [ -0.0096055200000000, -0.0048939500000000, -0.0090263100000000 ] - [ -0.0141899100000000, 0.0032313400000000, 0.0139374000000000 ] - [ -0.0011830900000000, 0.0009977100000000, 0.0000763800000000 ] - [ 0.0028172200000000, 0.0002608400000000, 0.0000980200000000 ] - [ -0.0096055200000000, -0.0048939500000000, 0.0090263100000000 ] - [ -0.0141899100000000, 0.0032313400000000, -0.0139374000000000 ] - [ -0.0011830900000000, 0.0009977100000000, -0.0000763800000000 ] - [ 0.0028172200000000, 0.0002608400000000, -0.0000980200000000 ] - [ 0.4223352600000000, -0.0357839900000000, 0.0000000000000000 ] - [ -0.0046319700000000, 0.0000914200000000, 0.0000000000000000 ] - [ -0.0013052400000000, 0.0038535100000000, 0.0000000000000000 ] - [ -0.0006982600000000, -0.0028691400000000, 0.0000000000000000 ] - [ -0.0038423500000000, -0.0087687200000000, 0.0000000000000000 ] - [ -0.0040274600000000, 0.0021524300000000, 0.0000000000000000 ] - [ -0.0043883200000000, 0.0011392000000000, 0.0000000000000000 ] - [ 0.0206980300000000, -0.0239462900000000, 0.0000000000000000 ] - [ -0.0040391100000000, -0.0000773400000000, 0.0000000000000000 ] - [ 0.0037973400000000, -0.0004904200000000, 0.0000000000000000 ] - [ 0.0009760400000000, -0.0011962300000000, 0.0000000000000000 ] - [ -0.0005945200000000, 0.0017766900000000, 0.0000000000000000 ] - [ 0.0021330300000000, 0.0053427900000000, 0.0000000000000000 ] - [ -0.0017652900000000, -0.0026484500000000, 0.0000000000000000 ] - [ -0.0328042100000000, 0.0548952600000000, 0.0000000000000000 ] - [ -0.0062587400000000, -0.0008659400000000, 0.0000000000000000 ] - [ 0.0042876900000000, 0.0007834400000000, 0.0000000000000000 ] - [ -0.0026168500000000, -0.0008860300000000, 0.0000000000000000 ] - [ 0.0000546400000000, 0.0024360900000000, 0.0000000000000000 ] - [ 0.0002293500000000, -0.0012978500000000, 0.0000000000000000 ] - [ 0.0007058500000000, -0.0022922100000000, 0.0000000000000000 ] - [ -0.0011881000000000, 0.0023736100000000, 0.0000000000000000 ] - [ -0.0023895000000000, -0.0001990700000000, 0.0000000000000000 ] - [ 0.0030450200000000, -0.0001325400000000, 0.0000000000000000 ] - [ -0.0039916900000000, -0.0006788700000000, 0.0000000000000000 ] - [ 0.0022988100000000, 0.0005711700000000, 0.0000000000000000 ] - [ -0.0006591500000000, -0.0012904000000000, 0.0000000000000000 ] - [ -0.0008438700000000, 0.0002131900000000, 0.0000000000000000 ] - [ -0.0545505300000000, 0.0246050100000000, -0.0458283800000000 ] - [ 0.0027262900000000, 0.0006992700000000, 0.0002834100000000 ] - [ -0.0004723400000000, -0.0022392300000000, 0.0005393500000000 ] - [ 0.0006601400000000, 0.0014744900000000, -0.0004724800000000 ] - [ -0.0545505300000000, 0.0246050100000000, 0.0458283800000000 ] - [ 0.0027262900000000, 0.0006992700000000, -0.0002834100000000 ] - [ -0.0004723400000000, -0.0022392300000000, -0.0005393500000000 ] - [ 0.0006601400000000, 0.0014744900000000, 0.0004724800000000 ] - [ -0.0006367500000000, 0.0065726900000000, 0.0044097400000000 ] - [ 0.0025476400000000, -0.0013309900000000, -0.0005783400000000 ] - [ 0.0022472300000000, -0.0012463800000000, -0.0004229900000000 ] - [ -0.0028004800000000, 0.0076046900000000, -0.0034280300000000 ] - [ -0.0006367500000000, 0.0065726900000000, -0.0044097400000000 ] - [ 0.0025476400000000, -0.0013309900000000, 0.0005783400000000 ] - [ 0.0022472300000000, -0.0012463800000000, 0.0004229900000000 ] - [ -0.0028004800000000, 0.0076046900000000, 0.0034280300000000 ] - [ -0.0004351800000000, 0.0007690600000000, 0.0000000000000000 ] - [ 0.0016437600000000, -0.0016293500000000, 0.0000000000000000 ] - [ 0.0028144400000000, -0.0012667500000000, 0.0000000000000000 ] - [ -0.0020334900000000, 0.0007630800000000, 0.0000000000000000 ] - [ 0.0027364000000000, -0.0007010900000000, 0.0000000000000000 ] - [ -0.0799020100000000, -0.0747358400000000, 0.0000000000000000 ] - [ -0.0001061000000000, 0.0031991200000000, 0.0000000000000000 ] - [ 0.0006567900000000, -0.0033948400000000, 0.0000000000000000 ] - [ -0.0011220100000000, -0.0019215400000000, 0.0002660800000000 ] - [ 0.0007857700000000, 0.0004165900000000, -0.0002098000000000 ] - [ 0.0124295100000000, -0.0108318100000000, -0.0102663800000000 ] - [ 0.0032963100000000, 0.0021485200000000, 0.0010287000000000 ] - [ -0.0011220100000000, -0.0019215400000000, -0.0002660800000000 ] - [ 0.0007857700000000, 0.0004165900000000, 0.0002098000000000 ] - [ 0.0124295100000000, -0.0108318100000000, 0.0102663800000000 ] - [ 0.0032963100000000, 0.0021485200000000, -0.0010287000000000 ] - [ 0.0016149100000000, -0.0007369900000000, 0.0019655300000000 ] - [ -0.0007465600000000, 0.0014195800000000, -0.0018654800000000 ] - [ -0.0008239700000000, -0.0012045600000000, -0.0000911600000000 ] - [ 0.0001895400000000, -0.0003352500000000, 0.0001844000000000 ] - [ 0.0016149100000000, -0.0007369900000000, -0.0019655300000000 ] - [ -0.0007465600000000, 0.0014195800000000, 0.0018654800000000 ] - [ -0.0008239700000000, -0.0012045600000000, 0.0000911600000000 ] - [ 0.0001895400000000, -0.0003352500000000, -0.0001844000000000 ] - [ 0.0000754400000000, -0.0016616900000000, 0.0000000000000000 ] - [ 0.0001772400000000, 0.0023533900000000, 0.0000000000000000 ] - [ -0.0012956100000000, 0.0002912900000000, 0.0000000000000000 ] - [ 0.0012265300000000, 0.0011682900000000, 0.0000000000000000 ] - [ -0.2000314200000000, 0.0378971800000000, 0.0000000000000000 ] - [ 0.0031085400000000, -0.0006546600000000, 0.0000000000000000 ] - [ 0.0003268600000000, -0.0017730200000000, 0.0000000000000000 ] - [ -0.0003241700000000, 0.0018798000000000, 0.0000000000000000 ] - [ -0.0031721400000000, 0.0016045400000000, 0.0021778300000000 ] - [ 0.0026284500000000, -0.0002092000000000, -0.0011259800000000 ] - [ 0.0011429200000000, -0.0014936800000000, 0.0005141500000000 ] - [ -0.0006520000000000, 0.0009753700000000, -0.0002403100000000 ] - [ -0.0031721400000000, 0.0016045400000000, -0.0021778300000000 ] - [ 0.0026284500000000, -0.0002092000000000, 0.0011259800000000 ] - [ 0.0011429200000000, -0.0014936800000000, -0.0005141500000000 ] - [ -0.0006520000000000, 0.0009753700000000, 0.0002403100000000 ] - [ 0.0016962600000000, 0.0018387600000000, 0.0014903200000000 ] - [ -0.0004548300000000, -0.0017733000000000, -0.0013894800000000 ] - [ 0.0011755000000000, 0.0002284500000000, -0.0001239100000000 ] - [ -0.0016545900000000, -0.0009009200000000, 0.0004830300000000 ] - [ 0.0016962600000000, 0.0018387600000000, -0.0014903200000000 ] - [ -0.0004548300000000, -0.0017733000000000, 0.0013894800000000 ] - [ 0.0011755000000000, 0.0002284500000000, 0.0001239100000000 ] - [ -0.0016545900000000, -0.0009009200000000, -0.0004830300000000 ] - [ 0.0032103500000000, 0.0022410400000000, 0.0000000000000000 ] - [ 0.0018673200000000, -0.0031520000000000, 0.0000000000000000 ] - [ 0.0039929700000000, 0.0012696900000000, 0.0000000000000000 ] - [ -0.0177987200000000, -0.0137470300000000, 0.0000000000000000 ]- atom: 17 displacement: [ -0.0050000000321553, 0.0086602540192795, 0.0000000000000000 ] forces: - [ 0.0140282900000000, 0.0108071000000000, -0.0117398400000000 ] - [ -0.0035119100000000, 0.0010280700000000, 0.0000798300000000 ] - [ -0.0039914400000000, 0.0051709700000000, 0.0038839200000000 ] - [ 0.0047040500000000, -0.0006544200000000, 0.0042125400000000 ] - [ 0.0140282900000000, 0.0108071000000000, 0.0117398400000000 ] - [ -0.0035119100000000, 0.0010280700000000, -0.0000798300000000 ] - [ -0.0039914400000000, 0.0051709700000000, -0.0038839200000000 ] - [ 0.0047040500000000, -0.0006544200000000, -0.0042125400000000 ] - [ -0.0045876300000000, -0.0075968200000000, -0.0069956900000000 ] - [ -0.0159459000000000, -0.0098168400000000, 0.0079863200000000 ] - [ 0.0005559700000000, 0.0049586900000000, 0.0004238700000000 ] - [ -0.0009811600000000, 0.0060042700000000, -0.0027124000000000 ] - [ -0.0045876300000000, -0.0075968200000000, 0.0069956900000000 ] - [ -0.0159459000000000, -0.0098168400000000, -0.0079863200000000 ] - [ 0.0005559700000000, 0.0049586900000000, -0.0004238700000000 ] - [ -0.0009811600000000, 0.0060042700000000, 0.0027124000000000 ] - [ 0.2472681800000000, -0.3797309300000000, 0.0000000000000000 ] - [ -0.0022119800000000, -0.0014876900000000, 0.0000000000000000 ] - [ -0.0038130500000000, 0.0066703800000000, 0.0000000000000000 ] - [ 0.0023185400000000, 0.0021371400000000, 0.0000000000000000 ] - [ 0.0028252900000000, -0.0006148300000000, 0.0000000000000000 ] - [ -0.0084464400000000, 0.0025661700000000, 0.0000000000000000 ] - [ -0.0019059300000000, 0.0011492300000000, 0.0000000000000000 ] - [ 0.0097435300000000, 0.0439301300000000, 0.0000000000000000 ] - [ -0.0028994600000000, -0.0005914800000000, 0.0000000000000000 ] - [ 0.0010467000000000, -0.0036571800000000, 0.0000000000000000 ] - [ 0.0030966900000000, 0.0008051300000000, 0.0000000000000000 ] - [ -0.0023919600000000, 0.0027482100000000, 0.0000000000000000 ] - [ -0.0008680000000000, 0.0113745400000000, 0.0000000000000000 ] - [ -0.0000384100000000, 0.0012044100000000, 0.0000000000000000 ] - [ -0.0428310400000000, 0.0366199700000000, 0.0000000000000000 ] - [ 0.0019825000000000, -0.0011673600000000, 0.0000000000000000 ] - [ 0.0029165900000000, -0.0028926500000000, 0.0000000000000000 ] - [ -0.0019401400000000, -0.0024585700000000, 0.0000000000000000 ] - [ -0.0009612900000000, 0.0038966600000000, 0.0000000000000000 ] - [ 0.0019726800000000, 0.0016201500000000, 0.0000000000000000 ] - [ 0.0021595500000000, -0.0007152800000000, 0.0000000000000000 ] - [ -0.0028295400000000, 0.0038801100000000, 0.0000000000000000 ] - [ -0.0012042900000000, -0.0006293400000000, 0.0000000000000000 ] - [ 0.0014560000000000, -0.0020091000000000, 0.0000000000000000 ] - [ -0.0020084700000000, 0.0016214400000000, 0.0000000000000000 ] - [ 0.0018281900000000, 0.0008656700000000, 0.0000000000000000 ] - [ 0.0002533900000000, -0.0016595700000000, 0.0000000000000000 ] - [ -0.0028822900000000, -0.0014389300000000, 0.0000000000000000 ] - [ -0.0496452100000000, 0.0871226700000000, -0.0980212700000000 ] - [ 0.0014310600000000, 0.0009830400000000, -0.0001559100000000 ] - [ 0.0015674400000000, -0.0030049800000000, 0.0005452700000000 ] - [ -0.0015064300000000, -0.0009325300000000, 0.0000104900000000 ] - [ -0.0496452100000000, 0.0871226700000000, 0.0980212700000000 ] - [ 0.0014310600000000, 0.0009830400000000, 0.0001559100000000 ] - [ 0.0015674400000000, -0.0030049800000000, -0.0005452700000000 ] - [ -0.0015064300000000, -0.0009325300000000, -0.0000104900000000 ] - [ -0.0057509400000000, 0.0042962200000000, 0.0020480300000000 ] - [ 0.0037116200000000, -0.0010679900000000, -0.0009529000000000 ] - [ 0.0018284900000000, -0.0016401200000000, -0.0001154200000000 ] - [ -0.0038829900000000, -0.0076139200000000, 0.0064193100000000 ] - [ -0.0057509400000000, 0.0042962200000000, -0.0020480300000000 ] - [ 0.0037116200000000, -0.0010679900000000, 0.0009529000000000 ] - [ 0.0018284900000000, -0.0016401200000000, 0.0001154200000000 ] - [ -0.0038829900000000, -0.0076139200000000, -0.0064193100000000 ] - [ -0.0013002500000000, 0.0000440800000000, 0.0000000000000000 ] - [ 0.0034545200000000, -0.0028014600000000, 0.0000000000000000 ] - [ 0.0017459500000000, -0.0006846200000000, 0.0000000000000000 ] - [ -0.0012998900000000, 0.0016920700000000, 0.0000000000000000 ] - [ 0.0018241300000000, -0.0002147900000000, 0.0000000000000000 ] - [ 0.0236976300000000, 0.0969560100000000, 0.0000000000000000 ] - [ -0.0015114400000000, -0.0015343100000000, 0.0000000000000000 ] - [ 0.0018360400000000, -0.0050570100000000, 0.0000000000000000 ] - [ -0.0007096000000000, -0.0056948700000000, 0.0010057100000000 ] - [ 0.0003460900000000, -0.0014015200000000, 0.0000841100000000 ] - [ 0.0110846600000000, -0.0059660100000000, -0.0090213000000000 ] - [ -0.0022242600000000, 0.0027052200000000, -0.0020646200000000 ] - [ -0.0007096000000000, -0.0056948700000000, -0.0010057100000000 ] - [ 0.0003460900000000, -0.0014015200000000, -0.0000841100000000 ] - [ 0.0110846600000000, -0.0059660100000000, 0.0090213000000000 ] - [ -0.0022242600000000, 0.0027052200000000, 0.0020646200000000 ] - [ 0.0010970400000000, 0.0003814000000000, 0.0014239200000000 ] - [ -0.0005844300000000, 0.0043545000000000, -0.0008087500000000 ] - [ -0.0016144200000000, -0.0033214200000000, -0.0006902500000000 ] - [ 0.0009637500000000, -0.0019521000000000, 0.0010921900000000 ] - [ 0.0010970400000000, 0.0003814000000000, -0.0014239200000000 ] - [ -0.0005844300000000, 0.0043545000000000, 0.0008087500000000 ] - [ -0.0016144200000000, -0.0033214200000000, 0.0006902500000000 ] - [ 0.0009637500000000, -0.0019521000000000, -0.0010921900000000 ] - [ 0.0005988600000000, -0.0029456700000000, 0.0000000000000000 ] - [ -0.0004293400000000, 0.0002088800000000, 0.0000000000000000 ] - [ -0.0006598100000000, 0.0029297000000000, 0.0000000000000000 ] - [ 0.0005825700000000, 0.0018595000000000, 0.0000000000000000 ] - [ -0.1346013200000000, 0.0568044200000000, 0.0000000000000000 ] - [ 0.0003133300000000, 0.0015615600000000, 0.0000000000000000 ] - [ 0.0024894200000000, -0.0040269500000000, 0.0000000000000000 ] - [ -0.0014210000000000, -0.0009603600000000, 0.0000000000000000 ] - [ -0.0039192500000000, 0.0031839300000000, 0.0007041800000000 ] - [ 0.0030945600000000, 0.0001836900000000, -0.0016473100000000 ] - [ 0.0013604800000000, -0.0020691200000000, 0.0005864800000000 ] - [ -0.0009600700000000, -0.0006261300000000, 0.0011989900000000 ] - [ -0.0039192500000000, 0.0031839300000000, -0.0007041800000000 ] - [ 0.0030945600000000, 0.0001836900000000, 0.0016473100000000 ] - [ 0.0013604800000000, -0.0020691200000000, -0.0005864800000000 ] - [ -0.0009600700000000, -0.0006261300000000, -0.0011989900000000 ] - [ 0.0006524200000000, 0.0011546700000000, 0.0010093300000000 ] - [ 0.0020557600000000, -0.0016233600000000, -0.0025286100000000 ] - [ -0.0007297300000000, -0.0006865000000000, 0.0000948300000000 ] - [ -0.0001966100000000, -0.0002454900000000, 0.0012838300000000 ] - [ 0.0006524200000000, 0.0011546700000000, -0.0010093300000000 ] - [ 0.0020557600000000, -0.0016233600000000, 0.0025286100000000 ] - [ -0.0007297300000000, -0.0006865000000000, -0.0000948300000000 ] - [ -0.0001966100000000, -0.0002454900000000, -0.0012838300000000 ] - [ -0.0006984400000000, -0.0001589200000000, 0.0000000000000000 ] - [ 0.0054379700000000, -0.0048510700000000, 0.0000000000000000 ] - [ 0.0011484400000000, 0.0002293900000000, 0.0000000000000000 ] - [ 0.0016777600000000, -0.0139273800000000, 0.0000000000000000 ]- atom: 17 displacement: [ 0.0050000000321553, -0.0086602540192795, 0.0000000000000000 ] forces: - [ -0.0139987400000000, -0.0108561500000000, 0.0120986500000000 ] - [ 0.0035042300000000, -0.0010365600000000, 0.0003308800000000 ] - [ 0.0040034500000000, -0.0051641200000000, -0.0034827800000000 ] - [ -0.0047038700000000, 0.0006684100000000, -0.0037931300000000 ] - [ -0.0139987400000000, -0.0108561500000000, -0.0120986500000000 ] - [ 0.0035042300000000, -0.0010365600000000, -0.0003308800000000 ] - [ 0.0040034500000000, -0.0051641200000000, 0.0034827800000000 ] - [ -0.0047038700000000, 0.0006684100000000, 0.0037931300000000 ] - [ 0.0045670400000000, 0.0076029300000000, 0.0073949300000000 ] - [ 0.0159562600000000, 0.0097591800000000, -0.0075284300000000 ] - [ -0.0005443000000000, -0.0049486000000000, 0.0000049100000000 ] - [ 0.0009675700000000, -0.0060163200000000, 0.0031435400000000 ] - [ 0.0045670400000000, 0.0076029300000000, -0.0073949300000000 ] - [ 0.0159562600000000, 0.0097591800000000, 0.0075284300000000 ] - [ -0.0005443000000000, -0.0049486000000000, -0.0000049100000000 ] - [ 0.0009675700000000, -0.0060163200000000, -0.0031435400000000 ] - [ -0.2514224100000000, 0.3808971400000000, 0.0000000000000000 ] - [ 0.0021949600000000, 0.0019046400000000, 0.0000000000000000 ] - [ 0.0037902300000000, -0.0062425100000000, 0.0000000000000000 ] - [ -0.0023367100000000, -0.0017185300000000, 0.0000000000000000 ] - [ -0.0031655600000000, 0.0003670200000000, 0.0000000000000000 ] - [ 0.0080089900000000, -0.0028055900000000, 0.0000000000000000 ] - [ 0.0015700500000000, -0.0013657500000000, 0.0000000000000000 ] - [ -0.0103996900000000, -0.0443674000000000, 0.0000000000000000 ] - [ 0.0025282600000000, 0.0007803500000000, 0.0000000000000000 ] - [ -0.0014149900000000, 0.0038583700000000, 0.0000000000000000 ] - [ -0.0034673500000000, -0.0006232700000000, 0.0000000000000000 ] - [ 0.0020255100000000, -0.0025655700000000, 0.0000000000000000 ] - [ 0.0012755100000000, -0.0114550300000000, 0.0000000000000000 ] - [ 0.0004014900000000, -0.0013970800000000, 0.0000000000000000 ] - [ 0.0437098600000000, -0.0368476500000000, 0.0000000000000000 ] - [ -0.0015940900000000, 0.0009837700000000, 0.0000000000000000 ] - [ -0.0025834700000000, 0.0031272800000000, 0.0000000000000000 ] - [ 0.0022847900000000, 0.0026832200000000, 0.0000000000000000 ] - [ 0.0013057300000000, -0.0036811500000000, 0.0000000000000000 ] - [ -0.0016330900000000, -0.0013990800000000, 0.0000000000000000 ] - [ -0.0021476300000000, 0.0002966300000000, 0.0000000000000000 ] - [ 0.0028541300000000, -0.0043064900000000, 0.0000000000000000 ] - [ 0.0012221800000000, 0.0002168300000000, 0.0000000000000000 ] - [ -0.0014435900000000, 0.0016028000000000, 0.0000000000000000 ] - [ 0.0007978700000000, -0.0022145500000000, 0.0000000000000000 ] - [ -0.0030413600000000, -0.0014562300000000, 0.0000000000000000 ] - [ -0.0014679600000000, 0.0010720700000000, 0.0000000000000000 ] - [ 0.0016713000000000, 0.0008510000000000, 0.0000000000000000 ] - [ 0.0488574600000000, -0.0858909000000000, 0.0941197300000000 ] - [ -0.0015365400000000, -0.0009541000000000, 0.0004020600000000 ] - [ -0.0016802600000000, 0.0030318100000000, -0.0002872900000000 ] - [ 0.0013945000000000, 0.0009565900000000, 0.0002368000000000 ] - [ 0.0488574600000000, -0.0858909000000000, -0.0941197300000000 ] - [ -0.0015365400000000, -0.0009541000000000, -0.0004020600000000 ] - [ -0.0016802600000000, 0.0030318100000000, 0.0002872900000000 ] - [ 0.0013945000000000, 0.0009565900000000, -0.0002368000000000 ] - [ 0.0057787900000000, -0.0043942200000000, -0.0022997300000000 ] - [ -0.0036629800000000, 0.0009751200000000, 0.0006860600000000 ] - [ -0.0018000300000000, 0.0015279800000000, -0.0001333600000000 ] - [ 0.0039551300000000, 0.0074831800000000, -0.0066568000000000 ] - [ 0.0057787900000000, -0.0043942200000000, 0.0022997300000000 ] - [ -0.0036629800000000, 0.0009751200000000, -0.0006860600000000 ] - [ -0.0018000300000000, 0.0015279800000000, 0.0001333600000000 ] - [ 0.0039551300000000, 0.0074831800000000, 0.0066568000000000 ] - [ 0.0024228100000000, -0.0008011300000000, 0.0000000000000000 ] - [ -0.0023418000000000, 0.0020478000000000, 0.0000000000000000 ] - [ -0.0006242200000000, -0.0000782800000000, 0.0000000000000000 ] - [ 0.0024272200000000, -0.0024614000000000, 0.0000000000000000 ] - [ -0.0019283200000000, -0.0011425700000000, 0.0000000000000000 ] - [ -0.0257290600000000, -0.1001635300000000, 0.0000000000000000 ] - [ 0.0014056400000000, 0.0001866300000000, 0.0000000000000000 ] - [ -0.0019189500000000, 0.0036946700000000, 0.0000000000000000 ] - [ 0.0007644900000000, 0.0057589200000000, -0.0007269200000000 ] - [ -0.0002638200000000, 0.0014865200000000, 0.0001637000000000 ] - [ -0.0110285900000000, 0.0059960200000000, 0.0092519500000000 ] - [ 0.0022941000000000, -0.0026294000000000, 0.0023039200000000 ] - [ 0.0007644900000000, 0.0057589200000000, 0.0007269200000000 ] - [ -0.0002638200000000, 0.0014865200000000, -0.0001637000000000 ] - [ -0.0110285900000000, 0.0059960200000000, -0.0092519500000000 ] - [ 0.0022941000000000, -0.0026294000000000, -0.0023039200000000 ] - [ -0.0011746500000000, -0.0004698800000000, -0.0011762100000000 ] - [ 0.0005001300000000, -0.0044422800000000, 0.0010548900000000 ] - [ 0.0015348100000000, 0.0032530600000000, 0.0009351100000000 ] - [ -0.0010422500000000, 0.0018735100000000, -0.0008475100000000 ] - [ -0.0011746500000000, -0.0004698800000000, 0.0011762100000000 ] - [ 0.0005001300000000, -0.0044422800000000, -0.0010548900000000 ] - [ 0.0015348100000000, 0.0032530600000000, -0.0009351100000000 ] - [ -0.0010422500000000, 0.0018735100000000, 0.0008475100000000 ] - [ -0.0004989700000000, 0.0043070400000000, 0.0000000000000000 ] - [ 0.0005329200000000, 0.0011445300000000, 0.0000000000000000 ] - [ 0.0007625200000000, -0.0015893000000000, 0.0000000000000000 ] - [ -0.0004839400000000, -0.0005106000000000, 0.0000000000000000 ] - [ 0.1406640300000000, -0.0568589200000000, 0.0000000000000000 ] - [ -0.0014375800000000, -0.0007969500000000, 0.0000000000000000 ] - [ -0.0036095000000000, 0.0047672400000000, 0.0000000000000000 ] - [ 0.0003019000000000, 0.0017226000000000, 0.0000000000000000 ] - [ 0.0038933100000000, -0.0030762500000000, -0.0004555400000000 ] - [ -0.0031304500000000, -0.0000720100000000, 0.0018956600000000 ] - [ -0.0013918100000000, 0.0021782900000000, -0.0003430300000000 ] - [ 0.0009334400000000, 0.0007342300000000, -0.0009549000000000 ] - [ 0.0038933100000000, -0.0030762500000000, 0.0004555400000000 ] - [ -0.0031304500000000, -0.0000720100000000, -0.0018956600000000 ] - [ -0.0013918100000000, 0.0021782900000000, 0.0003430300000000 ] - [ 0.0009334400000000, 0.0007342300000000, 0.0009549000000000 ] - [ -0.0005380900000000, -0.0011773600000000, -0.0007614000000000 ] - [ -0.0019577600000000, 0.0016108500000000, 0.0027834900000000 ] - [ 0.0008364300000000, 0.0006572100000000, 0.0001508800000000 ] - [ 0.0003066300000000, 0.0002178200000000, -0.0010396800000000 ] - [ -0.0005380900000000, -0.0011773600000000, 0.0007614000000000 ] - [ -0.0019577600000000, 0.0016108500000000, -0.0027834900000000 ] - [ 0.0008364300000000, 0.0006572100000000, -0.0001508800000000 ] - [ 0.0003066300000000, 0.0002178200000000, 0.0010396800000000 ] - [ 0.0019158900000000, 0.0007542700000000, 0.0000000000000000 ] - [ -0.0041736000000000, 0.0053893600000000, 0.0000000000000000 ] - [ 0.0000555400000000, 0.0003552500000000, 0.0000000000000000 ] - [ -0.0004527900000000, 0.0145511200000000, 0.0000000000000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0146672600000000, -0.0241755800000000, 0.0201247100000000 ] - [ 0.0013314300000000, -0.0009904400000000, 0.0004985400000000 ] - [ -0.0000603300000000, 0.0002881000000000, 0.0003321600000000 ] - [ 0.0003434000000000, 0.0026219200000000, 0.0003588100000000 ] - [ 0.0146516000000000, 0.0242897600000000, 0.0197313200000000 ] - [ -0.0013284800000000, 0.0009915000000000, 0.0000238100000000 ] - [ 0.0000648200000000, -0.0002916000000000, -0.0001462400000000 ] - [ -0.0003480100000000, -0.0026348300000000, -0.0001282600000000 ] - [ 0.0042709100000000, -0.0016643700000000, -0.0002721700000000 ] - [ -0.0267282000000000, -0.0024801300000000, 0.0114245500000000 ] - [ -0.0000017600000000, 0.0024593600000000, 0.0002004100000000 ] - [ 0.0000909600000000, -0.0002028900000000, 0.0000867400000000 ] - [ -0.0042543000000000, 0.0016617600000000, -0.0007235900000000 ] - [ 0.0266372200000000, 0.0025302300000000, 0.0109502200000000 ] - [ -0.0000006100000000, -0.0024585400000000, -0.0002713800000000 ] - [ -0.0000925800000000, 0.0002011100000000, -0.0003747700000000 ] - [ 0.0041637700000000, -0.0073069900000000, -0.4707152200000000 ] - [ -0.0000087600000000, 0.0002123200000000, -0.0014323600000000 ] - [ -0.0000109000000000, 0.0002158000000000, -0.0003353200000000 ] - [ -0.0000090400000000, 0.0002152200000000, -0.0013238100000000 ] - [ -0.0001799000000000, -0.0001189900000000, -0.0104352500000000 ] - [ -0.0001780600000000, -0.0001179600000000, -0.0047030600000000 ] - [ -0.0001756700000000, -0.0001160500000000, -0.0007343000000000 ] - [ -0.0001539200000000, -0.0000968200000000, -0.0025748600000000 ] - [ -0.0001900600000000, 0.0000940500000000, 0.0011484600000000 ] - [ -0.0001941500000000, 0.0000882700000000, 0.0100510200000000 ] - [ -0.0001932800000000, 0.0000939600000000, 0.0052569700000000 ] - [ -0.0001900500000000, 0.0000938200000000, 0.0006760200000000 ] - [ 0.0001951000000000, -0.0000974100000000, -0.0104349000000000 ] - [ 0.0001916500000000, -0.0000936300000000, -0.0007343500000000 ] - [ 0.0001596200000000, -0.0000982200000000, -0.0025749000000000 ] - [ 0.0001964800000000, -0.0000934500000000, -0.0047030500000000 ] - [ 0.0001824400000000, 0.0001122000000000, 0.0100503000000000 ] - [ 0.0001743700000000, 0.0001168600000000, 0.0052571000000000 ] - [ 0.0001766200000000, 0.0001150500000000, 0.0011479400000000 ] - [ 0.0001752400000000, 0.0001159500000000, 0.0006757600000000 ] - [ 0.0000108400000000, -0.0002120300000000, 0.0017780700000000 ] - [ 0.0000116500000000, -0.0002145900000000, 0.0116082800000000 ] - [ 0.0000090300000000, -0.0002167100000000, 0.0013478200000000 ] - [ 0.0000140200000000, -0.0002240500000000, 0.0011921300000000 ] - [ -0.0006082200000000, -0.0002943100000000, -0.0045240400000000 ] - [ -0.0006069000000000, -0.0002966800000000, -0.0010832100000000 ] - [ -0.0006083500000000, -0.0002962500000000, -0.0002745600000000 ] - [ -0.0006074700000000, -0.0002968600000000, -0.0008545900000000 ] - [ 0.0457254500000000, -0.0803775100000000, 0.1781858400000000 ] - [ 0.0002210100000000, -0.0001755700000000, 0.0009267300000000 ] - [ -0.0000390000000000, -0.0001053000000000, 0.0003918800000000 ] - [ 0.0000720800000000, -0.0003786100000000, 0.0009867600000000 ] - [ -0.0495510200000000, 0.0869757800000000, 0.1873688900000000 ] - [ -0.0003437600000000, 0.0002063500000000, 0.0006951200000000 ] - [ -0.0000799300000000, 0.0001339800000000, 0.0001613400000000 ] - [ -0.0001933800000000, 0.0004089900000000, 0.0007561600000000 ] - [ -0.0064749200000000, -0.0017715700000000, 0.0047916100000000 ] - [ 0.0020594000000000, -0.0027163500000000, 0.0025137700000000 ] - [ 0.0001773800000000, -0.0003938900000000, 0.0003212100000000 ] - [ -0.0000027500000000, -0.0013298800000000, 0.0017409300000000 ] - [ 0.0064996500000000, 0.0016458400000000, 0.0050125000000000 ] - [ -0.0020268500000000, 0.0025951400000000, 0.0027459400000000 ] - [ -0.0001445800000000, 0.0002737700000000, 0.0005536800000000 ] - [ 0.0000334900000000, 0.0011881000000000, 0.0019404900000000 ] - [ 0.0005649700000000, -0.0003825700000000, -0.0015698300000000 ] - [ 0.0005608100000000, -0.0003792500000000, -0.0018219200000000 ] - [ 0.0005630000000000, -0.0003796700000000, -0.0003822300000000 ] - [ 0.0005603700000000, -0.0003757400000000, -0.0016572500000000 ] - [ -0.0000494100000000, -0.0006775600000000, 0.0003631800000000 ] - [ 0.0002344900000000, -0.0000427900000000, 0.0297917600000000 ] - [ -0.0000497600000000, -0.0006794300000000, 0.0017181000000000 ] - [ -0.0000496900000000, -0.0006789100000000, 0.0005504600000000 ] - [ -0.0012351300000000, 0.0064133900000000, 0.0045652400000000 ] - [ -0.0002520100000000, 0.0003599300000000, 0.0006457600000000 ] - [ -0.0011440200000000, 0.0011966500000000, 0.0021909300000000 ] - [ -0.0013287600000000, -0.0028772900000000, 0.0028680800000000 ] - [ 0.0013253000000000, -0.0063232600000000, 0.0043338300000000 ] - [ 0.0003393000000000, -0.0002718500000000, 0.0004138000000000 ] - [ 0.0012478900000000, -0.0011190100000000, 0.0019931200000000 ] - [ 0.0014108300000000, 0.0029638500000000, 0.0026448000000000 ] - [ -0.0005290000000000, 0.0005540900000000, -0.0006797200000000 ] - [ -0.0002481200000000, 0.0039025100000000, -0.0061161300000000 ] - [ -0.0017468200000000, -0.0040481600000000, -0.0028120900000000 ] - [ -0.0001977200000000, -0.0002484500000000, -0.0003007000000000 ] - [ 0.0004399500000000, -0.0006428900000000, -0.0009140300000000 ] - [ 0.0001814000000000, -0.0039842500000000, -0.0063447000000000 ] - [ 0.0016586000000000, 0.0039602400000000, -0.0030420700000000 ] - [ 0.0001098000000000, 0.0001581300000000, -0.0005339100000000 ] - [ 0.0000491300000000, 0.0006796500000000, -0.0023864100000000 ] - [ 0.0000496300000000, 0.0006767600000000, -0.0003550400000000 ] - [ 0.0000475200000000, 0.0006836500000000, -0.0015143600000000 ] - [ 0.0000516400000000, 0.0006789500000000, -0.0011433300000000 ] - [ -0.0012372600000000, 0.0006349900000000, 0.0291613300000000 ] - [ -0.0005641100000000, 0.0003810600000000, 0.0011788200000000 ] - [ -0.0005622300000000, 0.0003808900000000, 0.0012653200000000 ] - [ -0.0005624700000000, 0.0003801100000000, 0.0003204500000000 ] - [ -0.0035473800000000, 0.0025530400000000, -0.0054520700000000 ] - [ 0.0043367300000000, -0.0002883000000000, -0.0047165400000000 ] - [ 0.0004955500000000, -0.0000469800000000, -0.0005953500000000 ] - [ -0.0001602200000000, 0.0003769300000000, -0.0002664200000000 ] - [ 0.0034952100000000, -0.0024461400000000, -0.0056791300000000 ] - [ -0.0043650400000000, 0.0004071800000000, -0.0049476400000000 ] - [ -0.0005296600000000, 0.0001674800000000, -0.0008293800000000 ] - [ 0.0001262400000000, -0.0002549000000000, -0.0005007100000000 ] - [ -0.0002378800000000, -0.0004725200000000, -0.0008591900000000 ] - [ 0.0029043100000000, -0.0033152900000000, -0.0091096900000000 ] - [ 0.0001421000000000, -0.0004690800000000, -0.0007813800000000 ] - [ 0.0000046200000000, 0.0000910000000000, -0.0003476000000000 ] - [ 0.0003568400000000, 0.0004422600000000, -0.0010938800000000 ] - [ -0.0027854600000000, 0.0032793400000000, -0.0093538400000000 ] - [ -0.0000205600000000, 0.0004408300000000, -0.0010162100000000 ] - [ 0.0001135800000000, -0.0001125100000000, -0.0005864000000000 ] - [ 0.0006061500000000, 0.0002959100000000, 0.0018449700000000 ] - [ 0.0006138500000000, 0.0002870600000000, 0.0061791400000000 ] - [ 0.0006072300000000, 0.0002957700000000, 0.0007852900000000 ] - [ 0.0006185000000000, 0.0002680100000000, 0.0012349700000000 ]- atom: 41 displacement: [ 0.0100000000000000, 0.0000000000296212, 0.0000000000000000 ] forces: - [ 0.0096714400000000, -0.0049773100000000, -0.0033705400000000 ] - [ -0.0035500700000000, 0.0000851700000000, 0.0003047300000000 ] - [ -0.0016677100000000, 0.0035459300000000, -0.0014857200000000 ] - [ -0.0022668400000000, -0.0078602200000000, 0.0036718100000000 ] - [ 0.0096714400000000, -0.0049773100000000, 0.0033705400000000 ] - [ -0.0035500700000000, 0.0000851700000000, -0.0003047300000000 ] - [ -0.0016677100000000, 0.0035459300000000, 0.0014857200000000 ] - [ -0.0022668400000000, -0.0078602200000000, -0.0036718100000000 ] - [ -0.0080541000000000, 0.0002436700000000, 0.0054072700000000 ] - [ -0.0034983800000000, 0.0071376200000000, -0.0065413200000000 ] - [ -0.0012466600000000, -0.0013291400000000, 0.0001529000000000 ] - [ 0.0019850200000000, -0.0000689400000000, 0.0003062200000000 ] - [ -0.0080541000000000, 0.0002436700000000, -0.0054072700000000 ] - [ -0.0034983800000000, 0.0071376200000000, 0.0065413200000000 ] - [ -0.0012466600000000, -0.0013291400000000, -0.0001529000000000 ] - [ 0.0019850200000000, -0.0000689400000000, -0.0003062200000000 ] - [ 0.0033755900000000, 0.0005505200000000, 0.0000000000000000 ] - [ -0.0029231100000000, 0.0013563500000000, 0.0000000000000000 ] - [ 0.0000346700000000, 0.0012425600000000, 0.0000000000000000 ] - [ 0.0002210500000000, -0.0022736800000000, 0.0000000000000000 ] - [ -0.0010311500000000, -0.0029448200000000, 0.0000000000000000 ] - [ 0.0000996200000000, 0.0012055300000000, 0.0000000000000000 ] - [ -0.0023414800000000, 0.0003805700000000, 0.0000000000000000 ] - [ 0.0024305400000000, 0.0002179400000000, 0.0000000000000000 ] - [ -0.0055367800000000, 0.0005041400000000, 0.0000000000000000 ] - [ 0.1156925900000000, 0.0879594600000000, 0.0000000000000000 ] - [ 0.0003872600000000, -0.0034010900000000, 0.0000000000000000 ] - [ -0.0009319600000000, 0.0018806400000000, 0.0000000000000000 ] - [ 0.0014961000000000, 0.0008871100000000, 0.0000000000000000 ] - [ -0.0006573200000000, -0.0017904300000000, 0.0000000000000000 ] - [ 0.0029341900000000, 0.0009744100000000, 0.0000000000000000 ] - [ -0.0033521100000000, 0.0000802200000000, 0.0000000000000000 ] - [ 0.2079388300000000, -0.0027769500000000, 0.0000000000000000 ] - [ -0.0046334300000000, 0.0011982400000000, 0.0000000000000000 ] - [ 0.0001479600000000, 0.0016928200000000, 0.0000000000000000 ] - [ -0.0006791600000000, -0.0026844900000000, 0.0000000000000000 ] - [ -0.0025982000000000, -0.0032443200000000, 0.0000000000000000 ] - [ -0.0012618600000000, 0.0046036300000000, 0.0000000000000000 ] - [ -0.0033685900000000, -0.0015430000000000, 0.0000000000000000 ] - [ 0.0185240000000000, 0.0116359800000000, 0.0000000000000000 ] - [ -0.4287730700000000, -0.1171265900000000, 0.0000000000000000 ] - [ 0.0027217500000000, 0.0001684100000000, 0.0000000000000000 ] - [ -0.0005731800000000, -0.0011297200000000, 0.0000000000000000 ] - [ 0.0002366600000000, 0.0013915600000000, 0.0000000000000000 ] - [ -0.0030898000000000, -0.0012461300000000, -0.0000052300000000 ] - [ 0.0026759600000000, 0.0004687400000000, 0.0006198400000000 ] - [ -0.0005469200000000, -0.0007764900000000, 0.0005132700000000 ] - [ 0.0011387900000000, 0.0018540600000000, -0.0010822400000000 ] - [ -0.0030898000000000, -0.0012461300000000, 0.0000052300000000 ] - [ 0.0026759600000000, 0.0004687400000000, -0.0006198400000000 ] - [ -0.0005469200000000, -0.0007764900000000, -0.0005132700000000 ] - [ 0.0011387900000000, 0.0018540600000000, 0.0010822400000000 ] - [ -0.0005252300000000, 0.0016799400000000, -0.0015170000000000 ] - [ 0.0014831200000000, -0.0013581200000000, 0.0002078300000000 ] - [ 0.0011043900000000, -0.0003731400000000, -0.0005066800000000 ] - [ -0.0018344000000000, 0.0006995500000000, 0.0008699500000000 ] - [ -0.0005252300000000, 0.0016799400000000, 0.0015170000000000 ] - [ 0.0014831200000000, -0.0013581200000000, -0.0002078300000000 ] - [ 0.0011043900000000, -0.0003731400000000, 0.0005066800000000 ] - [ -0.0018344000000000, 0.0006995500000000, -0.0008699500000000 ] - [ 0.0009379200000000, 0.0024778300000000, 0.0000000000000000 ] - [ 0.0018885300000000, -0.0018125000000000, 0.0000000000000000 ] - [ 0.0034492400000000, -0.0014697900000000, 0.0000000000000000 ] - [ -0.0107207900000000, 0.0097457600000000, 0.0000000000000000 ] - [ 0.0011127700000000, -0.0012413700000000, 0.0000000000000000 ] - [ -0.0014518700000000, -0.0012393500000000, 0.0000000000000000 ] - [ 0.0001629300000000, 0.0018350300000000, 0.0000000000000000 ] - [ -0.0001286500000000, -0.0017944000000000, 0.0000000000000000 ] - [ -0.0007196500000000, 0.0008010900000000, 0.0007473200000000 ] - [ 0.0004079400000000, 0.0003325300000000, -0.0000167300000000 ] - [ -0.0004492200000000, -0.0015614300000000, 0.0010807400000000 ] - [ 0.0016487300000000, 0.0002893300000000, -0.0017307200000000 ] - [ -0.0007196500000000, 0.0008010900000000, -0.0007473200000000 ] - [ 0.0004079400000000, 0.0003325300000000, 0.0000167300000000 ] - [ -0.0004492200000000, -0.0015614300000000, -0.0010807400000000 ] - [ 0.0016487300000000, 0.0002893300000000, 0.0017307200000000 ] - [ 0.0025393900000000, -0.0013111700000000, 0.0003200100000000 ] - [ 0.0199272400000000, 0.0147428400000000, 0.0172903700000000 ] - [ -0.0004008300000000, 0.0013933300000000, -0.0001044800000000 ] - [ 0.0002784000000000, -0.0003056400000000, 0.0003006600000000 ] - [ 0.0025393900000000, -0.0013111700000000, -0.0003200100000000 ] - [ 0.0199272400000000, 0.0147428400000000, -0.0172903700000000 ] - [ -0.0004008300000000, 0.0013933300000000, 0.0001044800000000 ] - [ 0.0002784000000000, -0.0003056400000000, -0.0003006600000000 ] - [ -0.0005832000000000, -0.0015986300000000, 0.0000000000000000 ] - [ 0.0007559800000000, 0.0030278000000000, 0.0000000000000000 ] - [ 0.0139562800000000, -0.0239663800000000, 0.0000000000000000 ] - [ 0.0030380500000000, 0.0011453600000000, 0.0000000000000000 ] - [ -0.0027459500000000, 0.0004952100000000, 0.0000000000000000 ] - [ 0.0020141700000000, -0.0007667800000000, 0.0000000000000000 ] - [ -0.0007929200000000, 0.0001379900000000, 0.0000000000000000 ] - [ -0.0007752100000000, 0.0014207100000000, 0.0000000000000000 ] - [ 0.0258128800000000, 0.0108946500000000, -0.0201547800000000 ] - [ 0.0026399100000000, -0.0011331500000000, 0.0000382700000000 ] - [ 0.0004472300000000, -0.0006672200000000, 0.0003861400000000 ] - [ -0.0008606500000000, 0.0018833300000000, -0.0001110100000000 ] - [ 0.0258128800000000, 0.0108946500000000, 0.0201547800000000 ] - [ 0.0026399100000000, -0.0011331500000000, -0.0000382700000000 ] - [ 0.0004472300000000, -0.0006672200000000, -0.0003861400000000 ] - [ -0.0008606500000000, 0.0018833300000000, 0.0001110100000000 ] - [ 0.0026634000000000, 0.0015733600000000, 0.0003605700000000 ] - [ 0.0002252300000000, -0.0059423100000000, 0.0027168000000000 ] - [ 0.0018335700000000, 0.0010106800000000, 0.0001336300000000 ] - [ -0.0030194500000000, -0.0030805100000000, -0.0012839100000000 ] - [ 0.0026634000000000, 0.0015733600000000, -0.0003605700000000 ] - [ 0.0002252300000000, -0.0059423100000000, -0.0027168000000000 ] - [ 0.0018335700000000, 0.0010106800000000, -0.0001336300000000 ] - [ -0.0030194500000000, -0.0030805100000000, 0.0012839100000000 ] - [ 0.0017605100000000, 0.0015373000000000, 0.0000000000000000 ] - [ -0.0000526600000000, -0.0004797700000000, 0.0000000000000000 ] - [ 0.0028653100000000, 0.0008640600000000, 0.0000000000000000 ] - [ -0.0017753200000000, -0.0006228900000000, 0.0000000000000000 ]- atom: 41 displacement: [ -0.0100000000000000, -0.0000000000296212, 0.0000000000000000 ] forces: - [ -0.0096133600000000, 0.0049946100000000, 0.0038046200000000 ] - [ 0.0035408200000000, -0.0000927600000000, 0.0001144100000000 ] - [ 0.0016750100000000, -0.0035329200000000, 0.0019027500000000 ] - [ 0.0022538700000000, 0.0078662000000000, -0.0032471000000000 ] - [ -0.0096133600000000, 0.0049946100000000, -0.0038046200000000 ] - [ 0.0035408200000000, -0.0000927600000000, -0.0001144100000000 ] - [ 0.0016750100000000, -0.0035329200000000, -0.0019027500000000 ] - [ 0.0022538700000000, 0.0078662000000000, 0.0032471000000000 ] - [ 0.0080221200000000, -0.0002373300000000, -0.0049698200000000 ] - [ 0.0034842400000000, -0.0071541200000000, 0.0069599000000000 ] - [ 0.0012483200000000, 0.0013332100000000, 0.0002652000000000 ] - [ -0.0019832500000000, 0.0000570800000000, 0.0001026300000000 ] - [ 0.0080221200000000, -0.0002373300000000, 0.0049698200000000 ] - [ 0.0034842400000000, -0.0071541200000000, -0.0069599000000000 ] - [ 0.0012483200000000, 0.0013332100000000, -0.0002652000000000 ] - [ -0.0019832500000000, 0.0000570800000000, -0.0001026300000000 ] - [ -0.0033792000000000, -0.0001426500000000, 0.0000000000000000 ] - [ 0.0029006400000000, -0.0009362200000000, 0.0000000000000000 ] - [ -0.0000510300000000, -0.0008256600000000, 0.0000000000000000 ] - [ -0.0002385700000000, 0.0026868100000000, 0.0000000000000000 ] - [ 0.0006874500000000, 0.0027138500000000, 0.0000000000000000 ] - [ -0.0004467600000000, -0.0014308600000000, 0.0000000000000000 ] - [ 0.0019959700000000, -0.0005993700000000, 0.0000000000000000 ] - [ -0.0027712500000000, -0.0004434300000000, 0.0000000000000000 ] - [ 0.0051566000000000, -0.0003149400000000, 0.0000000000000000 ] - [ -0.1203432000000000, -0.0936152200000000, 0.0000000000000000 ] - [ -0.0007514300000000, 0.0035788600000000, 0.0000000000000000 ] - [ 0.0005581400000000, -0.0016897300000000, 0.0000000000000000 ] - [ -0.0011238200000000, -0.0010732500000000, 0.0000000000000000 ] - [ 0.0010234600000000, 0.0015962800000000, 0.0000000000000000 ] - [ -0.0025514300000000, -0.0011603500000000, 0.0000000000000000 ] - [ 0.0037197900000000, -0.0002665000000000, 0.0000000000000000 ] - [ -0.1929714300000000, 0.0028633300000000, 0.0000000000000000 ] - [ 0.0049741400000000, -0.0009745000000000, 0.0000000000000000 ] - [ 0.0001984500000000, -0.0014622500000000, 0.0000000000000000 ] - [ 0.0010135700000000, 0.0028904200000000, 0.0000000000000000 ] - [ 0.0026070900000000, 0.0028123600000000, 0.0000000000000000 ] - [ 0.0012621900000000, -0.0050041200000000, 0.0000000000000000 ] - [ 0.0033808000000000, 0.0011267800000000, 0.0000000000000000 ] - [ -0.0183319600000000, -0.0120686600000000, 0.0000000000000000 ] - [ 0.4163793000000000, 0.1226769300000000, 0.0000000000000000 ] - [ -0.0039258300000000, -0.0007670100000000, 0.0000000000000000 ] - [ -0.0006393700000000, 0.0005299600000000, 0.0000000000000000 ] - [ -0.0014436300000000, -0.0019856700000000, 0.0000000000000000 ] - [ 0.0029754000000000, 0.0012741200000000, 0.0002388900000000 ] - [ -0.0027780900000000, -0.0004375500000000, -0.0003743400000000 ] - [ 0.0004327100000000, 0.0008036900000000, -0.0002701000000000 ] - [ -0.0012509000000000, -0.0018235200000000, 0.0013238100000000 ] - [ 0.0029754000000000, 0.0012741200000000, -0.0002388900000000 ] - [ -0.0027780900000000, -0.0004375500000000, 0.0003743400000000 ] - [ 0.0004327100000000, 0.0008036900000000, 0.0002701000000000 ] - [ -0.0012509000000000, -0.0018235200000000, -0.0013238100000000 ] - [ 0.0005467800000000, -0.0017843300000000, 0.0012710700000000 ] - [ -0.0014498100000000, 0.0012465200000000, -0.0004516900000000 ] - [ -0.0010742500000000, 0.0002586500000000, 0.0002641200000000 ] - [ 0.0018672600000000, -0.0008110800000000, -0.0011126900000000 ] - [ 0.0005467800000000, -0.0017843300000000, -0.0012710700000000 ] - [ -0.0014498100000000, 0.0012465200000000, 0.0004516900000000 ] - [ -0.0010742500000000, 0.0002586500000000, -0.0002641200000000 ] - [ 0.0018672600000000, -0.0008110800000000, 0.0011126900000000 ] - [ 0.0001890100000000, -0.0032238100000000, 0.0000000000000000 ] - [ -0.0007524100000000, 0.0010531300000000, 0.0000000000000000 ] - [ -0.0023168000000000, 0.0007107300000000, 0.0000000000000000 ] - [ 0.0118805000000000, -0.0102625300000000, 0.0000000000000000 ] - [ -0.0012022300000000, -0.0001160800000000, 0.0000000000000000 ] - [ 0.0013593200000000, -0.0001142300000000, 0.0000000000000000 ] - [ -0.0002564100000000, -0.0031845600000000, 0.0000000000000000 ] - [ 0.0000366400000000, 0.0004396900000000, 0.0000000000000000 ] - [ 0.0008018900000000, -0.0007219500000000, -0.0005047000000000 ] - [ -0.0003240500000000, -0.0002471600000000, 0.0002589100000000 ] - [ 0.0005268100000000, 0.0016339500000000, -0.0008345500000000 ] - [ -0.0015656400000000, -0.0002072300000000, 0.0019741600000000 ] - [ 0.0008018900000000, -0.0007219500000000, 0.0005047000000000 ] - [ -0.0003240500000000, -0.0002471600000000, -0.0002589100000000 ] - [ 0.0005268100000000, 0.0016339500000000, 0.0008345500000000 ] - [ -0.0015656400000000, -0.0002072300000000, -0.0019741600000000 ] - [ -0.0026187100000000, 0.0012216400000000, -0.0000739900000000 ] - [ -0.0201570500000000, -0.0150448100000000, -0.0172565600000000 ] - [ 0.0003161400000000, -0.0014750300000000, 0.0003460900000000 ] - [ -0.0003579100000000, 0.0002261400000000, -0.0000553300000000 ] - [ -0.0026187100000000, 0.0012216400000000, 0.0000739900000000 ] - [ -0.0201570500000000, -0.0150448100000000, 0.0172565600000000 ] - [ 0.0003161400000000, -0.0014750300000000, -0.0003460900000000 ] - [ -0.0003579100000000, 0.0002261400000000, 0.0000553300000000 ] - [ 0.0006748100000000, 0.0029441000000000, 0.0000000000000000 ] - [ -0.0006618000000000, -0.0016630400000000, 0.0000000000000000 ] - [ -0.0136944000000000, 0.0250578700000000, 0.0000000000000000 ] - [ -0.0029420400000000, 0.0002100200000000, 0.0000000000000000 ] - [ 0.0016100700000000, 0.0002594700000000, 0.0000000000000000 ] - [ -0.0031391000000000, 0.0015201000000000, 0.0000000000000000 ] - [ -0.0003344800000000, 0.0006151800000000, 0.0000000000000000 ] - [ -0.0003507900000000, -0.0006637200000000, 0.0000000000000000 ] - [ -0.0254867000000000, -0.0106450200000000, 0.0200791900000000 ] - [ -0.0026665900000000, 0.0012449300000000, 0.0002053200000000 ] - [ -0.0004771500000000, 0.0007757100000000, -0.0001418500000000 ] - [ 0.0008374400000000, -0.0017617500000000, 0.0003607300000000 ] - [ -0.0254867000000000, -0.0106450200000000, -0.0200791900000000 ] - [ -0.0026665900000000, 0.0012449300000000, -0.0002053200000000 ] - [ -0.0004771500000000, 0.0007757100000000, 0.0001418500000000 ] - [ 0.0008374400000000, -0.0017617500000000, -0.0003607300000000 ] - [ -0.0025428100000000, -0.0015953300000000, -0.0001136800000000 ] - [ -0.0000856200000000, 0.0059310600000000, -0.0024788400000000 ] - [ -0.0017207700000000, -0.0010414000000000, 0.0001088400000000 ] - [ 0.0031047800000000, 0.0030501800000000, 0.0015337200000000 ] - [ -0.0025428100000000, -0.0015953300000000, 0.0001136800000000 ] - [ -0.0000856200000000, 0.0059310600000000, 0.0024788400000000 ] - [ -0.0017207700000000, -0.0010414000000000, -0.0001088400000000 ] - [ 0.0031047800000000, 0.0030501800000000, -0.0015337200000000 ] - [ -0.0005454100000000, -0.0009346300000000, 0.0000000000000000 ] - [ 0.0012659000000000, 0.0010766000000000, 0.0000000000000000 ] - [ -0.0016522300000000, -0.0002678200000000, 0.0000000000000000 ] - [ 0.0029813400000000, 0.0012195500000000, 0.0000000000000000 ]- atom: 41 displacement: [ -0.0050000000321553, 0.0086602540192795, 0.0000000000000000 ] forces: - [ -0.0052858500000000, -0.0037215600000000, -0.0050017300000000 ] - [ 0.0013156600000000, -0.0005717900000000, 0.0001395300000000 ] - [ 0.0028975400000000, -0.0015531700000000, 0.0023903400000000 ] - [ -0.0017810800000000, 0.0013789500000000, 0.0010215400000000 ] - [ -0.0052858500000000, -0.0037215600000000, 0.0050017300000000 ] - [ 0.0013156600000000, -0.0005717900000000, -0.0001395300000000 ] - [ 0.0028975400000000, -0.0015531700000000, -0.0023903400000000 ] - [ -0.0017810800000000, 0.0013789500000000, -0.0010215400000000 ] - [ 0.0005423700000000, 0.0013606500000000, -0.0011377900000000 ] - [ 0.0029439800000000, 0.0021362300000000, 0.0029421100000000 ] - [ 0.0001261400000000, -0.0010916200000000, 0.0002356900000000 ] - [ -0.0005793600000000, -0.0022791500000000, -0.0013988300000000 ] - [ 0.0005423700000000, 0.0013606500000000, 0.0011377900000000 ] - [ 0.0029439800000000, 0.0021362300000000, -0.0029421100000000 ] - [ 0.0001261400000000, -0.0010916200000000, -0.0002356900000000 ] - [ -0.0005793600000000, -0.0022791500000000, 0.0013988300000000 ] - [ -0.0013674500000000, 0.0021528900000000, 0.0000000000000000 ] - [ 0.0006957400000000, 0.0003689900000000, 0.0000000000000000 ] - [ 0.0008306000000000, -0.0011686500000000, 0.0000000000000000 ] - [ -0.0005641000000000, 0.0000536200000000, 0.0000000000000000 ] - [ -0.0006965400000000, -0.0004430100000000, 0.0000000000000000 ] - [ 0.0004731100000000, -0.0010964000000000, 0.0000000000000000 ] - [ 0.0004303300000000, 0.0000930500000000, 0.0000000000000000 ] - [ -0.0008060800000000, 0.0010771400000000, 0.0000000000000000 ] - [ 0.0020909400000000, 0.0004140600000000, 0.0000000000000000 ] - [ 0.0191490900000000, 0.0686292600000000, 0.0000000000000000 ] - [ -0.0016474700000000, -0.0001437800000000, 0.0000000000000000 ] - [ 0.0014109700000000, -0.0024619300000000, 0.0000000000000000 ] - [ 0.0007511900000000, -0.0009954500000000, 0.0000000000000000 ] - [ -0.0001445300000000, -0.0003195200000000, 0.0000000000000000 ] - [ -0.0006795100000000, 0.0007555500000000, 0.0000000000000000 ] - [ 0.0008303600000000, 0.0001511300000000, 0.0000000000000000 ] - [ -0.1025472300000000, 0.0322021900000000, 0.0000000000000000 ] - [ 0.0015704900000000, 0.0009891200000000, 0.0000000000000000 ] - [ 0.0010830400000000, -0.0025844100000000, 0.0000000000000000 ] - [ -0.0009953300000000, -0.0013799000000000, 0.0000000000000000 ] - [ -0.0003769000000000, -0.0001293900000000, 0.0000000000000000 ] - [ 0.0036224100000000, -0.0060186300000000, 0.0000000000000000 ] - [ 0.0008502000000000, -0.0001002400000000, 0.0000000000000000 ] - [ 0.0030227200000000, -0.0133181400000000, 0.0000000000000000 ] - [ 0.1054414600000000, -0.1014641700000000, 0.0000000000000000 ] - [ -0.0018683400000000, -0.0008171400000000, 0.0000000000000000 ] - [ -0.0013486800000000, 0.0009435200000000, 0.0000000000000000 ] - [ 0.0004277900000000, 0.0001034200000000, 0.0000000000000000 ] - [ 0.0003863600000000, -0.0006827900000000, 0.0011995400000000 ] - [ -0.0004177200000000, -0.0001279300000000, 0.0000815500000000 ] - [ -0.0003336000000000, 0.0006808400000000, -0.0004900400000000 ] - [ 0.0001060700000000, 0.0000103800000000, 0.0001918600000000 ] - [ 0.0003863600000000, -0.0006827900000000, -0.0011995400000000 ] - [ -0.0004177200000000, -0.0001279300000000, -0.0000815500000000 ] - [ -0.0003336000000000, 0.0006808400000000, 0.0004900400000000 ] - [ 0.0001060700000000, 0.0000103800000000, -0.0001918600000000 ] - [ 0.0011984300000000, -0.0004760900000000, -0.0004926600000000 ] - [ -0.0007739700000000, 0.0003923800000000, -0.0003011900000000 ] - [ -0.0007708100000000, 0.0002147100000000, 0.0002272800000000 ] - [ 0.0006474300000000, -0.0004423800000000, 0.0001272400000000 ] - [ 0.0011984300000000, -0.0004760900000000, 0.0004926600000000 ] - [ -0.0007739700000000, 0.0003923800000000, 0.0003011900000000 ] - [ -0.0007708100000000, 0.0002147100000000, -0.0002272800000000 ] - [ 0.0006474300000000, -0.0004423800000000, -0.0001272400000000 ] - [ 0.0011724200000000, -0.0007661300000000, 0.0000000000000000 ] - [ -0.0020328100000000, 0.0015703300000000, 0.0000000000000000 ] - [ -0.0002791200000000, -0.0000572800000000, 0.0000000000000000 ] - [ 0.0075012100000000, 0.0194573000000000, 0.0000000000000000 ] - [ -0.0003919200000000, -0.0008556500000000, 0.0000000000000000 ] - [ 0.0002207700000000, -0.0019817100000000, 0.0000000000000000 ] - [ 0.0002227500000000, -0.0004968300000000, 0.0000000000000000 ] - [ -0.0002930500000000, 0.0003733500000000, 0.0000000000000000 ] - [ -0.0000906400000000, 0.0010060400000000, 0.0006361100000000 ] - [ 0.0000780400000000, 0.0006637600000000, 0.0000453100000000 ] - [ 0.0000856700000000, -0.0004110000000000, -0.0004229500000000 ] - [ -0.0002389800000000, -0.0007973000000000, 0.0003417300000000 ] - [ -0.0000906400000000, 0.0010060400000000, -0.0006361100000000 ] - [ 0.0000780400000000, 0.0006637600000000, -0.0000453100000000 ] - [ 0.0000856700000000, -0.0004110000000000, 0.0004229500000000 ] - [ -0.0002389800000000, -0.0007973000000000, -0.0003417300000000 ] - [ -0.0013232900000000, -0.0007839900000000, 0.0007091500000000 ] - [ -0.0010754200000000, -0.0087692900000000, -0.0026356200000000 ] - [ 0.0005547300000000, 0.0007489700000000, 0.0002983500000000 ] - [ -0.0006378700000000, 0.0011048500000000, -0.0002628100000000 ] - [ -0.0013232900000000, -0.0007839900000000, -0.0007091500000000 ] - [ -0.0010754200000000, -0.0087692900000000, 0.0026356200000000 ] - [ 0.0005547300000000, 0.0007489700000000, -0.0002983500000000 ] - [ -0.0006378700000000, 0.0011048500000000, 0.0002628100000000 ] - [ 0.0000783600000000, 0.0037383500000000, 0.0000000000000000 ] - [ 0.0001919500000000, 0.0011752500000000, 0.0000000000000000 ] - [ -0.0205374000000000, 0.0160222700000000, 0.0000000000000000 ] - [ -0.0003362400000000, 0.0002416500000000, 0.0000000000000000 ] - [ 0.0005635100000000, -0.0005836000000000, 0.0000000000000000 ] - [ -0.0010477000000000, 0.0003472700000000, 0.0000000000000000 ] - [ -0.0013836500000000, 0.0012490600000000, 0.0000000000000000 ] - [ -0.0002436200000000, 0.0004772300000000, 0.0000000000000000 ] - [ 0.0023370100000000, -0.0072804100000000, 0.0009920700000000 ] - [ -0.0011342800000000, -0.0001210000000000, 0.0003188600000000 ] - [ -0.0005459800000000, 0.0010808800000000, -0.0001753700000000 ] - [ 0.0008993500000000, 0.0009869200000000, 0.0007322700000000 ] - [ 0.0023370100000000, -0.0072804100000000, -0.0009920700000000 ] - [ -0.0011342800000000, -0.0001210000000000, -0.0003188600000000 ] - [ -0.0005459800000000, 0.0010808800000000, 0.0001753700000000 ] - [ 0.0008993500000000, 0.0009869200000000, -0.0007322700000000 ] - [ -0.0002142100000000, -0.0002003400000000, 0.0001826300000000 ] - [ -0.0057606600000000, 0.0053665700000000, -0.0042885400000000 ] - [ -0.0000026700000000, 0.0000597600000000, 0.0002235800000000 ] - [ -0.0008544600000000, 0.0038152600000000, 0.0034848400000000 ] - [ -0.0002142100000000, -0.0002003400000000, -0.0001826300000000 ] - [ -0.0057606600000000, 0.0053665700000000, 0.0042885400000000 ] - [ -0.0000026700000000, 0.0000597600000000, -0.0002235800000000 ] - [ -0.0008544600000000, 0.0038152600000000, -0.0034848400000000 ] - [ 0.0011080400000000, 0.0004872300000000, 0.0000000000000000 ] - [ 0.0002692800000000, 0.0006703100000000, 0.0000000000000000 ] - [ -0.0000212000000000, 0.0000289800000000, 0.0000000000000000 ] - [ 0.0010043500000000, 0.0000147500000000, 0.0000000000000000 ]- atom: 41 displacement: [ 0.0050000000321553, -0.0086602540192795, 0.0000000000000000 ] forces: - [ 0.0052623800000000, 0.0037232500000000, 0.0053503900000000 ] - [ -0.0013116000000000, 0.0005770200000000, 0.0002354600000000 ] - [ -0.0029115600000000, 0.0015564200000000, -0.0020359400000000 ] - [ 0.0017820900000000, -0.0014155100000000, -0.0006354400000000 ] - [ 0.0052623800000000, 0.0037232500000000, -0.0053503900000000 ] - [ -0.0013116000000000, 0.0005770200000000, -0.0002354600000000 ] - [ -0.0029115600000000, 0.0015564200000000, 0.0020359400000000 ] - [ 0.0017820900000000, -0.0014155100000000, 0.0006354400000000 ] - [ -0.0005278300000000, -0.0013695200000000, 0.0015094900000000 ] - [ -0.0029475000000000, -0.0020848200000000, -0.0025784300000000 ] - [ -0.0001355100000000, 0.0010852200000000, 0.0001430500000000 ] - [ 0.0005901700000000, 0.0022840400000000, 0.0017834600000000 ] - [ -0.0005278300000000, -0.0013695200000000, -0.0015094900000000 ] - [ -0.0029475000000000, -0.0020848200000000, 0.0025784300000000 ] - [ -0.0001355100000000, 0.0010852200000000, -0.0001430500000000 ] - [ 0.0005901700000000, 0.0022840400000000, -0.0017834600000000 ] - [ 0.0013434100000000, -0.0017208200000000, 0.0000000000000000 ] - [ -0.0007253200000000, 0.0000591000000000, 0.0000000000000000 ] - [ -0.0008562600000000, 0.0016015200000000, 0.0000000000000000 ] - [ 0.0005398300000000, 0.0003706500000000, 0.0000000000000000 ] - [ 0.0003464600000000, 0.0002039100000000, 0.0000000000000000 ] - [ -0.0008181400000000, 0.0008604100000000, 0.0000000000000000 ] - [ -0.0007853300000000, -0.0003374700000000, 0.0000000000000000 ] - [ 0.0004631900000000, -0.0013185400000000, 0.0000000000000000 ] - [ -0.0024911800000000, -0.0002335700000000, 0.0000000000000000 ] - [ -0.0199998000000000, -0.0678801300000000, 0.0000000000000000 ] - [ 0.0012540300000000, 0.0003281500000000, 0.0000000000000000 ] - [ -0.0017905000000000, 0.0026475700000000, 0.0000000000000000 ] - [ -0.0003626200000000, 0.0008113600000000, 0.0000000000000000 ] - [ 0.0005343600000000, 0.0001333400000000, 0.0000000000000000 ] - [ 0.0010706400000000, -0.0009448800000000, 0.0000000000000000 ] - [ -0.0004541300000000, -0.0003376500000000, 0.0000000000000000 ] - [ 0.1058100200000000, -0.0309955400000000, 0.0000000000000000 ] - [ -0.0012316400000000, -0.0007405400000000, 0.0000000000000000 ] - [ -0.0007356200000000, 0.0028179000000000, 0.0000000000000000 ] - [ 0.0013478100000000, 0.0016218500000000, 0.0000000000000000 ] - [ 0.0004044000000000, -0.0002945300000000, 0.0000000000000000 ] - [ -0.0035886300000000, 0.0055852000000000, 0.0000000000000000 ] - [ -0.0008351100000000, -0.0003382000000000, 0.0000000000000000 ] - [ -0.0029286400000000, 0.0129343100000000, 0.0000000000000000 ] - [ -0.1093864300000000, 0.0998692500000000, 0.0000000000000000 ] - [ 0.0006610700000000, 0.0002347800000000, 0.0000000000000000 ] - [ 0.0001345100000000, -0.0015287100000000, 0.0000000000000000 ] - [ -0.0016415400000000, -0.0006877200000000, 0.0000000000000000 ] - [ -0.0004893100000000, 0.0006913100000000, -0.0009266300000000 ] - [ 0.0003172400000000, 0.0001425100000000, 0.0001909400000000 ] - [ 0.0002344900000000, -0.0006671200000000, 0.0007655400000000 ] - [ -0.0002001900000000, 0.0000106900000000, 0.0000772100000000 ] - [ -0.0004893100000000, 0.0006913100000000, 0.0009266300000000 ] - [ 0.0003172400000000, 0.0001425100000000, -0.0001909400000000 ] - [ 0.0002344900000000, -0.0006671200000000, -0.0007655400000000 ] - [ -0.0002001900000000, 0.0000106900000000, -0.0000772100000000 ] - [ -0.0011585900000000, 0.0003774500000000, 0.0002200700000000 ] - [ 0.0008092500000000, -0.0004922300000000, 0.0000294500000000 ] - [ 0.0008108800000000, -0.0003077300000000, -0.0005032800000000 ] - [ -0.0006201700000000, 0.0003517100000000, -0.0003969400000000 ] - [ -0.0011585900000000, 0.0003774500000000, -0.0002200700000000 ] - [ 0.0008092500000000, -0.0004922300000000, -0.0000294500000000 ] - [ 0.0008108800000000, -0.0003077300000000, 0.0005032800000000 ] - [ -0.0006201700000000, 0.0003517100000000, 0.0003969400000000 ] - [ -0.0000516500000000, -0.0000039800000000, 0.0000000000000000 ] - [ 0.0031405100000000, -0.0023323100000000, 0.0000000000000000 ] - [ 0.0014044200000000, -0.0007074900000000, 0.0000000000000000 ] - [ -0.0065365200000000, -0.0205612700000000, 0.0000000000000000 ] - [ 0.0002871900000000, -0.0004907400000000, 0.0000000000000000 ] - [ -0.0003295800000000, 0.0006312100000000, 0.0000000000000000 ] - [ -0.0003269100000000, -0.0008512900000000, 0.0000000000000000 ] - [ 0.0001863900000000, -0.0017276800000000, 0.0000000000000000 ] - [ 0.0001544200000000, -0.0009256200000000, -0.0003608200000000 ] - [ -0.0000151700000000, -0.0005901400000000, 0.0002279700000000 ] - [ -0.0000221900000000, 0.0004939000000000, 0.0006985700000000 ] - [ 0.0003084500000000, 0.0008733100000000, -0.0000767100000000 ] - [ 0.0001544200000000, -0.0009256200000000, 0.0003608200000000 ] - [ -0.0000151700000000, -0.0005901400000000, -0.0002279700000000 ] - [ -0.0000221900000000, 0.0004939000000000, -0.0006985700000000 ] - [ 0.0003084500000000, 0.0008733100000000, 0.0000767100000000 ] - [ 0.0012669000000000, 0.0007169600000000, -0.0004432200000000 ] - [ 0.0011082700000000, 0.0087164500000000, 0.0029376500000000 ] - [ -0.0006149900000000, -0.0008232600000000, -0.0000259500000000 ] - [ 0.0005706500000000, -0.0011847800000000, 0.0005325000000000 ] - [ 0.0012669000000000, 0.0007169600000000, 0.0004432200000000 ] - [ 0.0011082700000000, 0.0087164500000000, -0.0029376500000000 ] - [ -0.0006149900000000, -0.0008232600000000, 0.0000259500000000 ] - [ 0.0005706500000000, -0.0011847800000000, -0.0005325000000000 ] - [ 0.0000308300000000, -0.0023844600000000, 0.0000000000000000 ] - [ -0.0000862800000000, 0.0001709700000000, 0.0000000000000000 ] - [ 0.0211402600000000, -0.0150178500000000, 0.0000000000000000 ] - [ 0.0004564600000000, 0.0011082400000000, 0.0000000000000000 ] - [ -0.0016823600000000, 0.0013491100000000, 0.0000000000000000 ] - [ -0.0000642500000000, 0.0004150800000000, 0.0000000000000000 ] - [ 0.0002662400000000, -0.0004869100000000, 0.0000000000000000 ] - [ -0.0008748400000000, 0.0002873800000000, 0.0000000000000000 ] - [ -0.0024451500000000, 0.0073708700000000, -0.0007061800000000 ] - [ 0.0011045800000000, 0.0002076400000000, -0.0000466400000000 ] - [ 0.0005156100000000, -0.0009868300000000, 0.0004468200000000 ] - [ -0.0009400300000000, -0.0008932900000000, -0.0004635000000000 ] - [ -0.0024451500000000, 0.0073708700000000, 0.0007061800000000 ] - [ 0.0011045800000000, 0.0002076400000000, 0.0000466400000000 ] - [ 0.0005156100000000, -0.0009868300000000, -0.0004468200000000 ] - [ -0.0009400300000000, -0.0008932900000000, 0.0004635000000000 ] - [ 0.0003101400000000, 0.0001807300000000, 0.0000890600000000 ] - [ 0.0057711400000000, -0.0053173900000000, 0.0044904500000000 ] - [ 0.0001076600000000, -0.0000720600000000, 0.0000495900000000 ] - [ 0.0009459300000000, -0.0038540100000000, -0.0032333500000000 ] - [ 0.0003101400000000, 0.0001807300000000, -0.0000890600000000 ] - [ 0.0057711400000000, -0.0053173900000000, -0.0044904500000000 ] - [ 0.0001076600000000, -0.0000720600000000, -0.0000495900000000 ] - [ 0.0009459300000000, -0.0038540100000000, 0.0032333500000000 ] - [ 0.0001068600000000, 0.0000945900000000, 0.0000000000000000 ] - [ 0.0009435500000000, -0.0000906500000000, 0.0000000000000000 ] - [ 0.0012431600000000, 0.0005585100000000, 0.0000000000000000 ] - [ 0.0002067700000000, 0.0005682400000000, 0.0000000000000000 ]- atom: 41 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0002392500000000, -0.0072273000000000, -0.0033082600000000 ] - [ 0.0000161700000000, -0.0003947400000000, 0.0002263700000000 ] - [ -0.0001021800000000, 0.0004752600000000, 0.0003588200000000 ] - [ 0.0008685200000000, 0.0029957800000000, -0.0007806400000000 ] - [ 0.0002184000000000, 0.0071885400000000, -0.0036796900000000 ] - [ -0.0000133400000000, 0.0003923600000000, -0.0001538900000000 ] - [ 0.0001137000000000, -0.0004795400000000, -0.0000316500000000 ] - [ -0.0008748500000000, -0.0029977900000000, -0.0011705000000000 ] - [ 0.0039925000000000, -0.0005831800000000, -0.0021789500000000 ] - [ -0.0033808600000000, 0.0022925500000000, -0.0028908500000000 ] - [ -0.0001698000000000, 0.0003094600000000, 0.0001106400000000 ] - [ 0.0001718000000000, -0.0002408300000000, 0.0001602100000000 ] - [ -0.0039951500000000, 0.0005897800000000, -0.0025552800000000 ] - [ 0.0034028400000000, -0.0022811900000000, -0.0032701500000000 ] - [ 0.0001690500000000, -0.0003150400000000, -0.0002700600000000 ] - [ -0.0001739800000000, 0.0002336900000000, -0.0002118300000000 ] - [ -0.0000184300000000, 0.0002265300000000, -0.0045239600000000 ] - [ -0.0000145600000000, 0.0002193800000000, -0.0010842800000000 ] - [ -0.0000130600000000, 0.0002170500000000, -0.0002756700000000 ] - [ -0.0000157500000000, 0.0002179500000000, -0.0008555200000000 ] - [ -0.0001801300000000, -0.0001256000000000, -0.0023867900000000 ] - [ -0.0001754300000000, -0.0001245300000000, -0.0011445900000000 ] - [ -0.0001778300000000, -0.0001231100000000, -0.0003550200000000 ] - [ -0.0001776900000000, -0.0001174200000000, -0.0015147100000000 ] - [ -0.0001945500000000, 0.0000941900000000, 0.0012656600000000 ] - [ 0.0001208800000000, 0.0005037900000000, 0.0291618200000000 ] - [ -0.0002019600000000, 0.0000921900000000, 0.0011785400000000 ] - [ -0.0001957800000000, 0.0000895400000000, 0.0003208000000000 ] - [ 0.0002003200000000, -0.0000961400000000, -0.0015705100000000 ] - [ 0.0001968900000000, -0.0000944100000000, -0.0003824100000000 ] - [ 0.0001942400000000, -0.0000896400000000, -0.0016576900000000 ] - [ 0.0001984100000000, -0.0000931700000000, -0.0018227200000000 ] - [ -0.0002820900000000, 0.0001715900000000, 0.0297919000000000 ] - [ 0.0001794000000000, 0.0001252200000000, 0.0017182200000000 ] - [ 0.0001800700000000, 0.0001194900000000, 0.0003633400000000 ] - [ 0.0001748800000000, 0.0001189600000000, 0.0005508300000000 ] - [ 0.0000129800000000, -0.0002208300000000, 0.0018452900000000 ] - [ 0.0000174600000000, -0.0002236200000000, 0.0061796500000000 ] - [ 0.0000158500000000, -0.0002202200000000, 0.0007858300000000 ] - [ 0.0000278100000000, -0.0002424300000000, 0.0012352500000000 ] - [ -0.0004693000000000, -0.0007790500000000, -0.0497486300000000 ] - [ -0.0006097400000000, -0.0002928700000000, -0.0004147200000000 ] - [ -0.0006094300000000, -0.0002899700000000, -0.0001201200000000 ] - [ -0.0006051800000000, -0.0002905000000000, -0.0002647800000000 ] - [ -0.0001667100000000, -0.0000571900000000, 0.0032352600000000 ] - [ 0.0006575100000000, 0.0000690300000000, 0.0007279500000000 ] - [ -0.0000373100000000, -0.0000906900000000, 0.0003074000000000 ] - [ -0.0003519800000000, -0.0004760600000000, 0.0008800700000000 ] - [ 0.0000607700000000, 0.0000799700000000, 0.0029550400000000 ] - [ -0.0007602400000000, -0.0000494300000000, 0.0004606900000000 ] - [ -0.0000655700000000, 0.0001128000000000, 0.0000424400000000 ] - [ 0.0002522300000000, 0.0004984300000000, 0.0006136400000000 ] - [ -0.0006263800000000, -0.0006722100000000, 0.0017509500000000 ] - [ 0.0003712700000000, -0.0005839700000000, 0.0005352000000000 ] - [ -0.0000274500000000, -0.0000983400000000, 0.0000664000000000 ] - [ -0.0004234100000000, 0.0001758800000000, 0.0007041600000000 ] - [ 0.0006660400000000, 0.0005718600000000, 0.0020205900000000 ] - [ -0.0003416200000000, 0.0004856900000000, 0.0008026300000000 ] - [ 0.0000574300000000, 0.0000006600000000, 0.0003328900000000 ] - [ 0.0004550200000000, -0.0002788400000000, 0.0009682700000000 ] - [ 0.0005600700000000, -0.0003832100000000, -0.0009717900000000 ] - [ 0.0005544100000000, -0.0003801900000000, -0.0009745800000000 ] - [ 0.0005577000000000, -0.0003825400000000, -0.0003009500000000 ] - [ 0.0005656300000000, -0.0003500000000000, -0.0065548200000000 ] - [ -0.0000537900000000, -0.0006756000000000, 0.0002970500000000 ] - [ -0.0000545700000000, -0.0006806000000000, 0.0011023600000000 ] - [ -0.0000529800000000, -0.0006738700000000, 0.0004965300000000 ] - [ -0.0000545100000000, -0.0006738900000000, 0.0002007100000000 ] - [ -0.0004034500000000, 0.0009638100000000, 0.0013299400000000 ] - [ -0.0000602900000000, 0.0001548400000000, 0.0003801400000000 ] - [ -0.0000399300000000, -0.0006296000000000, 0.0009395600000000 ] - [ -0.0006233600000000, -0.0002363400000000, 0.0015896900000000 ] - [ 0.0004702800000000, -0.0008795200000000, 0.0010596200000000 ] - [ 0.0001300100000000, -0.0000749900000000, 0.0001134400000000 ] - [ 0.0001123100000000, 0.0007040800000000, 0.0006753400000000 ] - [ 0.0006922900000000, 0.0003104400000000, 0.0013238600000000 ] - [ -0.0005263300000000, 0.0006853300000000, -0.0006556900000000 ] - [ 0.0137669900000000, 0.0077983700000000, 0.0024211700000000 ] - [ -0.0003610400000000, -0.0007416400000000, -0.0005604400000000 ] - [ -0.0001346300000000, -0.0000676400000000, -0.0000838200000000 ] - [ 0.0004526500000000, -0.0007662500000000, -0.0009261700000000 ] - [ -0.0139411900000000, -0.0079416500000000, 0.0021700700000000 ] - [ 0.0002947000000000, 0.0006697900000000, -0.0008298300000000 ] - [ 0.0000636700000000, -0.0000063200000000, -0.0003503500000000 ] - [ 0.0000536600000000, 0.0006795100000000, -0.0009717800000000 ] - [ 0.0000543900000000, 0.0006770500000000, -0.0003008700000000 ] - [ 0.0000273200000000, 0.0006946500000000, -0.0065548000000000 ] - [ 0.0000534800000000, 0.0006747900000000, -0.0009744800000000 ] - [ -0.0005547100000000, 0.0003798300000000, 0.0011024300000000 ] - [ -0.0005588600000000, 0.0003827000000000, 0.0004965900000000 ] - [ -0.0005608600000000, 0.0003850200000000, 0.0002972000000000 ] - [ -0.0005582300000000, 0.0003833500000000, 0.0002007300000000 ] - [ -0.0198967600000000, -0.0065963800000000, 0.0042979000000000 ] - [ 0.0009072000000000, -0.0001090200000000, -0.0007131200000000 ] - [ 0.0000718900000000, 0.0001066800000000, -0.0000958200000000 ] - [ -0.0002687500000000, 0.0003037500000000, -0.0002930600000000 ] - [ 0.0200153400000000, 0.0067489500000000, 0.0040467400000000 ] - [ -0.0009424800000000, 0.0002065900000000, -0.0009823800000000 ] - [ -0.0001061200000000, -0.0000049700000000, -0.0003630200000000 ] - [ 0.0002398800000000, -0.0001992200000000, -0.0005638100000000 ] - [ -0.0006994200000000, -0.0007103400000000, -0.0006759100000000 ] - [ 0.0035679100000000, -0.0038013800000000, -0.0009155900000000 ] - [ 0.0004545600000000, -0.0000299100000000, -0.0003180600000000 ] - [ -0.0000095300000000, -0.0000437800000000, -0.0002487300000000 ] - [ 0.0008023400000000, 0.0006898300000000, -0.0009435800000000 ] - [ -0.0034942400000000, 0.0038061900000000, -0.0011896200000000 ] - [ -0.0003519800000000, 0.0000108100000000, -0.0005866600000000 ] - [ 0.0001052300000000, 0.0000378000000000, -0.0005327300000000 ] - [ 0.0006099700000000, 0.0002925100000000, 0.0004913800000000 ] - [ 0.0006060100000000, 0.0002927800000000, 0.0005731300000000 ] - [ 0.0006079500000000, 0.0002916800000000, 0.0003220800000000 ] - [ 0.0006087100000000, 0.0002899600000000, 0.0004719400000000 ]- atom: 45 displacement: [ 0.0100000000000000, 0.0000000000296212, 0.0000000000000000 ] forces: - [ 0.0162393800000000, 0.0049560200000000, -0.0071662900000000 ] - [ -0.0050685800000000, 0.0019747900000000, -0.0000625800000000 ] - [ -0.0005218100000000, 0.0018560900000000, 0.0008239000000000 ] - [ -0.0000322400000000, -0.0046862300000000, -0.0002060400000000 ] - [ 0.0027227600000000, -0.0006723500000000, -0.0012862200000000 ] - [ -0.0022670600000000, 0.0005862500000000, -0.0001623000000000 ] - [ -0.0006525200000000, 0.0017730900000000, -0.0009007300000000 ] - [ 0.0000040000000000, -0.0016263400000000, -0.0001249100000000 ] - [ -0.0031873300000000, -0.0004194900000000, -0.0015723500000000 ] - [ 0.0014787100000000, -0.0001263800000000, 0.0017303000000000 ] - [ 0.0000161600000000, -0.0009699300000000, 0.0002501000000000 ] - [ 0.0001862100000000, 0.0005864000000000, 0.0001489300000000 ] - [ -0.0068273000000000, 0.0012507400000000, 0.0014376200000000 ] - [ 0.0135667000000000, 0.0037613900000000, -0.0032993500000000 ] - [ 0.0000392300000000, -0.0028641400000000, -0.0006550300000000 ] - [ 0.0003122400000000, 0.0008205500000000, -0.0001126300000000 ] - [ 0.0545090400000000, -0.0251337100000000, 0.0478334900000000 ] - [ -0.0027818000000000, 0.0003262900000000, 0.0002773000000000 ] - [ 0.0004027400000000, 0.0023268800000000, 0.0000196700000000 ] - [ -0.0007263100000000, -0.0018694300000000, 0.0001297400000000 ] - [ -0.0032139000000000, -0.0045149200000000, -0.0048912500000000 ] - [ -0.0024558500000000, 0.0025349400000000, 0.0031892900000000 ] - [ -0.0019709700000000, -0.0003436000000000, -0.0001267900000000 ] - [ 0.0033941700000000, -0.0018356600000000, -0.0004149600000000 ] - [ -0.0027123100000000, -0.0006573600000000, 0.0003505600000000 ] - [ 0.0044517200000000, 0.0007774100000000, -0.0039017100000000 ] - [ -0.0016342700000000, -0.0008583900000000, 0.0024775700000000 ] - [ -0.0003083600000000, 0.0014467300000000, -0.0003419300000000 ] - [ 0.0068193500000000, 0.0031041100000000, -0.0017593700000000 ] - [ -0.0020809000000000, -0.0012646800000000, 0.0003654800000000 ] - [ -0.0043613600000000, 0.0118376100000000, 0.0010816100000000 ] - [ -0.0025303300000000, -0.0012490200000000, 0.0032970200000000 ] - [ 0.0028032400000000, 0.0026862700000000, 0.0033114300000000 ] - [ -0.0020424200000000, -0.0027759600000000, -0.0042893600000000 ] - [ 0.0008895100000000, 0.0007830700000000, 0.0002766600000000 ] - [ -0.0008359400000000, -0.0006298000000000, -0.0002496300000000 ] - [ -0.0016252500000000, -0.0004792700000000, 0.0003005400000000 ] - [ 0.0005105700000000, 0.0023842800000000, -0.0028218300000000 ] - [ -0.0011074300000000, -0.0017597000000000, -0.0000786500000000 ] - [ 0.0017175800000000, 0.0004778400000000, 0.0000553600000000 ] - [ -0.0036378600000000, -0.0015431400000000, -0.0001157900000000 ] - [ 0.0021050000000000, 0.0008428100000000, 0.0007031800000000 ] - [ -0.0010993800000000, -0.0009096900000000, 0.0000136100000000 ] - [ 0.0005813200000000, 0.0005640600000000, -0.0003030600000000 ] - [ -0.0908470100000000, 0.0209903200000000, -0.0563516500000000 ] - [ 0.0022538400000000, 0.0004858100000000, 0.0000959600000000 ] - [ -0.0003288000000000, -0.0009294200000000, 0.0004224600000000 ] - [ 0.0007056700000000, 0.0014634000000000, -0.0003735700000000 ] - [ -0.0097638500000000, -0.0012160800000000, -0.0001428300000000 ] - [ 0.0013741100000000, 0.0000791100000000, -0.0003830400000000 ] - [ -0.0002718800000000, -0.0009107200000000, -0.0004448400000000 ] - [ 0.0002529000000000, 0.0009129900000000, 0.0001692500000000 ] - [ 0.0001689600000000, 0.0008017200000000, 0.0021177000000000 ] - [ 0.0009901200000000, -0.0000308000000000, -0.0017979200000000 ] - [ 0.0006690200000000, -0.0000794500000000, -0.0003931900000000 ] - [ -0.0006143300000000, 0.0007983300000000, -0.0003288300000000 ] - [ 0.0071836400000000, 0.0030449000000000, 0.0017538200000000 ] - [ 0.0040922600000000, -0.0040973300000000, -0.0017593400000000 ] - [ 0.0004932400000000, 0.0001088300000000, 0.0005106000000000 ] - [ -0.0012053200000000, 0.0005345700000000, -0.0003110100000000 ] - [ 0.0016189600000000, -0.0000935700000000, -0.0005807100000000 ] - [ 0.0007269900000000, -0.0014623300000000, 0.0005609400000000 ] - [ 0.0015667400000000, -0.0003061800000000, -0.0000524500000000 ] - [ -0.0014173000000000, 0.0003450100000000, 0.0006111500000000 ] - [ 0.0011096300000000, -0.0003671400000000, -0.0000033200000000 ] - [ -0.0075616900000000, 0.0078126000000000, -0.0042443800000000 ] - [ 0.0003678900000000, 0.0017975900000000, 0.0006011900000000 ] - [ 0.0003105500000000, -0.0031918500000000, -0.0003418400000000 ] - [ -0.0032826900000000, 0.0029800400000000, 0.0028488100000000 ] - [ 0.0011282300000000, -0.0004717400000000, -0.0005698500000000 ] - [ 0.0020661500000000, -0.0024159900000000, -0.0014080700000000 ] - [ 0.0019710900000000, 0.0053260700000000, -0.0022173000000000 ] - [ -0.0013532300000000, 0.0000729400000000, -0.0000372700000000 ] - [ 0.0008217000000000, -0.0000075300000000, 0.0001096200000000 ] - [ 0.0032261700000000, -0.0029985900000000, 0.0025114200000000 ] - [ -0.0000204200000000, 0.0006167800000000, -0.0014021900000000 ] - [ 0.0008871800000000, -0.0002393400000000, 0.0007161700000000 ] - [ -0.0006428300000000, 0.0001006900000000, 0.0011633500000000 ] - [ -0.0003502300000000, 0.0003331900000000, -0.0007419500000000 ] - [ 0.0002317500000000, -0.0004987500000000, 0.0003558200000000 ] - [ 0.0011535000000000, -0.0007331000000000, -0.0011232000000000 ] - [ -0.0030305600000000, 0.0052248400000000, 0.0054836000000000 ] - [ 0.0016475700000000, 0.0051555300000000, -0.0019260800000000 ] - [ 0.0001071300000000, -0.0008251600000000, 0.0000419200000000 ] - [ -0.0009104000000000, -0.0007990600000000, 0.0002108200000000 ] - [ 0.0006671600000000, 0.0012701400000000, 0.0000206400000000 ] - [ -0.0006132100000000, -0.0007578200000000, -0.0004169700000000 ] - [ 0.0008249200000000, 0.0023726200000000, 0.0006365700000000 ] - [ 0.0142871200000000, -0.0176053800000000, 0.0138249600000000 ] - [ 0.0014616700000000, 0.0003265700000000, -0.0007686100000000 ] - [ -0.0016680100000000, -0.0004793000000000, 0.0003834500000000 ] - [ 0.0000486900000000, 0.0008227700000000, -0.0000750600000000 ] - [ -0.0005225300000000, -0.0000195400000000, -0.0005092300000000 ] - [ 0.0001711900000000, -0.0000430000000000, 0.0017689800000000 ] - [ 0.0000040900000000, -0.0002722200000000, 0.0002676900000000 ] - [ 0.0001073400000000, 0.0004315700000000, -0.0000239200000000 ] - [ 0.0022900000000000, -0.0021699800000000, -0.0037457800000000 ] - [ 0.0084668700000000, -0.0011799900000000, 0.0077018500000000 ] - [ -0.0002958500000000, -0.0001069000000000, -0.0005100200000000 ] - [ -0.0001042900000000, 0.0007071200000000, 0.0002593900000000 ] - [ 0.0012474600000000, 0.0002787800000000, 0.0001768300000000 ] - [ -0.0011172100000000, -0.0003330700000000, 0.0013308400000000 ] - [ 0.0004332800000000, 0.0007126800000000, 0.0003728400000000 ] - [ -0.0005362200000000, -0.0004288200000000, 0.0001834700000000 ] - [ 0.0021549100000000, 0.0006945800000000, -0.0005037600000000 ] - [ -0.0062130300000000, -0.0066510600000000, 0.0065939200000000 ] - [ 0.0009376200000000, 0.0011610500000000, -0.0002984700000000 ] - [ -0.0005443100000000, -0.0005328500000000, -0.0001509700000000 ] - [ 0.0032122000000000, 0.0015020900000000, 0.0007542100000000 ] - [ 0.0007852600000000, -0.0062397000000000, -0.0035100800000000 ] - [ 0.0023833000000000, 0.0012600700000000, -0.0003999600000000 ] - [ -0.0024610000000000, -0.0024999200000000, 0.0000568200000000 ]- atom: 45 displacement: [ -0.0100000000000000, -0.0000000000296212, 0.0000000000000000 ] forces: - [ -0.0162179000000000, -0.0046482700000000, 0.0072293900000000 ] - [ 0.0051134600000000, -0.0020046900000000, 0.0004518500000000 ] - [ 0.0005290600000000, -0.0018597900000000, -0.0004394200000000 ] - [ 0.0000130700000000, 0.0047254300000000, 0.0005884300000000 ] - [ -0.0026818900000000, 0.0007326700000000, 0.0009499500000000 ] - [ 0.0022750200000000, -0.0005935800000000, -0.0002235200000000 ] - [ 0.0006622800000000, -0.0017775800000000, 0.0005205400000000 ] - [ -0.0000206500000000, 0.0016255200000000, -0.0002482200000000 ] - [ 0.0032125000000000, 0.0004210000000000, 0.0019619300000000 ] - [ -0.0015720800000000, 0.0001280800000000, -0.0013228200000000 ] - [ -0.0000171400000000, 0.0009868300000000, 0.0001399300000000 ] - [ -0.0001800000000000, -0.0006060900000000, 0.0002461900000000 ] - [ 0.0068393100000000, -0.0012352000000000, -0.0018264000000000 ] - [ -0.0146800600000000, -0.0040024500000000, 0.0024837400000000 ] - [ -0.0000342700000000, 0.0028833600000000, 0.0002632000000000 ] - [ -0.0003099500000000, -0.0008407700000000, -0.0002804100000000 ] - [ -0.0551339200000000, 0.0253084300000000, -0.0473644600000000 ] - [ 0.0027711100000000, 0.0001153600000000, -0.0002875600000000 ] - [ -0.0004388600000000, -0.0018990200000000, -0.0000209200000000 ] - [ 0.0006956500000000, 0.0023107600000000, -0.0001358500000000 ] - [ 0.0028694700000000, 0.0042680200000000, 0.0048603000000000 ] - [ 0.0020736400000000, -0.0028165000000000, -0.0032410400000000 ] - [ 0.0016255800000000, 0.0001053200000000, 0.0001249100000000 ] - [ -0.0037177800000000, 0.0014552500000000, 0.0003947000000000 ] - [ 0.0023334900000000, 0.0008547400000000, -0.0003479100000000 ] - [ -0.0048849400000000, -0.0005998100000000, 0.0039502500000000 ] - [ 0.0012480100000000, 0.0010464300000000, -0.0024751400000000 ] - [ -0.0000857000000000, -0.0012692100000000, 0.0003485100000000 ] - [ -0.0064648000000000, -0.0032594000000000, 0.0017691200000000 ] - [ 0.0024851900000000, 0.0010722300000000, -0.0003732500000000 ] - [ 0.0048015700000000, -0.0120554500000000, -0.0010802400000000 ] - [ 0.0029343000000000, 0.0010773100000000, -0.0033471700000000 ] - [ -0.0024447600000000, -0.0024442500000000, -0.0033044500000000 ] - [ 0.0024136600000000, 0.0030528100000000, 0.0043502500000000 ] - [ -0.0005380500000000, -0.0005449000000000, -0.0002754300000000 ] - [ 0.0011951100000000, 0.0008735700000000, 0.0002557700000000 ] - [ 0.0016644400000000, 0.0000363800000000, -0.0002940300000000 ] - [ -0.0004835100000000, -0.0028329300000000, 0.0028687100000000 ] - [ 0.0011414000000000, 0.0013380700000000, 0.0000838300000000 ] - [ -0.0016947500000000, -0.0009192300000000, -0.0000551900000000 ] - [ 0.0024348900000000, 0.0009618200000000, 0.0001117700000000 ] - [ -0.0033430300000000, -0.0014431500000000, -0.0007145500000000 ] - [ -0.0001131500000000, 0.0003263100000000, -0.0000145700000000 ] - [ -0.0018012400000000, -0.0011545400000000, 0.0003014000000000 ] - [ 0.0922448600000000, -0.0208821300000000, 0.0571696200000000 ] - [ -0.0023693600000000, -0.0004692600000000, 0.0001756500000000 ] - [ 0.0002262600000000, 0.0009552400000000, -0.0001551100000000 ] - [ -0.0008107600000000, -0.0014499500000000, 0.0006449000000000 ] - [ 0.0096612800000000, 0.0012325200000000, -0.0003776900000000 ] - [ -0.0014849700000000, -0.0000568900000000, 0.0001222500000000 ] - [ 0.0001681800000000, 0.0009368100000000, 0.0001790400000000 ] - [ -0.0003544500000000, -0.0008916700000000, -0.0004330000000000 ] - [ -0.0001556100000000, -0.0009052300000000, -0.0023728600000000 ] - [ -0.0009505500000000, -0.0000716000000000, 0.0015485500000000 ] - [ -0.0006403700000000, -0.0000240400000000, 0.0001301400000000 ] - [ 0.0006497700000000, -0.0008599200000000, 0.0000406600000000 ] - [ -0.0070991600000000, -0.0031136800000000, -0.0014780600000000 ] - [ -0.0040981600000000, 0.0040577700000000, 0.0020641100000000 ] - [ -0.0004637400000000, -0.0002114100000000, -0.0002465300000000 ] - [ 0.0012490300000000, -0.0006074000000000, 0.0006021400000000 ] - [ -0.0005064300000000, -0.0006674700000000, 0.0005787400000000 ] - [ 0.0003945500000000, 0.0007072400000000, -0.0005704600000000 ] - [ -0.0004502600000000, -0.0004602800000000, 0.0000512700000000 ] - [ 0.0025520000000000, -0.0011141700000000, -0.0006203000000000 ] - [ -0.0012201400000000, -0.0009908200000000, 0.0000044000000000 ] - [ 0.0075092400000000, -0.0089579100000000, 0.0041538000000000 ] - [ -0.0004753600000000, -0.0031498900000000, -0.0005970500000000 ] - [ -0.0004070000000000, 0.0018565600000000, 0.0003479700000000 ] - [ 0.0033519300000000, -0.0029381000000000, -0.0025736300000000 ] - [ -0.0010648700000000, 0.0005623800000000, 0.0008428300000000 ] - [ -0.0020109000000000, 0.0024972200000000, 0.0016836600000000 ] - [ -0.0019099900000000, -0.0053176000000000, 0.0025207500000000 ] - [ 0.0014285400000000, -0.0000132400000000, -0.0002280200000000 ] - [ -0.0007533400000000, 0.0000908500000000, -0.0003739700000000 ] - [ -0.0031634500000000, 0.0030787300000000, -0.0027817200000000 ] - [ 0.0001079700000000, -0.0005368700000000, 0.0011522000000000 ] - [ -0.0009649200000000, 0.0001612700000000, -0.0004558300000000 ] - [ 0.0005787000000000, -0.0001714900000000, -0.0009216200000000 ] - [ 0.0002763000000000, -0.0004236300000000, 0.0010033400000000 ] - [ -0.0003042700000000, 0.0004278400000000, -0.0000945700000000 ] - [ -0.0012297400000000, 0.0006521400000000, 0.0008588300000000 ] - [ 0.0030161300000000, -0.0053707500000000, -0.0058128500000000 ] - [ -0.0017161500000000, -0.0052446400000000, 0.0016655000000000 ] - [ -0.0001780900000000, 0.0007593400000000, -0.0003100000000000 ] - [ 0.0010163400000000, 0.0021632000000000, -0.0002204500000000 ] - [ -0.0005678600000000, 0.0000852200000000, -0.0000227400000000 ] - [ 0.0007162900000000, 0.0021146400000000, 0.0004160600000000 ] - [ -0.0007246500000000, -0.0010391500000000, -0.0006463200000000 ] - [ -0.0153010200000000, 0.0182351200000000, -0.0136611600000000 ] - [ -0.0025947700000000, 0.0004316400000000, 0.0007815400000000 ] - [ 0.0005565000000000, 0.0012422500000000, -0.0003840900000000 ] - [ -0.0011721800000000, -0.0000541300000000, 0.0000772800000000 ] - [ 0.0004794300000000, 0.0001259200000000, 0.0007660500000000 ] - [ -0.0001898100000000, 0.0001432200000000, -0.0015349900000000 ] - [ -0.0000338000000000, 0.0003739200000000, -0.0000059900000000 ] - [ -0.0001393100000000, -0.0003286800000000, 0.0002855500000000 ] - [ -0.0023281800000000, 0.0022685500000000, 0.0034685400000000 ] - [ -0.0086129800000000, 0.0013016000000000, -0.0080715700000000 ] - [ 0.0002655400000000, 0.0002077400000000, 0.0002472100000000 ] - [ 0.0000742000000000, -0.0006098000000000, -0.0005279600000000 ] - [ -0.0011517500000000, -0.0003003600000000, 0.0000862300000000 ] - [ 0.0012360900000000, 0.0003017800000000, -0.0010999700000000 ] - [ -0.0003305600000000, -0.0007406100000000, -0.0001140100000000 ] - [ 0.0006387400000000, 0.0004095600000000, 0.0000805300000000 ] - [ -0.0020640600000000, -0.0007159300000000, 0.0002327700000000 ] - [ 0.0063729900000000, 0.0066941000000000, -0.0069417500000000 ] - [ -0.0008404400000000, -0.0011909900000000, 0.0000331200000000 ] - [ 0.0006468600000000, 0.0005156900000000, -0.0001158000000000 ] - [ -0.0020013100000000, -0.0009126400000000, -0.0007477300000000 ] - [ 0.0004670600000000, 0.0068821600000000, 0.0035519600000000 ] - [ -0.0011789900000000, -0.0006792300000000, 0.0004063300000000 ] - [ 0.0036551800000000, 0.0031004500000000, -0.0000578600000000 ]- atom: 45 displacement: [ -0.0050000000321553, 0.0086602540192795, 0.0000000000000000 ] forces: - [ -0.0029394000000000, 0.0109629900000000, -0.0078377400000000 ] - [ 0.0022517900000000, -0.0006459200000000, 0.0004344900000000 ] - [ 0.0016965500000000, -0.0021544300000000, -0.0007307100000000 ] - [ -0.0025084400000000, -0.0001459000000000, -0.0009446500000000 ] - [ -0.0011447500000000, 0.0029711700000000, 0.0009257100000000 ] - [ 0.0012406200000000, -0.0000755700000000, -0.0002927200000000 ] - [ 0.0014775700000000, -0.0021501800000000, 0.0008373200000000 ] - [ -0.0021608900000000, -0.0005917600000000, 0.0013180600000000 ] - [ 0.0023595300000000, 0.0019741500000000, 0.0021852100000000 ] - [ -0.0020839700000000, 0.0032177300000000, 0.0011549200000000 ] - [ -0.0005485200000000, -0.0013285700000000, 0.0000019900000000 ] - [ 0.0009064800000000, -0.0024152400000000, 0.0010859200000000 ] - [ 0.0023945400000000, 0.0023624700000000, -0.0020566900000000 ] - [ -0.0054043700000000, 0.0071187500000000, -0.0018920100000000 ] - [ -0.0007676800000000, -0.0033991500000000, 0.0001400800000000 ] - [ 0.0007797100000000, -0.0025096400000000, -0.0010102300000000 ] - [ -0.0483978900000000, 0.0864357600000000, -0.0941228700000000 ] - [ 0.0007800800000000, 0.0007874500000000, -0.0003071200000000 ] - [ 0.0017295800000000, -0.0027330100000000, -0.0001137100000000 ] - [ -0.0009216800000000, -0.0004145100000000, -0.0004083400000000 ] - [ -0.0005946300000000, 0.0009775700000000, -0.0012762900000000 ] - [ 0.0053470700000000, -0.0006907600000000, -0.0013692200000000 ] - [ 0.0002645700000000, -0.0007284600000000, -0.0002958700000000 ] - [ 0.0011625000000000, -0.0136503000000000, -0.0011986800000000 ] - [ 0.0009539500000000, 0.0003071900000000, 0.0001637800000000 ] - [ -0.0009510800000000, 0.0008018600000000, 0.0004059700000000 ] - [ -0.0018596800000000, -0.0002086100000000, 0.0018753100000000 ] - [ 0.0008668600000000, -0.0010734400000000, 0.0002034600000000 ] - [ -0.0006932900000000, -0.0058596100000000, -0.0047329700000000 ] - [ 0.0006606600000000, -0.0004549100000000, -0.0002081700000000 ] - [ 0.0086796100000000, -0.0110268700000000, -0.0011005800000000 ] - [ -0.0007645900000000, 0.0002741500000000, -0.0012790000000000 ] - [ 0.0000193300000000, 0.0008354700000000, 0.0002172100000000 ] - [ 0.0009624400000000, 0.0014808100000000, 0.0017025000000000 ] - [ 0.0006928800000000, -0.0014879300000000, 0.0004841000000000 ] - [ -0.0005960400000000, -0.0005900500000000, 0.0001537900000000 ] - [ -0.0007688500000000, 0.0001536900000000, 0.0002464700000000 ] - [ 0.0012855100000000, -0.0022574800000000, 0.0042855900000000 ] - [ 0.0003651800000000, -0.0002336900000000, 0.0004347000000000 ] - [ -0.0000715200000000, -0.0003537300000000, -0.0001155900000000 ] - [ -0.0001782500000000, -0.0009857500000000, -0.0000024600000000 ] - [ -0.0015712700000000, -0.0007746700000000, -0.0003028600000000 ] - [ -0.0010416500000000, 0.0002913200000000, -0.0000952400000000 ] - [ 0.0003910600000000, 0.0001937200000000, -0.0002704600000000 ] - [ 0.0635082800000000, -0.1265782300000000, 0.1392356300000000 ] - [ -0.0007977600000000, -0.0004438500000000, 0.0003776200000000 ] - [ -0.0007322700000000, 0.0012209000000000, -0.0002031500000000 ] - [ 0.0008268800000000, 0.0003925200000000, 0.0003830300000000 ] - [ 0.0037339800000000, -0.0068188900000000, -0.0009505000000000 ] - [ -0.0007112400000000, -0.0002928800000000, -0.0000448100000000 ] - [ -0.0007457100000000, 0.0012894800000000, 0.0003808300000000 ] - [ 0.0005734000000000, 0.0004936700000000, 0.0000715100000000 ] - [ 0.0001319900000000, -0.0015889400000000, -0.0001108200000000 ] - [ -0.0012598900000000, -0.0008691500000000, 0.0013731600000000 ] - [ -0.0005634400000000, 0.0005186400000000, 0.0000517600000000 ] - [ 0.0008505200000000, 0.0041105400000000, -0.0029619200000000 ] - [ 0.0024282600000000, -0.0024889800000000, 0.0024907500000000 ] - [ -0.0025680700000000, 0.0006904300000000, 0.0001639300000000 ] - [ -0.0007057900000000, 0.0007936600000000, 0.0002826800000000 ] - [ 0.0011761000000000, 0.0029683800000000, 0.0025129400000000 ] - [ 0.0014392900000000, -0.0007462400000000, -0.0004375200000000 ] - [ -0.0007774900000000, 0.0007083800000000, -0.0006590000000000 ] - [ 0.0001441300000000, -0.0001932600000000, -0.0000952100000000 ] - [ 0.0009887800000000, -0.0006892200000000, -0.0000766700000000 ] - [ -0.0006797400000000, -0.0007606400000000, 0.0000927600000000 ] - [ 0.0050220100000000, 0.0218571800000000, -0.0156484600000000 ] - [ 0.0006516600000000, -0.0007358800000000, 0.0003257000000000 ] - [ -0.0013281800000000, 0.0013996400000000, 0.0000895900000000 ] - [ 0.0009449500000000, 0.0067530800000000, 0.0011414200000000 ] - [ -0.0003346100000000, 0.0006923700000000, 0.0003255300000000 ] - [ -0.0031567800000000, 0.0017499100000000, 0.0027132500000000 ] - [ 0.0006831900000000, -0.0020418300000000, 0.0016137400000000 ] - [ 0.0013125500000000, 0.0002506000000000, 0.0020554600000000 ] - [ -0.0001683400000000, 0.0005105100000000, -0.0000368200000000 ] - [ -0.0039831500000000, 0.0028258800000000, -0.0033346000000000 ] - [ 0.0013768600000000, -0.0001488400000000, -0.0001329600000000 ] - [ -0.0006171000000000, -0.0000192600000000, -0.0004431800000000 ] - [ 0.0002565800000000, -0.0005707300000000, -0.0003579400000000 ] - [ 0.0001244400000000, -0.0001298200000000, -0.0005360100000000 ] - [ -0.0005849200000000, 0.0007239200000000, -0.0004273800000000 ] - [ -0.0004969200000000, -0.0000959700000000, 0.0001881600000000 ] - [ 0.0021453000000000, -0.0021839600000000, -0.0008246900000000 ] - [ 0.0010955500000000, 0.0029813300000000, -0.0014820500000000 ] - [ -0.0004931800000000, 0.0008264500000000, 0.0001424100000000 ] - [ -0.0001683700000000, 0.0022187100000000, -0.0008629200000000 ] - [ 0.0002187700000000, 0.0008854100000000, -0.0000639300000000 ] - [ 0.0000766100000000, 0.0003438700000000, -0.0000230700000000 ] - [ 0.0000635700000000, 0.0002093800000000, -0.0002848700000000 ] - [ -0.0193827400000000, 0.0125457400000000, -0.0137359500000000 ] - [ -0.0007816200000000, -0.0001667600000000, 0.0003279900000000 ] - [ -0.0018394400000000, 0.0026170600000000, 0.0004902000000000 ] - [ -0.0002707600000000, 0.0009099200000000, 0.0000994400000000 ] - [ 0.0002954000000000, -0.0004659200000000, -0.0003713400000000 ] - [ 0.0001349600000000, -0.0002226600000000, -0.0006780000000000 ] - [ -0.0003630300000000, 0.0009220800000000, -0.0003176900000000 ] - [ 0.0002604200000000, 0.0005238100000000, -0.0003883100000000 ] - [ 0.0008197500000000, -0.0029484700000000, 0.0003812300000000 ] - [ -0.0028300000000000, 0.0003695700000000, -0.0025887600000000 ] - [ -0.0007492700000000, 0.0010066900000000, -0.0002683000000000 ] - [ 0.0002941500000000, 0.0003988800000000, 0.0001644500000000 ] - [ -0.0002937400000000, -0.0005382600000000, -0.0003496000000000 ] - [ 0.0003726900000000, -0.0007820300000000, -0.0021804800000000 ] - [ 0.0004938500000000, 0.0001990700000000, -0.0001049000000000 ] - [ -0.0000147400000000, 0.0002675100000000, -0.0001150100000000 ] - [ -0.0003884400000000, -0.0004688700000000, 0.0000410000000000 ] - [ -0.0025871800000000, 0.0019165200000000, -0.0078022100000000 ] - [ 0.0006299400000000, 0.0006131900000000, -0.0005216000000000 ] - [ -0.0001015800000000, 0.0004155800000000, 0.0000571600000000 ] - [ 0.0006706000000000, 0.0002916700000000, 0.0002302600000000 ] - [ -0.0046490700000000, 0.0059882200000000, 0.0050978300000000 ] - [ 0.0006032800000000, 0.0003910400000000, 0.0002193800000000 ] - [ -0.0005236700000000, 0.0039920000000000, 0.0000074500000000 ]- atom: 45 displacement: [ 0.0050000000321553, -0.0086602540192795, 0.0000000000000000 ] forces: - [ 0.0030295100000000, -0.0109709800000000, 0.0081810100000000 ] - [ -0.0022548000000000, 0.0006516900000000, -0.0000276400000000 ] - [ -0.0017010800000000, 0.0021574100000000, 0.0011412800000000 ] - [ 0.0025130600000000, 0.0001411600000000, 0.0013565100000000 ] - [ 0.0011697700000000, -0.0029348200000000, -0.0013056300000000 ] - [ -0.0012409300000000, 0.0000776200000000, -0.0001142500000000 ] - [ -0.0014778200000000, 0.0021535000000000, -0.0012445300000000 ] - [ 0.0021662500000000, 0.0005855900000000, -0.0017252500000000 ] - [ -0.0023613300000000, -0.0019868800000000, -0.0017925800000000 ] - [ 0.0020439100000000, -0.0032222200000000, -0.0007433700000000 ] - [ 0.0005429400000000, 0.0013353300000000, 0.0004014100000000 ] - [ -0.0009067800000000, 0.0024172000000000, -0.0006854100000000 ] - [ -0.0023986000000000, -0.0023736600000000, 0.0016560000000000 ] - [ 0.0053626400000000, -0.0071752400000000, 0.0014326400000000 ] - [ 0.0007601000000000, 0.0033970000000000, -0.0005354800000000 ] - [ -0.0007798700000000, 0.0025133100000000, 0.0006124400000000 ] - [ 0.0490469300000000, -0.0871964100000000, 0.0983517500000000 ] - [ -0.0008073000000000, -0.0003613200000000, 0.0003071900000000 ] - [ -0.0017526700000000, 0.0031596700000000, 0.0001135700000000 ] - [ 0.0008994000000000, 0.0008438300000000, 0.0004067700000000 ] - [ 0.0002508600000000, -0.0012055300000000, 0.0012826400000000 ] - [ -0.0056745200000000, 0.0004640700000000, 0.0013705700000000 ] - [ -0.0006175100000000, 0.0004920200000000, 0.0002947100000000 ] - [ -0.0015109800000000, 0.0134342900000000, 0.0011921400000000 ] - [ -0.0013414500000000, -0.0001222900000000, -0.0001628300000000 ] - [ 0.0005711300000000, -0.0006214800000000, -0.0004033000000000 ] - [ 0.0014810400000000, 0.0003918000000000, -0.0018753300000000 ] - [ -0.0012509600000000, 0.0012625300000000, -0.0002016100000000 ] - [ 0.0010628600000000, 0.0056644000000000, 0.0047119300000000 ] - [ -0.0002743900000000, 0.0002703500000000, 0.0002077200000000 ] - [ -0.0083194200000000, 0.0108803600000000, 0.0010967000000000 ] - [ 0.0011468300000000, -0.0004619500000000, 0.0012777900000000 ] - [ 0.0003341700000000, -0.0006064400000000, -0.0002131900000000 ] - [ -0.0006158700000000, -0.0012519000000000, -0.0017048300000000 ] - [ -0.0003452500000000, 0.0017268900000000, -0.0004833000000000 ] - [ 0.0009488700000000, 0.0008269100000000, -0.0001532100000000 ] - [ 0.0007950700000000, -0.0005808400000000, -0.0002474300000000 ] - [ -0.0012631000000000, 0.0018289800000000, -0.0042720400000000 ] - [ -0.0003428200000000, -0.0001958900000000, -0.0004339500000000 ] - [ 0.0000987900000000, -0.0000780800000000, 0.0001169000000000 ] - [ -0.0010390900000000, 0.0004030000000000, 0.0000022800000000 ] - [ 0.0003614600000000, 0.0001920700000000, 0.0003037300000000 ] - [ -0.0001733500000000, -0.0008790400000000, 0.0000951500000000 ] - [ -0.0016107100000000, -0.0007818200000000, 0.0002711600000000 ] - [ -0.0642957900000000, 0.1279083600000000, -0.1434356300000000 ] - [ 0.0006892100000000, 0.0004680400000000, -0.0001257000000000 ] - [ 0.0006237400000000, -0.0011980900000000, 0.0004551300000000 ] - [ -0.0009345700000000, -0.0003702300000000, -0.0001295700000000 ] - [ -0.0038560300000000, 0.0068650900000000, 0.0005351900000000 ] - [ 0.0006029300000000, 0.0003166200000000, -0.0002078200000000 ] - [ 0.0006368300000000, -0.0012671500000000, -0.0006327400000000 ] - [ -0.0006830200000000, -0.0004712200000000, -0.0003228900000000 ] - [ -0.0001088700000000, 0.0014873000000000, -0.0001403300000000 ] - [ 0.0012907700000000, 0.0007551900000000, -0.0016203200000000 ] - [ 0.0005990200000000, -0.0006260500000000, -0.0003038600000000 ] - [ -0.0008202600000000, -0.0042288700000000, 0.0027196500000000 ] - [ -0.0024125400000000, 0.0023799000000000, -0.0022384300000000 ] - [ 0.0025992600000000, -0.0008027200000000, 0.0000838700000000 ] - [ 0.0007410300000000, -0.0008995200000000, -0.0000295800000000 ] - [ -0.0011474400000000, -0.0030794500000000, -0.0022662500000000 ] - [ -0.0003210200000000, -0.0000165600000000, 0.0004362100000000 ] - [ 0.0018960700000000, -0.0014722500000000, 0.0006564900000000 ] - [ 0.0009759700000000, -0.0005703500000000, 0.0000951600000000 ] - [ 0.0001266200000000, -0.0000705800000000, 0.0000757200000000 ] - [ 0.0005755800000000, -0.0005885600000000, -0.0000929200000000 ] - [ -0.0052805700000000, -0.0233644800000000, 0.0158659300000000 ] - [ -0.0007563100000000, -0.0006193500000000, -0.0003255600000000 ] - [ 0.0012160000000000, -0.0027473000000000, -0.0000912200000000 ] - [ -0.0008508300000000, -0.0066166500000000, -0.0008957100000000 ] - [ 0.0004081700000000, -0.0006122200000000, -0.0000735600000000 ] - [ 0.0032419800000000, -0.0016722900000000, -0.0024692200000000 ] - [ -0.0006061600000000, 0.0021262800000000, -0.0013615200000000 ] - [ -0.0012304100000000, -0.0001780500000000, -0.0022982000000000 ] - [ 0.0002415700000000, -0.0004300400000000, -0.0002158900000000 ] - [ 0.0040739200000000, -0.0027575800000000, 0.0030969100000000 ] - [ -0.0013039700000000, 0.0002351100000000, -0.0001157900000000 ] - [ 0.0005431300000000, -0.0000611400000000, 0.0006969200000000 ] - [ -0.0003314800000000, 0.0004961000000000, 0.0006073700000000 ] - [ -0.0002011600000000, 0.0000396700000000, 0.0007868100000000 ] - [ 0.0005099400000000, -0.0008074600000000, 0.0006807500000000 ] - [ 0.0004228000000000, 0.0000153800000000, -0.0004417000000000 ] - [ -0.0022176600000000, 0.0021106000000000, 0.0005774000000000 ] - [ -0.0011793900000000, -0.0030810000000000, 0.0012334900000000 ] - [ 0.0004181800000000, -0.0009109600000000, -0.0003961500000000 ] - [ 0.0002747400000000, -0.0008701900000000, 0.0008604100000000 ] - [ -0.0001160600000000, 0.0004645200000000, 0.0000639300000000 ] - [ 0.0000265400000000, 0.0010114900000000, 0.0000221200000000 ] - [ 0.0000425400000000, 0.0011444500000000, 0.0002850000000000 ] - [ 0.0185148100000000, -0.0118497400000000, 0.0139734100000000 ] - [ -0.0003361000000000, 0.0009307800000000, -0.0003277600000000 ] - [ 0.0007214100000000, -0.0018492700000000, -0.0004887400000000 ] - [ -0.0008497500000000, -0.0001480200000000, -0.0000989400000000 ] - [ -0.0003361600000000, 0.0005771700000000, 0.0006228600000000 ] - [ -0.0001630900000000, 0.0003272800000000, 0.0009289700000000 ] - [ 0.0003314700000000, -0.0008174700000000, 0.0005703300000000 ] - [ -0.0002958700000000, -0.0004182100000000, 0.0006426300000000 ] - [ -0.0008610600000000, 0.0030597600000000, -0.0006332500000000 ] - [ 0.0028118100000000, -0.0002602300000000, 0.0023512300000000 ] - [ 0.0007164400000000, -0.0009021400000000, 0.0000136900000000 ] - [ -0.0003295000000000, -0.0002936700000000, -0.0004187600000000 ] - [ 0.0004018400000000, 0.0005169000000000, 0.0006041300000000 ] - [ -0.0002568900000000, 0.0007515200000000, 0.0024146800000000 ] - [ -0.0003861700000000, -0.0002213800000000, 0.0003582300000000 ] - [ 0.0001219200000000, -0.0002899500000000, 0.0003691700000000 ] - [ 0.0004965900000000, 0.0004464500000000, -0.0002942900000000 ] - [ 0.0026740900000000, -0.0019302700000000, 0.0074750100000000 ] - [ -0.0005205400000000, -0.0006346800000000, 0.0002655000000000 ] - [ 0.0002093400000000, -0.0004391600000000, -0.0003116100000000 ] - [ 0.0005392000000000, 0.0002916900000000, -0.0002316300000000 ] - [ 0.0057997100000000, -0.0053247800000000, -0.0050224200000000 ] - [ 0.0006132900000000, 0.0001968300000000, -0.0002192600000000 ] - [ 0.0017352100000000, -0.0034174100000000, -0.0000059200000000 ]- atom: 45 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0035400800000000, -0.0068242300000000, 0.0233935600000000 ] - [ -0.0012101200000000, 0.0009262400000000, 0.0005735700000000 ] - [ -0.0009155700000000, 0.0006854600000000, 0.0012600800000000 ] - [ 0.0011785700000000, -0.0014783600000000, 0.0016727500000000 ] - [ -0.0055683800000000, -0.0087769700000000, -0.0088343800000000 ] - [ 0.0003846200000000, -0.0002034300000000, -0.0008758400000000 ] - [ -0.0008841500000000, 0.0011077400000000, -0.0014516600000000 ] - [ 0.0014957900000000, 0.0011044200000000, -0.0019212100000000 ] - [ -0.0023380100000000, -0.0008246500000000, -0.0016589800000000 ] - [ 0.0100357000000000, 0.0005666300000000, -0.0062019500000000 ] - [ -0.0001431100000000, -0.0004431100000000, -0.0004429000000000 ] - [ -0.0004258800000000, 0.0014755000000000, -0.0009811000000000 ] - [ 0.0017199400000000, -0.0021334800000000, 0.0026045100000000 ] - [ 0.0008937000000000, -0.0022736800000000, 0.0078268200000000 ] - [ -0.0005698400000000, 0.0029207700000000, 0.0012267300000000 ] - [ -0.0001718300000000, 0.0012570100000000, 0.0009924400000000 ] - [ 0.0477900100000000, -0.0875381200000000, 0.1874292200000000 ] - [ -0.0001665700000000, -0.0002030000000000, 0.0008128600000000 ] - [ -0.0004205500000000, 0.0004556400000000, 0.0002769400000000 ] - [ 0.0005892200000000, 0.0004243100000000, 0.0008733100000000 ] - [ -0.0009004400000000, -0.0006936100000000, 0.0044580700000000 ] - [ 0.0028942600000000, 0.0006306400000000, 0.0027633400000000 ] - [ -0.0004708600000000, 0.0001031500000000, 0.0005300500000000 ] - [ -0.0014104300000000, 0.0111274800000000, 0.0020886400000000 ] - [ -0.0006538500000000, -0.0000875500000000, -0.0007123000000000 ] - [ -0.0007581200000000, -0.0019335600000000, -0.0055750800000000 ] - [ 0.0015780900000000, 0.0005107900000000, -0.0048289700000000 ] - [ -0.0012591000000000, 0.0011355200000000, -0.0003832300000000 ] - [ -0.0019738500000000, -0.0040772800000000, 0.0049137100000000 ] - [ 0.0001761500000000, 0.0002512900000000, 0.0004378400000000 ] - [ -0.0063346500000000, 0.0074881700000000, 0.0018352300000000 ] - [ 0.0010035600000000, -0.0000468300000000, 0.0026374400000000 ] - [ 0.0012254600000000, -0.0015653300000000, -0.0062278300000000 ] - [ -0.0004227900000000, -0.0004856100000000, -0.0029385000000000 ] - [ -0.0003655000000000, 0.0019194000000000, -0.0007956800000000 ] - [ 0.0010811800000000, 0.0007054400000000, -0.0004178900000000 ] - [ 0.0013680700000000, -0.0004419200000000, -0.0009772500000000 ] - [ -0.0015005800000000, 0.0019722500000000, -0.0092274800000000 ] - [ -0.0002419200000000, -0.0003254100000000, -0.0008992000000000 ] - [ 0.0003676200000000, -0.0013434200000000, -0.0004657400000000 ] - [ -0.0007411500000000, 0.0008526200000000, 0.0030944800000000 ] - [ -0.0001154600000000, -0.0000700800000000, 0.0005969700000000 ] - [ -0.0002268700000000, -0.0007932200000000, 0.0001753700000000 ] - [ -0.0018155300000000, -0.0009240200000000, 0.0007468400000000 ] - [ -0.0588071900000000, 0.1335408700000000, -0.2660356500000000 ] - [ -0.0000880300000000, 0.0002802400000000, -0.0004832800000000 ] - [ 0.0002384700000000, -0.0002008200000000, -0.0002858500000000 ] - [ -0.0005569100000000, 0.0000168600000000, -0.0005857200000000 ] - [ -0.0001627100000000, 0.0007904900000000, 0.0396629000000000 ] - [ 0.0002037100000000, 0.0000638000000000, -0.0004233100000000 ] - [ 0.0002615100000000, -0.0003915800000000, -0.0001087700000000 ] - [ -0.0003504500000000, -0.0003874300000000, -0.0005139500000000 ] - [ 0.0022918500000000, 0.0011505700000000, -0.0014589500000000 ] - [ -0.0012714900000000, 0.0006866200000000, -0.0007677000000000 ] - [ 0.0003434000000000, -0.0001380100000000, -0.0003151200000000 ] - [ -0.0005558000000000, -0.0034297600000000, 0.0019549800000000 ] - [ -0.0037215400000000, 0.0009174700000000, -0.0061749800000000 ] - [ 0.0009019500000000, -0.0022799700000000, -0.0022994800000000 ] - [ 0.0005188900000000, -0.0005720000000000, -0.0002954900000000 ] - [ -0.0010310600000000, -0.0024355500000000, -0.0025879400000000 ] - [ -0.0005522300000000, -0.0003141900000000, 0.0011938600000000 ] - [ 0.0022004100000000, -0.0015723600000000, 0.0014554500000000 ] - [ 0.0007967400000000, -0.0004141300000000, 0.0002472500000000 ] - [ 0.0001684600000000, 0.0004878100000000, 0.0008095400000000 ] - [ 0.0002561900000000, -0.0005595100000000, -0.0002295800000000 ] - [ -0.0009062600000000, -0.0234579100000000, 0.0041411000000000 ] - [ -0.0002353400000000, -0.0006745700000000, -0.0008492400000000 ] - [ -0.0006499500000000, -0.0006159200000000, -0.0004288100000000 ] - [ 0.0023926100000000, -0.0032069400000000, -0.0061713300000000 ] - [ 0.0001934400000000, -0.0004912000000000, -0.0002965000000000 ] - [ 0.0024215700000000, -0.0008149300000000, -0.0025858400000000 ] - [ 0.0000823200000000, 0.0022261900000000, -0.0023017100000000 ] - [ 0.0000173000000000, 0.0026426500000000, -0.0014601300000000 ] - [ -0.0001416200000000, -0.0001627500000000, -0.0003160900000000 ] - [ 0.0028699900000000, -0.0018137600000000, 0.0019531300000000 ] - [ -0.0014596600000000, -0.0010346700000000, -0.0007648700000000 ] - [ 0.0004089300000000, -0.0001350400000000, 0.0009642800000000 ] - [ 0.0004580800000000, -0.0010653500000000, 0.0034422300000000 ] - [ 0.0007681600000000, 0.0014136100000000, 0.0026018800000000 ] - [ 0.0004782300000000, -0.0005109200000000, 0.0009060600000000 ] - [ -0.0001766800000000, 0.0004821200000000, -0.0000328900000000 ] - [ 0.0004622900000000, 0.0038386000000000, 0.0030951700000000 ] - [ -0.0025030000000000, -0.0076929000000000, 0.0031693200000000 ] - [ 0.0002529400000000, -0.0006596800000000, -0.0003319200000000 ] - [ 0.0004096400000000, -0.0011220000000000, 0.0018852300000000 ] - [ -0.0003102000000000, 0.0004517300000000, 0.0002002900000000 ] - [ -0.0002082000000000, 0.0019756600000000, 0.0008365000000000 ] - [ 0.0002199200000000, 0.0009726900000000, 0.0006709500000000 ] - [ 0.0139241900000000, -0.0111979300000000, 0.0022629000000000 ] - [ -0.0006293100000000, 0.0006118000000000, -0.0006963800000000 ] - [ 0.0002026600000000, 0.0006041100000000, -0.0007913300000000 ] - [ -0.0007857900000000, 0.0000557600000000, -0.0002170200000000 ] - [ 0.0005526800000000, -0.0008336700000000, 0.0034372600000000 ] - [ -0.0015518300000000, 0.0001727800000000, 0.0026102100000000 ] - [ 0.0000023100000000, -0.0006142800000000, 0.0009625300000000 ] - [ -0.0003407700000000, -0.0003982900000000, 0.0009062800000000 ] - [ -0.0049460100000000, 0.0037049200000000, 0.0030823200000000 ] - [ 0.0031620200000000, -0.0002059700000000, 0.0031958300000000 ] - [ 0.0006622300000000, -0.0007015300000000, -0.0000309000000000 ] - [ -0.0004573300000000, -0.0000033000000000, -0.0003328500000000 ] - [ 0.0000061000000000, 0.0005111600000000, 0.0010431400000000 ] - [ -0.0011699600000000, 0.0019401700000000, 0.0061526000000000 ] - [ -0.0001935300000000, 0.0001149600000000, 0.0008349100000000 ] - [ -0.0000017700000000, 0.0002366800000000, 0.0008672900000000 ] - [ -0.0003161900000000, -0.0000322800000000, 0.0000106200000000 ] - [ 0.0067597500000000, -0.0048940800000000, 0.0110781100000000 ] - [ -0.0001145400000000, -0.0005621500000000, 0.0002547200000000 ] - [ 0.0000325700000000, 0.0001895600000000, -0.0003941900000000 ] - [ 0.0003810600000000, 0.0001061800000000, -0.0008112200000000 ] - [ -0.0019754100000000, 0.0038510700000000, -0.0010694000000000 ] - [ 0.0006058200000000, 0.0001916400000000, -0.0004535500000000 ] - [ 0.0020256300000000, -0.0027650600000000, -0.0003904400000000 ]- atom: 45 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0039539000000000, 0.0074117000000000, -0.0234599600000000 ] - [ 0.0011984000000000, -0.0009189400000000, -0.0001775400000000 ] - [ 0.0009202200000000, -0.0006893700000000, -0.0008642700000000 ] - [ -0.0011810400000000, 0.0014644500000000, -0.0012783500000000 ] - [ 0.0055281700000000, 0.0087243900000000, 0.0084241400000000 ] - [ -0.0003835200000000, 0.0002012600000000, 0.0004797200000000 ] - [ 0.0008933300000000, -0.0011112000000000, 0.0010615200000000 ] - [ -0.0014981400000000, -0.0011046500000000, 0.0015301900000000 ] - [ 0.0023339200000000, 0.0008354900000000, 0.0020709000000000 ] - [ -0.0099752300000000, -0.0005466700000000, 0.0065949500000000 ] - [ 0.0001429500000000, 0.0004337100000000, 0.0008502000000000 ] - [ 0.0004263300000000, -0.0014802600000000, 0.0013897200000000 ] - [ -0.0017243900000000, 0.0021414100000000, -0.0030241500000000 ] - [ -0.0010539700000000, 0.0022834400000000, -0.0082834000000000 ] - [ 0.0005741800000000, -0.0029300900000000, -0.0016388300000000 ] - [ 0.0001731700000000, -0.0012601600000000, -0.0013963500000000 ] - [ -0.0441333500000000, 0.0813666100000000, -0.1781227200000000 ] - [ 0.0001454500000000, 0.0006244100000000, -0.0008095700000000 ] - [ 0.0004019700000000, -0.0000300300000000, -0.0002767500000000 ] - [ -0.0006124400000000, -0.0000061200000000, -0.0008693800000000 ] - [ 0.0005568900000000, 0.0004660500000000, -0.0044385100000000 ] - [ -0.0032687000000000, -0.0008576900000000, -0.0027479700000000 ] - [ 0.0001239900000000, -0.0003324200000000, -0.0005291700000000 ] - [ 0.0010714400000000, -0.0114071300000000, -0.0020943800000000 ] - [ 0.0002739400000000, 0.0002729500000000, 0.0007132300000000 ] - [ 0.0004011800000000, 0.0021405200000000, 0.0055562000000000 ] - [ -0.0019665800000000, -0.0003310700000000, 0.0048328200000000 ] - [ 0.0008931300000000, -0.0009540400000000, 0.0003815400000000 ] - [ 0.0023731000000000, 0.0039274900000000, -0.0048903400000000 ] - [ 0.0001947000000000, -0.0004410700000000, -0.0004385700000000 ] - [ 0.0067402900000000, -0.0077159100000000, -0.0018442500000000 ] - [ -0.0006351300000000, -0.0001395000000000, -0.0026233800000000 ] - [ -0.0008867800000000, 0.0018102000000000, 0.0062335200000000 ] - [ 0.0007673200000000, 0.0007036300000000, 0.0029165000000000 ] - [ 0.0007148100000000, -0.0017058500000000, 0.0007977200000000 ] - [ -0.0007425000000000, -0.0004811600000000, 0.0004180400000000 ] - [ -0.0013637100000000, 0.0000253200000000, 0.0009750900000000 ] - [ 0.0015329400000000, -0.0024122700000000, 0.0092362000000000 ] - [ 0.0002607400000000, -0.0000991200000000, 0.0009025300000000 ] - [ -0.0003458000000000, 0.0009286300000000, 0.0004677900000000 ] - [ -0.0004747400000000, -0.0014528800000000, -0.0030954900000000 ] - [ -0.0010921700000000, -0.0005153100000000, -0.0005918400000000 ] - [ -0.0009894800000000, 0.0002089300000000, -0.0001742700000000 ] - [ 0.0006115800000000, 0.0003394800000000, -0.0007473200000000 ] - [ 0.0547688900000000, -0.1273913800000000, 0.2570479400000000 ] - [ -0.0000195200000000, -0.0002567800000000, 0.0007364600000000 ] - [ -0.0003501400000000, 0.0002230400000000, 0.0005413000000000 ] - [ 0.0004487600000000, 0.0000094700000000, 0.0008379600000000 ] - [ 0.0000596600000000, -0.0007918100000000, -0.0392697500000000 ] - [ -0.0003126000000000, -0.0000421800000000, 0.0001671400000000 ] - [ -0.0003735600000000, 0.0004146600000000, -0.0001452100000000 ] - [ 0.0002407300000000, 0.0004119300000000, 0.0002601300000000 ] - [ -0.0022439700000000, -0.0012597700000000, 0.0011926800000000 ] - [ 0.0013072600000000, -0.0007855700000000, 0.0005020800000000 ] - [ -0.0003111900000000, 0.0000309800000000, 0.0000622100000000 ] - [ 0.0005931100000000, 0.0033320600000000, -0.0022148900000000 ] - [ 0.0037467600000000, -0.0010441000000000, 0.0064507600000000 ] - [ -0.0008516100000000, 0.0021632500000000, 0.0025489700000000 ] - [ -0.0004857000000000, 0.0004651900000000, 0.0005485000000000 ] - [ 0.0010680800000000, 0.0023348700000000, 0.0028438300000000 ] - [ 0.0016821200000000, -0.0004456300000000, -0.0011964400000000 ] - [ -0.0011008700000000, 0.0008224400000000, -0.0014585700000000 ] - [ 0.0003234400000000, -0.0003448700000000, -0.0002458200000000 ] - [ 0.0009500000000000, -0.0012546100000000, -0.0008048800000000 ] - [ -0.0003588600000000, -0.0007892400000000, 0.0002292100000000 ] - [ 0.0007966100000000, 0.0220354400000000, -0.0042022100000000 ] - [ 0.0001353700000000, -0.0006766000000000, 0.0008470700000000 ] - [ 0.0005524000000000, -0.0007406100000000, 0.0004282400000000 ] - [ -0.0023358200000000, 0.0032660300000000, 0.0064557900000000 ] - [ -0.0001156800000000, 0.0005743700000000, 0.0005484600000000 ] - [ -0.0023529500000000, 0.0009007800000000, 0.0028435300000000 ] - [ 0.0000038000000000, -0.0021296600000000, 0.0025488300000000 ] - [ 0.0000490400000000, -0.0025484400000000, 0.0011923900000000 ] - [ 0.0002186300000000, 0.0002480400000000, 0.0000636500000000 ] - [ -0.0028079400000000, 0.0019047000000000, -0.0022151500000000 ] - [ 0.0015354000000000, 0.0011119100000000, 0.0005041700000000 ] - [ -0.0004827700000000, 0.0000492000000000, -0.0007101500000000 ] - [ -0.0005384200000000, 0.0009689900000000, -0.0031825500000000 ] - [ -0.0008396900000000, -0.0014845900000000, -0.0023497200000000 ] - [ -0.0005569700000000, 0.0004309000000000, -0.0006562600000000 ] - [ 0.0001024400000000, -0.0005671800000000, -0.0002190000000000 ] - [ -0.0005558900000000, -0.0039172100000000, -0.0033207800000000 ] - [ 0.0024335700000000, 0.0076571900000000, -0.0034369900000000 ] - [ -0.0003339600000000, 0.0005764300000000, 0.0000852500000000 ] - [ -0.0003083700000000, 0.0024871300000000, -0.0018869100000000 ] - [ 0.0004152400000000, 0.0008997000000000, -0.0001991600000000 ] - [ 0.0003108100000000, -0.0006374800000000, -0.0008355200000000 ] - [ -0.0001177000000000, 0.0003816100000000, -0.0006661400000000 ] - [ -0.0150327100000000, 0.0119498900000000, -0.0023273500000000 ] - [ -0.0004881700000000, 0.0001483700000000, 0.0006936600000000 ] - [ -0.0013283900000000, 0.0001516800000000, 0.0007900900000000 ] - [ -0.0003317700000000, 0.0007063800000000, 0.0002166900000000 ] - [ -0.0005745100000000, 0.0009347100000000, -0.0031852400000000 ] - [ 0.0015077400000000, -0.0000643900000000, -0.0023451800000000 ] - [ -0.0000383900000000, 0.0007281500000000, -0.0007125600000000 ] - [ 0.0003090600000000, 0.0005084100000000, -0.0006560800000000 ] - [ 0.0049397800000000, -0.0036185400000000, -0.0033361600000000 ] - [ -0.0031544400000000, 0.0003079100000000, -0.0034091800000000 ] - [ -0.0006985300000000, 0.0008144600000000, -0.0002173700000000 ] - [ 0.0004243500000000, 0.0001136600000000, 0.0000839900000000 ] - [ 0.0001082800000000, -0.0005353600000000, -0.0007912600000000 ] - [ 0.0012714800000000, -0.0019580400000000, -0.0058991200000000 ] - [ 0.0003058900000000, -0.0001359600000000, -0.0005821900000000 ] - [ 0.0001121400000000, -0.0002609200000000, -0.0006152800000000 ] - [ 0.0004321800000000, 0.0000075200000000, -0.0002583400000000 ] - [ -0.0067654500000000, 0.0049369700000000, -0.0114570800000000 ] - [ 0.0002268700000000, 0.0005433100000000, -0.0005065300000000 ] - [ 0.0000774400000000, -0.0002129000000000, 0.0001426500000000 ] - [ 0.0008339500000000, 0.0004842800000000, 0.0008083000000000 ] - [ 0.0032000700000000, -0.0032910100000000, 0.0010353100000000 ] - [ 0.0006103200000000, 0.0004003900000000, 0.0004515800000000 ] - [ -0.0008155100000000, 0.0033612300000000, 0.0003904200000000 ]