# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/467a3852-6de4-42dc-a263-bbb0bef5b899/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 TmGaO3 / P6_3cm (185) / materials id 768469](https://mdr.nims.go.jp/datasets/679053be-ee22-4f72-b742-cb2ca9b5d261) ## 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_3cm" number: 185 Hall_symbol: "P 6c -2"supercell_matrix:- [ 2, 0, 0 ]- [ 0, 2, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 5.955719160000000, 0.000000000000000, 0.000000000000000 ] # a - [ -2.977859580000000, 5.157804090000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 11.547746860000000 ] # c points: - symbol: Tm # 1 coordinates: [ 0.666666670000000, 0.333333330000000, 0.766758560000000 ] mass: 168.934210 - symbol: Tm # 2 coordinates: [ 0.000000000000000, 0.000000000000000, 0.724333210000000 ] mass: 168.934210 - symbol: Tm # 3 coordinates: [ 0.000000000000000, 0.000000000000000, 0.224333210000000 ] mass: 168.934210 - symbol: Tm # 4 coordinates: [ 0.666666670000000, 0.333333330000000, 0.266758560000000 ] mass: 168.934210 - symbol: Tm # 5 coordinates: [ 0.333333330000000, 0.666666670000000, 0.266758560000000 ] mass: 168.934210 - symbol: Tm # 6 coordinates: [ 0.333333330000000, 0.666666670000000, 0.766758560000000 ] mass: 168.934210 - symbol: Ga # 7 coordinates: [ 0.334118820000000, 0.334118820000000, 0.499217260000000 ] mass: 69.723000 - symbol: Ga # 8 coordinates: [ 0.665881180000000, 0.665881180000000, 0.999217260000000 ] mass: 69.723000 - symbol: Ga # 9 coordinates: [ 0.000000000000000, 0.665881180000000, 0.499217260000000 ] mass: 69.723000 - symbol: Ga # 10 coordinates: [ 0.334118820000000, 0.000000000000000, 0.999217260000000 ] mass: 69.723000 - symbol: Ga # 11 coordinates: [ 0.000000000000000, 0.334118820000000, 0.999217260000000 ] mass: 69.723000 - symbol: Ga # 12 coordinates: [ 0.665881180000000, 0.000000000000000, 0.499217260000000 ] mass: 69.723000 - symbol: O # 13 coordinates: [ 0.304910970000000, 0.304910970000000, 0.335089040000000 ] mass: 15.999400 - symbol: O # 14 coordinates: [ 0.361321620000000, 0.361321620000000, 0.661994970000000 ] mass: 15.999400 - symbol: O # 15 coordinates: [ 0.638678380000000, 0.638678380000000, 0.161994970000000 ] mass: 15.999400 - symbol: O # 16 coordinates: [ 0.695089030000000, 0.695089030000000, 0.835089040000000 ] mass: 15.999400 - symbol: O # 17 coordinates: [ 0.666666670000000, 0.333333330000000, 0.977967160000000 ] mass: 15.999400 - symbol: O # 18 coordinates: [ 0.000000000000000, 0.000000000000000, 0.523413340000000 ] mass: 15.999400 - symbol: O # 19 coordinates: [ 0.000000000000000, 0.000000000000000, 0.023413340000000 ] mass: 15.999400 - symbol: O # 20 coordinates: [ 0.666666670000000, 0.333333330000000, 0.477967160000000 ] mass: 15.999400 - symbol: O # 21 coordinates: [ 0.000000000000000, 0.695089030000000, 0.335089040000000 ] mass: 15.999400 - symbol: O # 22 coordinates: [ 0.000000000000000, 0.638678380000000, 0.661994970000000 ] mass: 15.999400 - symbol: O # 23 coordinates: [ 0.304910970000000, 0.000000000000000, 0.835089040000000 ] mass: 15.999400 - symbol: O # 24 coordinates: [ 0.000000000000000, 0.361321620000000, 0.161994970000000 ] mass: 15.999400 - symbol: O # 25 coordinates: [ 0.000000000000000, 0.304910970000000, 0.835089040000000 ] mass: 15.999400 - symbol: O # 26 coordinates: [ 0.361321620000000, 0.000000000000000, 0.161994970000000 ] mass: 15.999400 - symbol: O # 27 coordinates: [ 0.333333330000000, 0.666666670000000, 0.477967160000000 ] mass: 15.999400 - symbol: O # 28 coordinates: [ 0.333333330000000, 0.666666670000000, 0.977967160000000 ] mass: 15.999400 - symbol: O # 29 coordinates: [ 0.638678380000000, 0.000000000000000, 0.661994970000000 ] mass: 15.999400 - symbol: O # 30 coordinates: [ 0.695089030000000, 0.000000000000000, 0.335089040000000 ] mass: 15.999400 reciprocal_lattice: # without 2pi - [ 0.167905835237537, 0.096940479179774, 0.000000000000000 ] # a* - [ 0.000000000000000, 0.193880958359549, 0.000000000000000 ] # b* - [ 0.000000000000000, 0.000000000000000, 0.086596979663962 ] # c*unit_cell: lattice: - [ 5.955719160000000, 0.000000000000000, 0.000000000000000 ] # a - [ -2.977859580000000, 5.157804090000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 11.547746860000000 ] # c points: - symbol: Tm # 1 coordinates: [ 0.666666670000000, 0.333333330000000, 0.766758560000000 ] mass: 168.934210 reduced_to: 1 - symbol: Tm # 2 coordinates: [ 0.000000000000000, 0.000000000000000, 0.724333210000000 ] mass: 168.934210 reduced_to: 2 - symbol: Tm # 3 coordinates: [ 0.000000000000000, 0.000000000000000, 0.224333210000000 ] mass: 168.934210 reduced_to: 3 - symbol: Tm # 4 coordinates: [ 0.666666670000000, 0.333333330000000, 0.266758560000000 ] mass: 168.934210 reduced_to: 4 - symbol: Tm # 5 coordinates: [ 0.333333330000000, 0.666666670000000, 0.266758560000000 ] mass: 168.934210 reduced_to: 5 - symbol: Tm # 6 coordinates: [ 0.333333330000000, 0.666666670000000, 0.766758560000000 ] mass: 168.934210 reduced_to: 6 - symbol: Ga # 7 coordinates: [ 0.334118820000000, 0.334118820000000, 0.499217260000000 ] mass: 69.723000 reduced_to: 7 - symbol: Ga # 8 coordinates: [ 0.665881180000000, 0.665881180000000, 0.999217260000000 ] mass: 69.723000 reduced_to: 8 - symbol: Ga # 9 coordinates: [ 0.000000000000000, 0.665881180000000, 0.499217260000000 ] mass: 69.723000 reduced_to: 9 - symbol: Ga # 10 coordinates: [ 0.334118820000000, 0.000000000000000, 0.999217260000000 ] mass: 69.723000 reduced_to: 10 - symbol: Ga # 11 coordinates: [ 0.000000000000000, 0.334118820000000, 0.999217260000000 ] mass: 69.723000 reduced_to: 11 - symbol: Ga # 12 coordinates: [ 0.665881180000000, 0.000000000000000, 0.499217260000000 ] mass: 69.723000 reduced_to: 12 - symbol: O # 13 coordinates: [ 0.304910970000000, 0.304910970000000, 0.335089040000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 14 coordinates: [ 0.361321620000000, 0.361321620000000, 0.661994970000000 ] mass: 15.999400 reduced_to: 14 - symbol: O # 15 coordinates: [ 0.638678380000000, 0.638678380000000, 0.161994970000000 ] mass: 15.999400 reduced_to: 15 - symbol: O # 16 coordinates: [ 0.695089030000000, 0.695089030000000, 0.835089040000000 ] mass: 15.999400 reduced_to: 16 - symbol: O # 17 coordinates: [ 0.666666670000000, 0.333333330000000, 0.977967160000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 18 coordinates: [ 0.000000000000000, 0.000000000000000, 0.523413340000000 ] mass: 15.999400 reduced_to: 18 - symbol: O # 19 coordinates: [ 0.000000000000000, 0.000000000000000, 0.023413340000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 20 coordinates: [ 0.666666670000000, 0.333333330000000, 0.477967160000000 ] mass: 15.999400 reduced_to: 20 - symbol: O # 21 coordinates: [ 0.000000000000000, 0.695089030000000, 0.335089040000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 22 coordinates: [ 0.000000000000000, 0.638678380000000, 0.661994970000000 ] mass: 15.999400 reduced_to: 22 - symbol: O # 23 coordinates: [ 0.304910970000000, 0.000000000000000, 0.835089040000000 ] mass: 15.999400 reduced_to: 23 - symbol: O # 24 coordinates: [ 0.000000000000000, 0.361321620000000, 0.161994970000000 ] mass: 15.999400 reduced_to: 24 - symbol: O # 25 coordinates: [ 0.000000000000000, 0.304910970000000, 0.835089040000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 26 coordinates: [ 0.361321620000000, 0.000000000000000, 0.161994970000000 ] mass: 15.999400 reduced_to: 26 - symbol: O # 27 coordinates: [ 0.333333330000000, 0.666666670000000, 0.477967160000000 ] mass: 15.999400 reduced_to: 27 - symbol: O # 28 coordinates: [ 0.333333330000000, 0.666666670000000, 0.977967160000000 ] mass: 15.999400 reduced_to: 28 - symbol: O # 29 coordinates: [ 0.638678380000000, 0.000000000000000, 0.661994970000000 ] mass: 15.999400 reduced_to: 29 - symbol: O # 30 coordinates: [ 0.695089030000000, 0.000000000000000, 0.335089040000000 ] mass: 15.999400 reduced_to: 30supercell: lattice: - [ 11.911438320000000, 0.000000000000000, 0.000000000000000 ] # a - [ -5.955719160000000, 10.315608180000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 11.547746860000000 ] # c points: - symbol: Tm # 1 coordinates: [ 0.333333335000000, 0.166666665000000, 0.766758560000000 ] mass: 168.934210 reduced_to: 1 - symbol: Tm # 2 coordinates: [ 0.833333335000000, 0.166666665000000, 0.766758560000000 ] mass: 168.934210 reduced_to: 1 - symbol: Tm # 3 coordinates: [ 0.333333335000000, 0.666666665000000, 0.766758560000000 ] mass: 168.934210 reduced_to: 1 - symbol: Tm # 4 coordinates: [ 0.833333335000000, 0.666666665000000, 0.766758560000000 ] mass: 168.934210 reduced_to: 1 - symbol: Tm # 5 coordinates: [ 0.000000000000000, 0.000000000000000, 0.724333210000000 ] mass: 168.934210 reduced_to: 5 - symbol: Tm # 6 coordinates: [ 0.500000000000000, 0.000000000000000, 0.724333210000000 ] mass: 168.934210 reduced_to: 5 - symbol: Tm # 7 coordinates: [ 0.000000000000000, 0.500000000000000, 0.724333210000000 ] mass: 168.934210 reduced_to: 5 - symbol: Tm # 8 coordinates: [ 0.500000000000000, 0.500000000000000, 0.724333210000000 ] mass: 168.934210 reduced_to: 5 - symbol: Tm # 9 coordinates: [ 0.000000000000000, 0.000000000000000, 0.224333210000000 ] mass: 168.934210 reduced_to: 9 - symbol: Tm # 10 coordinates: [ 0.500000000000000, 0.000000000000000, 0.224333210000000 ] mass: 168.934210 reduced_to: 9 - symbol: Tm # 11 coordinates: [ 0.000000000000000, 0.500000000000000, 0.224333210000000 ] mass: 168.934210 reduced_to: 9 - symbol: Tm # 12 coordinates: [ 0.500000000000000, 0.500000000000000, 0.224333210000000 ] mass: 168.934210 reduced_to: 9 - symbol: Tm # 13 coordinates: [ 0.333333335000000, 0.166666665000000, 0.266758560000000 ] mass: 168.934210 reduced_to: 13 - symbol: Tm # 14 coordinates: [ 0.833333335000000, 0.166666665000000, 0.266758560000000 ] mass: 168.934210 reduced_to: 13 - symbol: Tm # 15 coordinates: [ 0.333333335000000, 0.666666665000000, 0.266758560000000 ] mass: 168.934210 reduced_to: 13 - symbol: Tm # 16 coordinates: [ 0.833333335000000, 0.666666665000000, 0.266758560000000 ] mass: 168.934210 reduced_to: 13 - symbol: Tm # 17 coordinates: [ 0.166666665000000, 0.333333335000000, 0.266758560000000 ] mass: 168.934210 reduced_to: 17 - symbol: Tm # 18 coordinates: [ 0.666666665000000, 0.333333335000000, 0.266758560000000 ] mass: 168.934210 reduced_to: 17 - symbol: Tm # 19 coordinates: [ 0.166666665000000, 0.833333335000000, 0.266758560000000 ] mass: 168.934210 reduced_to: 17 - symbol: Tm # 20 coordinates: [ 0.666666665000000, 0.833333335000000, 0.266758560000000 ] mass: 168.934210 reduced_to: 17 - symbol: Tm # 21 coordinates: [ 0.166666665000000, 0.333333335000000, 0.766758560000000 ] mass: 168.934210 reduced_to: 21 - symbol: Tm # 22 coordinates: [ 0.666666665000000, 0.333333335000000, 0.766758560000000 ] mass: 168.934210 reduced_to: 21 - symbol: Tm # 23 coordinates: [ 0.166666665000000, 0.833333335000000, 0.766758560000000 ] mass: 168.934210 reduced_to: 21 - symbol: Tm # 24 coordinates: [ 0.666666665000000, 0.833333335000000, 0.766758560000000 ] mass: 168.934210 reduced_to: 21 - symbol: Ga # 25 coordinates: [ 0.167059410000000, 0.167059410000000, 0.499217260000000 ] mass: 69.723000 reduced_to: 25 - symbol: Ga # 26 coordinates: [ 0.667059410000000, 0.167059410000000, 0.499217260000000 ] mass: 69.723000 reduced_to: 25 - symbol: Ga # 27 coordinates: [ 0.167059410000000, 0.667059410000000, 0.499217260000000 ] mass: 69.723000 reduced_to: 25 - symbol: Ga # 28 coordinates: [ 0.667059410000000, 0.667059410000000, 0.499217260000000 ] mass: 69.723000 reduced_to: 25 - symbol: Ga # 29 coordinates: [ 0.332940590000000, 0.332940590000000, 0.999217260000000 ] mass: 69.723000 reduced_to: 29 - symbol: Ga # 30 coordinates: [ 0.832940590000000, 0.332940590000000, 0.999217260000000 ] mass: 69.723000 reduced_to: 29 - symbol: Ga # 31 coordinates: [ 0.332940590000000, 0.832940590000000, 0.999217260000000 ] mass: 69.723000 reduced_to: 29 - symbol: Ga # 32 coordinates: [ 0.832940590000000, 0.832940590000000, 0.999217260000000 ] mass: 69.723000 reduced_to: 29 - symbol: Ga # 33 coordinates: [ 0.000000000000000, 0.332940590000000, 0.499217260000000 ] mass: 69.723000 reduced_to: 33 - symbol: Ga # 34 coordinates: [ 0.500000000000000, 0.332940590000000, 0.499217260000000 ] mass: 69.723000 reduced_to: 33 - symbol: Ga # 35 coordinates: [ 0.000000000000000, 0.832940590000000, 0.499217260000000 ] mass: 69.723000 reduced_to: 33 - symbol: Ga # 36 coordinates: [ 0.500000000000000, 0.832940590000000, 0.499217260000000 ] mass: 69.723000 reduced_to: 33 - symbol: Ga # 37 coordinates: [ 0.167059410000000, 0.000000000000000, 0.999217260000000 ] mass: 69.723000 reduced_to: 37 - symbol: Ga # 38 coordinates: [ 0.667059410000000, 0.000000000000000, 0.999217260000000 ] mass: 69.723000 reduced_to: 37 - symbol: Ga # 39 coordinates: [ 0.167059410000000, 0.500000000000000, 0.999217260000000 ] mass: 69.723000 reduced_to: 37 - symbol: Ga # 40 coordinates: [ 0.667059410000000, 0.500000000000000, 0.999217260000000 ] mass: 69.723000 reduced_to: 37 - symbol: Ga # 41 coordinates: [ 0.000000000000000, 0.167059410000000, 0.999217260000000 ] mass: 69.723000 reduced_to: 41 - symbol: Ga # 42 coordinates: [ 0.500000000000000, 0.167059410000000, 0.999217260000000 ] mass: 69.723000 reduced_to: 41 - symbol: Ga # 43 coordinates: [ 0.000000000000000, 0.667059410000000, 0.999217260000000 ] mass: 69.723000 reduced_to: 41 - symbol: Ga # 44 coordinates: [ 0.500000000000000, 0.667059410000000, 0.999217260000000 ] mass: 69.723000 reduced_to: 41 - symbol: Ga # 45 coordinates: [ 0.332940590000000, 0.000000000000000, 0.499217260000000 ] mass: 69.723000 reduced_to: 45 - symbol: Ga # 46 coordinates: [ 0.832940590000000, 0.000000000000000, 0.499217260000000 ] mass: 69.723000 reduced_to: 45 - symbol: Ga # 47 coordinates: [ 0.332940590000000, 0.500000000000000, 0.499217260000000 ] mass: 69.723000 reduced_to: 45 - symbol: Ga # 48 coordinates: [ 0.832940590000000, 0.500000000000000, 0.499217260000000 ] mass: 69.723000 reduced_to: 45 - symbol: O # 49 coordinates: [ 0.152455485000000, 0.152455485000000, 0.335089040000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 50 coordinates: [ 0.652455485000000, 0.152455485000000, 0.335089040000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 51 coordinates: [ 0.152455485000000, 0.652455485000000, 0.335089040000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 52 coordinates: [ 0.652455485000000, 0.652455485000000, 0.335089040000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 53 coordinates: [ 0.180660810000000, 0.180660810000000, 0.661994970000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 54 coordinates: [ 0.680660810000000, 0.180660810000000, 0.661994970000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 55 coordinates: [ 0.180660810000000, 0.680660810000000, 0.661994970000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 56 coordinates: [ 0.680660810000000, 0.680660810000000, 0.661994970000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 57 coordinates: [ 0.319339190000000, 0.319339190000000, 0.161994970000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 58 coordinates: [ 0.819339190000000, 0.319339190000000, 0.161994970000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 59 coordinates: [ 0.319339190000000, 0.819339190000000, 0.161994970000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 60 coordinates: [ 0.819339190000000, 0.819339190000000, 0.161994970000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 61 coordinates: [ 0.347544515000000, 0.347544515000000, 0.835089040000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 62 coordinates: [ 0.847544515000000, 0.347544515000000, 0.835089040000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 63 coordinates: [ 0.347544515000000, 0.847544515000000, 0.835089040000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 64 coordinates: [ 0.847544515000000, 0.847544515000000, 0.835089040000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 65 coordinates: [ 0.333333335000000, 0.166666665000000, 0.977967160000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 66 coordinates: [ 0.833333335000000, 0.166666665000000, 0.977967160000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 67 coordinates: [ 0.333333335000000, 0.666666665000000, 0.977967160000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 68 coordinates: [ 0.833333335000000, 0.666666665000000, 0.977967160000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 69 coordinates: [ 0.000000000000000, 0.000000000000000, 0.523413340000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 70 coordinates: [ 0.500000000000000, 0.000000000000000, 0.523413340000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 71 coordinates: [ 0.000000000000000, 0.500000000000000, 0.523413340000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 72 coordinates: [ 0.500000000000000, 0.500000000000000, 0.523413340000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 73 coordinates: [ 0.000000000000000, 0.000000000000000, 0.023413340000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 74 coordinates: [ 0.500000000000000, 0.000000000000000, 0.023413340000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 75 coordinates: [ 0.000000000000000, 0.500000000000000, 0.023413340000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 76 coordinates: [ 0.500000000000000, 0.500000000000000, 0.023413340000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 77 coordinates: [ 0.333333335000000, 0.166666665000000, 0.477967160000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 78 coordinates: [ 0.833333335000000, 0.166666665000000, 0.477967160000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 79 coordinates: [ 0.333333335000000, 0.666666665000000, 0.477967160000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 80 coordinates: [ 0.833333335000000, 0.666666665000000, 0.477967160000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 81 coordinates: [ 0.000000000000000, 0.347544515000000, 0.335089040000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 82 coordinates: [ 0.500000000000000, 0.347544515000000, 0.335089040000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 83 coordinates: [ 0.000000000000000, 0.847544515000000, 0.335089040000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 84 coordinates: [ 0.500000000000000, 0.847544515000000, 0.335089040000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 85 coordinates: [ 0.000000000000000, 0.319339190000000, 0.661994970000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 86 coordinates: [ 0.500000000000000, 0.319339190000000, 0.661994970000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 87 coordinates: [ 0.000000000000000, 0.819339190000000, 0.661994970000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 88 coordinates: [ 0.500000000000000, 0.819339190000000, 0.661994970000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 89 coordinates: [ 0.152455485000000, 0.000000000000000, 0.835089040000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 90 coordinates: [ 0.652455485000000, 0.000000000000000, 0.835089040000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 91 coordinates: [ 0.152455485000000, 0.500000000000000, 0.835089040000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 92 coordinates: [ 0.652455485000000, 0.500000000000000, 0.835089040000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 93 coordinates: [ 0.000000000000000, 0.180660810000000, 0.161994970000000 ] mass: 15.999400 reduced_to: 93 - symbol: O # 94 coordinates: [ 0.500000000000000, 0.180660810000000, 0.161994970000000 ] mass: 15.999400 reduced_to: 93 - symbol: O # 95 coordinates: [ 0.000000000000000, 0.680660810000000, 0.161994970000000 ] mass: 15.999400 reduced_to: 93 - symbol: O # 96 coordinates: [ 0.500000000000000, 0.680660810000000, 0.161994970000000 ] mass: 15.999400 reduced_to: 93 - symbol: O # 97 coordinates: [ 0.000000000000000, 0.152455485000000, 0.835089040000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 98 coordinates: [ 0.500000000000000, 0.152455485000000, 0.835089040000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 99 coordinates: [ 0.000000000000000, 0.652455485000000, 0.835089040000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 100 coordinates: [ 0.500000000000000, 0.652455485000000, 0.835089040000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 101 coordinates: [ 0.180660810000000, 0.000000000000000, 0.161994970000000 ] mass: 15.999400 reduced_to: 101 - symbol: O # 102 coordinates: [ 0.680660810000000, 0.000000000000000, 0.161994970000000 ] mass: 15.999400 reduced_to: 101 - symbol: O # 103 coordinates: [ 0.180660810000000, 0.500000000000000, 0.161994970000000 ] mass: 15.999400 reduced_to: 101 - symbol: O # 104 coordinates: [ 0.680660810000000, 0.500000000000000, 0.161994970000000 ] mass: 15.999400 reduced_to: 101 - symbol: O # 105 coordinates: [ 0.166666665000000, 0.333333335000000, 0.477967160000000 ] mass: 15.999400 reduced_to: 105 - symbol: O # 106 coordinates: [ 0.666666665000000, 0.333333335000000, 0.477967160000000 ] mass: 15.999400 reduced_to: 105 - symbol: O # 107 coordinates: [ 0.166666665000000, 0.833333335000000, 0.477967160000000 ] mass: 15.999400 reduced_to: 105 - symbol: O # 108 coordinates: [ 0.666666665000000, 0.833333335000000, 0.477967160000000 ] mass: 15.999400 reduced_to: 105 - symbol: O # 109 coordinates: [ 0.166666665000000, 0.333333335000000, 0.977967160000000 ] mass: 15.999400 reduced_to: 109 - symbol: O # 110 coordinates: [ 0.666666665000000, 0.333333335000000, 0.977967160000000 ] mass: 15.999400 reduced_to: 109 - symbol: O # 111 coordinates: [ 0.166666665000000, 0.833333335000000, 0.977967160000000 ] mass: 15.999400 reduced_to: 109 - symbol: O # 112 coordinates: [ 0.666666665000000, 0.833333335000000, 0.977967160000000 ] mass: 15.999400 reduced_to: 109 - symbol: O # 113 coordinates: [ 0.319339190000000, 0.000000000000000, 0.661994970000000 ] mass: 15.999400 reduced_to: 113 - symbol: O # 114 coordinates: [ 0.819339190000000, 0.000000000000000, 0.661994970000000 ] mass: 15.999400 reduced_to: 113 - symbol: O # 115 coordinates: [ 0.319339190000000, 0.500000000000000, 0.661994970000000 ] mass: 15.999400 reduced_to: 113 - symbol: O # 116 coordinates: [ 0.819339190000000, 0.500000000000000, 0.661994970000000 ] mass: 15.999400 reduced_to: 113 - symbol: O # 117 coordinates: [ 0.347544515000000, 0.000000000000000, 0.335089040000000 ] mass: 15.999400 reduced_to: 117 - symbol: O # 118 coordinates: [ 0.847544515000000, 0.000000000000000, 0.335089040000000 ] mass: 15.999400 reduced_to: 117 - symbol: O # 119 coordinates: [ 0.347544515000000, 0.500000000000000, 0.335089040000000 ] mass: 15.999400 reduced_to: 117 - symbol: O # 120 coordinates: [ 0.847544515000000, 0.500000000000000, 0.335089040000000 ] mass: 15.999400 reduced_to: 117born_effective_charge:- # 1 (Tm) - [ 3.861187380000001, -0.110382630000000, 0.000000000000000 ] - [ 0.110382630000000, 3.861187380000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 3.376117960000000 ]- # 2 (Tm) - [ 3.782061850000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 3.782061850000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 3.443438400000000 ]- # 3 (Tm) - [ 3.782061850000000, -0.000000000000000, 0.000000000000000 ] - [ -0.000000000000000, 3.782061850000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 3.443438400000000 ]- # 4 (Tm) - [ 3.861187379993222, 0.110382629988260, 0.000000000000000 ] - [ -0.110382630011740, 3.861187380006779, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 3.376117960000000 ]- # 5 (Tm) - [ 3.861187379993222, -0.110382629988260, 0.000000000000000 ] - [ 0.110382630011740, 3.861187380006779, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 3.376117960000000 ]- # 6 (Tm) - [ 3.861187380006778, 0.110382629988260, 0.000000000000000 ] - [ -0.110382630011740, 3.861187379993222, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 3.376117960000000 ]- # 7 (Ga) - [ 2.863315520000000, -0.003277300000000, -0.084118660000000 ] - [ -0.003277300000000, 2.859531220000000, -0.145697790000000 ] - [ -0.033324580000000, -0.057719870000000, 3.433123470000000 ]- # 8 (Ga) - [ 2.863315520000000, -0.003277300000000, 0.084118660000000 ] - [ -0.003277300000000, 2.859531220000000, 0.145697790000000 ] - [ 0.033324580000000, 0.057719870000000, 3.433123470000000 ]- # 9 (Ga) - [ 2.863315520055823, 0.003277299967306, -0.084118657406304 ] - [ 0.003277299968235, 2.859531219944178, 0.145697791497471 ] - [ -0.033324583726680, 0.057719867848400, 3.433123470000000 ]- # 10 (Ga) - [ 2.857639069944177, 0.000000000031997, -0.168237317406304 ] - [ 0.000000000032462, 2.865207670055823, 0.000000001497471 ] - [ -0.066649163726680, -0.000000002151599, 3.433123470000000 ]- # 11 (Ga) - [ 2.863315520055823, 0.003277299967306, 0.084118657406304 ] - [ 0.003277299968235, 2.859531219944178, -0.145697791497471 ] - [ 0.033324583726680, -0.057719867848400, 3.433123470000000 ]- # 12 (Ga) - [ 2.857639069944177, 0.000000000031997, 0.168237317406304 ] - [ 0.000000000032462, 2.865207670055823, -0.000000001497471 ] - [ 0.066649163726680, 0.000000002151599, 3.433123470000000 ]- # 13 (O) - [ -2.297573220000000, 0.027297220000000, -0.096016810000000 ] - [ 0.027297220000000, -2.266053100000000, -0.166306000000000 ] - [ -0.066887020000000, -0.115851710000000, -2.369831370000000 ]- # 14 (O) - [ -2.189861440000000, -0.007491290000000, -0.089097830000000 ] - [ -0.007491290000000, -2.198511640000000, -0.154321970000000 ] - [ -0.054392720000000, -0.094210950000000, -2.486157600000000 ]- # 15 (O) - [ -2.189861440000000, -0.007491290000000, 0.089097830000000 ] - [ -0.007491290000000, -2.198511640000000, 0.154321970000000 ] - [ 0.054392720000000, 0.094210950000000, -2.486157600000000 ]- # 16 (O) - [ -2.297573220000000, 0.027297220000000, 0.096016810000000 ] - [ 0.027297220000000, -2.266053100000000, 0.166306000000000 ] - [ 0.066887020000000, 0.115851710000000, -2.369831370000000 ]- # 17 (O) - [ -2.223550290000000, 0.004854600000000, 0.000000000000000 ] - [ -0.004854590000000, -2.223550290000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -1.953821930000000 ]- # 18 (O) - [ -2.213607020000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, -2.213607020000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -2.019433940000000 ]- # 19 (O) - [ -2.213607020000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, -2.213607020000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -2.019433940000000 ]- # 20 (O) - [ -2.223550285669575, -0.004854592499484, 0.000000000000000 ] - [ 0.004854597500516, -2.223550294330425, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -1.953821930000000 ]- # 21 (O) - [ -2.297573215972692, -0.027297222321296, -0.096016815791563 ] - [ -0.027297222329038, -2.266053104027307, 0.166305996656240 ] - [ -0.066887013938982, 0.115851713499331, -2.369831370000000 ]- # 22 (O) - [ -2.189861442552884, 0.007491291472846, -0.089097831372584 ] - [ 0.007491291474970, -2.198511637447116, 0.154321969207538 ] - [ -0.054392716020451, 0.094210952297594, -2.486157600000000 ]- # 23 (O) - [ -2.250293044027308, 0.000000002327102, -0.192033625791563 ] - [ 0.000000002323231, -2.313333275972692, -0.000000003343760 ] - [ -0.133774033938982, 0.000000003499331, -2.369831370000000 ]- # 24 (O) - [ -2.189861442552884, 0.007491291472846, 0.089097831372584 ] - [ 0.007491291474970, -2.198511637447116, -0.154321969207538 ] - [ 0.054392716020451, -0.094210952297594, -2.486157600000000 ]- # 25 (O) - [ -2.297573215972692, -0.027297222321296, 0.096016815791563 ] - [ -0.027297222329038, -2.266053104027307, -0.166305996656240 ] - [ 0.066887013938982, -0.115851713499331, -2.369831370000000 ]- # 26 (O) - [ -2.202836737447116, -0.000000001474439, -0.178195661372584 ] - [ -0.000000001473377, -2.185536342552884, -0.000000000792462 ] - [ -0.108785436020451, 0.000000002297594, -2.486157600000000 ]- # 27 (O) - [ -2.223550285669575, 0.004854592499484, 0.000000000000000 ] - [ -0.004854597500516, -2.223550294330425, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -1.953821930000000 ]- # 28 (O) - [ -2.223550294330425, -0.004854592499484, 0.000000000000000 ] - [ 0.004854597500516, -2.223550285669575, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -1.953821930000000 ]- # 29 (O) - [ -2.202836737447116, -0.000000001474439, 0.178195661372584 ] - [ -0.000000001473377, -2.185536342552884, 0.000000000792462 ] - [ 0.108785436020451, -0.000000002297594, -2.486157600000000 ]- # 30 (O) - [ -2.250293044027308, 0.000000002327102, 0.192033625791563 ] - [ 0.000000002323231, -2.313333275972692, 0.000000003343760 ] - [ 0.133774033938982, -0.000000003499331, -2.369831370000000 ]dielectric_constant: - [ 4.195343310000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 4.195343310000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 4.226380720000000 ]displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.1874070400000000, 0.0000423400000000, -0.0001635900000000 ] - [ 0.0095590700000000, -0.0002618200000000, 0.0001489200000000 ] - [ 0.0005311100000000, -0.0049603000000000, -0.0002034200000000 ] - [ 0.0009804200000000, 0.0052158800000000, 0.0000917600000000 ] - [ 0.0227000700000000, 0.0198436900000000, 0.0021280700000000 ] - [ 0.0227040800000000, -0.0206467400000000, -0.0082167600000000 ] - [ 0.0035109400000000, 0.0001741900000000, -0.0000460000000000 ] - [ -0.0123721000000000, -0.0001215400000000, 0.0058941700000000 ] - [ 0.0000275400000000, 0.0007632200000000, -0.0006406700000000 ] - [ -0.0000231700000000, -0.0006730800000000, 0.0013551000000000 ] - [ 0.0011322900000000, 0.0000222500000000, -0.0000454100000000 ] - [ -0.0012482200000000, 0.0000690600000000, -0.0008546300000000 ] - [ -0.0025404000000000, -0.0000812700000000, -0.0000031100000000 ] - [ 0.0024525200000000, 0.0000476000000000, 0.0001728600000000 ] - [ 0.0001644400000000, -0.0012782500000000, -0.0000714900000000 ] - [ 0.0001631100000000, 0.0013679300000000, -0.0000667300000000 ] - [ -0.0000504700000000, -0.0007436700000000, 0.0009975100000000 ] - [ 0.0000610300000000, 0.0006713600000000, -0.0001581600000000 ] - [ -0.0012270500000000, 0.0000784600000000, -0.0008103600000000 ] - [ 0.0011120600000000, -0.0000043500000000, 0.0000113100000000 ] - [ 0.0247619700000000, -0.0213690200000000, -0.0034294400000000 ] - [ 0.0250217300000000, 0.0223992700000000, -0.0020695200000000 ] - [ -0.0130150100000000, 0.0004324800000000, 0.0055481800000000 ] - [ 0.0035214500000000, 0.0001056100000000, 0.0000133100000000 ] - [ -0.0016030500000000, 0.0013252700000000, 0.0203941600000000 ] - [ 0.0028836900000000, -0.0000630100000000, -0.0035072800000000 ] - [ 0.0004867700000000, -0.0010897400000000, 0.0000296600000000 ] - [ 0.0007258000000000, 0.0012240500000000, -0.0001881500000000 ] - [ -0.0027386100000000, -0.0008541500000000, -0.0118110900000000 ] - [ 0.0044777100000000, -0.0000760300000000, 0.0014683000000000 ] - [ -0.0030114500000000, -0.0038695700000000, 0.0017847000000000 ] - [ 0.0014690400000000, 0.0024066900000000, -0.0010793700000000 ] - [ 0.0037778300000000, -0.0002926500000000, 0.0012335300000000 ] - [ -0.0033090700000000, 0.0008545300000000, -0.0110980000000000 ] - [ -0.0030589900000000, 0.0033104700000000, 0.0019558600000000 ] - [ 0.0013709900000000, -0.0023203400000000, -0.0013090100000000 ] - [ -0.0040845100000000, 0.0011477100000000, -0.0133998400000000 ] - [ 0.0039819900000000, -0.0002788000000000, 0.0012046200000000 ] - [ 0.0014295300000000, -0.0025888800000000, -0.0012112500000000 ] - [ -0.0030476400000000, 0.0037082100000000, 0.0021638800000000 ] - [ 0.0035518100000000, -0.0000731500000000, -0.0038731000000000 ] - [ -0.0017984200000000, 0.0012891600000000, 0.0253188700000000 ] - [ 0.0007919800000000, 0.0012876400000000, -0.0002047400000000 ] - [ 0.0004172300000000, -0.0011423800000000, -0.0000727000000000 ] - [ -0.0020282200000000, -0.0003740800000000, -0.0092883800000000 ] - [ 0.0041468300000000, 0.0000114400000000, 0.0015310000000000 ] - [ -0.0029815000000000, -0.0035243200000000, 0.0015721800000000 ] - [ 0.0014665400000000, 0.0021556100000000, -0.0012301000000000 ] - [ 0.0014433000000000, 0.0000531800000000, -0.0008138400000000 ] - [ -0.0010299100000000, -0.0000068500000000, 0.0008094400000000 ] - [ -0.0002121700000000, 0.0003490000000000, 0.0002698400000000 ] - [ -0.0000499700000000, -0.0002057400000000, 0.0004269700000000 ] - [ 0.0181015200000000, -0.0009728700000000, 0.0005906100000000 ] - [ -0.0064681300000000, 0.0000520500000000, 0.0029506600000000 ] - [ 0.0006031900000000, 0.0002651400000000, -0.0009881200000000 ] - [ -0.0000025600000000, -0.0003554900000000, -0.0001563600000000 ] - [ 0.0011482800000000, -0.0002520400000000, 0.0002382200000000 ] - [ -0.0014136400000000, 0.0000443300000000, -0.0009167600000000 ] - [ 0.0009902300000000, 0.0011514800000000, -0.0002424100000000 ] - [ -0.0004986000000000, -0.0009213700000000, 0.0005152200000000 ] - [ 0.0173517900000000, -0.0088249200000000, -0.0023659400000000 ] - [ -0.0048165000000000, -0.0005143300000000, -0.0002792800000000 ] - [ 0.0010778600000000, 0.0059183700000000, -0.0015139500000000 ] - [ -0.0028331100000000, -0.0040054300000000, 0.0017652100000000 ] - [ 0.0190678400000000, 0.0002057100000000, 0.0000162600000000 ] - [ -0.0036061600000000, 0.0001065700000000, 0.0001411600000000 ] - [ 0.0000087800000000, 0.0019100400000000, -0.0002112300000000 ] - [ -0.0002419700000000, -0.0021291700000000, -0.0001058400000000 ] - [ -0.0035910800000000, -0.0065226500000000, -0.0039243200000000 ] - [ -0.0021496800000000, 0.0010208900000000, 0.0028274400000000 ] - [ -0.0015681400000000, 0.0008272900000000, -0.0000184100000000 ] - [ 0.0036488800000000, -0.0039945800000000, 0.0010481800000000 ] - [ -0.0022907300000000, -0.0009509600000000, 0.0027562500000000 ] - [ -0.0028415200000000, 0.0051091800000000, -0.0044453800000000 ] - [ -0.0014000900000000, -0.0008244500000000, -0.0000222000000000 ] - [ 0.0026966600000000, 0.0025725100000000, 0.0016167900000000 ] - [ 0.0096430000000000, 0.0001686500000000, -0.0000655500000000 ] - [ -0.0028448300000000, 0.0000055700000000, 0.0001303000000000 ] - [ 0.0000494800000000, 0.0015020700000000, -0.0002144900000000 ] - [ -0.0000994600000000, -0.0017524900000000, -0.0000739100000000 ] - [ -0.0014754000000000, -0.0000739800000000, -0.0006954000000000 ] - [ 0.0009743300000000, 0.0002159300000000, 0.0004685300000000 ] - [ 0.0009070500000000, -0.0011847700000000, -0.0005066700000000 ] - [ -0.0004941000000000, 0.0009903200000000, 0.0004453600000000 ] - [ -0.0048643400000000, 0.0010113800000000, -0.0006749200000000 ] - [ 0.0165116500000000, 0.0027335600000000, -0.0004251900000000 ] - [ 0.0015101700000000, -0.0038528500000000, -0.0013558700000000 ] - [ -0.0022952700000000, 0.0035876700000000, 0.0003673400000000 ] - [ 0.0213365500000000, 0.0105745100000000, -0.0022356000000000 ] - [ -0.0050457200000000, 0.0012057300000000, -0.0006984700000000 ] - [ -0.0025350100000000, 0.0037057000000000, 0.0005269500000000 ] - [ 0.0018070100000000, -0.0047969300000000, -0.0013519700000000 ] - [ -0.0010304100000000, -0.0000516200000000, 0.0009739900000000 ] - [ 0.0016484800000000, 0.0000571300000000, -0.0004365100000000 ] - [ -0.0000839600000000, -0.0003209100000000, 0.0004061500000000 ] - [ -0.0001830000000000, 0.0002904300000000, 0.0002316600000000 ] - [ -0.0078244400000000, -0.0000145000000000, 0.0029064200000000 ] - [ 0.0380573300000000, -0.0026638900000000, 0.0053933500000000 ] - [ -0.0000487400000000, -0.0003232400000000, -0.0002103900000000 ] - [ 0.0005453800000000, 0.0005659000000000, -0.0010265100000000 ] - [ 0.0009781200000000, 0.0002996200000000, 0.0002922600000000 ] - [ -0.0015234300000000, -0.0000402700000000, -0.0006910300000000 ] - [ -0.0005711200000000, 0.0010149300000000, 0.0005691300000000 ] - [ 0.0008899400000000, -0.0011971300000000, -0.0006794300000000 ] - [ -0.0029887400000000, 0.0048881300000000, -0.0041387000000000 ] - [ -0.0022953300000000, -0.0009511400000000, 0.0024883500000000 ] - [ 0.0024007100000000, 0.0025559200000000, 0.0014879200000000 ] - [ -0.0013275800000000, -0.0008428200000000, -0.0000535100000000 ] - [ -0.0023384300000000, 0.0012730500000000, 0.0027779100000000 ] - [ -0.0035566700000000, -0.0068277000000000, -0.0042835200000000 ] - [ 0.0040855500000000, -0.0038370300000000, 0.0013200300000000 ] - [ -0.0015789500000000, 0.0008222600000000, -0.0000572500000000 ] - [ 0.0147169100000000, -0.0014964700000000, -0.0007247000000000 ] - [ -0.0044210300000000, -0.0003647900000000, -0.0001437900000000 ] - [ 0.0010465800000000, 0.0049934500000000, -0.0015210700000000 ] - [ -0.0026424600000000, -0.0041015900000000, 0.0017325500000000 ] - [ 0.0010118000000000, -0.0002817100000000, 0.0003974500000000 ] - [ -0.0013719700000000, 0.0000092500000000, -0.0008171700000000 ] - [ 0.0008951200000000, 0.0010863100000000, -0.0002462200000000 ] - [ -0.0005357600000000, -0.0009535000000000, 0.0004783300000000 ]- atom: 1 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.1865116200000000, 0.0000428300000000, -0.0001301700000000 ] - [ -0.0095607500000000, 0.0002601900000000, -0.0001305200000000 ] - [ -0.0005262100000000, 0.0049445100000000, 0.0002277900000000 ] - [ -0.0009791100000000, -0.0052113800000000, -0.0000663200000000 ] - [ -0.0229227800000000, -0.0200931600000000, -0.0022716600000000 ] - [ -0.0224346200000000, 0.0203687700000000, 0.0080219900000000 ] - [ -0.0035081700000000, -0.0001603900000000, -0.0000453300000000 ] - [ 0.0123495900000000, -0.0000016500000000, -0.0059463900000000 ] - [ -0.0000086200000000, -0.0007604400000000, 0.0005434500000000 ] - [ 0.0000086800000000, 0.0006804700000000, -0.0014406100000000 ] - [ -0.0011284400000000, -0.0000118900000000, -0.0000458500000000 ] - [ 0.0012403800000000, -0.0000768500000000, 0.0007558200000000 ] - [ 0.0025335300000000, 0.0000825700000000, -0.0000056800000000 ] - [ -0.0024520200000000, -0.0000410300000000, -0.0001494700000000 ] - [ -0.0001637100000000, 0.0012744300000000, 0.0000921000000000 ] - [ -0.0001629300000000, -0.0013633000000000, 0.0000875700000000 ] - [ 0.0000712900000000, 0.0007470900000000, -0.0009812300000000 ] - [ -0.0000686600000000, -0.0006753400000000, 0.0001793300000000 ] - [ 0.0012252700000000, -0.0000676400000000, 0.0008255500000000 ] - [ -0.0011070600000000, -0.0000051400000000, 0.0000097600000000 ] - [ -0.0250057400000000, 0.0216447700000000, 0.0034813400000000 ] - [ -0.0247446100000000, -0.0220956900000000, 0.0020772500000000 ] - [ 0.0129975600000000, -0.0003084600000000, -0.0055141900000000 ] - [ -0.0035180600000000, -0.0001260700000000, 0.0000111900000000 ] - [ 0.0015914900000000, -0.0013216200000000, -0.0204792800000000 ] - [ -0.0028817500000000, 0.0000689400000000, 0.0034910000000000 ] - [ -0.0004842000000000, 0.0011025800000000, -0.0000155500000000 ] - [ -0.0007236300000000, -0.0012254900000000, 0.0002052100000000 ] - [ 0.0028175100000000, 0.0007888800000000, 0.0117689400000000 ] - [ -0.0044671800000000, 0.0000770900000000, -0.0014383800000000 ] - [ 0.0029879900000000, 0.0038526400000000, -0.0017564900000000 ] - [ -0.0014643400000000, -0.0024080300000000, 0.0011044600000000 ] - [ -0.0037733600000000, 0.0003341500000000, -0.0012050300000000 ] - [ 0.0032869000000000, -0.0008231100000000, 0.0111428200000000 ] - [ 0.0030684400000000, -0.0032771500000000, -0.0019242900000000 ] - [ -0.0013692700000000, 0.0023543600000000, 0.0013341800000000 ] - [ 0.0041263400000000, -0.0011019600000000, 0.0134043000000000 ] - [ -0.0040048700000000, 0.0002498900000000, -0.0011577900000000 ] - [ -0.0014550700000000, 0.0025637400000000, 0.0012544900000000 ] - [ 0.0029914100000000, -0.0037155400000000, -0.0021165400000000 ] - [ -0.0035449400000000, 0.0000402200000000, 0.0039507000000000 ] - [ 0.0017143800000000, -0.0013137200000000, -0.0250640800000000 ] - [ -0.0007913000000000, -0.0013099600000000, 0.0002398300000000 ] - [ -0.0004145800000000, 0.0010889000000000, 0.0001087300000000 ] - [ 0.0020308100000000, 0.0004083800000000, 0.0093448400000000 ] - [ -0.0041156800000000, 0.0000051100000000, -0.0015034900000000 ] - [ 0.0030221500000000, 0.0035480700000000, -0.0015427800000000 ] - [ -0.0014359900000000, -0.0021334600000000, 0.0012555000000000 ] - [ -0.0014312300000000, -0.0000163500000000, 0.0008483100000000 ] - [ 0.0010547700000000, 0.0000431700000000, -0.0007657200000000 ] - [ 0.0002328600000000, -0.0003197800000000, -0.0002371600000000 ] - [ 0.0000725900000000, 0.0002429700000000, -0.0003910700000000 ] - [ -0.0198207900000000, 0.0010115300000000, -0.0015630200000000 ] - [ 0.0063896600000000, -0.0001278100000000, -0.0028842000000000 ] - [ -0.0006445900000000, -0.0003564100000000, 0.0010272000000000 ] - [ -0.0000371100000000, 0.0002871600000000, 0.0001947400000000 ] - [ -0.0011204200000000, 0.0003495400000000, -0.0001695700000000 ] - [ 0.0014568700000000, 0.0000323300000000, 0.0009475600000000 ] - [ -0.0009398700000000, -0.0010743300000000, 0.0002830300000000 ] - [ 0.0005420200000000, 0.0009960700000000, -0.0004771700000000 ] - [ -0.0174985000000000, 0.0091795100000000, 0.0025626700000000 ] - [ 0.0047830300000000, 0.0004711500000000, 0.0003065400000000 ] - [ -0.0010818000000000, -0.0059214300000000, 0.0015431100000000 ] - [ 0.0028155900000000, 0.0039836900000000, -0.0017411700000000 ] - [ -0.0190196800000000, -0.0001765500000000, 0.0000200900000000 ] - [ 0.0036296000000000, -0.0000713600000000, -0.0002628100000000 ] - [ 0.0000090400000000, -0.0018750700000000, 0.0000969600000000 ] - [ 0.0002572600000000, 0.0021583100000000, -0.0000059900000000 ] - [ 0.0035801900000000, 0.0064915900000000, 0.0038990800000000 ] - [ 0.0021528200000000, -0.0010520000000000, -0.0028552200000000 ] - [ 0.0015462700000000, -0.0008718500000000, -0.0000187800000000 ] - [ -0.0036792200000000, 0.0039608100000000, -0.0010953100000000 ] - [ 0.0022766300000000, 0.0009902500000000, -0.0027997600000000 ] - [ 0.0028461600000000, -0.0050507900000000, 0.0043742700000000 ] - [ 0.0014113700000000, 0.0008514500000000, -0.0000231500000000 ] - [ -0.0026594900000000, -0.0025107700000000, -0.0016471300000000 ] - [ -0.0096895800000000, -0.0001849400000000, -0.0000634800000000 ] - [ 0.0028220100000000, -0.0000324200000000, -0.0002284600000000 ] - [ -0.0000632800000000, -0.0015307600000000, 0.0001081300000000 ] - [ 0.0000818000000000, 0.0017198500000000, -0.0000325000000000 ] - [ 0.0014908700000000, 0.0000362800000000, 0.0007342000000000 ] - [ -0.0009479900000000, -0.0002472300000000, -0.0004286800000000 ] - [ -0.0008929700000000, 0.0011463700000000, 0.0005427000000000 ] - [ 0.0005135700000000, -0.0010262800000000, -0.0004084800000000 ] - [ 0.0048166300000000, -0.0009382900000000, 0.0007176300000000 ] - [ -0.0162966500000000, -0.0023327200000000, 0.0002594300000000 ] - [ -0.0015693800000000, 0.0039364000000000, 0.0013957600000000 ] - [ 0.0022391700000000, -0.0034881700000000, -0.0003215300000000 ] - [ -0.0216698300000000, -0.0112381400000000, 0.0025556200000000 ] - [ 0.0050749900000000, -0.0011935300000000, 0.0007231900000000 ] - [ 0.0025790800000000, -0.0037184900000000, -0.0005086200000000 ] - [ -0.0017439200000000, 0.0047745600000000, 0.0013808300000000 ] - [ 0.0010689900000000, -0.0000256900000000, -0.0009392300000000 ] - [ -0.0015751500000000, -0.0001334400000000, 0.0004818900000000 ] - [ 0.0001270100000000, 0.0002345700000000, -0.0003697500000000 ] - [ 0.0002255400000000, -0.0003670600000000, -0.0001929900000000 ] - [ 0.0078643800000000, 0.0000555900000000, -0.0028899400000000 ] - [ -0.0353890300000000, 0.0024998800000000, -0.0043394400000000 ] - [ 0.0000253000000000, 0.0003418000000000, 0.0002425500000000 ] - [ -0.0005658300000000, -0.0005118000000000, 0.0010574000000000 ] - [ -0.0010817300000000, -0.0003212100000000, -0.0002239400000000 ] - [ 0.0014319800000000, 0.0000420800000000, 0.0007260600000000 ] - [ 0.0004771500000000, -0.0010168500000000, -0.0005249200000000 ] - [ -0.0009749200000000, 0.0011923100000000, 0.0007148800000000 ] - [ 0.0029714100000000, -0.0049072200000000, 0.0040363000000000 ] - [ 0.0022917800000000, 0.0009122900000000, -0.0025924300000000 ] - [ -0.0024233300000000, -0.0025967300000000, -0.0016013300000000 ] - [ 0.0013118500000000, 0.0008180800000000, -0.0000515900000000 ] - [ 0.0023170300000000, -0.0012578100000000, -0.0028961000000000 ] - [ 0.0035514000000000, 0.0068190600000000, 0.0041417300000000 ] - [ -0.0040505100000000, 0.0038451400000000, -0.0014260400000000 ] - [ 0.0015978400000000, -0.0007872300000000, -0.0000560000000000 ] - [ -0.0145376000000000, 0.0013762300000000, 0.0007233300000000 ] - [ 0.0045126000000000, 0.0003750800000000, 0.0001877500000000 ] - [ -0.0009664200000000, -0.0050039500000000, 0.0015568400000000 ] - [ 0.0027241900000000, 0.0040774600000000, -0.0016752800000000 ] - [ -0.0010462300000000, 0.0002769800000000, -0.0003656200000000 ] - [ 0.0013279800000000, -0.0000081900000000, 0.0008591200000000 ] - [ -0.0009384100000000, -0.0010875400000000, 0.0002830900000000 ] - [ 0.0004965000000000, 0.0009505400000000, -0.0004454600000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.1157097500000000 ] - [ 0.0001396700000000, 0.0001706700000000, -0.0019755800000000 ] - [ -0.0002176400000000, 0.0000356200000000, -0.0019755800000000 ] - [ 0.0000779700000000, -0.0002062900000000, -0.0019755800000000 ] - [ 0.0020411500000000, 0.0074378600000000, -0.0118746100000000 ] - [ -0.0074619400000000, -0.0019512400000000, -0.0118746100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014487000000000 ] - [ 0.0054208000000000, -0.0054866100000000, -0.0118746100000000 ] - [ -0.0011233300000000, 0.0003083200000000, 0.0036331500000000 ] - [ 0.0002946500000000, -0.0011269900000000, 0.0036331500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013215400000000 ] - [ 0.0008286700000000, 0.0008186700000000, 0.0036331500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0118852000000000 ] - [ -0.0001606000000000, 0.0000026800000000, 0.0015785700000000 ] - [ 0.0000779800000000, -0.0001404200000000, 0.0015785700000000 ] - [ 0.0000826200000000, 0.0001377400000000, 0.0015785700000000 ] - [ -0.0009992600000000, -0.0003677300000000, 0.0037479700000000 ] - [ 0.0001811700000000, 0.0010492500000000, 0.0037479700000000 ] - [ 0.0008180900000000, -0.0006815200000000, 0.0037479700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014209000000000 ] - [ -0.0020251200000000, -0.0052155300000000, -0.0126164200000000 ] - [ -0.0035042200000000, 0.0043615700000000, -0.0126164200000000 ] - [ 0.0055293400000000, 0.0008539600000000, -0.0126164200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014478200000000 ] - [ 0.0112807000000000, 0.0005421700000000, 0.0138361900000000 ] - [ -0.0024034100000000, -0.0001361200000000, 0.0008854300000000 ] - [ -0.0007078500000000, 0.0016261500000000, 0.0002805500000000 ] - [ -0.0008877500000000, -0.0016058900000000, 0.0004810000000000 ] - [ -0.0106716400000000, 0.0178544000000000, 0.0138642100000000 ] - [ 0.0019765200000000, 0.0001096300000000, 0.0000212600000000 ] - [ 0.0015037700000000, -0.0023294800000000, 0.0001966000000000 ] - [ -0.0011064100000000, -0.0015073800000000, -0.0002260700000000 ] - [ 0.0017622200000000, -0.0002000600000000, 0.0002805500000000 ] - [ -0.0051708100000000, -0.0100404600000000, 0.0138361900000000 ] - [ 0.0010838200000000, 0.0021494700000000, 0.0008854300000000 ] - [ -0.0009468600000000, 0.0015717600000000, 0.0004810000000000 ] - [ -0.0101265400000000, -0.0181691100000000, 0.0138642100000000 ] - [ 0.0018586300000000, -0.0002044800000000, -0.0002260700000000 ] - [ -0.0010832000000000, 0.0016569000000000, 0.0000212600000000 ] - [ 0.0012655000000000, 0.0024670500000000, 0.0001966000000000 ] - [ -0.0027692700000000, -0.0001375700000000, 0.0001966000000000 ] - [ 0.0207981900000000, 0.0003147100000000, 0.0138642100000000 ] - [ -0.0008933200000000, -0.0017665300000000, 0.0000212600000000 ] - [ -0.0007522300000000, 0.0017118700000000, -0.0002260700000000 ] - [ -0.0061098900000000, 0.0094982900000000, 0.0138361900000000 ] - [ 0.0018346100000000, 0.0000341300000000, 0.0004810000000000 ] - [ 0.0013195900000000, -0.0020133500000000, 0.0008854300000000 ] - [ -0.0010543600000000, -0.0014261000000000, 0.0002805500000000 ] - [ -0.0013722500000000, -0.0002066600000000, -0.0041670500000000 ] - [ 0.0000193400000000, -0.0001477800000000, -0.0021540500000000 ] - [ 0.0001505900000000, -0.0002037900000000, -0.0014293000000000 ] - [ 0.0000831700000000, 0.0001412300000000, -0.0015774100000000 ] - [ 0.0081942000000000, -0.0008094300000000, 0.0187069100000000 ] - [ 0.0010060200000000, -0.0000253700000000, 0.0029344900000000 ] - [ -0.0002007600000000, -0.0006315600000000, 0.0017081000000000 ] - [ -0.0000901700000000, 0.0001148800000000, 0.0013776300000000 ] - [ 0.0016235400000000, -0.0021385600000000, -0.0064106400000000 ] - [ -0.0003487700000000, 0.0000258300000000, -0.0012939800000000 ] - [ -0.0000674400000000, 0.0004772700000000, -0.0017190200000000 ] - [ 0.0002589600000000, 0.0004887700000000, -0.0012208100000000 ] - [ -0.0024733300000000, 0.0058877500000000, 0.0177275200000000 ] - [ 0.0003387800000000, -0.0002036700000000, 0.0017465100000000 ] - [ -0.0003884500000000, 0.0006848100000000, 0.0035960900000000 ] - [ 0.0004459000000000, -0.0002256700000000, 0.0021914900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0061675500000000 ] - [ -0.0000585100000000, 0.0000797400000000, 0.0001975500000000 ] - [ -0.0000398100000000, -0.0000905400000000, 0.0001975500000000 ] - [ 0.0000983100000000, 0.0000108000000000, 0.0001975500000000 ] - [ -0.0030698300000000, -0.0034285400000000, -0.0010267000000000 ] - [ 0.0045041100000000, -0.0009442800000000, -0.0010267000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000008600000000 ] - [ -0.0014342800000000, 0.0043728200000000, -0.0010267000000000 ] - [ 0.0033576600000000, 0.0011246500000000, -0.0012191500000000 ] - [ -0.0026528100000000, 0.0023454900000000, -0.0012191500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000628800000000 ] - [ -0.0007048500000000, -0.0034701400000000, -0.0012191500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0133620400000000 ] - [ -0.0000148900000000, 0.0000543400000000, -0.0003022900000000 ] - [ -0.0000396200000000, -0.0000400600000000, -0.0003022900000000 ] - [ 0.0000545100000000, -0.0000142800000000, -0.0003022900000000 ] - [ -0.0002517800000000, -0.0000285200000000, -0.0014293000000000 ] - [ 0.0005071600000000, 0.0012917400000000, -0.0041670500000000 ] - [ -0.0001376500000000, 0.0000571400000000, -0.0021540500000000 ] - [ 0.0000807200000000, -0.0001426400000000, -0.0015774100000000 ] - [ -0.0004465700000000, 0.0004896500000000, 0.0017081000000000 ] - [ -0.0047980800000000, -0.0066916700000000, 0.0187069100000000 ] - [ -0.0005249800000000, -0.0008585500000000, 0.0029344900000000 ] - [ 0.0001445800000000, 0.0000206500000000, 0.0013776300000000 ] - [ -0.0038622800000000, -0.0050858400000000, 0.0177275200000000 ] - [ -0.0000275200000000, 0.0004990000000000, 0.0021914900000000 ] - [ 0.0000069900000000, 0.0003952200000000, 0.0017465100000000 ] - [ -0.0003988400000000, -0.0006788100000000, 0.0035960900000000 ] - [ 0.0004470500000000, -0.0001802300000000, -0.0017190200000000 ] - [ -0.0026638200000000, -0.0003367500000000, -0.0064106400000000 ] - [ 0.0001967500000000, 0.0002891300000000, -0.0012939800000000 ] - [ 0.0002938000000000, -0.0004686500000000, -0.0012208100000000 ] - [ 0.0007872800000000, -0.0000060000000000, 0.0035960900000000 ] - [ 0.0063356100000000, -0.0008019100000000, 0.0177275200000000 ] - [ -0.0003457700000000, -0.0001915500000000, 0.0017465100000000 ] - [ -0.0004183800000000, -0.0002733300000000, 0.0021914900000000 ] - [ 0.0010402800000000, 0.0024753100000000, -0.0064106400000000 ] - [ -0.0005527700000000, -0.0000201100000000, -0.0012208100000000 ] - [ 0.0001520200000000, -0.0003149600000000, -0.0012939800000000 ] - [ -0.0003796000000000, -0.0002970400000000, -0.0017190200000000 ] - [ -0.0024092400000000, 0.0025405900000000, -0.0020992000000000 ] - [ 0.0034048400000000, 0.0008161600000000, -0.0020992000000000 ] - [ -0.0009956000000000, -0.0033567600000000, -0.0020992000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003018200000000 ] - [ 0.0040564000000000, -0.0013136900000000, -0.0002828100000000 ] - [ -0.0031658900000000, -0.0028561000000000, -0.0002828100000000 ] - [ -0.0008905100000000, 0.0041697900000000, -0.0002828100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001903000000000 ] - [ -0.0033961100000000, 0.0075011000000000, 0.0187069100000000 ] - [ -0.0000544000000000, -0.0001355300000000, 0.0013776300000000 ] - [ -0.0004810400000000, 0.0008839200000000, 0.0029344900000000 ] - [ 0.0006473300000000, 0.0001419100000000, 0.0017081000000000 ] - [ 0.0008651000000000, -0.0010850800000000, -0.0041670500000000 ] - [ -0.0001638900000000, 0.0000014100000000, -0.0015774100000000 ] - [ 0.0001183200000000, 0.0000906400000000, -0.0021540500000000 ] - [ 0.0001011900000000, 0.0002323000000000, -0.0014293000000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.1142193800000000 ] - [ -0.0001385600000000, -0.0001700300000000, 0.0020033700000000 ] - [ 0.0002165300000000, -0.0000349900000000, 0.0020033700000000 ] - [ -0.0000779700000000, 0.0002050100000000, 0.0020033700000000 ] - [ -0.0019705600000000, -0.0074007800000000, 0.0118475800000000 ] - [ 0.0073945400000000, 0.0019938300000000, 0.0118475800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013626300000000 ] - [ -0.0054239800000000, 0.0054069400000000, 0.0118475800000000 ] - [ 0.0011017600000000, -0.0003191400000000, -0.0037282800000000 ] - [ -0.0002745000000000, 0.0011137300000000, -0.0037282800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014147800000000 ] - [ -0.0008272700000000, -0.0007945800000000, -0.0037282800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0119148500000000 ] - [ 0.0001604300000000, -0.0000037900000000, -0.0015544200000000 ] - [ -0.0000769300000000, 0.0001408300000000, -0.0015544200000000 ] - [ -0.0000835000000000, -0.0001370400000000, -0.0015544200000000 ] - [ 0.0009787700000000, 0.0003808800000000, -0.0037262900000000 ] - [ -0.0001595400000000, -0.0010380800000000, -0.0037262900000000 ] - [ -0.0008192400000000, 0.0006572000000000, -0.0037262900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013957400000000 ] - [ 0.0021247800000000, 0.0051625000000000, 0.0126582600000000 ] - [ 0.0034084600000000, -0.0044213600000000, 0.0126582600000000 ] - [ -0.0055332400000000, -0.0007411300000000, 0.0126582600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014761700000000 ] - [ -0.0114476400000000, -0.0005598500000000, -0.0138537700000000 ] - [ 0.0024067500000000, 0.0001190000000000, -0.0008471700000000 ] - [ 0.0007033600000000, -0.0016480000000000, -0.0002401500000000 ] - [ 0.0008819400000000, 0.0015949900000000, -0.0004437100000000 ] - [ 0.0105740900000000, -0.0176389500000000, -0.0138000900000000 ] - [ -0.0019653700000000, -0.0000947200000000, -0.0000048500000000 ] - [ -0.0014915500000000, 0.0023384400000000, -0.0001840700000000 ] - [ 0.0011145000000000, 0.0015216000000000, 0.0002402800000000 ] - [ -0.0017788900000000, 0.0002148800000000, -0.0002401500000000 ] - [ 0.0052389700000000, 0.0101938800000000, -0.0138537700000000 ] - [ -0.0011003200000000, -0.0021438000000000, -0.0008471700000000 ] - [ 0.0009403300000000, -0.0015612800000000, -0.0004437100000000 ] - [ 0.0099887400000000, 0.0179769100000000, -0.0138000900000000 ] - [ -0.0018750000000000, 0.0002043900000000, 0.0002402800000000 ] - [ 0.0010647100000000, -0.0016547000000000, -0.0000048500000000 ] - [ -0.0012793800000000, -0.0024609400000000, -0.0001840700000000 ] - [ 0.0027709300000000, 0.0001225000000000, -0.0001840700000000 ] - [ -0.0205628300000000, -0.0003379500000000, -0.0138000900000000 ] - [ 0.0009006500000000, 0.0017494200000000, -0.0000048500000000 ] - [ 0.0007604900000000, -0.0017259900000000, 0.0002402800000000 ] - [ 0.0062086700000000, -0.0096340200000000, -0.0138537700000000 ] - [ -0.0018222800000000, -0.0000337100000000, -0.0004437100000000 ] - [ -0.0013064300000000, 0.0020248100000000, -0.0008471700000000 ] - [ 0.0010755300000000, 0.0014331200000000, -0.0002401500000000 ] - [ 0.0014241000000000, 0.0002437400000000, 0.0042131700000000 ] - [ -0.0000047100000000, 0.0001852800000000, 0.0021816900000000 ] - [ -0.0001305400000000, 0.0002482900000000, 0.0014623600000000 ] - [ -0.0000650400000000, -0.0001066000000000, 0.0016058300000000 ] - [ -0.0089539800000000, 0.0007861500000000, -0.0189247700000000 ] - [ -0.0010497600000000, -0.0000565000000000, -0.0029103800000000 ] - [ 0.0001587900000000, 0.0005413600000000, -0.0016804200000000 ] - [ 0.0000437800000000, -0.0001870700000000, -0.0013463200000000 ] - [ -0.0015660900000000, 0.0022030200000000, 0.0064395100000000 ] - [ 0.0003901400000000, 0.0000502500000000, 0.0013470300000000 ] - [ 0.0001112600000000, -0.0003923400000000, 0.0017789100000000 ] - [ -0.0002125400000000, -0.0004055000000000, 0.0012670600000000 ] - [ 0.0023343000000000, -0.0056704700000000, -0.0175557000000000 ] - [ -0.0003567100000000, 0.0001665100000000, -0.0017151700000000 ] - [ 0.0003719800000000, -0.0007270700000000, -0.0035640400000000 ] - [ -0.0004797500000000, 0.0001832500000000, -0.0021559300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0047773600000000 ] - [ 0.0000531600000000, -0.0000856900000000, -0.0003016300000000 ] - [ 0.0000476300000000, 0.0000888800000000, -0.0003016300000000 ] - [ -0.0001007900000000, -0.0000031900000000, -0.0003016300000000 ] - [ 0.0030848400000000, 0.0034354900000000, 0.0009690800000000 ] - [ -0.0045176500000000, 0.0009538000000000, 0.0009690800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000503300000000 ] - [ 0.0014328000000000, -0.0043893000000000, 0.0009690800000000 ] - [ -0.0033576700000000, -0.0011219700000000, 0.0011982300000000 ] - [ 0.0026504900000000, -0.0023468400000000, 0.0011982300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000249100000000 ] - [ 0.0007071800000000, 0.0034688200000000, 0.0011982300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0134589800000000 ] - [ 0.0000149400000000, -0.0000576500000000, 0.0001870000000000 ] - [ 0.0000424500000000, 0.0000417700000000, 0.0001870000000000 ] - [ -0.0000574000000000, 0.0000158800000000, 0.0001870000000000 ] - [ 0.0002803000000000, -0.0000111000000000, 0.0014623600000000 ] - [ -0.0005009600000000, -0.0013551800000000, 0.0042131700000000 ] - [ 0.0001628100000000, -0.0000885600000000, 0.0021816900000000 ] - [ -0.0000597900000000, 0.0001096300000000, 0.0016058300000000 ] - [ 0.0003894400000000, -0.0004082000000000, -0.0016804200000000 ] - [ 0.0051578200000000, 0.0073613000000000, -0.0189247700000000 ] - [ 0.0004759500000000, 0.0009373600000000, -0.0029103800000000 ] - [ -0.0001839000000000, 0.0000556300000000, -0.0013463200000000 ] - [ 0.0037436200000000, 0.0048568000000000, -0.0175557000000000 ] - [ 0.0000811800000000, -0.0005071000000000, -0.0021559300000000 ] - [ 0.0000341600000000, -0.0003921800000000, -0.0017151700000000 ] - [ 0.0004436700000000, 0.0006856800000000, -0.0035640400000000 ] - [ -0.0003954000000000, 0.0000998100000000, 0.0017789100000000 ] - [ 0.0026909200000000, 0.0002547600000000, 0.0064395100000000 ] - [ -0.0001515500000000, -0.0003629900000000, 0.0013470300000000 ] - [ -0.0002449100000000, 0.0003868200000000, 0.0012670600000000 ] - [ -0.0008156500000000, 0.0000413900000000, -0.0035640400000000 ] - [ -0.0060779200000000, 0.0008136700000000, -0.0175557000000000 ] - [ 0.0003225600000000, 0.0002256700000000, -0.0017151700000000 ] - [ 0.0003985800000000, 0.0003238500000000, -0.0021559300000000 ] - [ -0.0011248300000000, -0.0024577800000000, 0.0064395100000000 ] - [ 0.0004574500000000, 0.0000186900000000, 0.0012670600000000 ] - [ -0.0002385800000000, 0.0003127500000000, 0.0013470300000000 ] - [ 0.0002841400000000, 0.0002925200000000, 0.0017789100000000 ] - [ 0.0024249200000000, -0.0025510000000000, 0.0019828300000000 ] - [ -0.0034216900000000, -0.0008245500000000, 0.0019828300000000 ] - [ 0.0009967700000000, 0.0033755500000000, 0.0019828300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001889400000000 ] - [ -0.0040631400000000, 0.0012991800000000, 0.0001932900000000 ] - [ 0.0031567000000000, 0.0028691900000000, 0.0001932900000000 ] - [ 0.0009064500000000, -0.0041683800000000, 0.0001932900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002928400000000 ] - [ 0.0037961700000000, -0.0081474500000000, -0.0189247700000000 ] - [ 0.0001401200000000, 0.0001314500000000, -0.0013463200000000 ] - [ 0.0005738100000000, -0.0008808700000000, -0.0029103800000000 ] - [ -0.0005482300000000, -0.0001331600000000, -0.0016804200000000 ] - [ -0.0009231400000000, 0.0011114300000000, 0.0042131700000000 ] - [ 0.0001248400000000, -0.0000030300000000, 0.0016058300000000 ] - [ -0.0001581000000000, -0.0000967200000000, 0.0021816900000000 ] - [ -0.0001497600000000, -0.0002372000000000, 0.0014623600000000 ]- atom: 5 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0229209500000000, 0.0204956100000000, 0.0020472800000000 ] - [ 0.0224377800000000, -0.0199692800000000, -0.0073637800000000 ] - [ 0.0035057600000000, -0.0001762900000000, 0.0000129900000000 ] - [ -0.0123524400000000, 0.0003959800000000, 0.0054172100000000 ] - [ -0.1792592600000000, 0.0000000000000000, -0.0003532900000000 ] - [ 0.0093680600000000, 0.0000000000000000, 0.0001886900000000 ] - [ 0.0008071400000000, -0.0049328500000000, -0.0001583000000000 ] - [ 0.0008071400000000, 0.0049328500000000, -0.0001583000000000 ] - [ -0.0023695100000000, 0.0000000000000000, -0.0000253100000000 ] - [ 0.0023243900000000, 0.0000000000000000, 0.0001263400000000 ] - [ 0.0001595700000000, -0.0012482700000000, -0.0001260400000000 ] - [ 0.0001595700000000, 0.0012482700000000, -0.0001260400000000 ] - [ -0.0000261800000000, 0.0007821400000000, -0.0002678200000000 ] - [ 0.0000253800000000, -0.0006583200000000, 0.0011226100000000 ] - [ 0.0011303500000000, 0.0000137300000000, 0.0000135300000000 ] - [ -0.0012396800000000, 0.0000409000000000, -0.0008105100000000 ] - [ -0.0012396800000000, -0.0000409000000000, -0.0008105100000000 ] - [ 0.0011303500000000, -0.0000137300000000, 0.0000135300000000 ] - [ -0.0000261800000000, -0.0007821400000000, -0.0002678200000000 ] - [ 0.0000253800000000, 0.0006583200000000, 0.0011226100000000 ] - [ -0.0123524400000000, -0.0003959800000000, 0.0054172100000000 ] - [ 0.0035057600000000, 0.0001762900000000, 0.0000129900000000 ] - [ 0.0229209500000000, -0.0204956100000000, 0.0020472800000000 ] - [ 0.0224377800000000, 0.0199692800000000, -0.0073637800000000 ] - [ -0.0035181800000000, 0.0009270100000000, -0.0129545900000000 ] - [ 0.0040206200000000, -0.0001949100000000, 0.0012655900000000 ] - [ 0.0013314500000000, -0.0023040700000000, -0.0011306800000000 ] - [ -0.0026288300000000, 0.0035763200000000, 0.0021426400000000 ] - [ -0.0031658800000000, 0.0033951500000000, 0.0016228800000000 ] - [ 0.0014303400000000, -0.0023015200000000, -0.0011968900000000 ] - [ 0.0040030800000000, -0.0000599000000000, 0.0013494500000000 ] - [ -0.0022499200000000, 0.0008183900000000, -0.0094681300000000 ] - [ -0.0026288300000000, -0.0035763200000000, 0.0021426400000000 ] - [ 0.0013314500000000, 0.0023040700000000, -0.0011306800000000 ] - [ -0.0035181800000000, -0.0009270100000000, -0.0129545900000000 ] - [ 0.0040206200000000, 0.0001949100000000, 0.0012655900000000 ] - [ -0.0008631000000000, 0.0000000000000000, 0.0190197400000000 ] - [ 0.0026851200000000, 0.0000000000000000, -0.0031816600000000 ] - [ 0.0006414800000000, -0.0011090300000000, -0.0001000200000000 ] - [ 0.0006414800000000, 0.0011090300000000, -0.0001000200000000 ] - [ -0.0022499200000000, -0.0008183900000000, -0.0094681300000000 ] - [ 0.0040030800000000, 0.0000599000000000, 0.0013494500000000 ] - [ -0.0031658800000000, -0.0033951500000000, 0.0016228800000000 ] - [ 0.0014303400000000, 0.0023015200000000, -0.0011968900000000 ] - [ 0.0035925300000000, 0.0000000000000000, -0.0042820600000000 ] - [ -0.0017107000000000, 0.0000000000000000, 0.0258830600000000 ] - [ 0.0005400100000000, 0.0012671100000000, -0.0001016700000000 ] - [ 0.0005400100000000, -0.0012671100000000, -0.0001016700000000 ] - [ 0.0010495400000000, 0.0003446200000000, 0.0001324500000000 ] - [ -0.0014777200000000, -0.0000191100000000, -0.0006828900000000 ] - [ -0.0005432000000000, 0.0010196500000000, 0.0004687700000000 ] - [ 0.0011054900000000, -0.0012022500000000, -0.0004090700000000 ] - [ 0.0172132200000000, 0.0060882400000000, 0.0001041300000000 ] - [ -0.0046070500000000, 0.0010289700000000, -0.0005730200000000 ] - [ -0.0026683200000000, 0.0035231000000000, 0.0014688800000000 ] - [ 0.0010396200000000, -0.0053835400000000, -0.0014628200000000 ] - [ 0.0008498500000000, -0.0009933900000000, -0.0004138800000000 ] - [ -0.0004795900000000, 0.0009543000000000, 0.0005178400000000 ] - [ -0.0012981300000000, 0.0000481400000000, -0.0008676100000000 ] - [ 0.0009772200000000, 0.0002318900000000, 0.0004791700000000 ] - [ 0.0015332500000000, -0.0043950900000000, -0.0013156100000000 ] - [ -0.0024594800000000, 0.0039501500000000, 0.0006923300000000 ] - [ -0.0046644100000000, 0.0004658500000000, -0.0003774900000000 ] - [ 0.0168396700000000, 0.0048148800000000, -0.0032115200000000 ] - [ -0.0038880700000000, -0.0060605900000000, -0.0038618400000000 ] - [ -0.0024985300000000, 0.0011192100000000, 0.0026178200000000 ] - [ -0.0015018700000000, 0.0009626200000000, -0.0000570300000000 ] - [ 0.0030347400000000, -0.0036818100000000, 0.0010679400000000 ] - [ 0.0190624000000000, 0.0000000000000000, -0.0000847700000000 ] - [ -0.0036917200000000, 0.0000000000000000, 0.0002452600000000 ] - [ -0.0002003500000000, 0.0020098900000000, -0.0001503000000000 ] - [ -0.0002003500000000, -0.0020098900000000, -0.0001503000000000 ] - [ 0.0092387900000000, 0.0000000000000000, -0.0000189200000000 ] - [ -0.0027386500000000, 0.0000000000000000, 0.0001068200000000 ] - [ -0.0000168500000000, 0.0015689300000000, -0.0000905000000000 ] - [ -0.0000168500000000, -0.0015689300000000, -0.0000905000000000 ] - [ -0.0019131400000000, -0.0009744500000000, 0.0024756200000000 ] - [ -0.0025883300000000, 0.0050310200000000, -0.0042946300000000 ] - [ -0.0013573100000000, -0.0006822500000000, -0.0000537200000000 ] - [ 0.0029409100000000, 0.0026015100000000, 0.0016672000000000 ] - [ 0.0011054900000000, 0.0012022500000000, -0.0004090700000000 ] - [ -0.0005432000000000, -0.0010196500000000, 0.0004687700000000 ] - [ 0.0010495400000000, -0.0003446200000000, 0.0001324500000000 ] - [ -0.0014777200000000, 0.0000191100000000, -0.0006828900000000 ] - [ 0.0010396200000000, 0.0053835400000000, -0.0014628200000000 ] - [ -0.0026683200000000, -0.0035231000000000, 0.0014688800000000 ] - [ 0.0172132200000000, -0.0060882400000000, 0.0001041300000000 ] - [ -0.0046070500000000, -0.0010289700000000, -0.0005730200000000 ] - [ 0.0264102500000000, 0.0000000000000000, 0.0072775200000000 ] - [ -0.0059990700000000, 0.0000000000000000, 0.0026635200000000 ] - [ 0.0003278500000000, 0.0001587900000000, -0.0002705100000000 ] - [ 0.0003278500000000, -0.0001587900000000, -0.0002705100000000 ] - [ 0.0009772200000000, -0.0002318900000000, 0.0004791700000000 ] - [ -0.0012981300000000, -0.0000481400000000, -0.0008676100000000 ] - [ 0.0008498500000000, 0.0009933900000000, -0.0004138800000000 ] - [ -0.0004795900000000, -0.0009543000000000, 0.0005178400000000 ] - [ 0.0168396700000000, -0.0048148800000000, -0.0032115200000000 ] - [ -0.0046644100000000, -0.0004658500000000, -0.0003774900000000 ] - [ 0.0015332500000000, 0.0043950900000000, -0.0013156100000000 ] - [ -0.0024594800000000, -0.0039501500000000, 0.0006923300000000 ] - [ 0.0012453500000000, 0.0000000000000000, -0.0009088600000000 ] - [ -0.0010109300000000, 0.0000000000000000, 0.0008809300000000 ] - [ -0.0001589400000000, 0.0002575900000000, 0.0003974400000000 ] - [ -0.0001589400000000, -0.0002575900000000, 0.0003974400000000 ] - [ 0.0029409100000000, -0.0026015100000000, 0.0016672000000000 ] - [ -0.0013573100000000, 0.0006822500000000, -0.0000537200000000 ] - [ -0.0019131400000000, 0.0009744500000000, 0.0024756200000000 ] - [ -0.0025883300000000, -0.0050310200000000, -0.0042946300000000 ] - [ 0.0030347400000000, 0.0036818100000000, 0.0010679400000000 ] - [ -0.0015018700000000, -0.0009626200000000, -0.0000570300000000 ] - [ -0.0038880700000000, 0.0060605900000000, -0.0038618400000000 ] - [ -0.0024985300000000, -0.0011192100000000, 0.0026178200000000 ] - [ -0.0082068300000000, 0.0000000000000000, 0.0029956300000000 ] - [ 0.0262270900000000, 0.0000000000000000, -0.0006458400000000 ] - [ 0.0004372600000000, -0.0004355100000000, -0.0008297200000000 ] - [ 0.0004372600000000, 0.0004355100000000, -0.0008297200000000 ] - [ -0.0010370300000000, 0.0000000000000000, 0.0008730700000000 ] - [ 0.0015447200000000, 0.0000000000000000, -0.0002632000000000 ] - [ -0.0002060800000000, -0.0002883200000000, 0.0002684400000000 ] - [ -0.0002060800000000, 0.0002883200000000, 0.0002684400000000 ]- atom: 5 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0227027900000000, -0.0202393900000000, -0.0019619900000000 ] - [ -0.0227029500000000, 0.0202486000000000, 0.0074976900000000 ] - [ -0.0035119400000000, 0.0001586500000000, 0.0000168100000000 ] - [ 0.0123697300000000, -0.0002820200000000, -0.0054220800000000 ] - [ 0.1795761400000000, 0.0000000000000000, -0.0003160100000000 ] - [ -0.0093613200000000, 0.0000000000000000, -0.0002628400000000 ] - [ -0.0008132300000000, 0.0049441900000000, 0.0000741400000000 ] - [ -0.0008132300000000, -0.0049441900000000, 0.0000741400000000 ] - [ 0.0023768300000000, 0.0000000000000000, -0.0000222300000000 ] - [ -0.0023267400000000, 0.0000000000000000, -0.0002060600000000 ] - [ -0.0001591200000000, 0.0012520800000000, 0.0000466100000000 ] - [ -0.0001591200000000, -0.0012520800000000, 0.0000466100000000 ] - [ 0.0000072200000000, -0.0007822800000000, 0.0003053000000000 ] - [ -0.0000112100000000, 0.0006540300000000, -0.0010981600000000 ] - [ -0.0011308100000000, -0.0000212000000000, 0.0000171300000000 ] - [ 0.0012487700000000, -0.0000250500000000, 0.0008485600000000 ] - [ 0.0012487700000000, 0.0000250500000000, 0.0008485600000000 ] - [ -0.0011308100000000, 0.0000212000000000, 0.0000171300000000 ] - [ 0.0000072200000000, 0.0007822800000000, 0.0003053000000000 ] - [ -0.0000112100000000, -0.0006540300000000, -0.0010981600000000 ] - [ 0.0123697300000000, 0.0002820200000000, -0.0054220800000000 ] - [ -0.0035119400000000, -0.0001586500000000, 0.0000168100000000 ] - [ -0.0227027900000000, 0.0202393900000000, -0.0019619900000000 ] - [ -0.0227029500000000, -0.0202486000000000, 0.0074976900000000 ] - [ 0.0034295600000000, -0.0010274100000000, 0.0130224200000000 ] - [ -0.0040290700000000, 0.0001843900000000, -0.0012536200000000 ] - [ -0.0013374900000000, 0.0022933700000000, 0.0011459400000000 ] - [ 0.0026539500000000, -0.0036060000000000, -0.0021312200000000 ] - [ 0.0031562700000000, -0.0033732200000000, -0.0015925900000000 ] - [ -0.0014308300000000, 0.0023226600000000, 0.0012311400000000 ] - [ -0.0040042500000000, 0.0000717900000000, -0.0013168500000000 ] - [ 0.0022673400000000, -0.0007973900000000, 0.0094825700000000 ] - [ 0.0026539500000000, 0.0036060000000000, -0.0021312200000000 ] - [ -0.0013374900000000, -0.0022933700000000, 0.0011459400000000 ] - [ 0.0034295600000000, 0.0010274100000000, 0.0130224200000000 ] - [ -0.0040290700000000, -0.0001843900000000, -0.0012536200000000 ] - [ 0.0008574600000000, 0.0000000000000000, -0.0188895000000000 ] - [ -0.0027121700000000, 0.0000000000000000, 0.0032423000000000 ] - [ -0.0006707500000000, 0.0011020600000000, 0.0001333100000000 ] - [ -0.0006707500000000, -0.0011020600000000, 0.0001333100000000 ] - [ 0.0022673400000000, 0.0007973900000000, 0.0094825700000000 ] - [ -0.0040042500000000, -0.0000717900000000, -0.0013168500000000 ] - [ 0.0031562700000000, 0.0033732200000000, -0.0015925900000000 ] - [ -0.0014308300000000, -0.0023226600000000, 0.0012311400000000 ] - [ -0.0035692700000000, 0.0000000000000000, 0.0042606200000000 ] - [ 0.0018504200000000, 0.0000000000000000, -0.0260786600000000 ] - [ -0.0005128300000000, -0.0012831900000000, 0.0001349100000000 ] - [ -0.0005128300000000, 0.0012831900000000, 0.0001349100000000 ] - [ -0.0010158000000000, -0.0002870600000000, -0.0001337500000000 ] - [ 0.0015041000000000, 0.0000559400000000, 0.0007236800000000 ] - [ 0.0005672900000000, -0.0009840900000000, -0.0004362000000000 ] - [ -0.0010936800000000, 0.0012472900000000, 0.0004463700000000 ] - [ -0.0170172200000000, -0.0057058000000000, -0.0002241400000000 ] - [ 0.0045753100000000, -0.0011185800000000, 0.0006123200000000 ] - [ 0.0026214500000000, -0.0035879400000000, -0.0014185400000000 ] - [ -0.0011045800000000, 0.0053363400000000, 0.0015024300000000 ] - [ -0.0008008200000000, 0.0010741400000000, 0.0004470600000000 ] - [ 0.0005243900000000, -0.0008801200000000, -0.0004861700000000 ] - [ 0.0013476000000000, 0.0000351900000000, 0.0008936800000000 ] - [ -0.0009386900000000, -0.0001483400000000, -0.0004470900000000 ] - [ -0.0015412900000000, 0.0043465000000000, 0.0013485700000000 ] - [ 0.0024502600000000, -0.0040159700000000, -0.0006661400000000 ] - [ 0.0046434300000000, -0.0004950500000000, 0.0004058700000000 ] - [ -0.0169936700000000, -0.0050721300000000, 0.0034015700000000 ] - [ 0.0038997400000000, 0.0060671500000000, 0.0037397000000000 ] - [ 0.0025011700000000, -0.0011197400000000, -0.0027391200000000 ] - [ 0.0015239500000000, -0.0009511200000000, -0.0000565300000000 ] - [ -0.0030077000000000, 0.0036801400000000, -0.0011733200000000 ] - [ -0.0190672900000000, 0.0000000000000000, -0.0000847200000000 ] - [ 0.0036594400000000, 0.0000000000000000, -0.0002801500000000 ] - [ 0.0001846700000000, -0.0020146700000000, 0.0001083000000000 ] - [ 0.0001846700000000, 0.0020146700000000, 0.0001083000000000 ] - [ -0.0091947300000000, 0.0000000000000000, -0.0000212400000000 ] - [ 0.0027598800000000, 0.0000000000000000, -0.0001637700000000 ] - [ 0.0000307800000000, -0.0015748500000000, 0.0000409200000000 ] - [ 0.0000307800000000, 0.0015748500000000, 0.0000409200000000 ] - [ 0.0019292500000000, 0.0009626300000000, -0.0025818300000000 ] - [ 0.0025795400000000, -0.0050560000000000, 0.0042162700000000 ] - [ 0.0013459000000000, 0.0006927500000000, -0.0000525800000000 ] - [ -0.0029706500000000, -0.0026199200000000, -0.0017817000000000 ] - [ -0.0010936800000000, -0.0012472900000000, 0.0004463700000000 ] - [ 0.0005672900000000, 0.0009840900000000, -0.0004362000000000 ] - [ -0.0010158000000000, 0.0002870600000000, -0.0001337500000000 ] - [ 0.0015041000000000, -0.0000559400000000, 0.0007236800000000 ] - [ -0.0011045800000000, -0.0053363400000000, 0.0015024300000000 ] - [ 0.0026214500000000, 0.0035879400000000, -0.0014185400000000 ] - [ -0.0170172200000000, 0.0057058000000000, -0.0002241400000000 ] - [ 0.0045753100000000, 0.0011185800000000, 0.0006123200000000 ] - [ -0.0245682300000000, 0.0000000000000000, -0.0059726800000000 ] - [ 0.0060754200000000, 0.0000000000000000, -0.0026648100000000 ] - [ -0.0002893500000000, -0.0001470700000000, 0.0002989000000000 ] - [ -0.0002893500000000, 0.0001470700000000, 0.0002989000000000 ] - [ -0.0009386900000000, 0.0001483400000000, -0.0004470900000000 ] - [ 0.0013476000000000, -0.0000351900000000, 0.0008936800000000 ] - [ -0.0008008200000000, -0.0010741400000000, 0.0004470600000000 ] - [ 0.0005243900000000, 0.0008801200000000, -0.0004861700000000 ] - [ -0.0169936700000000, 0.0050721300000000, 0.0034015700000000 ] - [ 0.0046434300000000, 0.0004950500000000, 0.0004058700000000 ] - [ -0.0015412900000000, -0.0043465000000000, 0.0013485700000000 ] - [ 0.0024502600000000, 0.0040159700000000, -0.0006661400000000 ] - [ -0.0013365000000000, 0.0000000000000000, 0.0009394500000000 ] - [ 0.0009186900000000, 0.0000000000000000, -0.0008492200000000 ] - [ 0.0000657100000000, -0.0002528000000000, -0.0003587900000000 ] - [ 0.0000657100000000, 0.0002528000000000, -0.0003587900000000 ] - [ -0.0029706500000000, 0.0026199200000000, -0.0017817000000000 ] - [ 0.0013459000000000, -0.0006927500000000, -0.0000525800000000 ] - [ 0.0019292500000000, -0.0009626300000000, -0.0025818300000000 ] - [ 0.0025795400000000, 0.0050560000000000, 0.0042162700000000 ] - [ -0.0030077000000000, -0.0036801400000000, -0.0011733200000000 ] - [ 0.0015239500000000, 0.0009511200000000, -0.0000565300000000 ] - [ 0.0038997400000000, -0.0060671500000000, 0.0037397000000000 ] - [ 0.0025011700000000, 0.0011197400000000, -0.0027391200000000 ] - [ 0.0082208900000000, 0.0000000000000000, -0.0029419300000000 ] - [ -0.0284532500000000, 0.0000000000000000, -0.0000059800000000 ] - [ -0.0003447800000000, 0.0004549300000000, 0.0008691000000000 ] - [ -0.0003447800000000, -0.0004549300000000, 0.0008691000000000 ] - [ 0.0010006000000000, 0.0000000000000000, -0.0008355000000000 ] - [ -0.0016161600000000, 0.0000000000000000, 0.0002675900000000 ] - [ 0.0001630400000000, 0.0002950100000000, -0.0002361600000000 ] - [ 0.0001630400000000, -0.0002950100000000, -0.0002361600000000 ]- atom: 5 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0021601800000000, 0.0080827100000000, -0.0118659700000000 ] - [ -0.0080799200000000, -0.0021705900000000, -0.0118659700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013840300000000 ] - [ 0.0059197500000000, -0.0059121300000000, -0.0118659700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.1552371400000000 ] - [ 0.0002269900000000, 0.0000000000000000, -0.0021863900000000 ] - [ -0.0001134900000000, 0.0001965800000000, -0.0021863900000000 ] - [ -0.0001134900000000, -0.0001965800000000, -0.0021863900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0112317200000000 ] - [ -0.0001696600000000, 0.0000000000000000, 0.0017040900000000 ] - [ 0.0000848300000000, -0.0001469300000000, 0.0017040900000000 ] - [ 0.0000848300000000, 0.0001469300000000, 0.0017040900000000 ] - [ -0.0013862700000000, 0.0001274700000000, 0.0037038100000000 ] - [ 0.0005827400000000, -0.0012642900000000, 0.0037038100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013919500000000 ] - [ 0.0008035300000000, 0.0011368100000000, 0.0037038100000000 ] - [ 0.0008035300000000, -0.0011368100000000, 0.0037038100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013919500000000 ] - [ -0.0013862700000000, -0.0001274700000000, 0.0037038100000000 ] - [ 0.0005827400000000, 0.0012642900000000, 0.0037038100000000 ] - [ 0.0059197500000000, 0.0059121300000000, -0.0118659700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013840300000000 ] - [ 0.0021601800000000, -0.0080827100000000, -0.0118659700000000 ] - [ -0.0080799200000000, 0.0021705900000000, -0.0118659700000000 ] - [ -0.0115421500000000, -0.0199916000000000, 0.0151223900000000 ] - [ 0.0020834300000000, -0.0002364000000000, -0.0004817800000000 ] - [ -0.0012464400000000, 0.0016861100000000, -0.0004817800000000 ] - [ 0.0015161800000000, 0.0026261100000000, -0.0001607200000000 ] - [ 0.0011767800000000, 0.0020382400000000, 0.0011646500000000 ] - [ -0.0009426400000000, 0.0015975000000000, 0.0006785200000000 ] - [ 0.0018548000000000, -0.0000175900000000, 0.0006785200000000 ] - [ -0.0051270300000000, -0.0088802800000000, 0.0138553400000000 ] - [ 0.0015161800000000, -0.0026261100000000, -0.0001607200000000 ] - [ -0.0012464400000000, -0.0016861100000000, -0.0004817800000000 ] - [ -0.0115421500000000, 0.0199916000000000, 0.0151223900000000 ] - [ 0.0020834300000000, 0.0002364000000000, -0.0004817800000000 ] - [ 0.0102540700000000, 0.0000000000000000, 0.0138553400000000 ] - [ -0.0023535600000000, 0.0000000000000000, 0.0011646500000000 ] - [ -0.0009121600000000, 0.0016151000000000, 0.0006785200000000 ] - [ -0.0009121600000000, -0.0016151000000000, 0.0006785200000000 ] - [ -0.0051270300000000, 0.0088802800000000, 0.0138553400000000 ] - [ 0.0018548000000000, 0.0000175900000000, 0.0006785200000000 ] - [ 0.0011767800000000, -0.0020382400000000, 0.0011646500000000 ] - [ -0.0009426400000000, -0.0015975000000000, 0.0006785200000000 ] - [ -0.0030323700000000, 0.0000000000000000, -0.0001607200000000 ] - [ 0.0230843100000000, 0.0000000000000000, 0.0151223900000000 ] - [ -0.0008369900000000, -0.0019225000000000, -0.0004817800000000 ] - [ -0.0008369900000000, 0.0019225000000000, -0.0004817800000000 ] - [ 0.0012944000000000, 0.0022419700000000, -0.0068398000000000 ] - [ -0.0005710100000000, -0.0000182400000000, -0.0012202800000000 ] - [ 0.0002697100000000, -0.0005036300000000, -0.0012202800000000 ] - [ -0.0002551100000000, -0.0004418700000000, -0.0016535500000000 ] - [ 0.0007691400000000, 0.0013321800000000, 0.0167288600000000 ] - [ 0.0002788500000000, 0.0004219200000000, 0.0023940800000000 ] - [ 0.0002259700000000, 0.0004524600000000, 0.0023940800000000 ] - [ -0.0005114900000000, -0.0008859200000000, 0.0041503400000000 ] - [ 0.0000864300000000, 0.0001497000000000, -0.0024546000000000 ] - [ 0.0001035600000000, -0.0000772000000000, -0.0017390600000000 ] - [ -0.0001186400000000, 0.0000510800000000, -0.0017390600000000 ] - [ 0.0005831200000000, 0.0010100000000000, -0.0040867300000000 ] - [ -0.0004386100000000, -0.0007597000000000, 0.0029236800000000 ] - [ 0.0002223700000000, -0.0001043000000000, 0.0013193200000000 ] - [ -0.0002015100000000, 0.0001404300000000, 0.0013193200000000 ] - [ -0.0067137900000000, -0.0116286300000000, 0.0238930400000000 ] - [ -0.0031108900000000, -0.0033165100000000, -0.0015640800000000 ] - [ 0.0044276300000000, -0.0010358600000000, -0.0015640800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001716700000000 ] - [ -0.0013167300000000, 0.0043523700000000, -0.0015640800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0277489500000000 ] - [ -0.0000830500000000, 0.0000000000000000, 0.0004123600000000 ] - [ 0.0000415200000000, -0.0000719200000000, 0.0004123600000000 ] - [ 0.0000415200000000, 0.0000719200000000, 0.0004123600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0112662800000000 ] - [ -0.0000496600000000, 0.0000000000000000, -0.0004512200000000 ] - [ 0.0000248300000000, -0.0000430100000000, -0.0004512200000000 ] - [ 0.0000248300000000, 0.0000430100000000, -0.0004512200000000 ] - [ 0.0035736300000000, 0.0012528500000000, -0.0010249500000000 ] - [ -0.0028718100000000, 0.0024684300000000, -0.0010249500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001436500000000 ] - [ -0.0007018200000000, -0.0037212800000000, -0.0010249500000000 ] - [ -0.0002551100000000, 0.0004418700000000, -0.0016535500000000 ] - [ 0.0002697100000000, 0.0005036300000000, -0.0012202800000000 ] - [ 0.0012944000000000, -0.0022419700000000, -0.0068398000000000 ] - [ -0.0005710100000000, 0.0000182400000000, -0.0012202800000000 ] - [ -0.0005114900000000, 0.0008859200000000, 0.0041503400000000 ] - [ 0.0002259700000000, -0.0004524600000000, 0.0023940800000000 ] - [ 0.0007691400000000, -0.0013321800000000, 0.0167288600000000 ] - [ 0.0002788500000000, -0.0004219200000000, 0.0023940800000000 ] - [ 0.0134275800000000, 0.0000000000000000, 0.0238930400000000 ] - [ 0.0008772200000000, 0.0000000000000000, 0.0029236800000000 ] - [ -0.0000208600000000, -0.0002447300000000, 0.0013193200000000 ] - [ -0.0000208600000000, 0.0002447300000000, 0.0013193200000000 ] - [ 0.0005831200000000, -0.0010100000000000, -0.0040867300000000 ] - [ -0.0001186400000000, -0.0000510800000000, -0.0017390600000000 ] - [ 0.0000864300000000, -0.0001497000000000, -0.0024546000000000 ] - [ 0.0001035600000000, 0.0000772000000000, -0.0017390600000000 ] - [ -0.0067137900000000, 0.0116286300000000, 0.0238930400000000 ] - [ -0.0002015100000000, -0.0001404300000000, 0.0013193200000000 ] - [ -0.0004386100000000, 0.0007597000000000, 0.0029236800000000 ] - [ 0.0002223700000000, 0.0001043000000000, 0.0013193200000000 ] - [ -0.0011662500000000, 0.0000000000000000, -0.0040867300000000 ] - [ -0.0001728600000000, 0.0000000000000000, -0.0024546000000000 ] - [ 0.0000150800000000, -0.0001282900000000, -0.0017390600000000 ] - [ 0.0000150800000000, 0.0001282900000000, -0.0017390600000000 ] - [ -0.0007018200000000, 0.0037212800000000, -0.0010249500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001436500000000 ] - [ 0.0035736300000000, -0.0012528500000000, -0.0010249500000000 ] - [ -0.0028718100000000, -0.0024684300000000, -0.0010249500000000 ] - [ -0.0013167300000000, -0.0043523700000000, -0.0015640800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001716700000000 ] - [ -0.0031108900000000, 0.0033165100000000, -0.0015640800000000 ] - [ 0.0044276300000000, 0.0010358600000000, -0.0015640800000000 ] - [ 0.0010229700000000, 0.0000000000000000, 0.0041503400000000 ] - [ -0.0015382700000000, 0.0000000000000000, 0.0167288600000000 ] - [ -0.0005048200000000, -0.0000305300000000, 0.0023940800000000 ] - [ -0.0005048200000000, 0.0000305300000000, 0.0023940800000000 ] - [ 0.0005102300000000, 0.0000000000000000, -0.0016535500000000 ] - [ -0.0025888000000000, 0.0000000000000000, -0.0068398000000000 ] - [ 0.0003013000000000, 0.0004853900000000, -0.0012202800000000 ] - [ 0.0003013000000000, -0.0004853900000000, -0.0012202800000000 ]- atom: 5 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0022363900000000, -0.0081264900000000, 0.0118486100000000 ] - [ 0.0081559400000000, 0.0021264700000000, 0.0118486100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014153400000000 ] - [ -0.0059195500000000, 0.0060000200000000, 0.0118486100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.1571136700000000 ] - [ -0.0002254400000000, 0.0000000000000000, 0.0021045000000000 ] - [ 0.0001127200000000, -0.0001952400000000, 0.0021045000000000 ] - [ 0.0001127200000000, 0.0001952400000000, 0.0021045000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0112883200000000 ] - [ 0.0001690100000000, 0.0000000000000000, -0.0017862700000000 ] - [ -0.0000845100000000, 0.0001463700000000, -0.0017862700000000 ] - [ -0.0000845100000000, -0.0001463700000000, -0.0017862700000000 ] - [ 0.0014089300000000, -0.0001185700000000, -0.0036681200000000 ] - [ -0.0006017800000000, 0.0012794500000000, -0.0036681200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013555200000000 ] - [ -0.0008071500000000, -0.0011608800000000, -0.0036681200000000 ] - [ -0.0008071500000000, 0.0011608800000000, -0.0036681200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013555200000000 ] - [ 0.0014089300000000, 0.0001185700000000, -0.0036681200000000 ] - [ -0.0006017800000000, -0.0012794500000000, -0.0036681200000000 ] - [ -0.0059195500000000, -0.0060000200000000, 0.0118486100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014153400000000 ] - [ -0.0022363900000000, 0.0081264900000000, 0.0118486100000000 ] - [ 0.0081559400000000, -0.0021264700000000, 0.0118486100000000 ] - [ 0.0116800700000000, 0.0202304800000000, -0.0151432400000000 ] - [ -0.0020962000000000, 0.0002167300000000, 0.0005224400000000 ] - [ 0.0012357900000000, -0.0017070000000000, 0.0005224400000000 ] - [ -0.0015302900000000, -0.0026505400000000, 0.0002018900000000 ] - [ -0.0011624500000000, -0.0020134100000000, -0.0011500400000000 ] - [ 0.0009505000000000, -0.0015763100000000, -0.0006637200000000 ] - [ -0.0018403800000000, 0.0000350000000000, -0.0006637200000000 ] - [ 0.0050654300000000, 0.0087735900000000, -0.0137894800000000 ] - [ -0.0015302900000000, 0.0026505400000000, 0.0002018900000000 ] - [ 0.0012357900000000, 0.0017070000000000, 0.0005224400000000 ] - [ 0.0116800700000000, -0.0202304800000000, -0.0151432400000000 ] - [ -0.0020962000000000, -0.0002167300000000, 0.0005224400000000 ] - [ -0.0101308600000000, 0.0000000000000000, -0.0137894800000000 ] - [ 0.0023248900000000, 0.0000000000000000, -0.0011500400000000 ] - [ 0.0008898800000000, -0.0016113100000000, -0.0006637200000000 ] - [ 0.0008898800000000, 0.0016113100000000, -0.0006637200000000 ] - [ 0.0050654300000000, -0.0087735900000000, -0.0137894800000000 ] - [ -0.0018403800000000, -0.0000350000000000, -0.0006637200000000 ] - [ -0.0011624500000000, 0.0020134100000000, -0.0011500400000000 ] - [ 0.0009505000000000, 0.0015763100000000, -0.0006637200000000 ] - [ 0.0030605700000000, 0.0000000000000000, 0.0002018900000000 ] - [ -0.0233601400000000, 0.0000000000000000, -0.0151432400000000 ] - [ 0.0008604100000000, 0.0019237300000000, 0.0005224400000000 ] - [ 0.0008604100000000, -0.0019237300000000, 0.0005224400000000 ] - [ -0.0012867200000000, -0.0022286600000000, 0.0068977900000000 ] - [ 0.0005981000000000, 0.0000556100000000, 0.0012457900000000 ] - [ -0.0002508900000000, 0.0005457700000000, 0.0012457900000000 ] - [ 0.0002796700000000, 0.0004844000000000, 0.0016742600000000 ] - [ -0.0007158400000000, -0.0012398700000000, -0.0168671700000000 ] - [ -0.0003308900000000, -0.0004961800000000, -0.0023633100000000 ] - [ -0.0002642600000000, -0.0005346500000000, -0.0023633100000000 ] - [ 0.0004639600000000, 0.0008036100000000, -0.0041240600000000 ] - [ -0.0000444100000000, -0.0000769200000000, 0.0024914500000000 ] - [ -0.0000555600000000, 0.0001516000000000, 0.0017796500000000 ] - [ 0.0001590700000000, 0.0000276800000000, 0.0017796500000000 ] - [ -0.0005235700000000, -0.0009068500000000, 0.0041195200000000 ] - [ 0.0004170100000000, 0.0007222800000000, -0.0028732400000000 ] - [ -0.0002501300000000, 0.0000718400000000, -0.0012805800000000 ] - [ 0.0001872800000000, -0.0001807000000000, -0.0012805800000000 ] - [ 0.0061866300000000, 0.0107155500000000, -0.0234099200000000 ] - [ 0.0030935200000000, 0.0033199600000000, 0.0014689500000000 ] - [ -0.0044219300000000, 0.0010190900000000, 0.0014689500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000691100000000 ] - [ 0.0013284100000000, -0.0043390500000000, 0.0014689500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0302283200000000 ] - [ 0.0000820900000000, 0.0000000000000000, -0.0004641000000000 ] - [ -0.0000410400000000, 0.0000710900000000, -0.0004641000000000 ] - [ -0.0000410400000000, -0.0000710900000000, -0.0004641000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0110766000000000 ] - [ 0.0000544100000000, 0.0000000000000000, 0.0004125500000000 ] - [ -0.0000272100000000, 0.0000471200000000, 0.0004125500000000 ] - [ -0.0000272100000000, -0.0000471200000000, 0.0004125500000000 ] - [ -0.0035825800000000, -0.0012678000000000, 0.0008941800000000 ] - [ 0.0028892400000000, -0.0024687100000000, 0.0008941800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002591400000000 ] - [ 0.0006933400000000, 0.0037365100000000, 0.0008941800000000 ] - [ 0.0002796700000000, -0.0004844000000000, 0.0016742600000000 ] - [ -0.0002508900000000, -0.0005457700000000, 0.0012457900000000 ] - [ -0.0012867200000000, 0.0022286600000000, 0.0068977900000000 ] - [ 0.0005981000000000, -0.0000556100000000, 0.0012457900000000 ] - [ 0.0004639600000000, -0.0008036100000000, -0.0041240600000000 ] - [ -0.0002642600000000, 0.0005346500000000, -0.0023633100000000 ] - [ -0.0007158400000000, 0.0012398700000000, -0.0168671700000000 ] - [ -0.0003308900000000, 0.0004961800000000, -0.0023633100000000 ] - [ -0.0123732500000000, 0.0000000000000000, -0.0234099200000000 ] - [ -0.0008340200000000, 0.0000000000000000, -0.0028732400000000 ] - [ 0.0000628500000000, 0.0002525400000000, -0.0012805800000000 ] - [ 0.0000628500000000, -0.0002525400000000, -0.0012805800000000 ] - [ -0.0005235700000000, 0.0009068500000000, 0.0041195200000000 ] - [ 0.0001590700000000, -0.0000276800000000, 0.0017796500000000 ] - [ -0.0000444100000000, 0.0000769200000000, 0.0024914500000000 ] - [ -0.0000555600000000, -0.0001516000000000, 0.0017796500000000 ] - [ 0.0061866300000000, -0.0107155500000000, -0.0234099200000000 ] - [ 0.0001872800000000, 0.0001807000000000, -0.0012805800000000 ] - [ 0.0004170100000000, -0.0007222800000000, -0.0028732400000000 ] - [ -0.0002501300000000, -0.0000718400000000, -0.0012805800000000 ] - [ 0.0010471400000000, 0.0000000000000000, 0.0041195200000000 ] - [ 0.0000888200000000, 0.0000000000000000, 0.0024914500000000 ] - [ -0.0001035100000000, 0.0001239100000000, 0.0017796500000000 ] - [ -0.0001035100000000, -0.0001239100000000, 0.0017796500000000 ] - [ 0.0006933400000000, -0.0037365100000000, 0.0008941800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002591400000000 ] - [ -0.0035825800000000, 0.0012678000000000, 0.0008941800000000 ] - [ 0.0028892400000000, 0.0024687100000000, 0.0008941800000000 ] - [ 0.0013284100000000, 0.0043390500000000, 0.0014689500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000691100000000 ] - [ 0.0030935200000000, -0.0033199600000000, 0.0014689500000000 ] - [ -0.0044219300000000, -0.0010190900000000, 0.0014689500000000 ] - [ -0.0009279200000000, 0.0000000000000000, -0.0041240600000000 ] - [ 0.0014316800000000, 0.0000000000000000, -0.0168671700000000 ] - [ 0.0005951500000000, 0.0000384700000000, -0.0023633100000000 ] - [ 0.0005951500000000, -0.0000384700000000, -0.0023633100000000 ] - [ -0.0005593400000000, 0.0000000000000000, 0.0016742600000000 ] - [ 0.0025734400000000, 0.0000000000000000, 0.0068977900000000 ] - [ -0.0003472100000000, -0.0004901600000000, 0.0012457900000000 ] - [ -0.0003472100000000, 0.0004901600000000, 0.0012457900000000 ]- atom: 25 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0016387200000000, 0.0001450200000000, 0.0114113900000000 ] - [ 0.0028850300000000, 0.0001368600000000, -0.0023784000000000 ] - [ 0.0004848900000000, -0.0015924700000000, -0.0006891100000000 ] - [ 0.0007239800000000, 0.0019653100000000, -0.0008662700000000 ] - [ -0.0034411100000000, 0.0010007400000000, -0.0116666200000000 ] - [ 0.0040329500000000, -0.0007477600000000, 0.0020551800000000 ] - [ 0.0013355900000000, -0.0017393000000000, -0.0012786400000000 ] - [ -0.0026518800000000, 0.0035926300000000, 0.0014896100000000 ] - [ -0.0022335100000000, 0.0008329200000000, 0.0050698100000000 ] - [ 0.0040065800000000, -0.0008294900000000, -0.0018917700000000 ] - [ 0.0014335500000000, -0.0015504900000000, 0.0009061000000000 ] - [ -0.0031670300000000, 0.0033853700000000, -0.0012158300000000 ] - [ -0.0017874000000000, -0.0002322400000000, -0.0207180700000000 ] - [ 0.0035520600000000, -0.0000754400000000, 0.0027749100000000 ] - [ 0.0007919600000000, -0.0022033800000000, 0.0009150100000000 ] - [ 0.0004182500000000, 0.0018057300000000, 0.0007726600000000 ] - [ -0.0027463700000000, -0.0019174600000000, 0.0106540700000000 ] - [ 0.0044784700000000, 0.0008302500000000, -0.0019581300000000 ] - [ -0.0030055700000000, -0.0037241900000000, -0.0014855900000000 ] - [ 0.0014692400000000, 0.0017205200000000, 0.0011268200000000 ] - [ -0.0032698400000000, 0.0003182600000000, -0.0052013100000000 ] - [ 0.0037816800000000, 0.0008041400000000, 0.0017947500000000 ] - [ -0.0030715600000000, -0.0035067900000000, 0.0011170300000000 ] - [ 0.0013720400000000, 0.0015942000000000, -0.0009246000000000 ] - [ -0.1279541300000000, 0.0015673800000000, 0.0033109300000000 ] - [ 0.0066008100000000, -0.0000409000000000, -0.0002086000000000 ] - [ 0.0014940200000000, -0.0030117600000000, 0.0001785400000000 ] - [ 0.0014002400000000, 0.0029707200000000, -0.0001796300000000 ] - [ -0.0007135200000000, 0.0004024300000000, 0.0000471400000000 ] - [ 0.0007283700000000, -0.0000316200000000, -0.0000291800000000 ] - [ 0.0000220600000000, -0.0004391500000000, -0.0000698600000000 ] - [ -0.0000846700000000, 0.0002211700000000, -0.0001904800000000 ] - [ 0.0144846400000000, -0.0064307700000000, 0.0000084000000000 ] - [ 0.0146009100000000, 0.0233967300000000, 0.0018750400000000 ] - [ -0.0112304600000000, 0.0083420300000000, 0.0025005600000000 ] - [ 0.0018313900000000, -0.0027805900000000, -0.0004743600000000 ] - [ -0.0007660300000000, -0.0004146100000000, -0.0002813600000000 ] - [ 0.0007418000000000, 0.0000233400000000, -0.0000031900000000 ] - [ -0.0000953800000000, -0.0002203600000000, 0.0003147500000000 ] - [ 0.0000249900000000, 0.0004365000000000, -0.0000532200000000 ] - [ -0.0000397700000000, -0.0000213300000000, 0.0002002700000000 ] - [ 0.0002870800000000, -0.0000264500000000, -0.0003952500000000 ] - [ -0.0000235800000000, -0.0004275100000000, -0.0000556700000000 ] - [ -0.0000226900000000, 0.0003959000000000, 0.0000313400000000 ] - [ 0.0145792800000000, -0.0233899000000000, 0.0016214500000000 ] - [ 0.0142901300000000, 0.0063745400000000, 0.0002770900000000 ] - [ -0.0113531500000000, -0.0084282500000000, -0.0019091100000000 ] - [ 0.0019151800000000, 0.0028468400000000, 0.0003136200000000 ] - [ 0.0158272900000000, 0.0000810900000000, 0.0025579100000000 ] - [ -0.0028695700000000, 0.0000875700000000, -0.0001951500000000 ] - [ -0.0005988600000000, 0.0014211400000000, 0.0001347600000000 ] - [ -0.0000412700000000, -0.0012761200000000, 0.0000093600000000 ] - [ 0.0156782100000000, 0.0002796000000000, 0.0022191100000000 ] - [ -0.0023536500000000, -0.0000994300000000, -0.0000285800000000 ] - [ -0.0001389800000000, 0.0011820600000000, 0.0000082500000000 ] - [ -0.0006217800000000, -0.0013868500000000, -0.0000756100000000 ] - [ 0.0028946100000000, -0.0011610600000000, 0.0002340700000000 ] - [ -0.0015029600000000, 0.0002597500000000, -0.0001894400000000 ] - [ -0.0003373400000000, 0.0011700100000000, 0.0005652500000000 ] - [ 0.0002064600000000, -0.0003349000000000, -0.0004981300000000 ] - [ 0.0017584700000000, -0.0008109400000000, -0.0003161100000000 ] - [ -0.0016754800000000, 0.0001867400000000, 0.0004109800000000 ] - [ -0.0002381900000000, 0.0011749200000000, -0.0006116000000000 ] - [ -0.0002500900000000, -0.0009341900000000, 0.0007323100000000 ] - [ 0.0005366100000000, 0.0000422100000000, -0.0002868900000000 ] - [ -0.0003267500000000, 0.0000107100000000, 0.0000536900000000 ] - [ -0.0000909100000000, 0.0006895900000000, -0.0000653000000000 ] - [ -0.0000808900000000, -0.0006775700000000, 0.0000735300000000 ] - [ 0.0208738400000000, 0.0030261300000000, 0.0001217800000000 ] - [ -0.0045826900000000, 0.0018272800000000, -0.0003955100000000 ] - [ -0.0019698000000000, 0.0018128700000000, 0.0000914100000000 ] - [ 0.0021449600000000, -0.0043382300000000, -0.0001849200000000 ] - [ 0.0008581400000000, -0.0001843400000000, -0.0001879300000000 ] - [ -0.0007501500000000, 0.0005078400000000, 0.0002102000000000 ] - [ -0.0002493300000000, -0.0000055200000000, -0.0001294700000000 ] - [ 0.0002170000000000, -0.0002598900000000, 0.0000570100000000 ] - [ 0.0332254600000000, -0.0000945000000000, -0.0009957500000000 ] - [ -0.0053224900000000, -0.0000158700000000, -0.0002745600000000 ] - [ -0.0000907200000000, 0.0024238100000000, -0.0000379300000000 ] - [ -0.0000665500000000, -0.0022841900000000, -0.0003072500000000 ] - [ -0.0026048600000000, 0.0009995400000000, -0.0028687500000000 ] - [ -0.0027319900000000, -0.0065482600000000, 0.0075679500000000 ] - [ 0.0027033200000000, -0.0017057700000000, -0.0035781400000000 ] - [ -0.0011560300000000, 0.0011873100000000, -0.0001954300000000 ] - [ -0.0028005500000000, 0.0014431400000000, 0.0040093800000000 ] - [ -0.0028897600000000, -0.0046192700000000, -0.0074935000000000 ] - [ 0.0035694000000000, -0.0029733000000000, 0.0043884500000000 ] - [ -0.0009669400000000, 0.0010793300000000, -0.0001339700000000 ] - [ 0.0022613800000000, 0.0009494800000000, -0.0000427700000000 ] - [ -0.0014498800000000, -0.0002334600000000, 0.0001329200000000 ] - [ 0.0004307300000000, 0.0001168900000000, 0.0004791000000000 ] - [ -0.0003967600000000, -0.0011932500000000, -0.0005056600000000 ] - [ 0.0003258400000000, -0.0005353600000000, -0.0007537900000000 ] - [ -0.0014173600000000, 0.0000170500000000, 0.0012854800000000 ] - [ 0.0002875700000000, 0.0005416900000000, 0.0000128200000000 ] - [ 0.0002848600000000, -0.0006417700000000, -0.0004737900000000 ] - [ 0.0006082900000000, 0.0007011900000000, 0.0005953500000000 ] - [ -0.0003398100000000, -0.0001066000000000, -0.0010341700000000 ] - [ 0.0002888500000000, 0.0006798500000000, 0.0005550600000000 ] - [ 0.0001785100000000, -0.0006140700000000, 0.0000609800000000 ] - [ 0.0023827000000000, 0.0011263700000000, 0.0005320800000000 ] - [ -0.0016850100000000, -0.0002093200000000, -0.0004934500000000 ] - [ -0.0002937000000000, 0.0009018300000000, -0.0007328400000000 ] - [ -0.0002334300000000, -0.0011140200000000, 0.0006703600000000 ] - [ 0.0222097100000000, -0.0049080300000000, 0.0001523600000000 ] - [ -0.0047212800000000, -0.0019780700000000, 0.0000057600000000 ] - [ 0.0021202600000000, 0.0044027300000000, -0.0001378200000000 ] - [ -0.0019263300000000, -0.0018148700000000, -0.0001682900000000 ] - [ 0.0008294700000000, 0.0002202700000000, -0.0000077500000000 ] - [ -0.0007370600000000, -0.0004503600000000, -0.0001034200000000 ] - [ 0.0002347600000000, 0.0003142000000000, -0.0000527600000000 ] - [ -0.0002656500000000, 0.0000154200000000, 0.0000143700000000 ] - [ -0.0024326100000000, 0.0050975500000000, -0.0075885300000000 ] - [ -0.0026198800000000, -0.0009993000000000, 0.0029484500000000 ] - [ 0.0025197900000000, 0.0018670400000000, 0.0039044900000000 ] - [ -0.0010406100000000, -0.0011318500000000, 0.0000115800000000 ] - [ -0.0033343600000000, 0.0062852000000000, 0.0076374700000000 ] - [ -0.0025723900000000, -0.0014044700000000, -0.0037077200000000 ] - [ 0.0039010800000000, 0.0027331400000000, -0.0043496100000000 ] - [ -0.0010536600000000, -0.0011448400000000, 0.0001160500000000 ]- atom: 25 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0015558400000000, -0.0001396800000000, -0.0113234700000000 ] - [ -0.0028805700000000, -0.0001444700000000, 0.0024271100000000 ] - [ -0.0004856100000000, 0.0015793400000000, 0.0007173400000000 ] - [ -0.0007277500000000, -0.0019613600000000, 0.0008995300000000 ] - [ 0.0035051500000000, -0.0009533500000000, 0.0115501700000000 ] - [ -0.0040177400000000, 0.0007411800000000, -0.0021290000000000 ] - [ -0.0013345200000000, 0.0017450300000000, 0.0011990600000000 ] - [ 0.0026310600000000, -0.0035912900000000, -0.0015612000000000 ] - [ 0.0022832200000000, -0.0007804700000000, -0.0051272600000000 ] - [ -0.0040036400000000, 0.0008252500000000, 0.0018006300000000 ] - [ -0.0014288900000000, 0.0015519300000000, -0.0009937700000000 ] - [ 0.0031549100000000, -0.0033812400000000, 0.0011208400000000 ] - [ 0.0017246700000000, 0.0002297400000000, 0.0206373800000000 ] - [ -0.0035471300000000, 0.0000863600000000, -0.0027701000000000 ] - [ -0.0007930500000000, 0.0021979300000000, -0.0008845300000000 ] - [ -0.0004179900000000, -0.0017952200000000, -0.0007433800000000 ] - [ 0.0028090700000000, 0.0018644000000000, -0.0105943600000000 ] - [ -0.0044673700000000, -0.0008244700000000, 0.0019796800000000 ] - [ 0.0029944900000000, 0.0037240400000000, 0.0015055800000000 ] - [ -0.0014648800000000, -0.0017274100000000, -0.0011010000000000 ] - [ 0.0033266300000000, -0.0003670500000000, 0.0052038500000000 ] - [ -0.0037715600000000, -0.0008019300000000, -0.0017529800000000 ] - [ 0.0030557200000000, 0.0034952100000000, -0.0010719000000000 ] - [ -0.0013683500000000, -0.0015986600000000, 0.0009579800000000 ] - [ 0.1247067900000000, -0.0015866800000000, -0.0027248900000000 ] - [ -0.0066241300000000, 0.0000483600000000, 0.0002233200000000 ] - [ -0.0014787300000000, 0.0030046700000000, -0.0001660600000000 ] - [ -0.0013867500000000, -0.0029528400000000, 0.0001901900000000 ] - [ 0.0007066300000000, -0.0004096000000000, -0.0000345900000000 ] - [ -0.0007288300000000, 0.0000262900000000, 0.0000435800000000 ] - [ -0.0000273300000000, 0.0004322800000000, 0.0000854200000000 ] - [ 0.0000858300000000, -0.0002213500000000, 0.0002043200000000 ] - [ -0.0145454900000000, 0.0065920700000000, 0.0000140300000000 ] - [ -0.0144312600000000, -0.0232516400000000, -0.0018542500000000 ] - [ 0.0112148300000000, -0.0082846500000000, -0.0024768600000000 ] - [ -0.0018290100000000, 0.0028083400000000, 0.0005058800000000 ] - [ 0.0007325300000000, 0.0003966600000000, 0.0003139100000000 ] - [ -0.0007682500000000, -0.0000434600000000, 0.0000359000000000 ] - [ 0.0000687700000000, 0.0001938200000000, -0.0002800800000000 ] - [ -0.0000550700000000, -0.0004559000000000, 0.0000873800000000 ] - [ 0.0000426100000000, -0.0000145500000000, -0.0001659200000000 ] - [ -0.0002959100000000, -0.0000086300000000, 0.0004271400000000 ] - [ 0.0000205100000000, 0.0003931000000000, 0.0000909400000000 ] - [ 0.0000204800000000, -0.0004334900000000, 0.0000016000000000 ] - [ -0.0143790600000000, 0.0233007600000000, -0.0016035700000000 ] - [ -0.0143174500000000, -0.0064743800000000, -0.0002331900000000 ] - [ 0.0113659300000000, 0.0084263700000000, 0.0019495500000000 ] - [ -0.0018807400000000, -0.0028193500000000, -0.0002821100000000 ] - [ -0.0157241000000000, -0.0000015800000000, -0.0021138500000000 ] - [ 0.0028946200000000, -0.0000497100000000, 0.0002448700000000 ] - [ 0.0006166400000000, -0.0013844400000000, -0.0000932000000000 ] - [ 0.0000608000000000, 0.0013075100000000, 0.0000285100000000 ] - [ -0.0157537300000000, -0.0003967100000000, -0.0026669700000000 ] - [ 0.0023086200000000, 0.0000243500000000, 0.0000552600000000 ] - [ 0.0000921700000000, -0.0012578700000000, 0.0000251900000000 ] - [ 0.0005757400000000, 0.0013040300000000, 0.0001127800000000 ] - [ -0.0028324600000000, 0.0012501900000000, -0.0002018100000000 ] - [ 0.0015430700000000, -0.0001819600000000, 0.0002315700000000 ] - [ 0.0003827300000000, -0.0010930100000000, -0.0005169100000000 ] - [ -0.0001706400000000, 0.0003985600000000, 0.0005359500000000 ] - [ -0.0017652700000000, 0.0007871900000000, 0.0003587300000000 ] - [ 0.0016501900000000, -0.0002200700000000, -0.0003796100000000 ] - [ 0.0002169100000000, -0.0012052200000000, 0.0006339400000000 ] - [ 0.0002237600000000, 0.0008854600000000, -0.0006915100000000 ] - [ -0.0005129000000000, -0.0000119200000000, 0.0001749000000000 ] - [ 0.0003385800000000, 0.0000258400000000, -0.0001662800000000 ] - [ 0.0001114600000000, -0.0006601400000000, -0.0000488700000000 ] - [ 0.0001002600000000, 0.0007012100000000, -0.0001852400000000 ] - [ -0.0212238600000000, -0.0036948600000000, -0.0000489100000000 ] - [ 0.0045629200000000, -0.0018626300000000, 0.0003542400000000 ] - [ 0.0019453000000000, -0.0018527800000000, -0.0001335800000000 ] - [ -0.0021594200000000, 0.0042798100000000, 0.0001393900000000 ] - [ -0.0008399000000000, 0.0002184800000000, 0.0001387100000000 ] - [ 0.0007680700000000, -0.0004686800000000, -0.0002523900000000 ] - [ 0.0002639100000000, 0.0000374800000000, 0.0000852300000000 ] - [ -0.0001894600000000, 0.0003000700000000, -0.0001003600000000 ] - [ -0.0295589300000000, 0.0000658900000000, 0.0004330700000000 ] - [ 0.0053366900000000, -0.0000130900000000, 0.0001655100000000 ] - [ 0.0000709500000000, -0.0024432800000000, -0.0000736000000000 ] - [ 0.0000480200000000, 0.0022439800000000, 0.0001944400000000 ] - [ 0.0026086100000000, -0.0010502400000000, 0.0029084300000000 ] - [ 0.0027290700000000, 0.0065002000000000, -0.0074970500000000 ] - [ -0.0026812200000000, 0.0016506600000000, 0.0036174700000000 ] - [ 0.0011716500000000, -0.0012203000000000, 0.0002279100000000 ] - [ 0.0027539100000000, -0.0013792600000000, -0.0039891100000000 ] - [ 0.0028261700000000, 0.0046762600000000, 0.0074880300000000 ] - [ -0.0036056100000000, 0.0030475500000000, -0.0043589600000000 ] - [ 0.0009202300000000, -0.0009984700000000, 0.0001750700000000 ] - [ -0.0022026200000000, -0.0009611500000000, 0.0000898900000000 ] - [ 0.0014861900000000, 0.0002359200000000, -0.0001066400000000 ] - [ -0.0004005300000000, -0.0001053300000000, -0.0004460200000000 ] - [ 0.0004388400000000, 0.0011893400000000, 0.0005368900000000 ] - [ -0.0003021300000000, 0.0004571000000000, 0.0007760400000000 ] - [ 0.0014627600000000, -0.0000946900000000, -0.0012476400000000 ] - [ -0.0002423200000000, -0.0006249600000000, 0.0000230300000000 ] - [ -0.0002414000000000, 0.0005610000000000, 0.0005156700000000 ] - [ -0.0006488100000000, -0.0006615100000000, -0.0005463400000000 ] - [ 0.0003288800000000, 0.0001442400000000, 0.0010665400000000 ] - [ -0.0003075000000000, -0.0006452000000000, -0.0005219300000000 ] - [ -0.0001971700000000, 0.0006489300000000, -0.0000302400000000 ] - [ -0.0024566700000000, -0.0011347800000000, -0.0005042800000000 ] - [ 0.0015918300000000, 0.0002089000000000, 0.0005383600000000 ] - [ 0.0001966100000000, -0.0008932700000000, 0.0007670000000000 ] - [ 0.0001425000000000, 0.0011067200000000, -0.0006310100000000 ] - [ -0.0225613300000000, 0.0055675300000000, -0.0003725000000000 ] - [ 0.0047008300000000, 0.0019493700000000, -0.0001156100000000 ] - [ -0.0021298200000000, -0.0044176000000000, 0.0000281700000000 ] - [ 0.0019063400000000, 0.0017900100000000, 0.0000565300000000 ] - [ -0.0008144500000000, -0.0001887600000000, -0.0001018200000000 ] - [ 0.0007568700000000, 0.0004835700000000, -0.0000083300000000 ] - [ -0.0002183700000000, -0.0002919200000000, -0.0000612900000000 ] - [ 0.0002807100000000, 0.0000126100000000, -0.0001274900000000 ] - [ 0.0025028400000000, -0.0050682300000000, 0.0075847400000000 ] - [ 0.0026974700000000, 0.0010184200000000, -0.0029194500000000 ] - [ -0.0024256700000000, -0.0018522400000000, -0.0038680200000000 ] - [ 0.0011284400000000, 0.0011279300000000, 0.0000319400000000 ] - [ 0.0032725000000000, -0.0062822000000000, -0.0075845800000000 ] - [ 0.0025254000000000, 0.0014158200000000, 0.0037613900000000 ] - [ -0.0039351700000000, -0.0027320700000000, 0.0043937600000000 ] - [ 0.0010127100000000, 0.0011380100000000, -0.0000855900000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0204677800000000, -0.0010395700000000, 0.0139012700000000 ] - [ -0.0035043300000000, 0.0002175000000000, 0.0008767600000000 ] - [ 0.0000220400000000, 0.0014232200000000, 0.0002718700000000 ] - [ -0.0001965300000000, -0.0016408000000000, 0.0004711300000000 ] - [ -0.0130367600000000, -0.0225803400000000, 0.0151584400000000 ] - [ 0.0012609100000000, -0.0005903400000000, -0.0005439600000000 ] - [ -0.0011417000000000, 0.0007968100000000, -0.0005439600000000 ] - [ 0.0021391400000000, 0.0037050900000000, -0.0002229400000000 ] - [ 0.0094627300000000, 0.0163899300000000, 0.0137389800000000 ] - [ -0.0013323200000000, 0.0006334600000000, 0.0006355900000000 ] - [ 0.0012147500000000, -0.0008370900000000, 0.0006355900000000 ] - [ -0.0016040200000000, -0.0027782400000000, 0.0011202200000000 ] - [ -0.0251126500000000, -0.0009306400000000, 0.0137837200000000 ] - [ 0.0039045500000000, 0.0002168100000000, 0.0002069100000000 ] - [ 0.0002234800000000, -0.0015490100000000, 0.0000306400000000 ] - [ 0.0000898300000000, 0.0013121400000000, -0.0002172100000000 ] - [ 0.0117503600000000, -0.0222135100000000, 0.0137837200000000 ] - [ -0.0014532200000000, -0.0005809700000000, 0.0000306400000000 ] - [ -0.0017645100000000, 0.0034898500000000, 0.0002069100000000 ] - [ 0.0010914400000000, 0.0007338700000000, -0.0002172100000000 ] - [ -0.0111341900000000, 0.0172058400000000, 0.0139012700000000 ] - [ 0.0012215300000000, 0.0007307000000000, 0.0002718700000000 ] - [ 0.0019405300000000, -0.0029260900000000, 0.0008767600000000 ] - [ -0.0013227000000000, -0.0009906000000000, 0.0004711300000000 ] - [ 0.0030050200000000, 0.0052048500000000, -0.2480647500000000 ] - [ -0.0002103400000000, 0.0000791000000000, -0.0016983700000000 ] - [ 0.0001736800000000, -0.0001426100000000, -0.0016983700000000 ] - [ -0.0001826400000000, -0.0003163300000000, -0.0016873600000000 ] - [ -0.0000413600000000, -0.0000716300000000, 0.0071986300000000 ] - [ 0.0000343300000000, 0.0001085400000000, 0.0017404300000000 ] - [ 0.0000768300000000, 0.0000840000000000, 0.0017404300000000 ] - [ 0.0001938400000000, 0.0003357400000000, 0.0035610400000000 ] - [ 0.0018977900000000, 0.0011633800000000, -0.0058479600000000 ] - [ -0.0000224300000000, -0.0018671900000000, -0.0058475200000000 ] - [ 0.0024789300000000, -0.0016830700000000, -0.0061076700000000 ] - [ -0.0004891000000000, -0.0000428800000000, -0.0014362700000000 ] - [ -0.0001255200000000, -0.0002888700000000, 0.0071131800000000 ] - [ -0.0000679700000000, -0.0000593600000000, 0.0017432600000000 ] - [ -0.0001279300000000, 0.0004012300000000, 0.0035851400000000 ] - [ -0.0001059600000000, 0.0000206100000000, 0.0017429700000000 ] - [ -0.0001874100000000, -0.0002531300000000, 0.0071131800000000 ] - [ 0.0004114400000000, 0.0000898200000000, 0.0035851400000000 ] - [ -0.0000174200000000, -0.0000885400000000, 0.0017432600000000 ] - [ 0.0000708300000000, -0.0000814600000000, 0.0017429700000000 ] - [ 0.0000586200000000, 0.0022252200000000, -0.0058479600000000 ] - [ -0.0026970500000000, 0.0013052800000000, -0.0061076700000000 ] - [ -0.0016058200000000, -0.0009530200000000, -0.0058475200000000 ] - [ 0.0002074200000000, -0.0004450100000000, -0.0014362700000000 ] - [ 0.0041339900000000, 0.0071602800000000, 0.0727837800000000 ] - [ -0.0000600300000000, 0.0000093900000000, 0.0007434100000000 ] - [ 0.0000381400000000, -0.0000472900000000, 0.0007434100000000 ] - [ 0.0002080400000000, 0.0003603400000000, 0.0011549000000000 ] - [ 0.0040257000000000, 0.0069727200000000, 0.0886008200000000 ] - [ 0.0002684500000000, -0.0000507500000000, 0.0012369900000000 ] - [ -0.0001781700000000, 0.0002071100000000, 0.0012369900000000 ] - [ 0.0000144900000000, 0.0000251000000000, 0.0008240300000000 ] - [ 0.0021942600000000, 0.0038005600000000, -0.0063004500000000 ] - [ -0.0001779400000000, 0.0002744100000000, -0.0011056600000000 ] - [ 0.0003266200000000, -0.0000169000000000, -0.0011056600000000 ] - [ -0.0016645800000000, -0.0028831400000000, -0.0016627400000000 ] - [ -0.0021998300000000, -0.0038102200000000, -0.0056617700000000 ] - [ 0.0002347200000000, -0.0002708000000000, -0.0008672500000000 ] - [ -0.0003518800000000, 0.0000678700000000, -0.0008672500000000 ] - [ 0.0017243200000000, 0.0029866200000000, -0.0035037300000000 ] - [ -0.0000867300000000, 0.0000624300000000, -0.0038174400000000 ] - [ 0.0003485600000000, -0.0001373600000000, -0.0020399100000000 ] - [ -0.0000334700000000, 0.0000098800000000, -0.0012914300000000 ] - [ -0.0000864800000000, 0.0002226300000000, -0.0012718200000000 ] - [ -0.0008887000000000, -0.0015392800000000, 0.0137255000000000 ] - [ 0.0001882300000000, -0.0003369100000000, 0.0013272700000000 ] - [ -0.0003858900000000, -0.0000054400000000, 0.0013272700000000 ] - [ -0.0000277200000000, -0.0000480100000000, 0.0019795200000000 ] - [ 0.0000378300000000, 0.0000655200000000, -0.0040708900000000 ] - [ 0.0000845500000000, -0.0001198800000000, -0.0012688300000000 ] - [ -0.0001460900000000, 0.0000132800000000, -0.0012688300000000 ] - [ 0.0001326900000000, 0.0002298200000000, -0.0020764800000000 ] - [ -0.0037433400000000, -0.0003337300000000, 0.0137344600000000 ] - [ -0.0002002000000000, -0.0003039300000000, 0.0018845600000000 ] - [ -0.0000106600000000, 0.0005474700000000, 0.0011975600000000 ] - [ -0.0001752100000000, 0.0004530400000000, 0.0012743100000000 ] - [ -0.0026117200000000, 0.0011584700000000, 0.0011779800000000 ] - [ 0.0025907400000000, 0.0018715600000000, 0.0011157300000000 ] - [ -0.0003953800000000, -0.0042810700000000, 0.0029673200000000 ] - [ 0.0002417900000000, -0.0000220400000000, 0.0006918600000000 ] - [ 0.0033826800000000, -0.0022604100000000, 0.0026730100000000 ] - [ -0.0034114200000000, -0.0013545600000000, 0.0028994300000000 ] - [ -0.0005793500000000, 0.0029737500000000, 0.0008378600000000 ] - [ 0.0001582900000000, -0.0000079500000000, 0.0009253700000000 ] - [ -0.0020960200000000, 0.0039589800000000, -0.0059606900000000 ] - [ 0.0001614400000000, 0.0002558600000000, -0.0009756700000000 ] - [ 0.0020773900000000, -0.0033403500000000, -0.0018585900000000 ] - [ -0.0003352000000000, -0.0000719100000000, -0.0008844900000000 ] - [ -0.0040711600000000, 0.0000205500000000, -0.0057002600000000 ] - [ 0.0032765800000000, 0.0000736100000000, -0.0032469400000000 ] - [ -0.0000516100000000, -0.0003825500000000, -0.0010237900000000 ] - [ -0.0000852500000000, 0.0002211100000000, -0.0010756400000000 ] - [ 0.0044765900000000, 0.0001642900000000, -0.0059606900000000 ] - [ -0.0039315200000000, 0.0001289000000000, -0.0018585900000000 ] - [ 0.0001408700000000, 0.0002677400000000, -0.0009756700000000 ] - [ 0.0001053200000000, -0.0003262500000000, -0.0008844900000000 ] - [ 0.0020533700000000, -0.0035154500000000, -0.0057002600000000 ] - [ -0.0003055000000000, -0.0002359700000000, -0.0010237900000000 ] - [ -0.0015745400000000, 0.0028744000000000, -0.0032469400000000 ] - [ 0.0002341100000000, 0.0000367300000000, -0.0010756400000000 ] - [ 0.0015826500000000, -0.0034086900000000, 0.0137344600000000 ] - [ 0.0004794600000000, 0.0002645000000000, 0.0011975600000000 ] - [ -0.0001631100000000, -0.0003253500000000, 0.0018845600000000 ] - [ 0.0004799500000000, 0.0000747800000000, 0.0012743100000000 ] - [ 0.0000974300000000, -0.0000438900000000, -0.0038174400000000 ] - [ 0.0000252900000000, -0.0000240500000000, -0.0012914300000000 ] - [ -0.0002932400000000, 0.0002331800000000, -0.0020399100000000 ] - [ 0.0002360400000000, 0.0000364200000000, -0.0012718200000000 ] - [ -0.0036489100000000, 0.0017992800000000, 0.0026730100000000 ] - [ 0.0028650200000000, 0.0009851400000000, 0.0008378600000000 ] - [ 0.0005326300000000, -0.0036316600000000, 0.0028994300000000 ] - [ -0.0000860300000000, 0.0001331100000000, 0.0009253700000000 ] - [ 0.0023091300000000, -0.0016825800000000, 0.0011779800000000 ] - [ -0.0035098300000000, -0.0024829400000000, 0.0029673200000000 ] - [ 0.0003254500000000, 0.0031794300000000, 0.0011157300000000 ] - [ -0.0001399900000000, 0.0001983800000000, 0.0006918600000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0204076300000000, 0.0010418400000000, -0.0137821600000000 ] - [ 0.0034930400000000, -0.0002241300000000, -0.0008495500000000 ] - [ -0.0000235300000000, -0.0014215800000000, -0.0002432700000000 ] - [ 0.0001956300000000, 0.0016378800000000, -0.0004475300000000 ] - [ 0.0129441600000000, 0.0224199500000000, -0.0151053500000000 ] - [ -0.0012583600000000, 0.0005871900000000, 0.0004602400000000 ] - [ 0.0011377000000000, -0.0007961800000000, 0.0004602400000000 ] - [ -0.0021325600000000, -0.0036937000000000, 0.0001401200000000 ] - [ -0.0094910500000000, -0.0164389800000000, -0.0139050300000000 ] - [ 0.0013334600000000, -0.0006350000000000, -0.0007044700000000 ] - [ -0.0012166600000000, 0.0008373100000000, -0.0007044700000000 ] - [ 0.0016088900000000, 0.0027866800000000, -0.0011912500000000 ] - [ 0.0252713900000000, 0.0009303600000000, -0.0138725900000000 ] - [ -0.0039181000000000, -0.0002096400000000, -0.0001671100000000 ] - [ -0.0002214400000000, 0.0015541300000000, 0.0000112200000000 ] - [ -0.0000914100000000, -0.0013142700000000, 0.0002551900000000 ] - [ -0.0118299800000000, 0.0223508400000000, -0.0138725900000000 ] - [ 0.0014566400000000, 0.0005852900000000, 0.0000112200000000 ] - [ 0.0017775000000000, -0.0034979900000000, -0.0001671100000000 ] - [ -0.0010924900000000, -0.0007363000000000, 0.0002551900000000 ] - [ 0.0111060700000000, -0.0171526100000000, -0.0137821600000000 ] - [ -0.0012193600000000, -0.0007311700000000, -0.0002432700000000 ] - [ -0.0019406200000000, 0.0029130000000000, -0.0008495500000000 ] - [ 0.0013206300000000, 0.0009883600000000, -0.0004475300000000 ] - [ -0.0029880500000000, -0.0051754600000000, 0.2474231200000000 ] - [ 0.0002133700000000, -0.0000754700000000, 0.0017089000000000 ] - [ -0.0001720500000000, 0.0001470500000000, 0.0017089000000000 ] - [ 0.0001858100000000, 0.0003218400000000, 0.0017026500000000 ] - [ 0.0000414600000000, 0.0000718000000000, -0.0071890700000000 ] - [ -0.0000359900000000, -0.0001101300000000, -0.0017272500000000 ] - [ -0.0000773800000000, -0.0000862300000000, -0.0017272500000000 ] - [ -0.0001988100000000, -0.0003443400000000, -0.0035444700000000 ] - [ -0.0018340500000000, -0.0011360100000000, 0.0058692500000000 ] - [ -0.0000179700000000, 0.0018553800000000, 0.0058691800000000 ] - [ -0.0025013000000000, 0.0017821600000000, 0.0061573100000000 ] - [ 0.0004899500000000, 0.0000813000000000, 0.0014681600000000 ] - [ 0.0000980700000000, 0.0002662000000000, -0.0070801100000000 ] - [ 0.0000381500000000, 0.0000382500000000, -0.0017102200000000 ] - [ 0.0000947200000000, -0.0004173700000000, -0.0035549700000000 ] - [ 0.0000755700000000, -0.0000404800000000, -0.0017101700000000 ] - [ 0.0001815000000000, 0.0002180300000000, -0.0070801100000000 ] - [ -0.0004088100000000, -0.0001266500000000, -0.0035549700000000 ] - [ 0.0000140500000000, 0.0000521700000000, -0.0017102200000000 ] - [ -0.0000728400000000, 0.0000452100000000, -0.0017101700000000 ] - [ -0.0000667900000000, -0.0021563400000000, 0.0058692500000000 ] - [ 0.0027940500000000, -0.0012751100000000, 0.0061573100000000 ] - [ 0.0016157900000000, 0.0009121300000000, 0.0058691800000000 ] - [ -0.0001745700000000, 0.0004649600000000, 0.0014681600000000 ] - [ -0.0044178200000000, -0.0076519000000000, -0.0788328600000000 ] - [ 0.0000833900000000, 0.0000268500000000, -0.0007157500000000 ] - [ -0.0000184400000000, 0.0000856400000000, -0.0007157500000000 ] - [ -0.0001863300000000, -0.0003227300000000, -0.0011206400000000 ] - [ -0.0037575200000000, -0.0065082100000000, -0.0819133200000000 ] - [ -0.0003115700000000, -0.0000263300000000, -0.0011958300000000 ] - [ 0.0001329800000000, -0.0002829900000000, -0.0011958300000000 ] - [ -0.0000593100000000, -0.0001027200000000, -0.0007869900000000 ] - [ -0.0021523800000000, -0.0037280300000000, 0.0063500400000000 ] - [ 0.0002230100000000, -0.0002007100000000, 0.0011374500000000 ] - [ -0.0002853300000000, 0.0000927700000000, 0.0011374500000000 ] - [ 0.0017158500000000, 0.0029719400000000, 0.0016935300000000 ] - [ 0.0021778200000000, 0.0037721000000000, 0.0056875100000000 ] - [ -0.0002553500000000, 0.0002308900000000, 0.0009037200000000 ] - [ 0.0003276300000000, -0.0001056900000000, 0.0009037200000000 ] - [ -0.0017325400000000, -0.0030008500000000, 0.0035256700000000 ] - [ 0.0001015500000000, -0.0000337300000000, 0.0037058700000000 ] - [ -0.0003229300000000, 0.0001638400000000, 0.0019311500000000 ] - [ 0.0000513800000000, 0.0000149400000000, 0.0011836500000000 ] - [ 0.0001036700000000, -0.0001872100000000, 0.0011623200000000 ] - [ 0.0009320200000000, 0.0016143100000000, -0.0138322000000000 ] - [ -0.0002086600000000, 0.0002954200000000, -0.0013727400000000 ] - [ 0.0003601700000000, -0.0000330000000000, -0.0013727400000000 ] - [ 0.0000156200000000, 0.0000270500000000, -0.0020252000000000 ] - [ -0.0000170300000000, -0.0000295100000000, 0.0040277900000000 ] - [ -0.0000639700000000, 0.0001609400000000, 0.0012201500000000 ] - [ 0.0001713600000000, 0.0000250700000000, 0.0012201500000000 ] - [ -0.0001159900000000, -0.0002009100000000, 0.0020275400000000 ] - [ 0.0035519400000000, 0.0003008900000000, -0.0137729700000000 ] - [ 0.0001762700000000, 0.0002722500000000, -0.0019923500000000 ] - [ -0.0000038000000000, -0.0005671500000000, -0.0013066000000000 ] - [ 0.0001586300000000, -0.0004839800000000, -0.0013839600000000 ] - [ 0.0026314600000000, -0.0012074300000000, -0.0011689800000000 ] - [ -0.0025822800000000, -0.0019056400000000, -0.0011094600000000 ] - [ 0.0004156400000000, 0.0042692500000000, -0.0029510500000000 ] - [ -0.0002186900000000, -0.0000164000000000, -0.0006640600000000 ] - [ -0.0034119900000000, 0.0023258800000000, -0.0026223200000000 ] - [ 0.0033504000000000, 0.0014311900000000, -0.0028432400000000 ] - [ 0.0005404800000000, -0.0028894300000000, -0.0007794000000000 ] - [ -0.0002002100000000, 0.0000850700000000, -0.0008871600000000 ] - [ 0.0021330300000000, -0.0039551100000000, 0.0059774400000000 ] - [ -0.0001160200000000, -0.0002529500000000, 0.0010168700000000 ] - [ -0.0020266300000000, 0.0033310400000000, 0.0019009500000000 ] - [ 0.0003769200000000, 0.0000734600000000, 0.0009216500000000 ] - [ 0.0041229500000000, -0.0001044300000000, 0.0057469700000000 ] - [ -0.0032564200000000, -0.0001554700000000, 0.0032848400000000 ] - [ 0.0000948400000000, 0.0003063600000000, 0.0010508700000000 ] - [ 0.0001314800000000, -0.0003005500000000, 0.0011060900000000 ] - [ -0.0044917400000000, -0.0001302900000000, 0.0059774400000000 ] - [ 0.0038980800000000, -0.0000895900000000, 0.0019009500000000 ] - [ -0.0001610500000000, -0.0002269500000000, 0.0010168700000000 ] - [ -0.0001248500000000, 0.0003631500000000, 0.0009216500000000 ] - [ -0.0021519200000000, 0.0035183700000000, 0.0057469700000000 ] - [ 0.0002179000000000, 0.0002353100000000, 0.0010508700000000 ] - [ 0.0014935700000000, -0.0028978800000000, 0.0032848400000000 ] - [ -0.0003260300000000, -0.0000364100000000, 0.0011060900000000 ] - [ -0.0015153900000000, 0.0032265200000000, -0.0137729700000000 ] - [ -0.0004892700000000, -0.0002868600000000, -0.0013066000000000 ] - [ 0.0001476400000000, 0.0002887800000000, -0.0019923500000000 ] - [ -0.0004984500000000, -0.0001046100000000, -0.0013839600000000 ] - [ -0.0000799800000000, 0.0000710800000000, 0.0037058700000000 ] - [ -0.0000127500000000, 0.0000519700000000, 0.0011836500000000 ] - [ 0.0003033600000000, -0.0001977400000000, 0.0019311500000000 ] - [ -0.0002139600000000, -0.0000038300000000, 0.0011623200000000 ] - [ 0.0037202600000000, -0.0017919300000000, -0.0026223200000000 ] - [ -0.0027725600000000, -0.0009766500000000, -0.0007794000000000 ] - [ -0.0004357500000000, 0.0036171200000000, -0.0028432400000000 ] - [ 0.0001737700000000, -0.0001308500000000, -0.0008871600000000 ] - [ -0.0023614000000000, 0.0016751900000000, -0.0011689800000000 ] - [ 0.0034894600000000, 0.0024945800000000, -0.0029510500000000 ] - [ -0.0003591900000000, -0.0031891400000000, -0.0011094600000000 ] - [ 0.0000951500000000, -0.0001975900000000, -0.0006640600000000 ]- atom: 49 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0014437700000000, 0.0000452900000000, -0.0013820700000000 ] - [ -0.0010488500000000, 0.0000426300000000, 0.0000283900000000 ] - [ -0.0002230200000000, 0.0007835700000000, 0.0001545100000000 ] - [ -0.0000634900000000, -0.0007585900000000, 0.0000882500000000 ] - [ 0.0010331600000000, 0.0003157400000000, 0.0012639400000000 ] - [ -0.0014912700000000, 0.0004633000000000, -0.0006296300000000 ] - [ -0.0005570900000000, 0.0005046400000000, 0.0002191200000000 ] - [ 0.0011031200000000, -0.0012278500000000, -0.0003103800000000 ] - [ 0.0168817700000000, 0.0047465600000000, 0.0062318800000000 ] - [ -0.0046696200000000, 0.0027318300000000, 0.0001469100000000 ] - [ -0.0024590300000000, 0.0017475200000000, -0.0002786400000000 ] - [ 0.0015457700000000, -0.0043817900000000, 0.0003864100000000 ] - [ 0.0380455800000000, 0.0022441000000000, -0.0067845000000000 ] - [ -0.0078376700000000, 0.0007675900000000, -0.0007833700000000 ] - [ -0.0000367600000000, 0.0022650500000000, 0.0003457100000000 ] - [ 0.0005520400000000, -0.0020525900000000, 0.0004163000000000 ] - [ 0.0174153200000000, -0.0083233700000000, 0.0022954600000000 ] - [ -0.0048156300000000, -0.0024350900000000, -0.0003425400000000 ] - [ 0.0010977000000000, 0.0052001400000000, 0.0003910100000000 ] - [ -0.0028255900000000, -0.0024859400000000, -0.0004467200000000 ] - [ 0.0009630400000000, -0.0002397700000000, 0.0005243900000000 ] - [ -0.0014867100000000, -0.0003961000000000, -0.0002525500000000 ] - [ 0.0009031500000000, 0.0010960600000000, -0.0001356200000000 ] - [ -0.0005065600000000, -0.0004823600000000, 0.0000867900000000 ] - [ 0.0157497500000000, 0.0000403300000000, 0.0041761700000000 ] - [ -0.0028837800000000, 0.0000946700000000, -0.0000679000000000 ] - [ -0.0006064500000000, 0.0013870400000000, 0.0000344100000000 ] - [ -0.0000523900000000, -0.0012896100000000, 0.0002033300000000 ] - [ 0.0017631300000000, -0.0008063400000000, 0.0021997100000000 ] - [ -0.0016703600000000, 0.0003563600000000, -0.0002344300000000 ] - [ -0.0002261000000000, 0.0010342100000000, 0.0003503600000000 ] - [ -0.0002383700000000, -0.0009106400000000, -0.0017216900000000 ] - [ -0.0027561300000000, 0.0011146700000000, 0.0025973900000000 ] - [ -0.0026013400000000, -0.0066681700000000, -0.0026139200000000 ] - [ 0.0027057500000000, -0.0016178200000000, -0.0003821300000000 ] - [ -0.0011641500000000, 0.0012396100000000, 0.0002465300000000 ] - [ 0.0028345000000000, 0.0005945100000000, 0.0023898200000000 ] - [ -0.0017125500000000, -0.0004642300000000, -0.0002198700000000 ] - [ 0.0000132700000000, 0.0003233300000000, -0.0018491300000000 ] - [ -0.0002261700000000, -0.0009739400000000, 0.0003099900000000 ] - [ 0.0006242000000000, -0.0000472300000000, -0.0044641200000000 ] - [ -0.0003343400000000, 0.0003069800000000, 0.0039570200000000 ] - [ 0.0001856200000000, 0.0008245200000000, -0.0000964900000000 ] - [ 0.0002959100000000, -0.0008019500000000, -0.0001317300000000 ] - [ -0.0026682000000000, 0.0065604500000000, -0.0029229800000000 ] - [ -0.0026081800000000, -0.0013632600000000, 0.0039078000000000 ] - [ 0.0034066200000000, 0.0024594800000000, 0.0003079800000000 ] - [ -0.0010314200000000, -0.0011315800000000, -0.0000973300000000 ] - [ -0.1181691200000000, 0.0023225300000000, -0.0079759500000000 ] - [ 0.0027609500000000, -0.0000433400000000, 0.0003967400000000 ] - [ 0.0004864900000000, -0.0013566000000000, -0.0002002900000000 ] - [ -0.0000363100000000, 0.0014829000000000, -0.0000988800000000 ] - [ -0.0024006500000000, 0.0000235500000000, 0.0002912800000000 ] - [ 0.0010336000000000, -0.0000520000000000, 0.0000657700000000 ] - [ 0.0001007900000000, -0.0005854700000000, 0.0000312500000000 ] - [ 0.0000705700000000, 0.0005015800000000, -0.0000512700000000 ] - [ -0.0049314600000000, 0.0064873600000000, -0.0058802300000000 ] - [ 0.0023295100000000, -0.0002679400000000, 0.0002323600000000 ] - [ 0.0004236400000000, -0.0012794100000000, -0.0002771100000000 ] - [ 0.0025517100000000, 0.0048146500000000, 0.0012468200000000 ] - [ -0.0010191600000000, 0.0004734800000000, -0.0000290300000000 ] - [ 0.0009001700000000, -0.0002433100000000, 0.0001274900000000 ] - [ 0.0002090600000000, -0.0006438400000000, -0.0000225400000000 ] - [ 0.0000417400000000, 0.0004422900000000, 0.0002226800000000 ] - [ -0.0007017100000000, 0.0000857800000000, -0.0013964700000000 ] - [ 0.0019499000000000, 0.0000612800000000, 0.0010568800000000 ] - [ -0.0001412400000000, -0.0009667400000000, 0.0002922200000000 ] - [ -0.0001308400000000, 0.0009069800000000, 0.0001387300000000 ] - [ -0.0015967700000000, 0.0051569000000000, -0.0063319900000000 ] - [ 0.0020494000000000, -0.0007279900000000, 0.0004962300000000 ] - [ 0.0008658000000000, -0.0009400400000000, -0.0003877300000000 ] - [ -0.0012861000000000, 0.0017521500000000, 0.0003211200000000 ] - [ -0.0024687700000000, 0.0004734400000000, 0.0026526600000000 ] - [ 0.0013878300000000, -0.0016527100000000, -0.0007532800000000 ] - [ 0.0009769700000000, -0.0000549400000000, 0.0004251400000000 ] - [ 0.0001919000000000, 0.0012427400000000, -0.0004936200000000 ] - [ 0.0190061300000000, 0.0018202200000000, 0.0156308000000000 ] - [ 0.0021984200000000, -0.0003137400000000, -0.0009200000000000 ] - [ 0.0001228500000000, -0.0008782200000000, -0.0001336000000000 ] - [ -0.0000526900000000, 0.0005128900000000, -0.0001073300000000 ] - [ 0.0031391600000000, -0.0021598300000000, -0.0004767100000000 ] - [ 0.0031459100000000, 0.0056894700000000, 0.0006610200000000 ] - [ -0.0032735400000000, 0.0009667400000000, -0.0007612900000000 ] - [ 0.0013903400000000, -0.0010805800000000, 0.0002194600000000 ] - [ 0.0004641300000000, -0.0001167100000000, -0.0009756800000000 ] - [ 0.0005345000000000, 0.0018188200000000, 0.0026865500000000 ] - [ -0.0010147400000000, 0.0007828600000000, -0.0006564800000000 ] - [ 0.0004554600000000, -0.0004569700000000, 0.0000384300000000 ] - [ -0.0011640500000000, -0.0004084000000000, 0.0001110100000000 ] - [ 0.0008420900000000, 0.0002024100000000, 0.0001494800000000 ] - [ 0.0000416000000000, -0.0001946500000000, 0.0000994800000000 ] - [ 0.0001314600000000, 0.0006129300000000, -0.0000258300000000 ] - [ 0.0063337200000000, -0.0007236500000000, 0.0119634800000000 ] - [ 0.0121959500000000, 0.0004547000000000, -0.0088594300000000 ] - [ -0.0001845000000000, -0.0009871200000000, -0.0000850700000000 ] - [ 0.0001028400000000, 0.0009733100000000, 0.0005333600000000 ] - [ -0.0000443000000000, -0.0002347000000000, 0.0003457400000000 ] - [ 0.0003475500000000, 0.0000184800000000, -0.0000927100000000 ] - [ -0.0001774600000000, -0.0004310900000000, -0.0000486700000000 ] - [ -0.0001763900000000, 0.0003839900000000, 0.0000094200000000 ] - [ -0.0041062700000000, -0.0067744900000000, -0.0075590300000000 ] - [ 0.0022247200000000, 0.0003166100000000, 0.0006685800000000 ] - [ 0.0025264100000000, -0.0050959400000000, 0.0041305300000000 ] - [ 0.0002538300000000, 0.0013136800000000, -0.0003596700000000 ] - [ -0.0022197200000000, -0.0110039400000000, -0.0071992600000000 ] - [ 0.0022602500000000, 0.0006066500000000, 0.0003726300000000 ] - [ -0.0012270800000000, -0.0020314600000000, 0.0003498500000000 ] - [ 0.0010396100000000, 0.0013578100000000, -0.0006572300000000 ] - [ -0.0020695100000000, -0.0008632700000000, 0.0005977100000000 ] - [ 0.0012402900000000, 0.0013234700000000, -0.0008652500000000 ] - [ 0.0000865600000000, -0.0010125300000000, -0.0006851200000000 ] - [ 0.0005751200000000, 0.0001472500000000, 0.0002958000000000 ] - [ 0.0004025300000000, -0.0016495300000000, 0.0024176700000000 ] - [ 0.0004645500000000, 0.0001486800000000, -0.0006969400000000 ] - [ -0.0009274600000000, -0.0008099500000000, -0.0013878800000000 ] - [ 0.0005347300000000, 0.0004716300000000, 0.0000710500000000 ] - [ 0.0038271500000000, -0.0052991100000000, 0.0006249000000000 ] - [ 0.0074037200000000, 0.0052043700000000, -0.0003603200000000 ] - [ -0.0029750200000000, -0.0013648300000000, -0.0001151000000000 ] - [ 0.0011113300000000, 0.0009184700000000, -0.0001592000000000 ]- atom: 49 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0014309000000000, -0.0000413900000000, 0.0014114800000000 ] - [ 0.0010357500000000, -0.0000449300000000, 0.0000020400000000 ] - [ 0.0002216200000000, -0.0007815400000000, -0.0001281700000000 ] - [ 0.0000583000000000, 0.0007481800000000, -0.0000603800000000 ] - [ -0.0010317000000000, -0.0003172900000000, -0.0013168900000000 ] - [ 0.0014885500000000, -0.0004603300000000, 0.0005396600000000 ] - [ 0.0005499100000000, -0.0005044000000000, -0.0003034800000000 ] - [ -0.0010969700000000, 0.0012192900000000, 0.0002232000000000 ] - [ -0.0169495800000000, -0.0051410600000000, -0.0066671500000000 ] - [ 0.0046377300000000, -0.0026936200000000, -0.0002408200000000 ] - [ 0.0024513700000000, -0.0017500700000000, 0.0001903500000000 ] - [ -0.0015286500000000, 0.0043618700000000, -0.0004682300000000 ] - [ -0.0353983600000000, -0.0020156300000000, 0.0056438600000000 ] - [ 0.0078489400000000, -0.0007676700000000, 0.0008182100000000 ] - [ 0.0000365900000000, -0.0022473300000000, -0.0003250900000000 ] - [ -0.0005599800000000, 0.0020336900000000, -0.0003997900000000 ] - [ -0.0174335400000000, 0.0087771500000000, -0.0025122300000000 ] - [ 0.0047837200000000, 0.0023980700000000, 0.0003517300000000 ] - [ -0.0010614200000000, -0.0051746600000000, -0.0003712300000000 ] - [ 0.0028222000000000, 0.0024938600000000, 0.0004763300000000 ] - [ -0.0009587700000000, 0.0002411400000000, -0.0004832300000000 ] - [ 0.0014793100000000, 0.0003897700000000, 0.0002775500000000 ] - [ -0.0008962200000000, -0.0010968400000000, 0.0001639800000000 ] - [ 0.0005006500000000, 0.0004767500000000, -0.0000596300000000 ] - [ -0.0158012600000000, -0.0000410700000000, -0.0043713500000000 ] - [ 0.0028798600000000, -0.0000860100000000, 0.0000742500000000 ] - [ 0.0006097400000000, -0.0013751000000000, -0.0000214700000000 ] - [ 0.0000510900000000, 0.0012929700000000, -0.0001915800000000 ] - [ -0.0017603000000000, 0.0007922800000000, -0.0021798300000000 ] - [ 0.0016569800000000, -0.0003671500000000, 0.0002561800000000 ] - [ 0.0002284400000000, -0.0010283700000000, -0.0003304200000000 ] - [ 0.0002366200000000, 0.0009071700000000, 0.0017338100000000 ] - [ 0.0027061500000000, -0.0010982300000000, -0.0025765700000000 ] - [ 0.0026126500000000, 0.0067043200000000, 0.0026296800000000 ] - [ -0.0026778100000000, 0.0016129100000000, 0.0004283400000000 ] - [ 0.0011635200000000, -0.0011938300000000, -0.0002158900000000 ] - [ -0.0028589400000000, -0.0006058800000000, -0.0023500700000000 ] - [ 0.0016747200000000, 0.0004463300000000, 0.0002620800000000 ] - [ -0.0000422100000000, -0.0003469700000000, 0.0018770600000000 ] - [ 0.0002024800000000, 0.0009428000000000, -0.0002708000000000 ] - [ -0.0006326800000000, 0.0000139600000000, 0.0045029500000000 ] - [ 0.0003354300000000, -0.0003383400000000, -0.0038743000000000 ] - [ -0.0001896200000000, -0.0008586200000000, 0.0001336300000000 ] - [ -0.0002981400000000, 0.0007669700000000, 0.0001699300000000 ] - [ 0.0027126700000000, -0.0065355200000000, 0.0029334200000000 ] - [ 0.0025964700000000, 0.0013946700000000, -0.0039042400000000 ] - [ -0.0033415800000000, -0.0023988500000000, -0.0002651000000000 ] - [ 0.0010566200000000, 0.0011396300000000, 0.0001280200000000 ] - [ 0.1153136300000000, -0.0025862200000000, 0.0099031300000000 ] - [ -0.0027284800000000, 0.0000801600000000, -0.0003461400000000 ] - [ -0.0004657100000000, 0.0013880200000000, 0.0002386600000000 ] - [ 0.0000597900000000, -0.0014457900000000, 0.0001449200000000 ] - [ 0.0023436300000000, -0.0000995700000000, -0.0002542800000000 ] - [ -0.0010731600000000, -0.0000222400000000, -0.0000306600000000 ] - [ -0.0001449000000000, 0.0005071500000000, 0.0000044600000000 ] - [ -0.0001127600000000, -0.0005787700000000, 0.0000773100000000 ] - [ 0.0049092700000000, -0.0063819700000000, 0.0059402300000000 ] - [ -0.0022739000000000, 0.0003500500000000, -0.0001891500000000 ] - [ -0.0003833800000000, 0.0013415100000000, 0.0003189300000000 ] - [ -0.0025011700000000, -0.0047158900000000, -0.0011951800000000 ] - [ 0.0009962800000000, -0.0005047900000000, 0.0000435100000000 ] - [ -0.0009137300000000, 0.0002114300000000, -0.0001044200000000 ] - [ -0.0002305600000000, 0.0006041000000000, 0.0000511600000000 ] - [ -0.0000580000000000, -0.0004720000000000, -0.0001983200000000 ] - [ 0.0007097000000000, -0.0000694700000000, 0.0012765200000000 ] - [ -0.0019357400000000, -0.0000364500000000, -0.0011726500000000 ] - [ 0.0001589900000000, 0.0009933000000000, -0.0004037500000000 ] - [ 0.0001459100000000, -0.0008743000000000, -0.0002502000000000 ] - [ 0.0016467000000000, -0.0051253000000000, 0.0062453800000000 ] - [ -0.0020671100000000, 0.0006936000000000, -0.0005330600000000 ] - [ -0.0008864300000000, 0.0009041300000000, 0.0003465900000000 ] - [ 0.0012587700000000, -0.0017737700000000, -0.0003599100000000 ] - [ 0.0024925300000000, -0.0004376200000000, -0.0027002600000000 ] - [ -0.0013582400000000, 0.0016746000000000, 0.0006982100000000 ] - [ -0.0009526100000000, 0.0000924100000000, -0.0004653200000000 ] - [ -0.0001702600000000, -0.0012067900000000, 0.0004517500000000 ] - [ -0.0188852600000000, -0.0018304000000000, -0.0154930200000000 ] - [ -0.0022100200000000, 0.0002814200000000, 0.0008193400000000 ] - [ -0.0001440600000000, 0.0008343300000000, 0.0000248300000000 ] - [ 0.0000296500000000, -0.0005432900000000, -0.0000018400000000 ] - [ -0.0031178900000000, 0.0021532000000000, 0.0005088500000000 ] - [ -0.0031110300000000, -0.0056690200000000, -0.0005958200000000 ] - [ 0.0032849600000000, -0.0009415800000000, 0.0007921900000000 ] - [ -0.0013669300000000, 0.0010328500000000, -0.0001842800000000 ] - [ -0.0004946000000000, 0.0001974500000000, 0.0010061500000000 ] - [ -0.0005802700000000, -0.0017313100000000, -0.0026315900000000 ] - [ 0.0009616600000000, -0.0006960900000000, 0.0006979600000000 ] - [ -0.0004966600000000, 0.0005295600000000, 0.0000072300000000 ] - [ 0.0011984300000000, 0.0004091800000000, -0.0000677000000000 ] - [ -0.0007953400000000, -0.0002018800000000, -0.0001125500000000 ] - [ -0.0000022500000000, 0.0001932600000000, -0.0000804100000000 ] - [ -0.0000942600000000, -0.0006074500000000, 0.0000532500000000 ] - [ -0.0063159600000000, 0.0006554200000000, -0.0120299900000000 ] - [ -0.0119596600000000, -0.0005225700000000, 0.0087606000000000 ] - [ 0.0002248200000000, 0.0009087200000000, 0.0001331100000000 ] - [ -0.0000617000000000, -0.0010560300000000, -0.0004914000000000 ] - [ 0.0000306400000000, 0.0002683500000000, -0.0003229500000000 ] - [ -0.0003702500000000, 0.0000196200000000, 0.0001340500000000 ] - [ 0.0001587800000000, 0.0004654100000000, 0.0000727400000000 ] - [ 0.0001575900000000, -0.0003504700000000, 0.0000164400000000 ] - [ 0.0039521600000000, 0.0067347200000000, 0.0075838400000000 ] - [ -0.0023053100000000, -0.0003206000000000, -0.0006417800000000 ] - [ -0.0026162000000000, 0.0050685600000000, -0.0040574600000000 ] - [ -0.0003450800000000, -0.0013002800000000, 0.0003989500000000 ] - [ 0.0023379800000000, 0.0109050600000000, 0.0070642600000000 ] - [ -0.0022603200000000, -0.0006281300000000, -0.0004725600000000 ] - [ 0.0012040200000000, 0.0019962000000000, -0.0004563400000000 ] - [ -0.0010387300000000, -0.0013918300000000, 0.0005548100000000 ] - [ 0.0020849300000000, 0.0008956300000000, -0.0007153100000000 ] - [ -0.0012207600000000, -0.0012814700000000, 0.0007447700000000 ] - [ -0.0000778000000000, 0.0010550600000000, 0.0005757800000000 ] - [ -0.0005558400000000, -0.0001140600000000, -0.0004065700000000 ] - [ -0.0003174600000000, 0.0016439200000000, -0.0023778900000000 ] - [ -0.0003551800000000, -0.0001499900000000, 0.0007111100000000 ] - [ 0.0010117900000000, 0.0008025700000000, 0.0014207500000000 ] - [ -0.0004417500000000, -0.0004660100000000, -0.0000455300000000 ] - [ -0.0038414700000000, 0.0052438800000000, -0.0005513800000000 ] - [ -0.0075042300000000, -0.0052792600000000, 0.0004097400000000 ] - [ 0.0029274900000000, 0.0013435000000000, 0.0001599600000000 ] - [ -0.0011471400000000, -0.0009087200000000, 0.0002084600000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0008297100000000, 0.0000384000000000, -0.0041794400000000 ] - [ 0.0007867700000000, -0.0001518900000000, -0.0021596800000000 ] - [ 0.0002529500000000, -0.0006806100000000, -0.0014422700000000 ] - [ 0.0004100800000000, 0.0007328900000000, -0.0015836700000000 ] - [ 0.0001312200000000, 0.0002272700000000, -0.0069235000000000 ] - [ -0.0007043300000000, 0.0001139200000000, -0.0012821600000000 ] - [ 0.0004508200000000, -0.0005530100000000, -0.0012821600000000 ] - [ -0.0004283400000000, -0.0007419000000000, -0.0017089900000000 ] - [ 0.0030966800000000, 0.0053636100000000, 0.0234060100000000 ] - [ 0.0003991100000000, -0.0005602800000000, 0.0012555100000000 ] - [ -0.0006847700000000, 0.0000655000000000, 0.0012555100000000 ] - [ 0.0013338100000000, 0.0023102300000000, 0.0028454000000000 ] - [ -0.0047125100000000, 0.0000437900000000, 0.0176557700000000 ] - [ -0.0029012800000000, 0.0000934000000000, 0.0035849700000000 ] - [ 0.0002294200000000, 0.0004761600000000, 0.0017469200000000 ] - [ 0.0010408700000000, -0.0014219800000000, 0.0021805600000000 ] - [ 0.0023941800000000, -0.0040592500000000, 0.0176557700000000 ] - [ 0.0002976500000000, 0.0004367700000000, 0.0017469200000000 ] - [ 0.0015315200000000, -0.0024658800000000, 0.0035849700000000 ] - [ -0.0017519100000000, 0.0001904300000000, 0.0021805600000000 ] - [ 0.0004481100000000, -0.0006993500000000, -0.0041794400000000 ] - [ -0.0007159000000000, -0.0001212500000000, -0.0014422700000000 ] - [ -0.0005249300000000, 0.0006054200000000, -0.0021596800000000 ] - [ 0.0004296600000000, 0.0007215800000000, -0.0015836700000000 ] - [ 0.0025023100000000, 0.0043341300000000, 0.0789146000000000 ] - [ -0.0002222800000000, 0.0000059100000000, 0.0007399700000000 ] - [ 0.0001162600000000, -0.0001895500000000, 0.0007399700000000 ] - [ -0.0000075500000000, -0.0000130800000000, 0.0011500600000000 ] - [ 0.0003394600000000, 0.0005879600000000, -0.0056641100000000 ] - [ -0.0003943800000000, 0.0004899300000000, -0.0008782300000000 ] - [ 0.0006214800000000, -0.0000965800000000, -0.0008782300000000 ] - [ -0.0007103300000000, -0.0012303300000000, -0.0035029600000000 ] - [ 0.0075347200000000, 0.0007232000000000, 0.0011375200000000 ] - [ -0.0028809700000000, -0.0071043900000000, 0.0011925000000000 ] - [ -0.0036074200000000, 0.0064140600000000, 0.0029895500000000 ] - [ -0.0002138800000000, 0.0000296900000000, 0.0006971500000000 ] - [ 0.0004915700000000, -0.0003811500000000, -0.0059456300000000 ] - [ -0.0004899200000000, -0.0003372400000000, -0.0008871500000000 ] - [ -0.0006027000000000, 0.0008599400000000, -0.0018720600000000 ] - [ 0.0006404900000000, -0.0002512000000000, -0.0009789100000000 ] - [ -0.0005758700000000, 0.0002351400000000, -0.0059456300000000 ] - [ 0.0010460800000000, -0.0000919800000000, -0.0018720600000000 ] - [ -0.0000471000000000, -0.0005929000000000, -0.0008871500000000 ] - [ -0.0005377900000000, 0.0004290800000000, -0.0009789100000000 ] - [ -0.0031410500000000, 0.0068868600000000, 0.0011375200000000 ] - [ 0.0073584500000000, 0.0000829200000000, 0.0029895500000000 ] - [ -0.0047121000000000, -0.0060471900000000, 0.0011925000000000 ] - [ 0.0001326500000000, -0.0001703800000000, 0.0006971500000000 ] - [ -0.0089650500000000, -0.0155279300000000, -0.1813316800000000 ] - [ 0.0003826100000000, -0.0000213500000000, -0.0013844100000000 ] - [ -0.0002098000000000, 0.0003206800000000, -0.0013844100000000 ] - [ -0.0001096100000000, -0.0001898400000000, -0.0018616100000000 ] - [ 0.0001974400000000, 0.0003419800000000, 0.0019391300000000 ] - [ -0.0000588300000000, 0.0000156600000000, 0.0004671300000000 ] - [ 0.0000429800000000, -0.0000431200000000, 0.0004671300000000 ] - [ -0.0000240100000000, -0.0000415900000000, 0.0004649900000000 ] - [ -0.0062924900000000, -0.0108989200000000, 0.0089536000000000 ] - [ 0.0004192400000000, -0.0003071200000000, -0.0003972700000000 ] - [ -0.0004755900000000, 0.0002095100000000, -0.0003972700000000 ] - [ 0.0045621200000000, 0.0079018200000000, 0.0018068000000000 ] - [ 0.0000253200000000, 0.0000438500000000, 0.0021990100000000 ] - [ -0.0001270200000000, -0.0000436500000000, 0.0012832800000000 ] - [ 0.0000257100000000, -0.0001318300000000, 0.0012832800000000 ] - [ -0.0002197400000000, -0.0003806100000000, 0.0020445500000000 ] - [ -0.0009955300000000, -0.0000649000000000, 0.0021752300000000 ] - [ 0.0016682700000000, 0.0000781500000000, 0.0016803100000000 ] - [ -0.0001178900000000, -0.0003648900000000, 0.0007052100000000 ] - [ -0.0003436200000000, 0.0005813100000000, 0.0009011400000000 ] - [ -0.0102879300000000, -0.0178192100000000, 0.0121521000000000 ] - [ 0.0009088100000000, -0.0006079200000000, -0.0003694400000000 ] - [ -0.0009808800000000, 0.0004830900000000, -0.0003694400000000 ] - [ 0.0006025400000000, 0.0010436300000000, -0.0005789700000000 ] - [ 0.0003770000000000, 0.0006529900000000, 0.0032249800000000 ] - [ -0.0002624800000000, 0.0004294700000000, 0.0004954600000000 ] - [ 0.0005031800000000, -0.0000125800000000, 0.0004954600000000 ] - [ -0.0011557400000000, -0.0020017900000000, 0.0012767700000000 ] - [ 0.0276629000000000, 0.0016977400000000, 0.0068092500000000 ] - [ -0.0010978500000000, -0.0001219400000000, -0.0011025100000000 ] - [ 0.0001211300000000, 0.0011136100000000, -0.0007033200000000 ] - [ -0.0000489900000000, -0.0006297900000000, -0.0009238000000000 ] - [ 0.0006485300000000, -0.0002331500000000, -0.0045854400000000 ] - [ -0.0004906600000000, -0.0004245000000000, -0.0045853800000000 ] - [ -0.0007626100000000, 0.0008838100000000, -0.0054515900000000 ] - [ 0.0002173700000000, 0.0000643300000000, -0.0013085200000000 ] - [ -0.0015213100000000, -0.0000838100000000, 0.0024325900000000 ] - [ 0.0007811900000000, 0.0014194500000000, 0.0027299300000000 ] - [ 0.0013842600000000, -0.0019941200000000, 0.0024373400000000 ] - [ 0.0000196700000000, -0.0000421300000000, 0.0005121300000000 ] - [ 0.0004522200000000, -0.0001370300000000, 0.0025761200000000 ] - [ -0.0000192000000000, -0.0000198000000000, 0.0014230500000000 ] - [ 0.0000050900000000, 0.0001175800000000, 0.0014408300000000 ] - [ 0.0000960900000000, 0.0001133100000000, 0.0014168000000000 ] - [ 0.0115674700000000, -0.0017254300000000, 0.0083626100000000 ] - [ -0.0032365600000000, -0.0002122500000000, 0.0023884900000000 ] - [ -0.0001015800000000, 0.0005351900000000, -0.0003842400000000 ] - [ 0.0004830800000000, -0.0001844900000000, -0.0004152900000000 ] - [ -0.0003447800000000, 0.0003231200000000, 0.0025761200000000 ] - [ 0.0000992800000000, 0.0000631900000000, 0.0014408300000000 ] - [ -0.0000075400000000, -0.0000265200000000, 0.0014230500000000 ] - [ 0.0000500800000000, 0.0001398700000000, 0.0014168000000000 ] - [ -0.0072780000000000, 0.0091550100000000, 0.0083626100000000 ] - [ 0.0005142800000000, 0.0001796300000000, -0.0003842400000000 ] - [ 0.0014344700000000, -0.0029090700000000, 0.0023884900000000 ] - [ -0.0004013200000000, 0.0003261100000000, -0.0004152900000000 ] - [ -0.0123611700000000, 0.0248056400000000, 0.0068092500000000 ] - [ 0.0009038500000000, 0.0006617100000000, -0.0007033200000000 ] - [ 0.0004433200000000, -0.0010117300000000, -0.0011025100000000 ] - [ -0.0005209200000000, -0.0003573200000000, -0.0009238000000000 ] - [ 0.0004415600000000, -0.0008946000000000, 0.0021752300000000 ] - [ -0.0002570500000000, -0.0002845400000000, 0.0007052100000000 ] - [ -0.0007664500000000, 0.0014838400000000, 0.0016803100000000 ] - [ 0.0006752400000000, -0.0000069300000000, 0.0009011400000000 ] - [ 0.0006880700000000, -0.0013594000000000, 0.0024325900000000 ] - [ -0.0024190900000000, 0.0002017400000000, 0.0024373400000000 ] - [ 0.0008386800000000, 0.0013862500000000, 0.0027299300000000 ] - [ -0.0000463200000000, -0.0000040300000000, 0.0005121300000000 ] - [ -0.0005261800000000, 0.0004450600000000, -0.0045854400000000 ] - [ 0.0011467100000000, -0.0002185300000000, -0.0054515900000000 ] - [ -0.0001223000000000, -0.0006371800000000, -0.0045853800000000 ] - [ -0.0000529700000000, 0.0002204100000000, -0.0013085200000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0008250400000000, -0.0000403600000000, 0.0042010700000000 ] - [ -0.0007863400000000, 0.0001461300000000, 0.0021818800000000 ] - [ -0.0002546000000000, 0.0006780200000000, 0.0014623100000000 ] - [ -0.0004115300000000, -0.0007289500000000, 0.0016041000000000 ] - [ -0.0001347800000000, -0.0002334500000000, 0.0068185500000000 ] - [ 0.0007034900000000, -0.0001156200000000, 0.0011914100000000 ] - [ -0.0004518700000000, 0.0005514300000000, 0.0011914100000000 ] - [ 0.0004279600000000, 0.0007412600000000, 0.0016206600000000 ] - [ -0.0035192200000000, -0.0060954800000000, -0.0238902000000000 ] - [ -0.0003901300000000, 0.0005524300000000, -0.0013406600000000 ] - [ 0.0006734800000000, -0.0000616400000000, -0.0013406600000000 ] - [ -0.0013307800000000, -0.0023049800000000, -0.0029467500000000 ] - [ 0.0049946000000000, -0.0000379300000000, -0.0176158000000000 ] - [ 0.0028951500000000, -0.0000914400000000, -0.0035765800000000 ] - [ -0.0002262000000000, -0.0004620700000000, -0.0017141200000000 ] - [ -0.0010453300000000, 0.0014249400000000, -0.0021611100000000 ] - [ -0.0025301500000000, 0.0043064800000000, -0.0176158000000000 ] - [ -0.0002870700000000, -0.0004269300000000, -0.0017141200000000 ] - [ -0.0015267700000000, 0.0024615600000000, -0.0035765800000000 ] - [ 0.0017566900000000, -0.0001928100000000, -0.0021611100000000 ] - [ -0.0004474800000000, 0.0006943300000000, 0.0042010700000000 ] - [ 0.0007144800000000, 0.0001185200000000, 0.0014623100000000 ] - [ 0.0005197200000000, -0.0006079300000000, 0.0021818800000000 ] - [ -0.0004255200000000, -0.0007208600000000, 0.0016041000000000 ] - [ -0.0021824800000000, -0.0037801700000000, -0.0727114100000000 ] - [ 0.0002218400000000, 0.0000015700000000, -0.0007222000000000 ] - [ -0.0001095600000000, 0.0001929000000000, -0.0007222000000000 ] - [ 0.0000141900000000, 0.0000245800000000, -0.0011332300000000 ] - [ -0.0003413600000000, -0.0005912600000000, 0.0056820600000000 ] - [ 0.0003955600000000, -0.0004996700000000, 0.0008898300000000 ] - [ -0.0006305100000000, 0.0000927300000000, 0.0008898300000000 ] - [ 0.0007087800000000, 0.0012276400000000, 0.0035190400000000 ] - [ -0.0075280400000000, -0.0006743200000000, -0.0010941700000000 ] - [ 0.0028925600000000, 0.0071290800000000, -0.0011505800000000 ] - [ 0.0035868100000000, -0.0063619400000000, -0.0029330700000000 ] - [ 0.0002163100000000, 0.0000067200000000, -0.0006593400000000 ] - [ -0.0005217200000000, 0.0003588700000000, 0.0059920800000000 ] - [ 0.0004667900000000, 0.0003183700000000, 0.0009197600000000 ] - [ 0.0005742200000000, -0.0008861500000000, 0.0018869000000000 ] - [ -0.0006731000000000, 0.0002345300000000, 0.0010128300000000 ] - [ 0.0005716600000000, -0.0002723900000000, 0.0059920800000000 ] - [ -0.0010545400000000, 0.0000542100000000, 0.0018869000000000 ] - [ 0.0000423200000000, 0.0005634400000000, 0.0009197600000000 ] - [ 0.0005396600000000, -0.0004656500000000, 0.0010128300000000 ] - [ 0.0031800500000000, -0.0068566400000000, -0.0010941700000000 ] - [ -0.0073030100000000, -0.0000747000000000, -0.0029330700000000 ] - [ 0.0047276800000000, 0.0060695700000000, -0.0011505800000000 ] - [ -0.0001023400000000, 0.0001906900000000, -0.0006593400000000 ] - [ 0.0089434700000000, 0.0154905500000000, 0.1755668600000000 ] - [ -0.0003651100000000, 0.0000573800000000, 0.0014181000000000 ] - [ 0.0002322500000000, -0.0002875100000000, 0.0014181000000000 ] - [ 0.0001302100000000, 0.0002255400000000, 0.0018942800000000 ] - [ -0.0002433300000000, -0.0004214600000000, -0.0019696400000000 ] - [ 0.0000138400000000, -0.0000921600000000, -0.0004323600000000 ] - [ -0.0000867300000000, -0.0000341000000000, -0.0004323600000000 ] - [ -0.0000222000000000, -0.0000384500000000, -0.0004231200000000 ] - [ 0.0064153600000000, 0.0111117400000000, -0.0089749500000000 ] - [ -0.0003795200000000, 0.0003850600000000, 0.0004384300000000 ] - [ 0.0005232300000000, -0.0001361500000000, 0.0004384300000000 ] - [ -0.0045403100000000, -0.0078640500000000, -0.0017901700000000 ] - [ -0.0000462800000000, -0.0000801500000000, -0.0021589900000000 ] - [ 0.0001049700000000, 0.0000090200000000, -0.0012463200000000 ] - [ -0.0000446700000000, 0.0000954100000000, -0.0012463200000000 ] - [ 0.0001979300000000, 0.0003428300000000, -0.0020106800000000 ] - [ 0.0010198000000000, 0.0000997000000000, -0.0022834500000000 ] - [ -0.0016542300000000, -0.0000452100000000, -0.0017951700000000 ] - [ 0.0001176600000000, 0.0003882500000000, -0.0008125400000000 ] - [ 0.0003664800000000, -0.0005398200000000, -0.0010150000000000 ] - [ 0.0101182800000000, 0.0175253800000000, -0.0120751800000000 ] - [ -0.0009238700000000, 0.0005728000000000, 0.0003269800000000 ] - [ 0.0009579900000000, -0.0005137000000000, 0.0003269800000000 ] - [ -0.0006236600000000, -0.0010802200000000, 0.0005346000000000 ] - [ -0.0003613900000000, -0.0006259500000000, -0.0032600300000000 ] - [ 0.0002755700000000, -0.0003841700000000, -0.0005330300000000 ] - [ -0.0004704900000000, 0.0000465600000000, -0.0005330300000000 ] - [ 0.0011705300000000, 0.0020274100000000, -0.0013158100000000 ] - [ -0.0273676800000000, -0.0017120000000000, -0.0068882600000000 ] - [ 0.0010761800000000, 0.0000924300000000, 0.0009901400000000 ] - [ -0.0001407200000000, -0.0011404800000000, 0.0005895500000000 ] - [ 0.0000312300000000, 0.0005998800000000, 0.0008095000000000 ] - [ -0.0006186100000000, 0.0001873400000000, 0.0046022500000000 ] - [ 0.0004948900000000, 0.0003846600000000, 0.0046056000000000 ] - [ 0.0007869200000000, -0.0008928900000000, 0.0054836400000000 ] - [ -0.0001994200000000, -0.0001012800000000, 0.0013305700000000 ] - [ 0.0014766700000000, 0.0001614900000000, -0.0023870200000000 ] - [ -0.0008269600000000, -0.0013375800000000, -0.0026870200000000 ] - [ -0.0014224100000000, 0.0020668800000000, -0.0023891000000000 ] - [ -0.0000627800000000, 0.0001194800000000, -0.0004651200000000 ] - [ -0.0004108100000000, 0.0001392300000000, -0.0025397100000000 ] - [ 0.0000599400000000, 0.0000201100000000, -0.0013929800000000 ] - [ 0.0000371200000000, -0.0001149500000000, -0.0013999500000000 ] - [ -0.0000570000000000, -0.0001121600000000, -0.0014022600000000 ] - [ -0.0116789800000000, 0.0016738400000000, -0.0083815300000000 ] - [ 0.0032164600000000, 0.0001297400000000, -0.0023137500000000 ] - [ 0.0001456700000000, -0.0006167200000000, 0.0004310900000000 ] - [ -0.0004409000000000, 0.0001055300000000, 0.0004762000000000 ] - [ 0.0003259900000000, -0.0002861600000000, -0.0025397100000000 ] - [ -0.0001181100000000, -0.0000253300000000, -0.0013999500000000 ] - [ -0.0000125500000000, 0.0000619600000000, -0.0013929800000000 ] - [ -0.0000686300000000, -0.0001054400000000, -0.0014022600000000 ] - [ 0.0072890800000000, -0.0092773800000000, -0.0083815300000000 ] - [ -0.0006069300000000, -0.0001822100000000, 0.0004310900000000 ] - [ -0.0014958700000000, 0.0028504100000000, -0.0023137500000000 ] - [ 0.0003118400000000, -0.0003290700000000, 0.0004762000000000 ] - [ 0.0122012100000000, -0.0245571100000000, -0.0068882600000000 ] - [ -0.0009173200000000, -0.0006921100000000, 0.0005895500000000 ] - [ -0.0004580500000000, 0.0009782100000000, 0.0009901400000000 ] - [ 0.0005038900000000, 0.0003269800000000, 0.0008095000000000 ] - [ -0.0004235500000000, 0.0009330200000000, -0.0022834500000000 ] - [ 0.0002774100000000, 0.0002960200000000, -0.0008125400000000 ] - [ 0.0007879600000000, -0.0014552100000000, -0.0017951700000000 ] - [ -0.0006507300000000, 0.0000474700000000, -0.0010150000000000 ] - [ -0.0005984800000000, 0.0013595800000000, -0.0023870200000000 ] - [ 0.0025011800000000, -0.0001984000000000, -0.0023891000000000 ] - [ -0.0007448900000000, -0.0013849600000000, -0.0026870200000000 ] - [ 0.0001348700000000, 0.0000053700000000, -0.0004651200000000 ] - [ 0.0004715500000000, -0.0004420600000000, 0.0046022500000000 ] - [ -0.0011667200000000, 0.0002350500000000, 0.0054836400000000 ] - [ 0.0000856800000000, 0.0006209200000000, 0.0046056000000000 ] - [ 0.0000120000000000, -0.0002233500000000, 0.0013305700000000 ]- atom: 53 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0196883600000000, -0.0011274000000000, 0.0091761100000000 ] - [ -0.0064279000000000, -0.0007033300000000, 0.0010351100000000 ] - [ 0.0006214600000000, 0.0021841600000000, -0.0001642700000000 ] - [ 0.0000165700000000, -0.0022263400000000, -0.0000541800000000 ] - [ 0.0170418900000000, 0.0056334300000000, 0.0008268700000000 ] - [ -0.0046031400000000, 0.0024412600000000, 0.0002643000000000 ] - [ -0.0026473700000000, 0.0021920700000000, 0.0001983300000000 ] - [ 0.0010833300000000, -0.0053733000000000, -0.0005293200000000 ] - [ 0.0009604100000000, 0.0001892600000000, -0.0006062300000000 ] - [ -0.0013233400000000, 0.0004464600000000, 0.0000891500000000 ] - [ -0.0005023100000000, 0.0004837000000000, -0.0001266300000000 ] - [ 0.0008262200000000, -0.0010322000000000, -0.0001142000000000 ] - [ 0.0016158700000000, -0.0000251100000000, 0.0026759300000000 ] - [ -0.0010551100000000, -0.0000477600000000, -0.0004127000000000 ] - [ -0.0001072000000000, 0.0007760200000000, -0.0001655400000000 ] - [ -0.0002043700000000, -0.0007773000000000, -0.0002604500000000 ] - [ 0.0011373700000000, -0.0003673000000000, -0.0015995500000000 ] - [ -0.0014330600000000, -0.0004912100000000, 0.0003792300000000 ] - [ 0.0009671700000000, 0.0011751400000000, 0.0000973100000000 ] - [ -0.0005196100000000, -0.0005141500000000, -0.0002265900000000 ] - [ 0.0163256800000000, -0.0022413100000000, -0.0047742500000000 ] - [ -0.0048559000000000, -0.0028550000000000, -0.0004082200000000 ] - [ 0.0015459900000000, 0.0046983600000000, -0.0004892600000000 ] - [ -0.0022702300000000, -0.0016398400000000, 0.0001779700000000 ] - [ 0.0157400000000000, 0.0003460700000000, 0.0040364600000000 ] - [ -0.0023309100000000, -0.0000550100000000, 0.0003015000000000 ] - [ -0.0001157300000000, 0.0012213100000000, -0.0001468300000000 ] - [ -0.0005978400000000, -0.0013437300000000, 0.0000451000000000 ] - [ 0.0028661000000000, -0.0012191700000000, -0.0021714900000000 ] - [ -0.0015279000000000, 0.0004571900000000, 0.0002039600000000 ] - [ -0.0003616600000000, 0.0008927300000000, -0.0003009100000000 ] - [ 0.0001876300000000, -0.0003672100000000, 0.0016989600000000 ] - [ -0.0028773500000000, 0.0012316800000000, -0.0033475100000000 ] - [ -0.0027695100000000, -0.0048782800000000, 0.0034347200000000 ] - [ 0.0035995100000000, -0.0025952000000000, -0.0005462100000000 ] - [ -0.0009444900000000, 0.0010699200000000, 0.0001989700000000 ] - [ 0.0019062800000000, 0.0014222700000000, -0.0019827000000000 ] - [ -0.0014615900000000, -0.0003939800000000, 0.0001858400000000 ] - [ -0.0000306300000000, 0.0007534900000000, 0.0017491600000000 ] - [ -0.0003763400000000, -0.0009592800000000, -0.0003204300000000 ] - [ 0.0003133700000000, 0.0000658600000000, 0.0041109700000000 ] - [ -0.0014520500000000, -0.0002252200000000, -0.0032649500000000 ] - [ 0.0002613200000000, 0.0008335200000000, 0.0001244900000000 ] - [ 0.0002628200000000, -0.0009077900000000, 0.0000899800000000 ] - [ -0.0025877400000000, 0.0047931600000000, 0.0029306200000000 ] - [ -0.0030221900000000, -0.0007855000000000, -0.0022367700000000 ] - [ 0.0030284200000000, 0.0019554200000000, 0.0003013500000000 ] - [ -0.0010782200000000, -0.0011189700000000, -0.0000286400000000 ] - [ -0.0023645700000000, 0.0000817700000000, 0.0002429300000000 ] - [ 0.0010650700000000, 0.0000102700000000, -0.0000205100000000 ] - [ 0.0001343400000000, -0.0005352000000000, 0.0000838300000000 ] - [ 0.0001021400000000, 0.0005575300000000, 0.0000182600000000 ] - [ -0.0936866500000000, -0.0037245000000000, -0.0098758800000000 ] - [ 0.0024730700000000, 0.0000350800000000, -0.0002288200000000 ] - [ 0.0000234200000000, -0.0013818000000000, 0.0001109900000000 ] - [ 0.0004352500000000, 0.0011701500000000, 0.0001959400000000 ] - [ -0.0013056600000000, 0.0007732000000000, 0.0002378600000000 ] - [ 0.0007960600000000, -0.0000998900000000, -0.0000757600000000 ] - [ 0.0001410600000000, -0.0004801000000000, 0.0001086600000000 ] - [ 0.0000537700000000, 0.0002245700000000, -0.0000242500000000 ] - [ -0.0049550700000000, 0.0064399000000000, 0.0063599200000000 ] - [ 0.0022949100000000, -0.0002300500000000, -0.0003889300000000 ] - [ 0.0003938500000000, -0.0014296200000000, 0.0005136000000000 ] - [ 0.0025124200000000, 0.0047517100000000, -0.0045380400000000 ] - [ -0.0011584100000000, -0.0000065400000000, 0.0038643700000000 ] - [ 0.0022688800000000, -0.0001140800000000, -0.0010188300000000 ] - [ -0.0002473900000000, -0.0010074100000000, -0.0002508000000000 ] - [ -0.0002038300000000, 0.0011168600000000, -0.0003423400000000 ] - [ -0.0006981300000000, 0.0114687500000000, 0.0070883800000000 ] - [ 0.0019737700000000, -0.0003852300000000, -0.0005652200000000 ] - [ 0.0009422600000000, -0.0013221900000000, 0.0004851900000000 ] - [ -0.0012593000000000, 0.0020068100000000, -0.0004967900000000 ] - [ -0.0020296100000000, 0.0008358700000000, -0.0006163100000000 ] - [ 0.0010904200000000, -0.0009477500000000, 0.0005426300000000 ] - [ 0.0005900700000000, -0.0000840900000000, -0.0003669000000000 ] - [ 0.0001474200000000, 0.0010636700000000, 0.0005812900000000 ] - [ 0.0079928100000000, -0.0007972200000000, -0.0128509600000000 ] - [ 0.0017616200000000, 0.0002230000000000, 0.0006871100000000 ] - [ -0.0000314300000000, -0.0006210300000000, 0.0000154100000000 ] - [ 0.0000945700000000, 0.0008484100000000, 0.0000504200000000 ] - [ 0.0005752100000000, -0.0000926600000000, 0.0008238300000000 ] - [ 0.0004860700000000, 0.0015595100000000, -0.0014857400000000 ] - [ -0.0009810700000000, 0.0006417800000000, 0.0014164600000000 ] - [ 0.0004854100000000, -0.0004810400000000, 0.0000504300000000 ] - [ 0.0061712900000000, -0.0035186300000000, 0.0002640300000000 ] - [ 0.0062295600000000, 0.0054617600000000, -0.0006877800000000 ] - [ -0.0026512700000000, 0.0016361600000000, -0.0002084200000000 ] - [ 0.0008952000000000, -0.0008317400000000, 0.0002008400000000 ] - [ -0.0053051100000000, -0.0060361600000000, 0.0043446200000000 ] - [ 0.0022264000000000, 0.0002066000000000, 0.0001207800000000 ] - [ 0.0033661400000000, -0.0055361200000000, -0.0017521000000000 ] - [ 0.0005055900000000, 0.0013516000000000, 0.0004533200000000 ] - [ -0.0000347700000000, 0.0001878800000000, -0.0001981400000000 ] - [ 0.0007574800000000, -0.0000325300000000, 0.0003856600000000 ] - [ -0.0001333700000000, -0.0003656800000000, 0.0000617300000000 ] - [ -0.0001328500000000, 0.0003218100000000, 0.0001066600000000 ] - [ 0.0063010200000000, 0.0007892700000000, -0.0115611200000000 ] - [ 0.0121255700000000, -0.0003894400000000, 0.0032497300000000 ] - [ 0.0000703900000000, -0.0011634200000000, -0.0004465200000000 ] - [ -0.0002146100000000, 0.0011245700000000, 0.0001351900000000 ] - [ -0.0011053600000000, -0.0008053700000000, 0.0003415800000000 ] - [ 0.0007301400000000, 0.0001717700000000, -0.0000615700000000 ] - [ 0.0000012800000000, -0.0004060400000000, -0.0001267000000000 ] - [ 0.0001294000000000, 0.0005176500000000, 0.0001056600000000 ] - [ -0.0007525000000000, -0.0059910800000000, 0.0070004100000000 ] - [ 0.0018091200000000, 0.0004934800000000, -0.0006450800000000 ] - [ -0.0012248300000000, -0.0016973300000000, -0.0004320900000000 ] - [ 0.0008373500000000, 0.0008666300000000, 0.0002650300000000 ] - [ -0.0024438500000000, -0.0006357100000000, -0.0021611000000000 ] - [ 0.0012381800000000, 0.0012669900000000, 0.0005693300000000 ] - [ 0.0002447200000000, -0.0011528900000000, 0.0003598600000000 ] - [ 0.0009757900000000, 0.0001107000000000, -0.0004519500000000 ] - [ 0.0051168200000000, -0.0060940400000000, -0.0007222400000000 ] - [ 0.0028323400000000, 0.0015233100000000, 0.0003448300000000 ] - [ -0.0026731500000000, -0.0015971500000000, 0.0004644300000000 ] - [ 0.0013343600000000, 0.0010854500000000, -0.0001445400000000 ] - [ 0.0006094600000000, -0.0017292700000000, -0.0015827100000000 ] - [ 0.0004651500000000, 0.0001068600000000, 0.0010830900000000 ] - [ -0.0011662200000000, -0.0007849300000000, 0.0008725800000000 ] - [ 0.0004403600000000, 0.0004850000000000, 0.0000667200000000 ]- atom: 53 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0182315100000000, 0.0009954900000000, -0.0079837400000000 ] - [ 0.0064286100000000, 0.0007090800000000, -0.0010189200000000 ] - [ -0.0006260500000000, -0.0021747400000000, 0.0001952100000000 ] - [ -0.0000189000000000, 0.0022122300000000, 0.0000811200000000 ] - [ -0.0171857500000000, -0.0061598200000000, -0.0006561300000000 ] - [ 0.0045779000000000, -0.0024213600000000, -0.0003444500000000 ] - [ 0.0026407400000000, -0.0022045100000000, -0.0002915400000000 ] - [ -0.0010607600000000, 0.0053472600000000, 0.0004471500000000 ] - [ -0.0009561700000000, -0.0001930100000000, 0.0004998400000000 ] - [ 0.0013221100000000, -0.0004399200000000, -0.0001862400000000 ] - [ 0.0005002900000000, -0.0004772900000000, 0.0000319900000000 ] - [ -0.0008237900000000, 0.0010347900000000, 0.0000188600000000 ] - [ -0.0016070900000000, 0.0000259900000000, -0.0026801600000000 ] - [ 0.0010428000000000, 0.0000520900000000, 0.0004325100000000 ] - [ 0.0001036300000000, -0.0007700200000000, 0.0001838300000000 ] - [ 0.0002027600000000, 0.0007760200000000, 0.0002810900000000 ] - [ -0.0011302500000000, 0.0003732000000000, 0.0015919300000000 ] - [ 0.0014376300000000, 0.0004871900000000, -0.0003598200000000 ] - [ -0.0009615300000000, -0.0011762900000000, -0.0000801900000000 ] - [ 0.0005196500000000, 0.0005092500000000, 0.0002465400000000 ] - [ -0.0164804700000000, 0.0026854400000000, 0.0051833400000000 ] - [ 0.0048249700000000, 0.0028319100000000, 0.0004291000000000 ] - [ -0.0015337300000000, -0.0046824100000000, 0.0005149900000000 ] - [ 0.0022640200000000, 0.0016397600000000, -0.0001522500000000 ] - [ -0.0156905000000000, -0.0003268600000000, -0.0037389800000000 ] - [ 0.0023311100000000, 0.0000628100000000, -0.0002772900000000 ] - [ 0.0001158900000000, -0.0012123800000000, 0.0001656600000000 ] - [ 0.0006013800000000, 0.0013470000000000, -0.0000280400000000 ] - [ -0.0028600200000000, 0.0011928300000000, 0.0021753100000000 ] - [ 0.0015184300000000, -0.0004644700000000, -0.0001955000000000 ] - [ 0.0003588000000000, -0.0008905900000000, 0.0003107400000000 ] - [ -0.0001890600000000, 0.0003647600000000, -0.0016806000000000 ] - [ 0.0028395400000000, -0.0012061100000000, 0.0034148100000000 ] - [ 0.0027858000000000, 0.0049301100000000, -0.0033591700000000 ] - [ -0.0035737500000000, 0.0025973900000000, 0.0005748500000000 ] - [ 0.0009423000000000, -0.0010264900000000, -0.0001594400000000 ] - [ -0.0019228600000000, -0.0014206000000000, 0.0020080500000000 ] - [ 0.0014279600000000, 0.0003760200000000, -0.0001563900000000 ] - [ 0.0000043100000000, -0.0007785100000000, -0.0017139000000000 ] - [ 0.0003497100000000, 0.0009316500000000, 0.0003497700000000 ] - [ -0.0003159100000000, -0.0001016300000000, -0.0040837100000000 ] - [ 0.0014294800000000, 0.0001894400000000, 0.0032690300000000 ] - [ -0.0002643800000000, -0.0008660000000000, -0.0000922000000000 ] - [ -0.0002648800000000, 0.0008713700000000, -0.0000566500000000 ] - [ 0.0026280100000000, -0.0047923400000000, -0.0028621100000000 ] - [ 0.0030087100000000, 0.0008198500000000, 0.0022807600000000 ] - [ -0.0029746100000000, -0.0018960200000000, -0.0002733400000000 ] - [ 0.0011076500000000, 0.0011331200000000, 0.0000699600000000 ] - [ 0.0023782500000000, -0.0000439100000000, -0.0001999400000000 ] - [ -0.0010423400000000, 0.0000264300000000, 0.0000587800000000 ] - [ -0.0001127600000000, 0.0005676100000000, -0.0000486400000000 ] - [ -0.0000818800000000, -0.0005240700000000, 0.0000250700000000 ] - [ 0.0922803900000000, 0.0038686700000000, 0.0077938700000000 ] - [ -0.0025103000000000, -0.0001104800000000, 0.0002549600000000 ] - [ -0.0000649100000000, 0.0013009100000000, -0.0000762000000000 ] - [ -0.0004788900000000, -0.0012473100000000, -0.0001708900000000 ] - [ 0.0013424800000000, -0.0006921700000000, -0.0001741600000000 ] - [ -0.0007490000000000, 0.0001766500000000, 0.0001316700000000 ] - [ -0.0000986500000000, 0.0005508400000000, -0.0000557800000000 ] - [ -0.0000086800000000, -0.0001473300000000, 0.0000696300000000 ] - [ 0.0048875400000000, -0.0064271900000000, -0.0063507200000000 ] - [ -0.0023079300000000, 0.0001999500000000, 0.0004155500000000 ] - [ -0.0004117600000000, 0.0013831400000000, -0.0004835700000000 ] - [ -0.0025387600000000, -0.0047757000000000, 0.0045575600000000 ] - [ 0.0011629500000000, 0.0000309300000000, -0.0039065800000000 ] - [ -0.0022550700000000, 0.0001384500000000, 0.0009113600000000 ] - [ 0.0002665500000000, 0.0010315000000000, 0.0001394600000000 ] - [ 0.0002179700000000, -0.0010840800000000, 0.0002332700000000 ] - [ 0.0007877200000000, -0.0114660100000000, -0.0071290600000000 ] - [ -0.0019913400000000, 0.0003554400000000, 0.0005168200000000 ] - [ -0.0009682000000000, 0.0012904900000000, -0.0005325900000000 ] - [ 0.0012275600000000, -0.0020313600000000, 0.0004495500000000 ] - [ 0.0020546300000000, -0.0008097400000000, 0.0005796900000000 ] - [ -0.0010628700000000, 0.0009853800000000, -0.0005785800000000 ] - [ -0.0005652900000000, 0.0001242800000000, 0.0003293300000000 ] - [ -0.0001236900000000, -0.0010255500000000, -0.0006193100000000 ] - [ -0.0080467300000000, 0.0007637400000000, 0.0126414900000000 ] - [ -0.0017728000000000, -0.0002601700000000, -0.0008009800000000 ] - [ 0.0000109300000000, 0.0005770000000000, -0.0001252900000000 ] - [ -0.0001196600000000, -0.0008848900000000, -0.0001597300000000 ] - [ -0.0005396100000000, 0.0000593700000000, -0.0007829100000000 ] - [ -0.0004731700000000, -0.0015975500000000, 0.0015217000000000 ] - [ 0.0009937800000000, -0.0006704700000000, -0.0013875700000000 ] - [ -0.0004662000000000, 0.0004413600000000, -0.0000227500000000 ] - [ -0.0062660100000000, 0.0036447500000000, -0.0002264400000000 ] - [ -0.0062079700000000, -0.0053242500000000, 0.0007007200000000 ] - [ 0.0026004300000000, -0.0015463900000000, 0.0002418600000000 ] - [ -0.0009353700000000, 0.0008999600000000, -0.0001575800000000 ] - [ 0.0052914400000000, 0.0060078700000000, -0.0043219800000000 ] - [ -0.0021776000000000, -0.0002110100000000, -0.0000803300000000 ] - [ -0.0033271300000000, 0.0055224300000000, 0.0017713500000000 ] - [ -0.0004676900000000, -0.0013413000000000, -0.0004173600000000 ] - [ 0.0000817700000000, -0.0002635900000000, 0.0002513900000000 ] - [ -0.0007124600000000, -0.0000443500000000, -0.0003477300000000 ] - [ 0.0001763900000000, 0.0002864300000000, -0.0000155400000000 ] - [ 0.0001766400000000, -0.0004033300000000, -0.0000594900000000 ] - [ -0.0063480300000000, -0.0007649200000000, 0.0116875900000000 ] - [ -0.0120296100000000, 0.0004221100000000, -0.0031855200000000 ] - [ -0.0000920000000000, 0.0011978800000000, 0.0004780000000000 ] - [ 0.0001938100000000, -0.0010897000000000, -0.0001079300000000 ] - [ 0.0010088700000000, 0.0008008700000000, -0.0003007500000000 ] - [ -0.0008160000000000, -0.0001736200000000, 0.0001002800000000 ] - [ -0.0000887500000000, 0.0004007500000000, 0.0001782300000000 ] - [ -0.0002236200000000, -0.0005168400000000, -0.0000628600000000 ] - [ 0.0008146600000000, 0.0059186200000000, -0.0070853000000000 ] - [ -0.0018165300000000, -0.0005176900000000, 0.0005303500000000 ] - [ 0.0012083800000000, 0.0016623200000000, 0.0003161600000000 ] - [ -0.0008347600000000, -0.0008965700000000, -0.0003752100000000 ] - [ 0.0024540100000000, 0.0006685200000000, 0.0020567600000000 ] - [ -0.0012254500000000, -0.0012303200000000, -0.0006705600000000 ] - [ -0.0002370400000000, 0.0011872200000000, -0.0004678100000000 ] - [ -0.0009557100000000, -0.0000787500000000, 0.0003434700000000 ] - [ -0.0049874300000000, 0.0060382900000000, 0.0007298900000000 ] - [ -0.0027351900000000, -0.0015397000000000, -0.0003262000000000 ] - [ 0.0027660900000000, 0.0015596000000000, -0.0004361600000000 ] - [ -0.0012396800000000, -0.0010761600000000, 0.0001653300000000 ] - [ -0.0006551400000000, 0.0017338800000000, 0.0016233900000000 ] - [ -0.0004952000000000, -0.0001095500000000, -0.0010244900000000 ] - [ 0.0011202400000000, 0.0007730100000000, -0.0008343700000000 ] - [ -0.0004808500000000, -0.0004853500000000, -0.0000213600000000 ]- atom: 53 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0013804600000000, 0.0002056700000000, 0.0189498100000000 ] - [ 0.0029158200000000, 0.0000913900000000, 0.0029406900000000 ] - [ -0.0010089200000000, -0.0013855200000000, 0.0017120200000000 ] - [ -0.0001769000000000, 0.0002874700000000, 0.0013716700000000 ] - [ 0.0001194700000000, 0.0002069300000000, 0.0167647600000000 ] - [ -0.0005912600000000, 0.0013236400000000, 0.0023352900000000 ] - [ 0.0014419400000000, 0.0001497800000000, 0.0023352900000000 ] - [ -0.0014808300000000, -0.0025648700000000, 0.0041029300000000 ] - [ -0.0004618600000000, -0.0007999600000000, -0.0041452100000000 ] - [ 0.0008785300000000, -0.0000709300000000, -0.0018021200000000 ] - [ -0.0005006900000000, 0.0007253600000000, -0.0018021200000000 ] - [ 0.0004312400000000, 0.0007469300000000, -0.0025189300000000 ] - [ 0.0004582800000000, 0.0000322900000000, -0.0064063200000000 ] - [ -0.0009578800000000, -0.0002474500000000, -0.0017397000000000 ] - [ -0.0003894600000000, 0.0008542700000000, -0.0013092500000000 ] - [ -0.0002131600000000, -0.0006946600000000, -0.0012296300000000 ] - [ -0.0002011800000000, 0.0004130300000000, -0.0064063200000000 ] - [ 0.0009345400000000, 0.0000898500000000, -0.0013092500000000 ] - [ 0.0002646400000000, -0.0009532700000000, -0.0017397000000000 ] - [ -0.0004950100000000, -0.0005319400000000, -0.0012296300000000 ] - [ -0.0005121100000000, 0.0012983500000000, 0.0189498100000000 ] - [ -0.0006954300000000, -0.0015665100000000, 0.0017120200000000 ] - [ -0.0013787600000000, 0.0025708700000000, 0.0029406900000000 ] - [ 0.0003374100000000, -0.0000094600000000, 0.0013716700000000 ] - [ 0.0022855300000000, 0.0039586600000000, 0.0819043400000000 ] - [ -0.0000394400000000, -0.0000262900000000, 0.0012203900000000 ] - [ -0.0000030500000000, -0.0000472900000000, 0.0012203900000000 ] - [ -0.0000894700000000, -0.0001549700000000, 0.0008085300000000 ] - [ -0.0002225500000000, -0.0003854600000000, -0.0063260100000000 ] - [ 0.0002086200000000, -0.0005118000000000, -0.0011146000000000 ] - [ -0.0005475400000000, -0.0000752300000000, -0.0011146000000000 ] - [ 0.0005142900000000, 0.0008907800000000, -0.0016649900000000 ] - [ -0.0074791200000000, -0.0001385600000000, 0.0028773200000000 ] - [ 0.0039990000000000, 0.0064545000000000, 0.0026586200000000 ] - [ 0.0043694900000000, -0.0058964200000000, 0.0008205300000000 ] - [ -0.0001505100000000, 0.0001118400000000, 0.0009209500000000 ] - [ -0.0002617700000000, 0.0007321100000000, -0.0057081100000000 ] - [ 0.0001451200000000, 0.0006533400000000, -0.0010710500000000 ] - [ 0.0005036500000000, -0.0011740000000000, -0.0032465300000000 ] - [ -0.0005355300000000, -0.0003058000000000, -0.0010188700000000 ] - [ 0.0007649100000000, 0.0001393600000000, -0.0057081100000000 ] - [ -0.0012685400000000, -0.0001508200000000, -0.0032465300000000 ] - [ 0.0004932500000000, 0.0004523500000000, -0.0010710500000000 ] - [ 0.0000029300000000, -0.0006166900000000, -0.0010188700000000 ] - [ 0.0036195700000000, -0.0065463900000000, 0.0028773200000000 ] - [ -0.0072911900000000, 0.0008358800000000, 0.0008205300000000 ] - [ 0.0035902600000000, 0.0066904900000000, 0.0026586200000000 ] - [ 0.0001721100000000, -0.0000744200000000, 0.0009209500000000 ] - [ 0.0002852100000000, 0.0004939900000000, 0.0020012700000000 ] - [ 0.0000568000000000, 0.0000619100000000, 0.0004770500000000 ] - [ 0.0000252200000000, 0.0000801500000000, 0.0004770500000000 ] - [ -0.0000565100000000, -0.0000978900000000, 0.0004635800000000 ] - [ -0.0087942400000000, -0.0152320600000000, -0.1827929100000000 ] - [ -0.0002687300000000, -0.0000703400000000, -0.0018633200000000 ] - [ 0.0000734500000000, -0.0002679000000000, -0.0018633200000000 ] - [ 0.0001591300000000, 0.0002756200000000, -0.0014418900000000 ] - [ -0.0001851300000000, -0.0003206600000000, 0.0028559900000000 ] - [ 0.0001286900000000, 0.0000054400000000, 0.0016491600000000 ] - [ -0.0000596300000000, 0.0001141700000000, 0.0016491600000000 ] - [ 0.0000657000000000, 0.0001137900000000, 0.0014373100000000 ] - [ 0.0059438800000000, 0.0102951000000000, 0.0090158200000000 ] - [ -0.0002209800000000, 0.0002073600000000, -0.0004023400000000 ] - [ 0.0002900700000000, -0.0000876900000000, -0.0004023400000000 ] - [ -0.0012170700000000, -0.0021080200000000, 0.0017928700000000 ] - [ 0.0009612700000000, -0.0001597900000000, 0.0027153600000000 ] - [ -0.0021655800000000, 0.0001543200000000, 0.0013522800000000 ] - [ 0.0004931500000000, 0.0006637200000000, 0.0007205600000000 ] - [ 0.0001193300000000, -0.0003126900000000, 0.0004948700000000 ] - [ 0.0130860600000000, 0.0226657200000000, 0.0050041500000000 ] - [ -0.0006537700000000, 0.0003567700000000, -0.0009691400000000 ] - [ 0.0006358600000000, -0.0003877900000000, -0.0009691400000000 ] - [ -0.0006035500000000, -0.0010453700000000, -0.0012575700000000 ] - [ -0.0005005500000000, -0.0008669700000000, 0.0022501000000000 ] - [ 0.0003423400000000, -0.0004746800000000, 0.0010358500000000 ] - [ -0.0005822500000000, 0.0000591300000000, 0.0010358500000000 ] - [ 0.0008531200000000, 0.0014776400000000, 0.0019297400000000 ] - [ -0.0199585000000000, 0.0010091100000000, 0.0106023000000000 ] - [ 0.0012092700000000, -0.0000432700000000, -0.0007282500000000 ] - [ 0.0000419400000000, -0.0009032100000000, -0.0006765200000000 ] - [ -0.0000761000000000, 0.0011264300000000, -0.0004439100000000 ] - [ 0.0026596800000000, 0.0000729400000000, 0.0027193200000000 ] - [ -0.0009819900000000, -0.0021989400000000, 0.0024155300000000 ] - [ -0.0006703900000000, 0.0011904700000000, 0.0024352400000000 ] - [ 0.0000191900000000, -0.0000813400000000, 0.0005057500000000 ] - [ -0.0007108900000000, -0.0000823400000000, -0.0050446300000000 ] - [ 0.0002115200000000, 0.0007412200000000, -0.0050361900000000 ] - [ -0.0002496800000000, -0.0002069600000000, -0.0042723300000000 ] - [ 0.0001544200000000, 0.0001230100000000, -0.0013912300000000 ] - [ 0.0044614100000000, -0.0113742000000000, 0.0084169800000000 ] - [ 0.0001512200000000, -0.0005165100000000, -0.0004280700000000 ] - [ -0.0047066000000000, 0.0074574400000000, 0.0023785100000000 ] - [ 0.0005614600000000, 0.0004418000000000, -0.0003972300000000 ] - [ 0.0002487400000000, 0.0001920400000000, 0.0025278700000000 ] - [ -0.0003356200000000, -0.0000090400000000, 0.0020054500000000 ] - [ -0.0000606600000000, 0.0001035600000000, 0.0014713600000000 ] - [ -0.0000158400000000, -0.0001156000000000, 0.0014766700000000 ] - [ -0.0120810600000000, -0.0018234100000000, 0.0084169800000000 ] - [ 0.0088116300000000, -0.0003473100000000, 0.0023785100000000 ] - [ -0.0005229300000000, -0.0001272900000000, -0.0004280700000000 ] - [ 0.0001018800000000, 0.0007071400000000, -0.0003972300000000 ] - [ 0.0000419500000000, 0.0003114400000000, 0.0025278700000000 ] - [ 0.0001200100000000, -0.0000007600000000, 0.0014713600000000 ] - [ 0.0001599800000000, -0.0002951700000000, 0.0020054500000000 ] - [ -0.0000922000000000, -0.0000715200000000, 0.0014766700000000 ] - [ 0.0108531700000000, -0.0167800100000000, 0.0106023000000000 ] - [ -0.0008031700000000, -0.0004152800000000, -0.0006765200000000 ] - [ -0.0006421100000000, 0.0010256200000000, -0.0007282500000000 ] - [ 0.0010135600000000, 0.0004973100000000, -0.0004439100000000 ] - [ -0.0006190200000000, 0.0007525900000000, 0.0027153600000000 ] - [ 0.0003282200000000, 0.0007589400000000, 0.0007205600000000 ] - [ 0.0012164300000000, -0.0017982900000000, 0.0013522800000000 ] - [ -0.0003304700000000, -0.0000530000000000, 0.0004948700000000 ] - [ 0.0002841400000000, -0.0006568200000000, -0.0050446300000000 ] - [ -0.0000543900000000, -0.0003197100000000, -0.0042723300000000 ] - [ 0.0005361600000000, 0.0005538000000000, -0.0050361900000000 ] - [ 0.0000293100000000, 0.0001952400000000, -0.0013912300000000 ] - [ -0.0012666700000000, 0.0023398200000000, 0.0027193200000000 ] - [ 0.0013661800000000, 0.0000146600000000, 0.0024352400000000 ] - [ -0.0014133400000000, -0.0019499000000000, 0.0024155300000000 ] - [ -0.0000800400000000, -0.0000240500000000, 0.0005057500000000 ]- atom: 53 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0007492100000000, -0.0002350300000000, -0.0186763400000000 ] - [ -0.0029200900000000, -0.0000942900000000, -0.0028998300000000 ] - [ 0.0010066300000000, 0.0013877900000000, -0.0016827900000000 ] - [ 0.0001783800000000, -0.0003020200000000, -0.0013484100000000 ] - [ -0.0002086100000000, -0.0003613200000000, -0.0168312700000000 ] - [ 0.0005951300000000, -0.0013263800000000, -0.0024251800000000 ] - [ -0.0014462400000000, -0.0001477900000000, -0.0024251800000000 ] - [ 0.0014841800000000, 0.0025706700000000, -0.0041698400000000 ] - [ 0.0004632200000000, 0.0008023300000000, 0.0040579400000000 ] - [ -0.0008795100000000, 0.0000726100000000, 0.0017170700000000 ] - [ 0.0005026400000000, -0.0007253700000000, 0.0017170700000000 ] - [ -0.0004324200000000, -0.0007489700000000, 0.0024298800000000 ] - [ -0.0004573700000000, -0.0000285600000000, 0.0064421500000000 ] - [ 0.0009563300000000, 0.0002519400000000, 0.0017665600000000 ] - [ 0.0003891700000000, -0.0008531800000000, 0.0013389900000000 ] - [ 0.0002137300000000, 0.0006962600000000, 0.0012578400000000 ] - [ 0.0002039500000000, -0.0004103700000000, 0.0064421500000000 ] - [ -0.0009334600000000, -0.0000895600000000, 0.0013389900000000 ] - [ -0.0002599700000000, 0.0009541700000000, 0.0017665600000000 ] - [ 0.0004961100000000, 0.0005332200000000, 0.0012578400000000 ] - [ 0.0001710600000000, -0.0007663500000000, -0.0186763400000000 ] - [ 0.0006985500000000, 0.0015656600000000, -0.0016827900000000 ] - [ 0.0013783900000000, -0.0025760200000000, -0.0028998300000000 ] - [ -0.0003507500000000, 0.0000034700000000, -0.0013484100000000 ] - [ -0.0026043200000000, -0.0045108100000000, -0.0886136600000000 ] - [ 0.0000389500000000, 0.0000354000000000, -0.0012106600000000 ] - [ 0.0000111800000000, 0.0000514300000000, -0.0012106600000000 ] - [ 0.0000948900000000, 0.0001643500000000, -0.0007982400000000 ] - [ 0.0002204100000000, 0.0003817600000000, 0.0063254400000000 ] - [ -0.0002104300000000, 0.0005044500000000, 0.0011296200000000 ] - [ 0.0005420800000000, 0.0000699900000000, 0.0011296200000000 ] - [ -0.0005145700000000, -0.0008912600000000, 0.0016969900000000 ] - [ 0.0074987400000000, 0.0001878300000000, -0.0028626300000000 ] - [ -0.0039969100000000, -0.0064380400000000, -0.0026441100000000 ] - [ -0.0043766600000000, 0.0059287200000000, -0.0007938300000000 ] - [ 0.0001513300000000, -0.0000764800000000, -0.0008911000000000 ] - [ 0.0002341100000000, -0.0007529800000000, 0.0057367900000000 ] - [ -0.0001741400000000, -0.0006687100000000, 0.0011074600000000 ] - [ -0.0005318900000000, 0.0011534000000000, 0.0032843800000000 ] - [ 0.0005021300000000, 0.0002816900000000, 0.0010555700000000 ] - [ -0.0007691500000000, -0.0001737500000000, 0.0057367900000000 ] - [ 0.0012648200000000, 0.0001160700000000, 0.0032843800000000 ] - [ -0.0004920400000000, -0.0004851700000000, 0.0011074600000000 ] - [ -0.0000071200000000, 0.0005757000000000, 0.0010555700000000 ] - [ -0.0035867100000000, 0.0065880100000000, -0.0028626300000000 ] - [ 0.0073227500000000, -0.0008259400000000, -0.0007938300000000 ] - [ -0.0035770500000000, -0.0066804500000000, -0.0026441100000000 ] - [ -0.0001419000000000, 0.0000928200000000, -0.0008911000000000 ] - [ -0.0002652600000000, -0.0004594500000000, -0.0019029200000000 ] - [ -0.0000338400000000, -0.0000253600000000, -0.0004317700000000 ] - [ -0.0000050500000000, -0.0000419900000000, -0.0004317700000000 ] - [ 0.0000768600000000, 0.0001331200000000, -0.0004343600000000 ] - [ 0.0088652500000000, 0.0153550700000000, 0.1890203800000000 ] - [ 0.0002217200000000, -0.0000074400000000, 0.0018931400000000 ] - [ -0.0001173000000000, 0.0001882900000000, 0.0018931400000000 ] - [ -0.0002023100000000, -0.0003504100000000, 0.0014921500000000 ] - [ 0.0002306200000000, 0.0003994500000000, -0.0028224000000000 ] - [ -0.0000843500000000, 0.0000711800000000, -0.0016057500000000 ] - [ 0.0001038100000000, -0.0000374600000000, -0.0016057500000000 ] - [ -0.0000207000000000, -0.0000358600000000, -0.0013983900000000 ] - [ -0.0058783000000000, -0.0101815100000000, -0.0089190800000000 ] - [ 0.0001993700000000, -0.0002430600000000, 0.0004301900000000 ] - [ -0.0003101800000000, 0.0000511300000000, 0.0004301900000000 ] - [ 0.0012280600000000, 0.0021270500000000, -0.0018122100000000 ] - [ -0.0009398200000000, 0.0001883200000000, -0.0028325000000000 ] - [ 0.0021798400000000, -0.0001249300000000, -0.0014617700000000 ] - [ -0.0004787500000000, -0.0006348500000000, -0.0008351800000000 ] - [ -0.0001050600000000, 0.0003565000000000, -0.0006122700000000 ] - [ -0.0132471900000000, -0.0229448100000000, -0.0050500200000000 ] - [ 0.0006374900000000, -0.0003892400000000, 0.0009300100000000 ] - [ -0.0006558400000000, 0.0003574700000000, 0.0009300100000000 ] - [ 0.0005851500000000, 0.0010135100000000, 0.0012220800000000 ] - [ 0.0005176800000000, 0.0008966400000000, -0.0022941900000000 ] - [ -0.0003203900000000, 0.0005111200000000, -0.0010790200000000 ] - [ 0.0006028300000000, -0.0000219100000000, -0.0010790200000000 ] - [ -0.0008343400000000, -0.0014451200000000, -0.0019664800000000 ] - [ 0.0202225600000000, -0.0010563100000000, -0.0108065000000000 ] - [ -0.0012330800000000, 0.0000117500000000, 0.0006237100000000 ] - [ -0.0000689900000000, 0.0008821800000000, 0.0005685800000000 ] - [ 0.0000608400000000, -0.0011571800000000, 0.0003344200000000 ] - [ -0.0026487200000000, -0.0001133400000000, -0.0026952400000000 ] - [ 0.0010014000000000, 0.0021720500000000, -0.0023978600000000 ] - [ 0.0006882100000000, -0.0012260300000000, -0.0024035600000000 ] - [ 0.0000024200000000, 0.0000442300000000, -0.0004766300000000 ] - [ 0.0006856500000000, 0.0001459200000000, 0.0050881800000000 ] - [ -0.0002787500000000, -0.0006683300000000, 0.0050894300000000 ] - [ 0.0002035200000000, 0.0003000600000000, 0.0043247200000000 ] - [ -0.0001949200000000, -0.0000451300000000, 0.0014382100000000 ] - [ -0.0043737100000000, 0.0112280800000000, -0.0083312000000000 ] - [ -0.0001083400000000, 0.0005153100000000, 0.0004576900000000 ] - [ 0.0047398000000000, -0.0074441900000000, -0.0023226600000000 ] - [ -0.0005183000000000, -0.0004360800000000, 0.0004189700000000 ] - [ -0.0002030800000000, -0.0002758400000000, -0.0024924900000000 ] - [ 0.0003808400000000, -0.0000706200000000, -0.0019673200000000 ] - [ 0.0001020800000000, -0.0001817400000000, -0.0014322900000000 ] - [ 0.0000615400000000, 0.0000372700000000, -0.0014307100000000 ] - [ 0.0119106600000000, 0.0018263000000000, -0.0083312000000000 ] - [ -0.0088167600000000, 0.0003826900000000, -0.0023226600000000 ] - [ 0.0005004500000000, 0.0001638300000000, 0.0004576900000000 ] - [ -0.0001185000000000, -0.0006669000000000, 0.0004189700000000 ] - [ -0.0001373400000000, -0.0003137900000000, -0.0024924900000000 ] - [ -0.0002084300000000, -0.0000024700000000, -0.0014322900000000 ] - [ -0.0002515800000000, 0.0002945100000000, -0.0019673200000000 ] - [ 0.0000015000000000, 0.0000719300000000, -0.0014307100000000 ] - [ -0.0110260700000000, 0.0169851000000000, -0.0108065000000000 ] - [ 0.0007984900000000, 0.0003813400000000, 0.0005685800000000 ] - [ 0.0006267200000000, -0.0010620000000000, 0.0006237100000000 ] - [ -0.0010325600000000, -0.0005259000000000, 0.0003344200000000 ] - [ 0.0006330100000000, -0.0007197500000000, -0.0028325000000000 ] - [ -0.0003104200000000, -0.0007320400000000, -0.0008351800000000 ] - [ -0.0011981200000000, 0.0018253300000000, -0.0014617700000000 ] - [ 0.0003612700000000, 0.0000872700000000, -0.0006122700000000 ] - [ -0.0002164500000000, 0.0006667500000000, 0.0050881800000000 ] - [ 0.0001581000000000, 0.0003262900000000, 0.0043247200000000 ] - [ -0.0004394200000000, -0.0005755700000000, 0.0050894300000000 ] - [ 0.0000583700000000, -0.0001913700000000, 0.0014382100000000 ] - [ 0.0012262000000000, -0.0023505300000000, -0.0026952400000000 ] - [ -0.0014058800000000, -0.0000170100000000, -0.0024035600000000 ] - [ 0.0013803500000000, 0.0019532600000000, -0.0023978600000000 ] - [ 0.0000370900000000, 0.0000242100000000, -0.0004766300000000 ]- atom: 65 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0190647400000000, -0.0001906400000000, 0.0000333000000000 ] - [ -0.0036235200000000, 0.0001961600000000, -0.0000367900000000 ] - [ -0.0000053700000000, 0.0019984900000000, -0.0000314000000000 ] - [ -0.0002543300000000, -0.0020393700000000, 0.0001153100000000 ] - [ -0.0039135000000000, -0.0003118200000000, -0.0031463100000000 ] - [ -0.0025022200000000, 0.0068815400000000, 0.0043860000000000 ] - [ -0.0015138400000000, -0.0009592400000000, -0.0000429400000000 ] - [ 0.0030325700000000, 0.0020811400000000, -0.0013722100000000 ] - [ -0.0025952300000000, -0.0005837200000000, 0.0028269800000000 ] - [ -0.0019218800000000, 0.0054352100000000, -0.0036340900000000 ] - [ -0.0013499900000000, -0.0006895600000000, -0.0000484000000000 ] - [ 0.0029617900000000, 0.0018534100000000, 0.0006577900000000 ] - [ 0.0096810800000000, 0.0001814900000000, 0.0000228000000000 ] - [ -0.0028363800000000, -0.0001490500000000, 0.0000256300000000 ] - [ -0.0000926700000000, 0.0016029900000000, -0.0000427600000000 ] - [ 0.0000532300000000, -0.0016497800000000, 0.0000471400000000 ] - [ -0.0029862300000000, 0.0005365900000000, 0.0024240300000000 ] - [ -0.0022931800000000, -0.0052985100000000, -0.0034059400000000 ] - [ 0.0024205700000000, -0.0017933000000000, 0.0010143700000000 ] - [ -0.0013172500000000, 0.0008329500000000, 0.0000103000000000 ] - [ -0.0035689100000000, 0.0005547100000000, -0.0031400500000000 ] - [ -0.0023280800000000, -0.0075461200000000, 0.0040815600000000 ] - [ 0.0040792800000000, -0.0024387100000000, -0.0008872200000000 ] - [ -0.0015875600000000, 0.0008078500000000, 0.0000156300000000 ] - [ 0.0005260900000000, 0.0000346500000000, -0.0000918100000000 ] - [ -0.0003279600000000, -0.0000126100000000, 0.0003432500000000 ] - [ -0.0000979800000000, -0.0000911000000000, -0.0000366100000000 ] - [ -0.0000904100000000, 0.0001121200000000, -0.0000901500000000 ] - [ 0.0222285200000000, -0.0048966000000000, -0.0014754600000000 ] - [ -0.0047277700000000, -0.0002468900000000, -0.0004782800000000 ] - [ 0.0021322600000000, 0.0043081100000000, 0.0001654000000000 ] - [ -0.0019139500000000, -0.0033254300000000, -0.0004797800000000 ] - [ -0.0007478200000000, -0.0002830000000000, 0.0000361600000000 ] - [ 0.0008227200000000, -0.0001765500000000, 0.0001038000000000 ] - [ 0.0002251400000000, -0.0002938900000000, -0.0002819100000000 ] - [ -0.0002734700000000, 0.0008136200000000, 0.0002443700000000 ] - [ 0.0220921600000000, 0.0047991800000000, -0.0020079700000000 ] - [ -0.0045294200000000, 0.0002955700000000, 0.0003404900000000 ] - [ -0.0020053900000000, 0.0035139000000000, 0.0004958100000000 ] - [ 0.0022113100000000, -0.0043795900000000, -0.0003308100000000 ] - [ -0.0053104100000000, -0.0001252100000000, 0.0002063100000000 ] - [ 0.0332355000000000, 0.0000500300000000, 0.0039348700000000 ] - [ -0.0000869700000000, -0.0007357500000000, 0.0000221100000000 ] - [ -0.0000629100000000, 0.0007197000000000, 0.0001853900000000 ] - [ 0.0008864400000000, 0.0001827800000000, 0.0000188000000000 ] - [ -0.0007642800000000, 0.0003029200000000, -0.0001162900000000 ] - [ 0.0002179600000000, 0.0003269300000000, -0.0000222700000000 ] - [ -0.0002288900000000, -0.0007484500000000, 0.0000406300000000 ] - [ -0.0006922600000000, -0.0000667700000000, -0.0009890500000000 ] - [ 0.0019528400000000, 0.0000626300000000, 0.0016769700000000 ] - [ -0.0001412100000000, 0.0005237900000000, -0.0001028600000000 ] - [ -0.0001281400000000, -0.0002564200000000, -0.0003387100000000 ] - [ -0.0011680200000000, 0.0000561600000000, 0.0009745100000000 ] - [ 0.0022408100000000, -0.0000373500000000, -0.0021543800000000 ] - [ -0.0002786300000000, 0.0003488800000000, 0.0005085500000000 ] - [ -0.0002336600000000, -0.0006221600000000, 0.0001335000000000 ] - [ -0.0007381600000000, -0.0058231600000000, -0.0109209100000000 ] - [ 0.0018360500000000, 0.0004980700000000, 0.0008337800000000 ] - [ -0.0011983300000000, -0.0014475300000000, 0.0006676600000000 ] - [ 0.0008567200000000, 0.0013205400000000, -0.0009936500000000 ] - [ -0.0022331800000000, -0.0104666500000000, 0.0123232700000000 ] - [ 0.0022537500000000, 0.0003554400000000, -0.0009013800000000 ] - [ -0.0012283800000000, -0.0022929600000000, -0.0004475500000000 ] - [ 0.0010282000000000, 0.0011289700000000, 0.0005222000000000 ] - [ -0.1237357000000000, 0.0000324800000000, -0.0003972200000000 ] - [ 0.0023635100000000, 0.0000163600000000, -0.0000196300000000 ] - [ 0.0000870000000000, -0.0013048000000000, -0.0000762600000000 ] - [ 0.0000787200000000, 0.0013235200000000, -0.0000722900000000 ] - [ 0.0004186300000000, 0.0000675000000000, 0.0002766500000000 ] - [ -0.0004927400000000, -0.0005827100000000, -0.0005362400000000 ] - [ 0.0005360400000000, -0.0000157900000000, -0.0000206200000000 ] - [ -0.0005932000000000, 0.0005279400000000, 0.0002004600000000 ] - [ 0.0045418100000000, 0.0032511000000000, -0.0007499900000000 ] - [ 0.0046008900000000, -0.0048754200000000, 0.0007236400000000 ] - [ 0.0012685200000000, 0.0006772000000000, -0.0000201100000000 ] - [ -0.0024818700000000, -0.0008025400000000, -0.0000308500000000 ] - [ -0.0009259800000000, -0.0000225600000000, -0.0000531800000000 ] - [ 0.0013687300000000, -0.0000071200000000, -0.0001234400000000 ] - [ -0.0000530800000000, -0.0008267400000000, -0.0000329400000000 ] - [ -0.0000544200000000, 0.0008129200000000, -0.0000089700000000 ] - [ 0.0012414000000000, 0.0001668600000000, -0.0002540100000000 ] - [ -0.0020731600000000, 0.0007023900000000, 0.0004456700000000 ] - [ 0.0000923100000000, 0.0010131900000000, -0.0007676800000000 ] - [ 0.0005718600000000, -0.0013135100000000, 0.0006824400000000 ] - [ 0.0012124300000000, 0.0002012800000000, 0.0003431300000000 ] - [ -0.0024846300000000, 0.0008050800000000, -0.0005998800000000 ] - [ 0.0002183100000000, 0.0013363900000000, 0.0012353800000000 ] - [ 0.0009399400000000, -0.0017381500000000, -0.0003296800000000 ] - [ 0.0005021000000000, 0.0125046100000000, 0.0152482500000000 ] - [ 0.0021669700000000, -0.0007370400000000, -0.0005424600000000 ] - [ 0.0010180200000000, -0.0013471400000000, 0.0010476000000000 ] - [ -0.0014887500000000, 0.0018448100000000, -0.0006165100000000 ] - [ 0.0017903600000000, -0.0000864300000000, -0.0012047000000000 ] - [ 0.0080631700000000, 0.0008351900000000, 0.0202266300000000 ] - [ 0.0000051200000000, 0.0005133500000000, -0.0000392300000000 ] - [ 0.0001306100000000, -0.0005057500000000, 0.0000879400000000 ] - [ 0.0021947500000000, 0.0000533800000000, 0.0011031800000000 ] - [ 0.0190613200000000, -0.0013019400000000, -0.0277220700000000 ] - [ 0.0001292400000000, 0.0006277700000000, -0.0001134900000000 ] - [ -0.0000493500000000, -0.0007408700000000, 0.0000551500000000 ] - [ -0.0022316000000000, 0.0051357700000000, -0.0091498100000000 ] - [ 0.0019427500000000, -0.0002196700000000, 0.0009800000000000 ] - [ 0.0007747800000000, -0.0010803400000000, -0.0007174700000000 ] - [ -0.0010179500000000, 0.0018202100000000, 0.0006051400000000 ] - [ 0.0004152200000000, -0.0001303500000000, -0.0001911700000000 ] - [ -0.0004466800000000, 0.0005963500000000, 0.0001316800000000 ] - [ -0.0006397500000000, -0.0005089100000000, -0.0001051500000000 ] - [ 0.0005195500000000, -0.0000143900000000, -0.0000542600000000 ] - [ 0.0048831500000000, -0.0035848500000000, -0.0001432400000000 ] - [ 0.0049413700000000, 0.0050675700000000, 0.0001267800000000 ] - [ -0.0025985700000000, 0.0007268400000000, -0.0001541600000000 ] - [ 0.0012378500000000, -0.0006717300000000, -0.0000566900000000 ] - [ -0.0023539300000000, -0.0006806800000000, -0.0003012700000000 ] - [ 0.0014606200000000, -0.0001633800000000, 0.0002513500000000 ] - [ 0.0001780800000000, -0.0011072500000000, 0.0009930800000000 ] - [ 0.0007270100000000, 0.0015633600000000, -0.0007876700000000 ] - [ -0.0021148300000000, -0.0008739400000000, 0.0005914100000000 ] - [ 0.0010774300000000, -0.0001774300000000, -0.0002876500000000 ] - [ 0.0001399700000000, -0.0010792500000000, -0.0008708500000000 ] - [ 0.0007946400000000, 0.0015386200000000, 0.0004045300000000 ]- atom: 65 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0190202500000000, 0.0001913100000000, 0.0000312000000000 ] - [ 0.0036144500000000, -0.0001969600000000, 0.0000690800000000 ] - [ -0.0000003500000000, -0.0019982200000000, 0.0000582800000000 ] - [ 0.0002474100000000, 0.0020301000000000, -0.0000870300000000 ] - [ 0.0038791300000000, 0.0003121600000000, 0.0030532900000000 ] - [ 0.0024999500000000, -0.0068588700000000, -0.0044616600000000 ] - [ 0.0015096000000000, 0.0009484500000000, -0.0000458900000000 ] - [ -0.0030109200000000, -0.0020594100000000, 0.0012672200000000 ] - [ 0.0025713000000000, 0.0005897100000000, -0.0029343700000000 ] - [ 0.0019200500000000, -0.0054178100000000, 0.0035204900000000 ] - [ 0.0013523700000000, 0.0006867100000000, -0.0000518300000000 ] - [ -0.0029512500000000, -0.0018401500000000, -0.0007440100000000 ] - [ -0.0096493400000000, -0.0001717500000000, 0.0000202100000000 ] - [ 0.0028290800000000, 0.0001551100000000, -0.0000095600000000 ] - [ 0.0000896500000000, -0.0016013900000000, 0.0000615100000000 ] - [ -0.0000589900000000, 0.0016504200000000, -0.0000286100000000 ] - [ 0.0029722000000000, -0.0005338400000000, -0.0024059800000000 ] - [ 0.0022948300000000, 0.0052851600000000, 0.0034137700000000 ] - [ -0.0024011800000000, 0.0017747900000000, -0.0009829500000000 ] - [ 0.0013212500000000, -0.0008304400000000, 0.0000085300000000 ] - [ 0.0035333900000000, -0.0005654200000000, 0.0031805400000000 ] - [ 0.0023256100000000, 0.0075165000000000, -0.0040356000000000 ] - [ -0.0040573200000000, 0.0024112300000000, 0.0009026600000000 ] - [ 0.0015848400000000, -0.0008028500000000, 0.0000133400000000 ] - [ -0.0005237200000000, -0.0000285600000000, 0.0000993500000000 ] - [ 0.0003325100000000, 0.0000201200000000, -0.0003255700000000 ] - [ 0.0001027800000000, 0.0000962300000000, 0.0000517300000000 ] - [ 0.0000925800000000, -0.0001036100000000, 0.0001034600000000 ] - [ -0.0225432500000000, 0.0056198500000000, 0.0016310300000000 ] - [ 0.0047007900000000, 0.0002411700000000, 0.0004905600000000 ] - [ -0.0021119900000000, -0.0042897100000000, -0.0001473600000000 ] - [ 0.0019139800000000, 0.0033398700000000, 0.0005018700000000 ] - [ 0.0007450000000000, 0.0003182000000000, -0.0000016300000000 ] - [ -0.0008158700000000, 0.0002153900000000, -0.0000737600000000 ] - [ -0.0002230800000000, 0.0003306200000000, 0.0003149200000000 ] - [ 0.0002748200000000, -0.0007746400000000, -0.0002099700000000 ] - [ -0.0224396100000000, -0.0055391100000000, 0.0021880100000000 ] - [ 0.0044800000000000, -0.0003150900000000, -0.0003027100000000 ] - [ 0.0019797600000000, -0.0035569200000000, -0.0004619300000000 ] - [ -0.0022182800000000, 0.0043332000000000, 0.0003638800000000 ] - [ 0.0053450700000000, 0.0000906500000000, -0.0001730900000000 ] - [ -0.0295391000000000, -0.0000715500000000, -0.0033734800000000 ] - [ 0.0000742300000000, 0.0006842400000000, 0.0000166600000000 ] - [ 0.0000544200000000, -0.0007411500000000, -0.0001492400000000 ] - [ -0.0008498900000000, -0.0001636700000000, 0.0000099000000000 ] - [ 0.0007909900000000, -0.0002821000000000, 0.0001495300000000 ] - [ -0.0001866400000000, -0.0003046600000000, 0.0000540600000000 ] - [ 0.0002610800000000, 0.0007646600000000, -0.0000046400000000 ] - [ 0.0007150400000000, 0.0001015900000000, 0.0010212200000000 ] - [ -0.0019301000000000, -0.0000248900000000, -0.0016356700000000 ] - [ 0.0001600100000000, -0.0004859900000000, 0.0001366500000000 ] - [ 0.0001473000000000, 0.0002860300000000, 0.0003738200000000 ] - [ 0.0011445500000000, -0.0001322900000000, -0.0009253200000000 ] - [ -0.0022778700000000, -0.0000369100000000, 0.0021811200000000 ] - [ 0.0002335800000000, -0.0004224400000000, -0.0004684400000000 ] - [ 0.0001872800000000, 0.0005377600000000, -0.0000955700000000 ] - [ 0.0008278100000000, 0.0059092500000000, 0.0109773500000000 ] - [ -0.0017877900000000, -0.0004204500000000, -0.0007791000000000 ] - [ 0.0012334500000000, 0.0015157700000000, -0.0006213700000000 ] - [ -0.0008126000000000, -0.0012497100000000, 0.0010481300000000 ] - [ 0.0023255500000000, 0.0104045800000000, -0.0122532900000000 ] - [ -0.0022658600000000, -0.0003857500000000, 0.0009191200000000 ] - [ 0.0012002400000000, 0.0022504000000000, 0.0004765900000000 ] - [ -0.0010420800000000, -0.0011615700000000, -0.0005031300000000 ] - [ 0.1200528400000000, 0.0000208600000000, -0.0003852400000000 ] - [ -0.0023354800000000, 0.0000067600000000, -0.0000870600000000 ] - [ -0.0000667800000000, 0.0013338200000000, -0.0000335900000000 ] - [ -0.0000614500000000, -0.0012987500000000, -0.0000358600000000 ] - [ -0.0004421100000000, -0.0000960200000000, -0.0003169900000000 ] - [ 0.0004664800000000, 0.0005427100000000, 0.0004906700000000 ] - [ -0.0005618600000000, -0.0000208700000000, -0.0000226300000000 ] - [ 0.0005762100000000, -0.0005625900000000, -0.0002394100000000 ] - [ -0.0045807800000000, -0.0032679600000000, 0.0007144700000000 ] - [ -0.0045227000000000, 0.0048878200000000, -0.0007620100000000 ] - [ -0.0012465900000000, -0.0006314900000000, -0.0000212200000000 ] - [ 0.0024994400000000, 0.0008215900000000, -0.0000172100000000 ] - [ 0.0009060200000000, -0.0000100000000000, -0.0000497800000000 ] - [ -0.0013807100000000, -0.0000268300000000, 0.0000184800000000 ] - [ 0.0000359000000000, 0.0007990600000000, -0.0000738000000000 ] - [ 0.0000359800000000, -0.0008453600000000, -0.0000981600000000 ] - [ -0.0012156700000000, -0.0002007700000000, 0.0002872400000000 ] - [ 0.0020835600000000, -0.0007352100000000, -0.0004114600000000 ] - [ -0.0000706400000000, -0.0010416200000000, 0.0007917600000000 ] - [ -0.0005532000000000, 0.0012721800000000, -0.0006381100000000 ] - [ -0.0012491800000000, -0.0001205600000000, -0.0003009300000000 ] - [ 0.0024172100000000, -0.0007354200000000, 0.0006463600000000 ] - [ -0.0002601000000000, -0.0012517800000000, -0.0011840500000000 ] - [ -0.0009808900000000, 0.0018089300000000, 0.0003600200000000 ] - [ -0.0003613900000000, -0.0125273900000000, -0.0152250600000000 ] - [ -0.0021202200000000, 0.0007342000000000, 0.0005776600000000 ] - [ -0.0009767100000000, 0.0013525100000000, -0.0010307400000000 ] - [ 0.0015167300000000, -0.0018376800000000, 0.0006526700000000 ] - [ -0.0017423900000000, 0.0000080300000000, 0.0012393200000000 ] - [ -0.0079845600000000, -0.0009018200000000, -0.0199892900000000 ] - [ 0.0000404200000000, -0.0005862800000000, 0.0000769100000000 ] - [ -0.0000846200000000, 0.0004192200000000, -0.0000494100000000 ] - [ -0.0022103200000000, -0.0000188000000000, -0.0010714300000000 ] - [ -0.0188423200000000, 0.0013099400000000, 0.0273423500000000 ] - [ -0.0001451500000000, -0.0005853700000000, 0.0001495600000000 ] - [ 0.0000309700000000, 0.0007653600000000, -0.0000244800000000 ] - [ 0.0021939200000000, -0.0051211100000000, 0.0091524900000000 ] - [ -0.0020249900000000, 0.0002180100000000, -0.0009416100000000 ] - [ -0.0008611000000000, 0.0010799500000000, 0.0007702300000000 ] - [ 0.0009178000000000, -0.0018162700000000, -0.0005720000000000 ] - [ -0.0004294900000000, 0.0000937800000000, 0.0000844000000000 ] - [ 0.0004291900000000, -0.0006202200000000, -0.0002361400000000 ] - [ 0.0006271300000000, 0.0004822800000000, -0.0000021100000000 ] - [ -0.0005320700000000, -0.0000120800000000, -0.0000497900000000 ] - [ -0.0049327000000000, 0.0036731400000000, 0.0000285400000000 ] - [ -0.0048706800000000, -0.0050040200000000, -0.0002320100000000 ] - [ 0.0026020100000000, -0.0006738900000000, 0.0000439900000000 ] - [ -0.0012227800000000, 0.0006996700000000, -0.0000525200000000 ] - [ 0.0024231800000000, 0.0006952000000000, 0.0003404600000000 ] - [ -0.0013582300000000, 0.0001619000000000, -0.0002294900000000 ] - [ -0.0000811800000000, 0.0010989900000000, -0.0009332000000000 ] - [ -0.0006364900000000, -0.0015581000000000, 0.0008163900000000 ] - [ 0.0020631700000000, 0.0008712000000000, -0.0005516700000000 ] - [ -0.0011133400000000, 0.0001743200000000, 0.0003385500000000 ] - [ -0.0001753700000000, 0.0010721500000000, 0.0008908800000000 ] - [ -0.0008345800000000, -0.0015386400000000, -0.0003613000000000 ]- atom: 65 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0047461800000000 ] - [ 0.0002028300000000, 0.0000601300000000, 0.0002635000000000 ] - [ -0.0001534900000000, 0.0001456000000000, 0.0002635000000000 ] - [ -0.0000493500000000, -0.0002057200000000, 0.0002635000000000 ] - [ -0.0037981800000000, -0.0008948900000000, -0.0015603900000000 ] - [ 0.0026740900000000, -0.0028418700000000, -0.0015603900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001602300000000 ] - [ 0.0011240900000000, 0.0037367600000000, -0.0015603900000000 ] - [ 0.0042503900000000, 0.0004634500000000, -0.0009955300000000 ] - [ -0.0025265600000000, 0.0034492200000000, -0.0009955300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001623400000000 ] - [ -0.0017238400000000, -0.0039126700000000, -0.0009955300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0134447100000000 ] - [ -0.0001807700000000, 0.0000810200000000, -0.0002289800000000 ] - [ 0.0000202200000000, -0.0001970600000000, -0.0002289800000000 ] - [ 0.0001605500000000, 0.0001160500000000, -0.0002289800000000 ] - [ 0.0040811800000000, -0.0005737800000000, -0.0020222200000000 ] - [ -0.0025374900000000, -0.0032475200000000, -0.0020222200000000 ] - [ -0.0015436900000000, 0.0038212900000000, -0.0020222200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002278700000000 ] - [ -0.0042098100000000, 0.0008407100000000, -0.0002274500000000 ] - [ 0.0028329800000000, 0.0032254400000000, -0.0002274500000000 ] - [ 0.0013768300000000, -0.0040661500000000, -0.0002274500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002554200000000 ] - [ -0.0002313600000000, -0.0000872300000000, -0.0037362700000000 ] - [ 0.0001038300000000, 0.0000599300000000, -0.0019666300000000 ] - [ -0.0000130900000000, -0.0000653200000000, -0.0012210000000000 ] - [ 0.0001239100000000, 0.0001459000000000, -0.0011995700000000 ] - [ -0.0002450500000000, 0.0006486400000000, 0.0136956500000000 ] - [ -0.0000523400000000, -0.0000469500000000, 0.0012682900000000 ] - [ 0.0000879400000000, 0.0003072700000000, 0.0019506600000000 ] - [ 0.0001147300000000, 0.0003589000000000, 0.0013443600000000 ] - [ -0.0000500200000000, 0.0000439900000000, -0.0012210000000000 ] - [ 0.0000401400000000, 0.0002439700000000, -0.0037362700000000 ] - [ -0.0000000100000000, -0.0001198900000000, -0.0019666300000000 ] - [ 0.0000644000000000, -0.0001802600000000, -0.0011995700000000 ] - [ -0.0004392100000000, -0.0005365400000000, 0.0136956500000000 ] - [ -0.0003681800000000, -0.0000800900000000, 0.0013443600000000 ] - [ 0.0000668300000000, -0.0000218600000000, 0.0012682900000000 ] - [ -0.0003100800000000, -0.0000774700000000, 0.0019506600000000 ] - [ 0.0002221300000000, -0.0002298000000000, 0.0019506600000000 ] - [ 0.0006842600000000, -0.0001121000000000, 0.0136956500000000 ] - [ -0.0000144900000000, 0.0000688000000000, 0.0012682900000000 ] - [ 0.0002534500000000, -0.0002788100000000, 0.0013443600000000 ] - [ 0.0001912200000000, -0.0001567500000000, -0.0037362700000000 ] - [ -0.0001883100000000, 0.0000343600000000, -0.0011995700000000 ] - [ -0.0001038200000000, 0.0000599500000000, -0.0019666300000000 ] - [ 0.0000631100000000, 0.0000213200000000, -0.0012210000000000 ] - [ -0.0013234200000000, 0.0000057600000000, 0.0022465000000000 ] - [ 0.0011260700000000, -0.0000644200000000, 0.0017517000000000 ] - [ 0.0003595200000000, -0.0007077400000000, 0.0007736300000000 ] - [ 0.0002034700000000, 0.0005389400000000, 0.0009720700000000 ] - [ 0.0038431700000000, -0.0002304400000000, 0.0027838900000000 ] - [ -0.0009844900000000, -0.0001190400000000, 0.0014232700000000 ] - [ -0.0002175000000000, 0.0005634300000000, 0.0007956400000000 ] - [ -0.0003120600000000, -0.0006617100000000, 0.0005702800000000 ] - [ -0.0070542700000000, 0.0107431300000000, 0.0107341600000000 ] - [ 0.0006089600000000, 0.0002964600000000, -0.0006102100000000 ] - [ 0.0003963900000000, -0.0006018700000000, -0.0006617200000000 ] - [ -0.0002991300000000, -0.0002669500000000, -0.0003730300000000 ] - [ 0.0070879200000000, -0.0138016400000000, 0.0068480900000000 ] - [ -0.0004342900000000, -0.0001739600000000, -0.0006246000000000 ] - [ -0.0004143500000000, 0.0007507300000000, -0.0010265300000000 ] - [ 0.0005906000000000, 0.0003888700000000, -0.0008480600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0794304400000000 ] - [ 0.0000345800000000, 0.0000012600000000, -0.0007669800000000 ] - [ -0.0000183800000000, 0.0000293100000000, -0.0007669800000000 ] - [ -0.0000162000000000, -0.0000305800000000, -0.0007669800000000 ] - [ 0.0001707200000000, 0.0003361400000000, 0.0012773800000000 ] - [ -0.0003764700000000, -0.0000202300000000, 0.0012773800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006109000000000 ] - [ 0.0002057500000000, -0.0003159200000000, 0.0012773800000000 ] - [ -0.0006932100000000, -0.0002612900000000, -0.0019697300000000 ] - [ 0.0005728900000000, -0.0004696900000000, -0.0019697300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006428500000000 ] - [ 0.0001203200000000, 0.0007309800000000, -0.0019697300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0023414000000000 ] - [ 0.0000684300000000, 0.0000121400000000, 0.0007538900000000 ] - [ -0.0000447300000000, 0.0000531900000000, 0.0007538900000000 ] - [ -0.0000237000000000, -0.0000653300000000, 0.0007538900000000 ] - [ -0.0007926800000000, 0.0000425100000000, 0.0007736300000000 ] - [ 0.0006667000000000, 0.0011432400000000, 0.0022465000000000 ] - [ -0.0006188300000000, -0.0009430000000000, 0.0017517000000000 ] - [ 0.0003650000000000, -0.0004456800000000, 0.0009720700000000 ] - [ 0.0005966900000000, -0.0000933600000000, 0.0007956400000000 ] - [ -0.0021211500000000, -0.0032130600000000, 0.0027838900000000 ] - [ 0.0003891500000000, 0.0009121100000000, 0.0014232700000000 ] - [ -0.0004170300000000, 0.0006011000000000, 0.0005702800000000 ] - [ 0.0084086100000000, 0.0130391400000000, 0.0068480900000000 ] - [ -0.0006320800000000, 0.0003170400000000, -0.0008480600000000 ] - [ 0.0003678000000000, -0.0002891200000000, -0.0006246000000000 ] - [ -0.0004429800000000, -0.0007342100000000, -0.0010265300000000 ] - [ -0.0007194300000000, -0.0000423500000000, -0.0006617200000000 ] - [ 0.0128309600000000, 0.0007376100000000, 0.0107341600000000 ] - [ -0.0000477400000000, -0.0006756000000000, -0.0006102100000000 ] - [ -0.0000816200000000, 0.0003925300000000, -0.0003730300000000 ] - [ 0.0008573300000000, -0.0000165200000000, -0.0010265300000000 ] - [ -0.0154965300000000, 0.0007625000000000, 0.0068480900000000 ] - [ 0.0000664900000000, 0.0004630900000000, -0.0006246000000000 ] - [ 0.0000414800000000, -0.0007059100000000, -0.0008480600000000 ] - [ -0.0057766900000000, -0.0114807500000000, 0.0107341600000000 ] - [ 0.0003807500000000, -0.0001255800000000, -0.0003730300000000 ] - [ -0.0005612200000000, 0.0003791400000000, -0.0006102100000000 ] - [ 0.0003230400000000, 0.0006442200000000, -0.0006617200000000 ] - [ 0.0001378500000000, -0.0001381100000000, 0.0012672300000000 ] - [ -0.0001885400000000, -0.0000503300000000, 0.0012672300000000 ] - [ 0.0000506800000000, 0.0001884400000000, 0.0012672300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005674300000000 ] - [ 0.0001833800000000, 0.0000069000000000, -0.0020441600000000 ] - [ -0.0000857100000000, -0.0001622600000000, -0.0020441600000000 ] - [ -0.0000976700000000, 0.0001553600000000, -0.0020441600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006888300000000 ] - [ -0.0017220200000000, 0.0034435000000000, 0.0027838900000000 ] - [ 0.0007290800000000, 0.0000606000000000, 0.0005702800000000 ] - [ 0.0005953400000000, -0.0007930700000000, 0.0014232700000000 ] - [ -0.0003792000000000, -0.0004700700000000, 0.0007956400000000 ] - [ 0.0006567200000000, -0.0011489900000000, 0.0022465000000000 ] - [ -0.0005684700000000, -0.0000932600000000, 0.0009720700000000 ] - [ -0.0005072500000000, 0.0010074200000000, 0.0017517000000000 ] - [ 0.0004331600000000, 0.0006652200000000, 0.0007736300000000 ]- atom: 65 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0062042800000000 ] - [ -0.0002020600000000, -0.0000582100000000, -0.0002425000000000 ] - [ 0.0001514400000000, -0.0001458800000000, -0.0002425000000000 ] - [ 0.0000506200000000, 0.0002040900000000, -0.0002425000000000 ] - [ 0.0038030700000000, 0.0009049000000000, 0.0014667500000000 ] - [ -0.0026852000000000, 0.0028411000000000, 0.0014667500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000703700000000 ] - [ -0.0011178700000000, -0.0037460000000000, 0.0014667500000000 ] - [ -0.0042611500000000, -0.0004657800000000, 0.0009155000000000 ] - [ 0.0025339600000000, -0.0034573800000000, 0.0009155000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002507900000000 ] - [ 0.0017272000000000, 0.0039231600000000, 0.0009155000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0133616800000000 ] - [ 0.0001793400000000, -0.0000813000000000, 0.0002555400000000 ] - [ -0.0000192600000000, 0.0001959700000000, 0.0002555400000000 ] - [ -0.0001600800000000, -0.0001146600000000, 0.0002555400000000 ] - [ -0.0040921200000000, 0.0005768900000000, 0.0020539500000000 ] - [ 0.0025456600000000, 0.0032554300000000, 0.0020539500000000 ] - [ 0.0015464500000000, -0.0038323300000000, 0.0020539500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002550500000000 ] - [ 0.0042143600000000, -0.0008506300000000, 0.0002421500000000 ] - [ -0.0028438500000000, -0.0032244300000000, 0.0002421500000000 ] - [ -0.0013705100000000, 0.0040750600000000, 0.0002421500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002348400000000 ] - [ 0.0002310800000000, 0.0000705900000000, 0.0037831100000000 ] - [ -0.0001164300000000, -0.0000771400000000, 0.0019996400000000 ] - [ 0.0000026100000000, 0.0000513200000000, 0.0012516400000000 ] - [ -0.0001349100000000, -0.0001656800000000, 0.0012310000000000 ] - [ 0.0002801900000000, -0.0006812000000000, -0.0138152900000000 ] - [ 0.0000675500000000, 0.0000629000000000, -0.0012413900000000 ] - [ -0.0000777000000000, -0.0002942100000000, -0.0019288500000000 ] - [ -0.0001099300000000, -0.0003494200000000, -0.0013196900000000 ] - [ 0.0000431400000000, -0.0000279300000000, 0.0012516400000000 ] - [ -0.0000544100000000, -0.0002354200000000, 0.0037831100000000 ] - [ -0.0000085900000000, 0.0001394000000000, 0.0019996400000000 ] - [ -0.0000760300000000, 0.0001996700000000, 0.0012310000000000 ] - [ 0.0004498400000000, 0.0005832500000000, -0.0138152900000000 ] - [ 0.0003575700000000, 0.0000795100000000, -0.0013196900000000 ] - [ -0.0000882500000000, 0.0000270600000000, -0.0012413900000000 ] - [ 0.0002936500000000, 0.0000798200000000, -0.0019288500000000 ] - [ -0.0002159500000000, 0.0002144000000000, -0.0019288500000000 ] - [ -0.0007300300000000, 0.0000979500000000, -0.0138152900000000 ] - [ 0.0000206900000000, -0.0000899500000000, -0.0012413900000000 ] - [ -0.0002476400000000, 0.0002699100000000, -0.0013196900000000 ] - [ -0.0001766800000000, 0.0001648300000000, 0.0037831100000000 ] - [ 0.0002109400000000, -0.0000340000000000, 0.0012310000000000 ] - [ 0.0001250200000000, -0.0000622600000000, 0.0019996400000000 ] - [ -0.0000457500000000, -0.0000234000000000, 0.0012516400000000 ] - [ 0.0013441700000000, 0.0000270700000000, -0.0022183700000000 ] - [ -0.0011071400000000, 0.0000987100000000, -0.0017162000000000 ] - [ -0.0003390000000000, 0.0007444700000000, -0.0007366300000000 ] - [ -0.0001860800000000, -0.0005020500000000, -0.0009425000000000 ] - [ -0.0039300200000000, 0.0001543900000000, -0.0027522900000000 ] - [ 0.0009434300000000, 0.0000381000000000, -0.0013931600000000 ] - [ 0.0001733000000000, -0.0006454900000000, -0.0007628400000000 ] - [ 0.0002653700000000, 0.0005885000000000, -0.0005318800000000 ] - [ 0.0070305800000000, -0.0105591400000000, -0.0106739900000000 ] - [ -0.0005649400000000, -0.0002193400000000, 0.0006491500000000 ] - [ -0.0003506900000000, 0.0006848200000000, 0.0006975600000000 ] - [ 0.0003430500000000, 0.0003481700000000, 0.0004066600000000 ] - [ -0.0071756200000000, 0.0139070400000000, -0.0068452800000000 ] - [ 0.0004152700000000, 0.0001379700000000, 0.0006616000000000 ] - [ 0.0003960300000000, -0.0007869900000000, 0.0010672300000000 ] - [ -0.0006163000000000, -0.0004254900000000, 0.0008910500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0813567700000000 ] - [ -0.0000362100000000, -0.0000061600000000, 0.0006619600000000 ] - [ 0.0000234400000000, -0.0000282800000000, 0.0006619600000000 ] - [ 0.0000127700000000, 0.0000344400000000, 0.0006619600000000 ] - [ -0.0001731900000000, -0.0003418800000000, -0.0013286100000000 ] - [ 0.0003826700000000, 0.0000209500000000, -0.0013286100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006599100000000 ] - [ -0.0002094800000000, 0.0003209200000000, -0.0013286100000000 ] - [ 0.0006998200000000, 0.0002610800000000, 0.0019277400000000 ] - [ -0.0005760100000000, 0.0004755200000000, 0.0019277400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005969000000000 ] - [ -0.0001238100000000, -0.0007366000000000, 0.0019277400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0024529100000000 ] - [ -0.0000705000000000, -0.0000120700000000, -0.0008611700000000 ] - [ 0.0000457000000000, -0.0000550200000000, -0.0008611700000000 ] - [ 0.0000248000000000, 0.0000670900000000, -0.0008611700000000 ] - [ 0.0008142300000000, -0.0000786500000000, -0.0007366300000000 ] - [ -0.0006486400000000, -0.0011776300000000, -0.0022183700000000 ] - [ 0.0006390600000000, 0.0009094600000000, -0.0017162000000000 ] - [ -0.0003417400000000, 0.0004121800000000, -0.0009425000000000 ] - [ -0.0006456600000000, 0.0001726600000000, -0.0007628400000000 ] - [ 0.0020987100000000, 0.0033263000000000, -0.0027522900000000 ] - [ -0.0004387200000000, -0.0008360900000000, -0.0013931600000000 ] - [ 0.0003769700000000, -0.0005240700000000, -0.0005318800000000 ] - [ -0.0084560400000000, -0.0131677900000000, -0.0068452800000000 ] - [ 0.0006766300000000, -0.0003209800000000, 0.0008910500000000 ] - [ -0.0003271200000000, 0.0002906500000000, 0.0006616000000000 ] - [ 0.0004835400000000, 0.0007364700000000, 0.0010672300000000 ] - [ 0.0007684200000000, -0.0000387000000000, 0.0006975600000000 ] - [ -0.0126597700000000, -0.0008090900000000, -0.0106739900000000 ] - [ 0.0000925100000000, 0.0005989200000000, 0.0006491500000000 ] - [ 0.0001300000000000, -0.0004711700000000, 0.0004066600000000 ] - [ -0.0008795700000000, 0.0000505300000000, 0.0010672300000000 ] - [ 0.0156316600000000, -0.0007392500000000, -0.0068452800000000 ] - [ -0.0000881500000000, -0.0004286200000000, 0.0006616000000000 ] - [ -0.0000603300000000, 0.0007464700000000, 0.0008910500000000 ] - [ 0.0056291900000000, 0.0113682300000000, -0.0106739900000000 ] - [ -0.0004730500000000, 0.0001230000000000, 0.0004066600000000 ] - [ 0.0004724200000000, -0.0003795800000000, 0.0006491500000000 ] - [ -0.0004177300000000, -0.0006461200000000, 0.0006975600000000 ] - [ -0.0001406000000000, 0.0001430100000000, -0.0013767800000000 ] - [ 0.0001941500000000, 0.0000502600000000, -0.0013767800000000 ] - [ -0.0000535500000000, -0.0001932700000000, -0.0013767800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006746600000000 ] - [ -0.0001774500000000, -0.0000087800000000, 0.0019424000000000 ] - [ 0.0000811200000000, 0.0001580700000000, 0.0019424000000000 ] - [ 0.0000963300000000, -0.0001492900000000, 0.0019424000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005848700000000 ] - [ 0.0018313100000000, -0.0034806900000000, -0.0027522900000000 ] - [ -0.0006423400000000, -0.0000644300000000, -0.0005318800000000 ] - [ -0.0005047100000000, 0.0007979800000000, -0.0013931600000000 ] - [ 0.0004723600000000, 0.0004728300000000, -0.0007628400000000 ] - [ -0.0006955300000000, 0.0011505500000000, -0.0022183700000000 ] - [ 0.0005278300000000, 0.0000898700000000, -0.0009425000000000 ] - [ 0.0004680900000000, -0.0010081700000000, -0.0017162000000000 ] - [ -0.0004752300000000, -0.0006658200000000, -0.0007366300000000 ]- atom: 69 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0035660100000000, -0.0002124600000000, -0.0030659800000000 ] - [ -0.0021521900000000, 0.0073189700000000, 0.0045141400000000 ] - [ -0.0015550800000000, -0.0008465200000000, 0.0000117700000000 ] - [ 0.0036526700000000, 0.0023104600000000, -0.0014141700000000 ] - [ 0.0190382300000000, 0.0000000000000000, -0.0001256600000000 ] - [ -0.0036731900000000, 0.0000000000000000, -0.0001299400000000 ] - [ -0.0001910200000000, 0.0020078000000000, -0.0000036000000000 ] - [ -0.0001910200000000, -0.0020078000000000, -0.0000036000000000 ] - [ 0.0092019500000000, 0.0000000000000000, -0.0000506300000000 ] - [ -0.0027437800000000, 0.0000000000000000, 0.0000129600000000 ] - [ -0.0000207300000000, 0.0015712800000000, -0.0000653300000000 ] - [ -0.0000207300000000, -0.0015712800000000, -0.0000653300000000 ] - [ -0.0028309000000000, -0.0006474200000000, 0.0026724900000000 ] - [ -0.0022811900000000, 0.0053966700000000, -0.0033327100000000 ] - [ -0.0014035600000000, -0.0008355300000000, 0.0000166700000000 ] - [ 0.0026707800000000, 0.0018858100000000, 0.0007136800000000 ] - [ 0.0026707800000000, -0.0018858100000000, 0.0007136800000000 ] - [ -0.0014035600000000, 0.0008355300000000, 0.0000166700000000 ] - [ -0.0028309000000000, 0.0006474200000000, 0.0026724900000000 ] - [ -0.0022811900000000, -0.0053966700000000, -0.0033327100000000 ] - [ 0.0036526700000000, -0.0023104600000000, -0.0014141700000000 ] - [ -0.0015550800000000, 0.0008465200000000, 0.0000117700000000 ] - [ -0.0035660100000000, 0.0002124600000000, -0.0030659800000000 ] - [ -0.0021521900000000, -0.0073189700000000, 0.0045141400000000 ] - [ 0.0212077500000000, 0.0036939900000000, -0.0009798000000000 ] - [ -0.0045609600000000, 0.0003114200000000, 0.0002112600000000 ] - [ -0.0019549200000000, 0.0033598900000000, -0.0003661000000000 ] - [ 0.0021425300000000, -0.0043046800000000, -0.0000101400000000 ] - [ 0.0002014200000000, -0.0002707100000000, -0.0001100500000000 ] - [ -0.0002601300000000, 0.0007838000000000, 0.0001713000000000 ] - [ -0.0007567900000000, -0.0003024600000000, -0.0000612100000000 ] - [ 0.0008446800000000, -0.0001921400000000, -0.0000095400000000 ] - [ 0.0021425300000000, 0.0043046800000000, -0.0000101400000000 ] - [ -0.0019549200000000, -0.0033598900000000, -0.0003661000000000 ] - [ 0.0212077500000000, -0.0036939900000000, -0.0009798000000000 ] - [ -0.0045609600000000, -0.0003114200000000, 0.0002112600000000 ] - [ 0.0004910100000000, 0.0000000000000000, 0.0000734500000000 ] - [ -0.0002939300000000, 0.0000000000000000, 0.0002627100000000 ] - [ -0.0001156000000000, -0.0001092900000000, -0.0000675100000000 ] - [ -0.0001156000000000, 0.0001092900000000, -0.0000675100000000 ] - [ 0.0008446800000000, 0.0001921400000000, -0.0000095400000000 ] - [ -0.0007567900000000, 0.0003024600000000, -0.0000612100000000 ] - [ 0.0002014200000000, 0.0002707100000000, -0.0001100500000000 ] - [ -0.0002601300000000, -0.0007838000000000, 0.0001713000000000 ] - [ -0.0053180500000000, 0.0000000000000000, 0.0000606400000000 ] - [ 0.0251904400000000, 0.0000000000000000, 0.0015769200000000 ] - [ -0.0000631400000000, -0.0007416500000000, 0.0001893600000000 ] - [ -0.0000631400000000, 0.0007416500000000, 0.0001893600000000 ] - [ -0.0016406200000000, 0.0051525500000000, -0.0101854800000000 ] - [ 0.0020621000000000, -0.0002220200000000, 0.0009275600000000 ] - [ 0.0008805300000000, -0.0013819400000000, -0.0009496100000000 ] - [ -0.0012590000000000, 0.0017761800000000, 0.0006289300000000 ] - [ -0.0008195000000000, 0.0114294500000000, 0.0131878700000000 ] - [ 0.0019561700000000, -0.0007502200000000, -0.0006227400000000 ] - [ 0.0009279700000000, -0.0010033800000000, 0.0006619300000000 ] - [ -0.0012602200000000, 0.0019766100000000, -0.0005757500000000 ] - [ 0.0001556200000000, 0.0010822000000000, -0.0008218600000000 ] - [ 0.0005990600000000, -0.0012113700000000, 0.0006098000000000 ] - [ 0.0010967900000000, 0.0002209200000000, -0.0003172000000000 ] - [ -0.0020109600000000, 0.0008636900000000, 0.0005247400000000 ] - [ 0.0001702300000000, 0.0012037700000000, 0.0011734600000000 ] - [ 0.0009552800000000, -0.0019111700000000, -0.0004687600000000 ] - [ 0.0013585700000000, 0.0001433800000000, 0.0002908800000000 ] - [ -0.0024720100000000, 0.0004502600000000, -0.0003542400000000 ] - [ 0.0004378700000000, 0.0000374300000000, 0.0001136400000000 ] - [ -0.0004668800000000, -0.0006050300000000, -0.0004317300000000 ] - [ 0.0005545900000000, -0.0000022600000000, -0.0000561700000000 ] - [ -0.0005753600000000, 0.0005032700000000, 0.0001459700000000 ] - [ -0.1114538300000000, 0.0000000000000000, 0.0004015000000000 ] - [ 0.0023247000000000, 0.0000000000000000, -0.0000030300000000 ] - [ 0.0000942000000000, -0.0012842700000000, -0.0000292200000000 ] - [ 0.0000942000000000, 0.0012842700000000, -0.0000292200000000 ] - [ -0.0008436700000000, 0.0000000000000000, -0.0000224700000000 ] - [ 0.0014088300000000, 0.0000000000000000, -0.0000988600000000 ] - [ -0.0000176000000000, -0.0008240600000000, 0.0000168800000000 ] - [ -0.0000176000000000, 0.0008240600000000, 0.0000168800000000 ] - [ 0.0045832100000000, 0.0032940700000000, -0.0006348700000000 ] - [ 0.0045249100000000, -0.0048633000000000, 0.0006351000000000 ] - [ 0.0012455300000000, 0.0006478800000000, -0.0000550600000000 ] - [ -0.0024927200000000, -0.0008056700000000, -0.0001757600000000 ] - [ -0.0012590000000000, -0.0017761800000000, 0.0006289300000000 ] - [ 0.0008805300000000, 0.0013819400000000, -0.0009496100000000 ] - [ -0.0016406200000000, -0.0051525500000000, -0.0101854800000000 ] - [ 0.0020621000000000, 0.0002220200000000, 0.0009275600000000 ] - [ -0.0012602200000000, -0.0019766100000000, -0.0005757500000000 ] - [ 0.0009279700000000, 0.0010033800000000, 0.0006619300000000 ] - [ -0.0008195000000000, -0.0114294500000000, 0.0131878700000000 ] - [ 0.0019561700000000, 0.0007502200000000, -0.0006227400000000 ] - [ -0.0016786500000000, 0.0000000000000000, 0.0007489500000000 ] - [ 0.0023204400000000, 0.0000000000000000, -0.0023012600000000 ] - [ -0.0003122800000000, 0.0006744300000000, 0.0002399400000000 ] - [ -0.0003122800000000, -0.0006744300000000, 0.0002399400000000 ] - [ -0.0020109600000000, -0.0008636900000000, 0.0005247400000000 ] - [ 0.0010967900000000, -0.0002209200000000, -0.0003172000000000 ] - [ 0.0001556200000000, -0.0010822000000000, -0.0008218600000000 ] - [ 0.0005990600000000, 0.0012113700000000, 0.0006098000000000 ] - [ -0.0024720100000000, -0.0004502600000000, -0.0003542400000000 ] - [ 0.0013585700000000, -0.0001433800000000, 0.0002908800000000 ] - [ 0.0001702300000000, -0.0012037700000000, 0.0011734600000000 ] - [ 0.0009552800000000, 0.0019111700000000, -0.0004687600000000 ] - [ -0.0006547400000000, 0.0000000000000000, -0.0009966200000000 ] - [ 0.0019034000000000, 0.0000000000000000, 0.0017033500000000 ] - [ -0.0001424500000000, 0.0002821200000000, -0.0002472900000000 ] - [ -0.0001424500000000, -0.0002821200000000, -0.0002472900000000 ] - [ -0.0024927200000000, 0.0008056700000000, -0.0001757600000000 ] - [ 0.0012455300000000, -0.0006478800000000, -0.0000550600000000 ] - [ 0.0045832100000000, -0.0032940700000000, -0.0006348700000000 ] - [ 0.0045249100000000, 0.0048633000000000, 0.0006351000000000 ] - [ -0.0005753600000000, -0.0005032700000000, 0.0001459700000000 ] - [ 0.0005545900000000, 0.0000022600000000, -0.0000561700000000 ] - [ 0.0004378700000000, -0.0000374300000000, 0.0001136400000000 ] - [ -0.0004668800000000, 0.0006050300000000, -0.0004317300000000 ] - [ 0.0022970100000000, 0.0000000000000000, 0.0012200100000000 ] - [ 0.0190297600000000, 0.0000000000000000, -0.0261148300000000 ] - [ 0.0000566500000000, 0.0007614900000000, 0.0000154500000000 ] - [ 0.0000566500000000, -0.0007614900000000, 0.0000154500000000 ] - [ 0.0017584300000000, 0.0000000000000000, -0.0012115300000000 ] - [ 0.0072490900000000, 0.0000000000000000, 0.0203196800000000 ] - [ 0.0000259600000000, 0.0004441900000000, 0.0000763900000000 ] - [ 0.0000259600000000, -0.0004441900000000, 0.0000763900000000 ]- atom: 69 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0036019800000000, 0.0002048000000000, 0.0030884400000000 ] - [ 0.0021500100000000, -0.0073494600000000, -0.0045093900000000 ] - [ 0.0015572000000000, 0.0008534400000000, 0.0000100800000000 ] - [ -0.0036767900000000, -0.0023335300000000, 0.0014488800000000 ] - [ -0.0190970100000000, 0.0000000000000000, -0.0001296200000000 ] - [ 0.0036793200000000, 0.0000000000000000, 0.0000362400000000 ] - [ 0.0001930700000000, -0.0020153100000000, -0.0000893400000000 ] - [ 0.0001930700000000, 0.0020153100000000, -0.0000893400000000 ] - [ -0.0092342300000000, 0.0000000000000000, -0.0000518600000000 ] - [ 0.0027480900000000, 0.0000000000000000, -0.0000927700000000 ] - [ 0.0000246000000000, -0.0015724600000000, -0.0000164200000000 ] - [ 0.0000246000000000, 0.0015724600000000, -0.0000164200000000 ] - [ 0.0028553900000000, 0.0006475400000000, -0.0026350100000000 ] - [ 0.0022832400000000, -0.0054098300000000, 0.0033774200000000 ] - [ 0.0014049500000000, 0.0008439200000000, 0.0000143200000000 ] - [ -0.0026829100000000, -0.0018976000000000, -0.0006943200000000 ] - [ -0.0026829100000000, 0.0018976000000000, -0.0006943200000000 ] - [ 0.0014049500000000, -0.0008439200000000, 0.0000143200000000 ] - [ 0.0028553900000000, -0.0006475400000000, -0.0026350100000000 ] - [ 0.0022832400000000, 0.0054098300000000, 0.0033774200000000 ] - [ -0.0036767900000000, 0.0023335300000000, 0.0014488800000000 ] - [ 0.0015572000000000, -0.0008534400000000, 0.0000100800000000 ] - [ 0.0036019800000000, -0.0002048000000000, 0.0030884400000000 ] - [ 0.0021500100000000, 0.0073494600000000, -0.0045093900000000 ] - [ -0.0208899900000000, -0.0030314400000000, 0.0008466500000000 ] - [ 0.0045855800000000, -0.0003274300000000, -0.0001904400000000 ] - [ 0.0019541400000000, -0.0033535000000000, 0.0003821300000000 ] - [ -0.0021604700000000, 0.0043143800000000, 0.0000328000000000 ] - [ -0.0002051100000000, 0.0002875100000000, 0.0001368500000000 ] - [ 0.0002562800000000, -0.0007723700000000, -0.0001470300000000 ] - [ 0.0007590000000000, 0.0003177300000000, 0.0000859400000000 ] - [ -0.0008529600000000, 0.0002051500000000, 0.0000419300000000 ] - [ -0.0021604700000000, -0.0043143800000000, 0.0000328000000000 ] - [ 0.0019541400000000, 0.0033535000000000, 0.0003821300000000 ] - [ -0.0208899900000000, 0.0030314400000000, 0.0008466500000000 ] - [ 0.0045855800000000, 0.0003274300000000, -0.0001904400000000 ] - [ -0.0005185800000000, 0.0000000000000000, -0.0000288900000000 ] - [ 0.0002661000000000, 0.0000000000000000, -0.0002312100000000 ] - [ 0.0000888500000000, 0.0001127000000000, 0.0001035400000000 ] - [ 0.0000888500000000, -0.0001127000000000, 0.0001035400000000 ] - [ -0.0008529600000000, -0.0002051500000000, 0.0000419300000000 ] - [ 0.0007590000000000, -0.0003177300000000, 0.0000859400000000 ] - [ -0.0002051100000000, -0.0002875100000000, 0.0001368500000000 ] - [ 0.0002562800000000, 0.0007723700000000, -0.0001470300000000 ] - [ 0.0053075600000000, 0.0000000000000000, -0.0000240600000000 ] - [ -0.0286091600000000, 0.0000000000000000, -0.0020859100000000 ] - [ 0.0000989800000000, 0.0007566300000000, -0.0001563400000000 ] - [ 0.0000989800000000, -0.0007566300000000, -0.0001563400000000 ] - [ 0.0016076600000000, -0.0051246500000000, 0.0102336500000000 ] - [ -0.0020493300000000, 0.0002565100000000, -0.0009069800000000 ] - [ -0.0008622500000000, 0.0014113600000000, 0.0009794600000000 ] - [ 0.0012857400000000, -0.0017462400000000, -0.0005949900000000 ] - [ 0.0006698600000000, -0.0115041800000000, -0.0131617100000000 ] - [ -0.0020051100000000, 0.0006771300000000, 0.0006747400000000 ] - [ -0.0009760100000000, 0.0009258000000000, -0.0006171200000000 ] - [ 0.0012246900000000, -0.0020594800000000, 0.0006175900000000 ] - [ -0.0001157500000000, -0.0010097900000000, 0.0008647000000000 ] - [ -0.0005548300000000, 0.0012902500000000, -0.0005739500000000 ] - [ -0.0010559900000000, -0.0001435600000000, 0.0003454800000000 ] - [ 0.0020634400000000, -0.0007865000000000, -0.0004920200000000 ] - [ -0.0001938400000000, -0.0012470000000000, -0.0011488500000000 ] - [ -0.0009771000000000, 0.0018826100000000, 0.0005059900000000 ] - [ -0.0013888000000000, -0.0001814700000000, -0.0002453200000000 ] - [ 0.0024794500000000, -0.0004647200000000, 0.0003847500000000 ] - [ -0.0004200400000000, -0.0000410900000000, -0.0002281600000000 ] - [ 0.0004945900000000, 0.0006090600000000, 0.0003200800000000 ] - [ -0.0005422700000000, 0.0000045100000000, -0.0000553000000000 ] - [ 0.0005914400000000, -0.0005003700000000, -0.0002596700000000 ] - [ 0.1149111500000000, 0.0000000000000000, 0.0004070800000000 ] - [ -0.0023494200000000, 0.0000000000000000, -0.0000364500000000 ] - [ -0.0001185600000000, 0.0012871800000000, -0.0000119300000000 ] - [ -0.0001185600000000, -0.0012871800000000, -0.0000119300000000 ] - [ 0.0008641800000000, 0.0000000000000000, -0.0000242000000000 ] - [ -0.0013992300000000, 0.0000000000000000, 0.0000550400000000 ] - [ 0.0000390100000000, 0.0008287500000000, -0.0000604900000000 ] - [ 0.0000390100000000, -0.0008287500000000, -0.0000604900000000 ] - [ -0.0045460100000000, -0.0032299500000000, 0.0005162400000000 ] - [ -0.0045985800000000, 0.0048998600000000, -0.0007571600000000 ] - [ -0.0012657200000000, -0.0006618100000000, -0.0000554600000000 ] - [ 0.0024883600000000, 0.0008225200000000, 0.0000689900000000 ] - [ 0.0012857400000000, 0.0017462400000000, -0.0005949900000000 ] - [ -0.0008622500000000, -0.0014113600000000, 0.0009794600000000 ] - [ 0.0016076600000000, 0.0051246500000000, 0.0102336500000000 ] - [ -0.0020493300000000, -0.0002565100000000, -0.0009069800000000 ] - [ 0.0012246900000000, 0.0020594800000000, 0.0006175900000000 ] - [ -0.0009760100000000, -0.0009258000000000, -0.0006171200000000 ] - [ 0.0006698600000000, 0.0115041800000000, -0.0131617100000000 ] - [ -0.0020051100000000, -0.0006771300000000, 0.0006747400000000 ] - [ 0.0016922600000000, 0.0000000000000000, -0.0007226600000000 ] - [ -0.0022878700000000, 0.0000000000000000, 0.0023422000000000 ] - [ 0.0003538000000000, -0.0006785800000000, -0.0002012400000000 ] - [ 0.0003538000000000, 0.0006785800000000, -0.0002012400000000 ] - [ 0.0020634400000000, 0.0007865000000000, -0.0004920200000000 ] - [ -0.0010559900000000, 0.0001435600000000, 0.0003454800000000 ] - [ -0.0001157500000000, 0.0010097900000000, 0.0008647000000000 ] - [ -0.0005548300000000, -0.0012902500000000, -0.0005739500000000 ] - [ 0.0024794500000000, 0.0004647200000000, 0.0003847500000000 ] - [ -0.0013888000000000, 0.0001814700000000, -0.0002453200000000 ] - [ -0.0001938400000000, 0.0012470000000000, -0.0011488500000000 ] - [ -0.0009771000000000, -0.0018826100000000, 0.0005059900000000 ] - [ 0.0005595000000000, 0.0000000000000000, 0.0010337000000000 ] - [ -0.0019944400000000, 0.0000000000000000, -0.0016643600000000 ] - [ 0.0000525800000000, -0.0002850800000000, 0.0002802500000000 ] - [ 0.0000525800000000, 0.0002850800000000, 0.0002802500000000 ] - [ 0.0024883600000000, -0.0008225200000000, 0.0000689900000000 ] - [ -0.0012657200000000, 0.0006618100000000, -0.0000554600000000 ] - [ -0.0045460100000000, 0.0032299500000000, 0.0005162400000000 ] - [ -0.0045985800000000, -0.0048998600000000, -0.0007571600000000 ] - [ 0.0005914400000000, 0.0005003700000000, -0.0002596700000000 ] - [ -0.0005422700000000, -0.0000045100000000, -0.0000553000000000 ] - [ -0.0004200400000000, 0.0000410900000000, -0.0002281600000000 ] - [ 0.0004945900000000, -0.0006090600000000, 0.0003200800000000 ] - [ -0.0022060500000000, 0.0000000000000000, -0.0011602300000000 ] - [ -0.0192034500000000, 0.0000000000000000, 0.0265784800000000 ] - [ 0.0000324100000000, -0.0007686400000000, 0.0000165000000000 ] - [ 0.0000324100000000, 0.0007686400000000, 0.0000165000000000 ] - [ -0.0017992500000000, 0.0000000000000000, 0.0012329400000000 ] - [ -0.0073080500000000, 0.0000000000000000, -0.0205054000000000 ] - [ -0.0000686200000000, -0.0004494300000000, -0.0000327800000000 ] - [ -0.0000686200000000, 0.0004494300000000, -0.0000327800000000 ]- atom: 69 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0039196400000000, -0.0010312500000000, -0.0009810800000000 ] - [ 0.0028529100000000, -0.0028788800000000, -0.0009810800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000439000000000 ] - [ 0.0010667300000000, 0.0039101300000000, -0.0009810800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0301857400000000 ] - [ 0.0002606300000000, 0.0000000000000000, 0.0004133400000000 ] - [ -0.0001303100000000, 0.0002257100000000, 0.0004133400000000 ] - [ -0.0001303100000000, -0.0002257100000000, 0.0004133400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0111741900000000 ] - [ -0.0001354900000000, 0.0000000000000000, -0.0004622700000000 ] - [ 0.0000677400000000, -0.0001173300000000, -0.0004622700000000 ] - [ 0.0000677400000000, 0.0001173300000000, -0.0004622700000000 ] - [ 0.0044171100000000, 0.0006610200000000, -0.0012002500000000 ] - [ -0.0027810100000000, 0.0034948200000000, -0.0012002500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000334800000000 ] - [ -0.0016361000000000, -0.0041558400000000, -0.0012002500000000 ] - [ -0.0016361000000000, 0.0041558400000000, -0.0012002500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000334800000000 ] - [ 0.0044171100000000, -0.0006610200000000, -0.0012002500000000 ] - [ -0.0027810100000000, -0.0034948200000000, -0.0012002500000000 ] - [ 0.0010667300000000, -0.0039101300000000, -0.0009810800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000439000000000 ] - [ -0.0039196400000000, 0.0010312500000000, -0.0009810800000000 ] - [ 0.0028529100000000, 0.0028788800000000, -0.0009810800000000 ] - [ 0.0000839200000000, 0.0001453500000000, 0.0138746100000000 ] - [ -0.0003816600000000, -0.0000918300000000, 0.0013661900000000 ] - [ 0.0001113000000000, -0.0003764400000000, 0.0013661900000000 ] - [ -0.0001685500000000, -0.0002919400000000, 0.0020190400000000 ] - [ -0.0000773400000000, -0.0001339600000000, -0.0020426700000000 ] - [ 0.0001118700000000, -0.0002008200000000, -0.0012349000000000 ] - [ -0.0002298600000000, -0.0000035300000000, -0.0012349000000000 ] - [ 0.0001693800000000, 0.0002933700000000, -0.0040507400000000 ] - [ -0.0001685500000000, 0.0002919400000000, 0.0020190400000000 ] - [ 0.0001113000000000, 0.0003764400000000, 0.0013661900000000 ] - [ 0.0000839200000000, -0.0001453500000000, 0.0138746100000000 ] - [ -0.0003816600000000, 0.0000918300000000, 0.0013661900000000 ] - [ -0.0003387600000000, 0.0000000000000000, -0.0040507400000000 ] - [ 0.0001546900000000, 0.0000000000000000, -0.0020426700000000 ] - [ 0.0001179800000000, -0.0001973000000000, -0.0012349000000000 ] - [ 0.0001179800000000, 0.0001973000000000, -0.0012349000000000 ] - [ 0.0001693800000000, -0.0002933700000000, -0.0040507400000000 ] - [ -0.0002298600000000, 0.0000035300000000, -0.0012349000000000 ] - [ -0.0000773400000000, 0.0001339600000000, -0.0020426700000000 ] - [ 0.0001118700000000, 0.0002008200000000, -0.0012349000000000 ] - [ 0.0003371000000000, 0.0000000000000000, 0.0020190400000000 ] - [ -0.0001678400000000, 0.0000000000000000, 0.0138746100000000 ] - [ 0.0002703600000000, 0.0002846100000000, 0.0013661900000000 ] - [ 0.0002703600000000, -0.0002846100000000, 0.0013661900000000 ] - [ -0.0062445600000000, -0.0108159000000000, 0.0121001400000000 ] - [ 0.0005276500000000, -0.0001083000000000, -0.0003537700000000 ] - [ -0.0003576100000000, 0.0004028100000000, -0.0003537700000000 ] - [ 0.0003534800000000, 0.0006122400000000, -0.0005629000000000 ] - [ 0.0071210600000000, 0.0123340300000000, 0.0050610000000000 ] - [ -0.0005688200000000, 0.0002272800000000, -0.0009128300000000 ] - [ 0.0004812400000000, -0.0003789700000000, -0.0009128300000000 ] - [ -0.0005000200000000, -0.0008660500000000, -0.0012063700000000 ] - [ -0.0005732900000000, -0.0009929700000000, 0.0019839200000000 ] - [ 0.0003738700000000, -0.0003981800000000, 0.0010965000000000 ] - [ -0.0005317700000000, 0.0001246900000000, 0.0010965000000000 ] - [ 0.0006250100000000, 0.0010825500000000, 0.0023253000000000 ] - [ 0.0004625300000000, 0.0008011300000000, 0.0012988200000000 ] - [ -0.0004583900000000, 0.0005622400000000, 0.0005114300000000 ] - [ 0.0007161100000000, -0.0001158500000000, 0.0005114300000000 ] - [ -0.0027070800000000, -0.0046888100000000, 0.0032366000000000 ] - [ 0.0003027000000000, 0.0004374800000000, 0.0012479500000000 ] - [ -0.0005302200000000, 0.0000434000000000, 0.0012479500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005770700000000 ] - [ 0.0002275200000000, -0.0004808800000000, 0.0012479500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.1085960200000000 ] - [ 0.0000221900000000, 0.0000000000000000, -0.0007800100000000 ] - [ -0.0000111000000000, 0.0000192200000000, -0.0007800100000000 ] - [ -0.0000111000000000, -0.0000192200000000, -0.0007800100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0024801800000000 ] - [ 0.0000806000000000, 0.0000000000000000, 0.0008288700000000 ] - [ -0.0000403000000000, 0.0000698000000000, 0.0008288700000000 ] - [ -0.0000403000000000, -0.0000698000000000, 0.0008288700000000 ] - [ -0.0007544000000000, -0.0004191600000000, -0.0020099800000000 ] - [ 0.0007402000000000, -0.0004437500000000, -0.0020099800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006781900000000 ] - [ 0.0000142000000000, 0.0008629100000000, -0.0020099800000000 ] - [ 0.0003534800000000, -0.0006122400000000, -0.0005629000000000 ] - [ -0.0003576100000000, -0.0004028100000000, -0.0003537700000000 ] - [ -0.0062445600000000, 0.0108159000000000, 0.0121001400000000 ] - [ 0.0005276500000000, 0.0001083000000000, -0.0003537700000000 ] - [ -0.0005000200000000, 0.0008660500000000, -0.0012063700000000 ] - [ 0.0004812400000000, 0.0003789700000000, -0.0009128300000000 ] - [ 0.0071210600000000, -0.0123340300000000, 0.0050610000000000 ] - [ -0.0005688200000000, -0.0002272800000000, -0.0009128300000000 ] - [ 0.0054141700000000, 0.0000000000000000, 0.0032366000000000 ] - [ -0.0009250600000000, 0.0000000000000000, 0.0012988200000000 ] - [ -0.0002577300000000, 0.0006781000000000, 0.0005114300000000 ] - [ -0.0002577300000000, -0.0006781000000000, 0.0005114300000000 ] - [ 0.0006250100000000, -0.0010825500000000, 0.0023253000000000 ] - [ -0.0005317700000000, -0.0001246900000000, 0.0010965000000000 ] - [ -0.0005732900000000, 0.0009929700000000, 0.0019839200000000 ] - [ 0.0003738700000000, 0.0003981800000000, 0.0010965000000000 ] - [ -0.0027070800000000, 0.0046888100000000, 0.0032366000000000 ] - [ 0.0007161100000000, 0.0001158500000000, 0.0005114300000000 ] - [ 0.0004625300000000, -0.0008011300000000, 0.0012988200000000 ] - [ -0.0004583900000000, -0.0005622400000000, 0.0005114300000000 ] - [ -0.0012500200000000, 0.0000000000000000, 0.0023253000000000 ] - [ 0.0011465900000000, 0.0000000000000000, 0.0019839200000000 ] - [ 0.0001579000000000, -0.0005228700000000, 0.0010965000000000 ] - [ 0.0001579000000000, 0.0005228700000000, 0.0010965000000000 ] - [ 0.0000142000000000, -0.0008629100000000, -0.0020099800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006781900000000 ] - [ -0.0007544000000000, 0.0004191600000000, -0.0020099800000000 ] - [ 0.0007402000000000, 0.0004437500000000, -0.0020099800000000 ] - [ 0.0002275200000000, 0.0004808800000000, 0.0012479500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005770700000000 ] - [ 0.0003027000000000, -0.0004374800000000, 0.0012479500000000 ] - [ -0.0005302200000000, -0.0000434000000000, 0.0012479500000000 ] - [ 0.0010000300000000, 0.0000000000000000, -0.0012063700000000 ] - [ -0.0142421100000000, 0.0000000000000000, 0.0050610000000000 ] - [ 0.0000875800000000, 0.0006062500000000, -0.0009128300000000 ] - [ 0.0000875800000000, -0.0006062500000000, -0.0009128300000000 ] - [ -0.0007069500000000, 0.0000000000000000, -0.0005629000000000 ] - [ 0.0124891300000000, 0.0000000000000000, 0.0121001400000000 ] - [ -0.0001700400000000, -0.0005111100000000, -0.0003537700000000 ] - [ -0.0001700400000000, 0.0005111100000000, -0.0003537700000000 ]- atom: 69 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0039057200000000, 0.0010148000000000, 0.0010205800000000 ] - [ -0.0028317000000000, 0.0028750600000000, 0.0010205800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000080200000000 ] - [ -0.0010740200000000, -0.0038898600000000, 0.0010205800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0278067900000000 ] - [ -0.0002607700000000, 0.0000000000000000, -0.0004789100000000 ] - [ 0.0001303800000000, -0.0002258300000000, -0.0004789100000000 ] - [ 0.0001303800000000, 0.0002258300000000, -0.0004789100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0111473100000000 ] - [ 0.0001347200000000, 0.0000000000000000, 0.0003868200000000 ] - [ -0.0000673600000000, 0.0001166700000000, 0.0003868200000000 ] - [ -0.0000673600000000, -0.0001166700000000, 0.0003868200000000 ] - [ -0.0044031000000000, -0.0006600800000000, 0.0012218500000000 ] - [ 0.0027732000000000, -0.0034831600000000, 0.0012218500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000600300000000 ] - [ 0.0016299000000000, 0.0041432400000000, 0.0012218500000000 ] - [ 0.0016299000000000, -0.0041432400000000, 0.0012218500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000600300000000 ] - [ -0.0044031000000000, 0.0006600800000000, 0.0012218500000000 ] - [ 0.0027732000000000, 0.0034831600000000, 0.0012218500000000 ] - [ -0.0010740200000000, 0.0038898600000000, 0.0010205800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000080200000000 ] - [ 0.0039057200000000, -0.0010148000000000, 0.0010205800000000 ] - [ -0.0028317000000000, -0.0028750600000000, 0.0010205800000000 ] - [ -0.0000924400000000, -0.0001601100000000, -0.0136837400000000 ] - [ 0.0003641500000000, 0.0000749100000000, -0.0013338200000000 ] - [ -0.0001172100000000, 0.0003528200000000, -0.0013338200000000 ] - [ 0.0001552900000000, 0.0002689700000000, -0.0019832900000000 ] - [ 0.0000843000000000, 0.0001460000000000, 0.0020603700000000 ] - [ -0.0001008700000000, 0.0002135900000000, 0.0012553200000000 ] - [ 0.0002354100000000, 0.0000194400000000, 0.0012553200000000 ] - [ -0.0001554700000000, -0.0002692900000000, 0.0040483200000000 ] - [ 0.0001552900000000, -0.0002689700000000, -0.0019832900000000 ] - [ -0.0001172100000000, -0.0003528200000000, -0.0013338200000000 ] - [ -0.0000924400000000, 0.0001601100000000, -0.0136837400000000 ] - [ 0.0003641500000000, -0.0000749100000000, -0.0013338200000000 ] - [ 0.0003109500000000, 0.0000000000000000, 0.0040483200000000 ] - [ -0.0001685900000000, 0.0000000000000000, 0.0020603700000000 ] - [ -0.0001345400000000, 0.0001941500000000, 0.0012553200000000 ] - [ -0.0001345400000000, -0.0001941500000000, 0.0012553200000000 ] - [ -0.0001554700000000, 0.0002692900000000, 0.0040483200000000 ] - [ 0.0002354100000000, -0.0000194400000000, 0.0012553200000000 ] - [ 0.0000843000000000, -0.0001460000000000, 0.0020603700000000 ] - [ -0.0001008700000000, -0.0002135900000000, 0.0012553200000000 ] - [ -0.0003105800000000, 0.0000000000000000, -0.0019832900000000 ] - [ 0.0001848800000000, 0.0000000000000000, -0.0136837400000000 ] - [ -0.0002469500000000, -0.0002779100000000, -0.0013338200000000 ] - [ -0.0002469500000000, 0.0002779100000000, -0.0013338200000000 ] - [ 0.0063314600000000, 0.0109664200000000, -0.0121225300000000 ] - [ -0.0004982900000000, 0.0001503900000000, 0.0003619100000000 ] - [ 0.0003793900000000, -0.0003563300000000, 0.0003619100000000 ] - [ -0.0003256300000000, -0.0005640000000000, 0.0005732000000000 ] - [ -0.0070921400000000, -0.0122839400000000, -0.0050024000000000 ] - [ 0.0005205100000000, -0.0003105200000000, 0.0009644100000000 ] - [ -0.0005291800000000, 0.0002955100000000, 0.0009644100000000 ] - [ 0.0004522100000000, 0.0007832600000000, 0.0012516700000000 ] - [ 0.0006206500000000, 0.0010750000000000, -0.0019287500000000 ] - [ -0.0003270600000000, 0.0004801800000000, -0.0010356100000000 ] - [ 0.0005793800000000, -0.0000431600000000, -0.0010356100000000 ] - [ -0.0005750800000000, -0.0009960700000000, -0.0022400500000000 ] - [ -0.0004845700000000, -0.0008393000000000, -0.0012789200000000 ] - [ 0.0004313200000000, -0.0006032300000000, -0.0005005600000000 ] - [ -0.0007380700000000, 0.0000719200000000, -0.0005005600000000 ] - [ 0.0026467000000000, 0.0045842200000000, -0.0032279700000000 ] - [ -0.0002927000000000, -0.0004147800000000, -0.0013561500000000 ] - [ 0.0005055600000000, -0.0000460900000000, -0.0013561500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006879400000000 ] - [ -0.0002128600000000, 0.0004608800000000, -0.0013561500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.1056237000000000 ] - [ -0.0000186000000000, 0.0000000000000000, 0.0007409100000000 ] - [ 0.0000093000000000, -0.0000161100000000, 0.0007409100000000 ] - [ 0.0000093000000000, 0.0000161100000000, 0.0007409100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0024934800000000 ] - [ -0.0000739300000000, 0.0000000000000000, -0.0008630000000000 ] - [ 0.0000369600000000, -0.0000640300000000, -0.0008630000000000 ] - [ 0.0000369600000000, 0.0000640300000000, -0.0008630000000000 ] - [ 0.0007333600000000, 0.0004150600000000, 0.0018895100000000 ] - [ -0.0007261400000000, 0.0004275800000000, 0.0018895100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005606400000000 ] - [ -0.0000072300000000, -0.0008426400000000, 0.0018895100000000 ] - [ -0.0003256300000000, 0.0005640000000000, 0.0005732000000000 ] - [ 0.0003793900000000, 0.0003563300000000, 0.0003619100000000 ] - [ 0.0063314600000000, -0.0109664200000000, -0.0121225300000000 ] - [ -0.0004982900000000, -0.0001503900000000, 0.0003619100000000 ] - [ 0.0004522100000000, -0.0007832600000000, 0.0012516700000000 ] - [ -0.0005291800000000, -0.0002955100000000, 0.0009644100000000 ] - [ -0.0070921400000000, 0.0122839400000000, -0.0050024000000000 ] - [ 0.0005205100000000, 0.0003105200000000, 0.0009644100000000 ] - [ -0.0052934000000000, 0.0000000000000000, -0.0032279700000000 ] - [ 0.0009691400000000, 0.0000000000000000, -0.0012789200000000 ] - [ 0.0003067500000000, -0.0006751400000000, -0.0005005600000000 ] - [ 0.0003067500000000, 0.0006751400000000, -0.0005005600000000 ] - [ -0.0005750800000000, 0.0009960700000000, -0.0022400500000000 ] - [ 0.0005793800000000, 0.0000431600000000, -0.0010356100000000 ] - [ 0.0006206500000000, -0.0010750000000000, -0.0019287500000000 ] - [ -0.0003270600000000, -0.0004801800000000, -0.0010356100000000 ] - [ 0.0026467000000000, -0.0045842200000000, -0.0032279700000000 ] - [ -0.0007380700000000, -0.0000719200000000, -0.0005005600000000 ] - [ -0.0004845700000000, 0.0008393000000000, -0.0012789200000000 ] - [ 0.0004313200000000, 0.0006032300000000, -0.0005005600000000 ] - [ 0.0011501600000000, 0.0000000000000000, -0.0022400500000000 ] - [ -0.0012413000000000, 0.0000000000000000, -0.0019287500000000 ] - [ -0.0002523100000000, 0.0005233400000000, -0.0010356100000000 ] - [ -0.0002523100000000, -0.0005233400000000, -0.0010356100000000 ] - [ -0.0000072300000000, 0.0008426400000000, 0.0018895100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005606400000000 ] - [ 0.0007333600000000, -0.0004150600000000, 0.0018895100000000 ] - [ -0.0007261400000000, -0.0004275800000000, 0.0018895100000000 ] - [ -0.0002128600000000, -0.0004608800000000, -0.0013561500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006879400000000 ] - [ -0.0002927000000000, 0.0004147800000000, -0.0013561500000000 ] - [ 0.0005055600000000, 0.0000460900000000, -0.0013561500000000 ] - [ -0.0009044300000000, 0.0000000000000000, 0.0012516700000000 ] - [ 0.0141842800000000, 0.0000000000000000, -0.0050024000000000 ] - [ 0.0000086600000000, -0.0006060400000000, 0.0009644100000000 ] - [ 0.0000086600000000, 0.0006060400000000, 0.0009644100000000 ] - [ 0.0006512500000000, 0.0000000000000000, 0.0005732000000000 ] - [ -0.0126629300000000, 0.0000000000000000, -0.0121225300000000 ] - [ 0.0001189000000000, 0.0005067300000000, 0.0003619100000000 ] - [ 0.0001189000000000, -0.0005067300000000, 0.0003619100000000 ]