# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/b6b514ac-2397-4c90-9626-72c1c87c0842/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 LiNbZnO4 / P4_322 (95) / materials id 18037](https://mdr.nims.go.jp/datasets/7f39f1e1-077e-41b3-9ae7-17c2dbcd0fc0) ## 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: "P4_322" number: 95 Hall_symbol: "P 4cw 2c"supercell_matrix:- [ 2, 0, 0 ]- [ 0, 2, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 6.085583100000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 6.085583100000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 8.374997810000000 ] # c points: - symbol: Li # 1 coordinates: [ 0.216231950000000, 0.000000000000000, 0.250000000000000 ] mass: 6.941000 - symbol: Li # 2 coordinates: [ 0.000000000000000, 0.216231950000000, 0.000000000000000 ] mass: 6.941000 - symbol: Li # 3 coordinates: [ 0.000000000000000, 0.783768050000000, 0.500000000000000 ] mass: 6.941000 - symbol: Li # 4 coordinates: [ 0.783768050000000, 0.000000000000000, 0.750000000000000 ] mass: 6.941000 - symbol: O # 5 coordinates: [ 0.265379980000000, 0.518533650000000, 0.485586530000000 ] mass: 15.999400 - symbol: O # 6 coordinates: [ 0.518533650000000, 0.734620020000000, 0.735586530000000 ] mass: 15.999400 - symbol: O # 7 coordinates: [ 0.481466350000000, 0.265379980000000, 0.235586530000000 ] mass: 15.999400 - symbol: O # 8 coordinates: [ 0.734620020000000, 0.518533650000000, 0.514413470000000 ] mass: 15.999400 - symbol: O # 9 coordinates: [ 0.734620020000000, 0.481466350000000, 0.985586530000000 ] mass: 15.999400 - symbol: O # 10 coordinates: [ 0.014421980000000, 0.739174380000000, 0.248001730000000 ] mass: 15.999400 - symbol: O # 11 coordinates: [ 0.481466350000000, 0.734620020000000, 0.264413470000000 ] mass: 15.999400 - symbol: O # 12 coordinates: [ 0.518533650000000, 0.265379980000000, 0.764413470000000 ] mass: 15.999400 - symbol: O # 13 coordinates: [ 0.260825620000000, 0.014421980000000, 0.998001730000000 ] mass: 15.999400 - symbol: O # 14 coordinates: [ 0.985578020000000, 0.260825620000000, 0.748001730000000 ] mass: 15.999400 - symbol: O # 15 coordinates: [ 0.739174380000000, 0.014421980000000, 0.001998270000000 ] mass: 15.999400 - symbol: O # 16 coordinates: [ 0.260825620000000, 0.985578020000000, 0.501998270000000 ] mass: 15.999400 - symbol: O # 17 coordinates: [ 0.985578020000000, 0.739174380000000, 0.751998270000000 ] mass: 15.999400 - symbol: O # 18 coordinates: [ 0.739174380000000, 0.985578020000000, 0.498001730000000 ] mass: 15.999400 - symbol: O # 19 coordinates: [ 0.014421980000000, 0.260825620000000, 0.251998270000000 ] mass: 15.999400 - symbol: O # 20 coordinates: [ 0.265379980000000, 0.481466350000000, 0.014413470000000 ] mass: 15.999400 - symbol: Zn # 21 coordinates: [ 0.258827370000000, 0.258827370000000, 0.625000000000000 ] mass: 65.380000 - symbol: Zn # 22 coordinates: [ 0.258827370000000, 0.741172630000000, 0.875000000000000 ] mass: 65.380000 - symbol: Zn # 23 coordinates: [ 0.741172630000000, 0.741172630000000, 0.125000000000000 ] mass: 65.380000 - symbol: Zn # 24 coordinates: [ 0.741172630000000, 0.258827370000000, 0.375000000000000 ] mass: 65.380000 - symbol: Nb # 25 coordinates: [ 0.787371830000000, 0.500000000000000, 0.750000000000000 ] mass: 92.906380 - symbol: Nb # 26 coordinates: [ 0.212628170000000, 0.500000000000000, 0.250000000000000 ] mass: 92.906380 - symbol: Nb # 27 coordinates: [ 0.500000000000000, 0.787371830000000, 0.500000000000000 ] mass: 92.906380 - symbol: Nb # 28 coordinates: [ 0.500000000000000, 0.212628170000000, 0.000000000000000 ] mass: 92.906380 reciprocal_lattice: # without 2pi - [ 0.164322791023920, 0.000000000000000, 0.000000000000000 ] # a* - [ 0.000000000000000, 0.164322791023920, 0.000000000000000 ] # b* - [ 0.000000000000000, 0.000000000000000, 0.119403016297625 ] # c*unit_cell: lattice: - [ 6.085583100000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 6.085583100000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 8.374997810000000 ] # c points: - symbol: Li # 1 coordinates: [ 0.216231950000000, 0.000000000000000, 0.250000000000000 ] mass: 6.941000 reduced_to: 1 - symbol: Li # 2 coordinates: [ 0.000000000000000, 0.216231950000000, 0.000000000000000 ] mass: 6.941000 reduced_to: 2 - symbol: Li # 3 coordinates: [ 0.000000000000000, 0.783768050000000, 0.500000000000000 ] mass: 6.941000 reduced_to: 3 - symbol: Li # 4 coordinates: [ 0.783768050000000, 0.000000000000000, 0.750000000000000 ] mass: 6.941000 reduced_to: 4 - symbol: O # 5 coordinates: [ 0.265379980000000, 0.518533650000000, 0.485586530000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 6 coordinates: [ 0.518533650000000, 0.734620020000000, 0.735586530000000 ] mass: 15.999400 reduced_to: 6 - symbol: O # 7 coordinates: [ 0.481466350000000, 0.265379980000000, 0.235586530000000 ] mass: 15.999400 reduced_to: 7 - symbol: O # 8 coordinates: [ 0.734620020000000, 0.518533650000000, 0.514413470000000 ] mass: 15.999400 reduced_to: 8 - symbol: O # 9 coordinates: [ 0.734620020000000, 0.481466350000000, 0.985586530000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 10 coordinates: [ 0.014421980000000, 0.739174380000000, 0.248001730000000 ] mass: 15.999400 reduced_to: 10 - symbol: O # 11 coordinates: [ 0.481466350000000, 0.734620020000000, 0.264413470000000 ] mass: 15.999400 reduced_to: 11 - symbol: O # 12 coordinates: [ 0.518533650000000, 0.265379980000000, 0.764413470000000 ] mass: 15.999400 reduced_to: 12 - symbol: O # 13 coordinates: [ 0.260825620000000, 0.014421980000000, 0.998001730000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 14 coordinates: [ 0.985578020000000, 0.260825620000000, 0.748001730000000 ] mass: 15.999400 reduced_to: 14 - symbol: O # 15 coordinates: [ 0.739174380000000, 0.014421980000000, 0.001998270000000 ] mass: 15.999400 reduced_to: 15 - symbol: O # 16 coordinates: [ 0.260825620000000, 0.985578020000000, 0.501998270000000 ] mass: 15.999400 reduced_to: 16 - symbol: O # 17 coordinates: [ 0.985578020000000, 0.739174380000000, 0.751998270000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 18 coordinates: [ 0.739174380000000, 0.985578020000000, 0.498001730000000 ] mass: 15.999400 reduced_to: 18 - symbol: O # 19 coordinates: [ 0.014421980000000, 0.260825620000000, 0.251998270000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 20 coordinates: [ 0.265379980000000, 0.481466350000000, 0.014413470000000 ] mass: 15.999400 reduced_to: 20 - symbol: Zn # 21 coordinates: [ 0.258827370000000, 0.258827370000000, 0.625000000000000 ] mass: 65.380000 reduced_to: 21 - symbol: Zn # 22 coordinates: [ 0.258827370000000, 0.741172630000000, 0.875000000000000 ] mass: 65.380000 reduced_to: 22 - symbol: Zn # 23 coordinates: [ 0.741172630000000, 0.741172630000000, 0.125000000000000 ] mass: 65.380000 reduced_to: 23 - symbol: Zn # 24 coordinates: [ 0.741172630000000, 0.258827370000000, 0.375000000000000 ] mass: 65.380000 reduced_to: 24 - symbol: Nb # 25 coordinates: [ 0.787371830000000, 0.500000000000000, 0.750000000000000 ] mass: 92.906380 reduced_to: 25 - symbol: Nb # 26 coordinates: [ 0.212628170000000, 0.500000000000000, 0.250000000000000 ] mass: 92.906380 reduced_to: 26 - symbol: Nb # 27 coordinates: [ 0.500000000000000, 0.787371830000000, 0.500000000000000 ] mass: 92.906380 reduced_to: 27 - symbol: Nb # 28 coordinates: [ 0.500000000000000, 0.212628170000000, 0.000000000000000 ] mass: 92.906380 reduced_to: 28supercell: lattice: - [ 12.171166200000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 12.171166200000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 8.374997810000000 ] # c points: - symbol: Li # 1 coordinates: [ 0.108115975000000, 0.000000000000000, 0.250000000000000 ] mass: 6.941000 reduced_to: 1 - symbol: Li # 2 coordinates: [ 0.608115975000000, 0.000000000000000, 0.250000000000000 ] mass: 6.941000 reduced_to: 1 - symbol: Li # 3 coordinates: [ 0.108115975000000, 0.500000000000000, 0.250000000000000 ] mass: 6.941000 reduced_to: 1 - symbol: Li # 4 coordinates: [ 0.608115975000000, 0.500000000000000, 0.250000000000000 ] mass: 6.941000 reduced_to: 1 - symbol: Li # 5 coordinates: [ 0.000000000000000, 0.108115975000000, 0.000000000000000 ] mass: 6.941000 reduced_to: 5 - symbol: Li # 6 coordinates: [ 0.500000000000000, 0.108115975000000, 0.000000000000000 ] mass: 6.941000 reduced_to: 5 - symbol: Li # 7 coordinates: [ 0.000000000000000, 0.608115975000000, 0.000000000000000 ] mass: 6.941000 reduced_to: 5 - symbol: Li # 8 coordinates: [ 0.500000000000000, 0.608115975000000, 0.000000000000000 ] mass: 6.941000 reduced_to: 5 - symbol: Li # 9 coordinates: [ 0.000000000000000, 0.391884025000000, 0.500000000000000 ] mass: 6.941000 reduced_to: 9 - symbol: Li # 10 coordinates: [ 0.500000000000000, 0.391884025000000, 0.500000000000000 ] mass: 6.941000 reduced_to: 9 - symbol: Li # 11 coordinates: [ 0.000000000000000, 0.891884025000000, 0.500000000000000 ] mass: 6.941000 reduced_to: 9 - symbol: Li # 12 coordinates: [ 0.500000000000000, 0.891884025000000, 0.500000000000000 ] mass: 6.941000 reduced_to: 9 - symbol: Li # 13 coordinates: [ 0.391884025000000, 0.000000000000000, 0.750000000000000 ] mass: 6.941000 reduced_to: 13 - symbol: Li # 14 coordinates: [ 0.891884025000000, 0.000000000000000, 0.750000000000000 ] mass: 6.941000 reduced_to: 13 - symbol: Li # 15 coordinates: [ 0.391884025000000, 0.500000000000000, 0.750000000000000 ] mass: 6.941000 reduced_to: 13 - symbol: Li # 16 coordinates: [ 0.891884025000000, 0.500000000000000, 0.750000000000000 ] mass: 6.941000 reduced_to: 13 - symbol: O # 17 coordinates: [ 0.132689990000000, 0.259266825000000, 0.485586530000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 18 coordinates: [ 0.632689990000000, 0.259266825000000, 0.485586530000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 19 coordinates: [ 0.132689990000000, 0.759266825000000, 0.485586530000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 20 coordinates: [ 0.632689990000000, 0.759266825000000, 0.485586530000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 21 coordinates: [ 0.259266825000000, 0.367310010000000, 0.735586530000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 22 coordinates: [ 0.759266825000000, 0.367310010000000, 0.735586530000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 23 coordinates: [ 0.259266825000000, 0.867310010000000, 0.735586530000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 24 coordinates: [ 0.759266825000000, 0.867310010000000, 0.735586530000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 25 coordinates: [ 0.240733175000000, 0.132689990000000, 0.235586530000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 26 coordinates: [ 0.740733175000000, 0.132689990000000, 0.235586530000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 27 coordinates: [ 0.240733175000000, 0.632689990000000, 0.235586530000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 28 coordinates: [ 0.740733175000000, 0.632689990000000, 0.235586530000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 29 coordinates: [ 0.367310010000000, 0.259266825000000, 0.514413470000000 ] mass: 15.999400 reduced_to: 29 - symbol: O # 30 coordinates: [ 0.867310010000000, 0.259266825000000, 0.514413470000000 ] mass: 15.999400 reduced_to: 29 - symbol: O # 31 coordinates: [ 0.367310010000000, 0.759266825000000, 0.514413470000000 ] mass: 15.999400 reduced_to: 29 - symbol: O # 32 coordinates: [ 0.867310010000000, 0.759266825000000, 0.514413470000000 ] mass: 15.999400 reduced_to: 29 - symbol: O # 33 coordinates: [ 0.367310010000000, 0.240733175000000, 0.985586530000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 34 coordinates: [ 0.867310010000000, 0.240733175000000, 0.985586530000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 35 coordinates: [ 0.367310010000000, 0.740733175000000, 0.985586530000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 36 coordinates: [ 0.867310010000000, 0.740733175000000, 0.985586530000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 37 coordinates: [ 0.007210990000000, 0.369587190000000, 0.248001730000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 38 coordinates: [ 0.507210990000000, 0.369587190000000, 0.248001730000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 39 coordinates: [ 0.007210990000000, 0.869587190000000, 0.248001730000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 40 coordinates: [ 0.507210990000000, 0.869587190000000, 0.248001730000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 41 coordinates: [ 0.240733175000000, 0.367310010000000, 0.264413470000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 42 coordinates: [ 0.740733175000000, 0.367310010000000, 0.264413470000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 43 coordinates: [ 0.240733175000000, 0.867310010000000, 0.264413470000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 44 coordinates: [ 0.740733175000000, 0.867310010000000, 0.264413470000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 45 coordinates: [ 0.259266825000000, 0.132689990000000, 0.764413470000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 46 coordinates: [ 0.759266825000000, 0.132689990000000, 0.764413470000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 47 coordinates: [ 0.259266825000000, 0.632689990000000, 0.764413470000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 48 coordinates: [ 0.759266825000000, 0.632689990000000, 0.764413470000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 49 coordinates: [ 0.130412810000000, 0.007210990000000, 0.998001730000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 50 coordinates: [ 0.630412810000000, 0.007210990000000, 0.998001730000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 51 coordinates: [ 0.130412810000000, 0.507210990000000, 0.998001730000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 52 coordinates: [ 0.630412810000000, 0.507210990000000, 0.998001730000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 53 coordinates: [ 0.492789010000000, 0.130412810000000, 0.748001730000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 54 coordinates: [ 0.992789010000000, 0.130412810000000, 0.748001730000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 55 coordinates: [ 0.492789010000000, 0.630412810000000, 0.748001730000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 56 coordinates: [ 0.992789010000000, 0.630412810000000, 0.748001730000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 57 coordinates: [ 0.369587190000000, 0.007210990000000, 0.001998270000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 58 coordinates: [ 0.869587190000000, 0.007210990000000, 0.001998270000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 59 coordinates: [ 0.369587190000000, 0.507210990000000, 0.001998270000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 60 coordinates: [ 0.869587190000000, 0.507210990000000, 0.001998270000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 61 coordinates: [ 0.130412810000000, 0.492789010000000, 0.501998270000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 62 coordinates: [ 0.630412810000000, 0.492789010000000, 0.501998270000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 63 coordinates: [ 0.130412810000000, 0.992789010000000, 0.501998270000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 64 coordinates: [ 0.630412810000000, 0.992789010000000, 0.501998270000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 65 coordinates: [ 0.492789010000000, 0.369587190000000, 0.751998270000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 66 coordinates: [ 0.992789010000000, 0.369587190000000, 0.751998270000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 67 coordinates: [ 0.492789010000000, 0.869587190000000, 0.751998270000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 68 coordinates: [ 0.992789010000000, 0.869587190000000, 0.751998270000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 69 coordinates: [ 0.369587190000000, 0.492789010000000, 0.498001730000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 70 coordinates: [ 0.869587190000000, 0.492789010000000, 0.498001730000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 71 coordinates: [ 0.369587190000000, 0.992789010000000, 0.498001730000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 72 coordinates: [ 0.869587190000000, 0.992789010000000, 0.498001730000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 73 coordinates: [ 0.007210990000000, 0.130412810000000, 0.251998270000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 74 coordinates: [ 0.507210990000000, 0.130412810000000, 0.251998270000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 75 coordinates: [ 0.007210990000000, 0.630412810000000, 0.251998270000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 76 coordinates: [ 0.507210990000000, 0.630412810000000, 0.251998270000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 77 coordinates: [ 0.132689990000000, 0.240733175000000, 0.014413470000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 78 coordinates: [ 0.632689990000000, 0.240733175000000, 0.014413470000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 79 coordinates: [ 0.132689990000000, 0.740733175000000, 0.014413470000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 80 coordinates: [ 0.632689990000000, 0.740733175000000, 0.014413470000000 ] mass: 15.999400 reduced_to: 77 - symbol: Zn # 81 coordinates: [ 0.129413685000000, 0.129413685000000, 0.625000000000000 ] mass: 65.380000 reduced_to: 81 - symbol: Zn # 82 coordinates: [ 0.629413685000000, 0.129413685000000, 0.625000000000000 ] mass: 65.380000 reduced_to: 81 - symbol: Zn # 83 coordinates: [ 0.129413685000000, 0.629413685000000, 0.625000000000000 ] mass: 65.380000 reduced_to: 81 - symbol: Zn # 84 coordinates: [ 0.629413685000000, 0.629413685000000, 0.625000000000000 ] mass: 65.380000 reduced_to: 81 - symbol: Zn # 85 coordinates: [ 0.129413685000000, 0.370586315000000, 0.875000000000000 ] mass: 65.380000 reduced_to: 85 - symbol: Zn # 86 coordinates: [ 0.629413685000000, 0.370586315000000, 0.875000000000000 ] mass: 65.380000 reduced_to: 85 - symbol: Zn # 87 coordinates: [ 0.129413685000000, 0.870586315000000, 0.875000000000000 ] mass: 65.380000 reduced_to: 85 - symbol: Zn # 88 coordinates: [ 0.629413685000000, 0.870586315000000, 0.875000000000000 ] mass: 65.380000 reduced_to: 85 - symbol: Zn # 89 coordinates: [ 0.370586315000000, 0.370586315000000, 0.125000000000000 ] mass: 65.380000 reduced_to: 89 - symbol: Zn # 90 coordinates: [ 0.870586315000000, 0.370586315000000, 0.125000000000000 ] mass: 65.380000 reduced_to: 89 - symbol: Zn # 91 coordinates: [ 0.370586315000000, 0.870586315000000, 0.125000000000000 ] mass: 65.380000 reduced_to: 89 - symbol: Zn # 92 coordinates: [ 0.870586315000000, 0.870586315000000, 0.125000000000000 ] mass: 65.380000 reduced_to: 89 - symbol: Zn # 93 coordinates: [ 0.370586315000000, 0.129413685000000, 0.375000000000000 ] mass: 65.380000 reduced_to: 93 - symbol: Zn # 94 coordinates: [ 0.870586315000000, 0.129413685000000, 0.375000000000000 ] mass: 65.380000 reduced_to: 93 - symbol: Zn # 95 coordinates: [ 0.370586315000000, 0.629413685000000, 0.375000000000000 ] mass: 65.380000 reduced_to: 93 - symbol: Zn # 96 coordinates: [ 0.870586315000000, 0.629413685000000, 0.375000000000000 ] mass: 65.380000 reduced_to: 93 - symbol: Nb # 97 coordinates: [ 0.393685915000000, 0.250000000000000, 0.750000000000000 ] mass: 92.906380 reduced_to: 97 - symbol: Nb # 98 coordinates: [ 0.893685915000000, 0.250000000000000, 0.750000000000000 ] mass: 92.906380 reduced_to: 97 - symbol: Nb # 99 coordinates: [ 0.393685915000000, 0.750000000000000, 0.750000000000000 ] mass: 92.906380 reduced_to: 97 - symbol: Nb # 100 coordinates: [ 0.893685915000000, 0.750000000000000, 0.750000000000000 ] mass: 92.906380 reduced_to: 97 - symbol: Nb # 101 coordinates: [ 0.106314085000000, 0.250000000000000, 0.250000000000000 ] mass: 92.906380 reduced_to: 101 - symbol: Nb # 102 coordinates: [ 0.606314085000000, 0.250000000000000, 0.250000000000000 ] mass: 92.906380 reduced_to: 101 - symbol: Nb # 103 coordinates: [ 0.106314085000000, 0.750000000000000, 0.250000000000000 ] mass: 92.906380 reduced_to: 101 - symbol: Nb # 104 coordinates: [ 0.606314085000000, 0.750000000000000, 0.250000000000000 ] mass: 92.906380 reduced_to: 101 - symbol: Nb # 105 coordinates: [ 0.250000000000000, 0.393685915000000, 0.500000000000000 ] mass: 92.906380 reduced_to: 105 - symbol: Nb # 106 coordinates: [ 0.750000000000000, 0.393685915000000, 0.500000000000000 ] mass: 92.906380 reduced_to: 105 - symbol: Nb # 107 coordinates: [ 0.250000000000000, 0.893685915000000, 0.500000000000000 ] mass: 92.906380 reduced_to: 105 - symbol: Nb # 108 coordinates: [ 0.750000000000000, 0.893685915000000, 0.500000000000000 ] mass: 92.906380 reduced_to: 105 - symbol: Nb # 109 coordinates: [ 0.250000000000000, 0.106314085000000, 0.000000000000000 ] mass: 92.906380 reduced_to: 109 - symbol: Nb # 110 coordinates: [ 0.750000000000000, 0.106314085000000, 0.000000000000000 ] mass: 92.906380 reduced_to: 109 - symbol: Nb # 111 coordinates: [ 0.250000000000000, 0.606314085000000, 0.000000000000000 ] mass: 92.906380 reduced_to: 109 - symbol: Nb # 112 coordinates: [ 0.750000000000000, 0.606314085000000, 0.000000000000000 ] mass: 92.906380 reduced_to: 109born_effective_charge:- # 1 (Li) - [ 0.790882750000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 1.401819880000000, -0.334674680000000 ] - [ 0.000000000000000, -0.208452140000000, 1.012696250000000 ]- # 2 (Li) - [ 1.401819880000000, 0.000000000000000, 0.334674680000000 ] - [ 0.000000000000000, 0.790882750000000, 0.000000000000000 ] - [ 0.208452140000000, 0.000000000000000, 1.012696250000000 ]- # 3 (Li) - [ 1.401819880000000, 0.000000000000000, -0.334674680000000 ] - [ 0.000000000000000, 0.790882750000000, 0.000000000000000 ] - [ -0.208452140000000, 0.000000000000000, 1.012696250000000 ]- # 4 (Li) - [ 0.790882750000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 1.401819880000000, 0.334674680000000 ] - [ 0.000000000000000, 0.208452140000000, 1.012696250000000 ]- # 5 (O) - [ -1.833110330000000, -0.633998050000000, -0.467614710000000 ] - [ -0.645083430000000, -2.098194250000000, -0.022085290000000 ] - [ -0.602871780000000, 0.001648960000000, -3.380907830000000 ]- # 6 (O) - [ -2.098194250000000, 0.645083430000000, -0.022085290000000 ] - [ 0.633998050000000, -1.833110330000000, 0.467614710000000 ] - [ 0.001648960000000, 0.602871780000000, -3.380907830000000 ]- # 7 (O) - [ -2.098194250000000, 0.645083430000000, 0.022085290000000 ] - [ 0.633998050000000, -1.833110330000000, -0.467614710000000 ] - [ -0.001648960000000, -0.602871780000000, -3.380907830000000 ]- # 8 (O) - [ -1.833110330000000, 0.633998050000000, -0.467614710000000 ] - [ 0.645083430000000, -2.098194250000000, 0.022085290000000 ] - [ -0.602871780000000, -0.001648960000000, -3.380907830000000 ]- # 9 (O) - [ -1.833110330000000, -0.633998050000000, 0.467614710000000 ] - [ -0.645083430000000, -2.098194250000000, 0.022085290000000 ] - [ 0.602871780000000, -0.001648960000000, -3.380907830000000 ]- # 10 (O) - [ -2.750030300000000, 1.167005100000000, -0.325797220000000 ] - [ 0.953353020000000, -2.291694280000000, 0.155915200000000 ] - [ -0.355595750000000, 0.006122460000000, -1.402126040000000 ]- # 11 (O) - [ -2.098194250000000, -0.645083430000000, -0.022085290000000 ] - [ -0.633998050000000, -1.833110330000000, -0.467614710000000 ] - [ 0.001648960000000, -0.602871780000000, -3.380907830000000 ]- # 12 (O) - [ -2.098194250000000, -0.645083430000000, 0.022085290000000 ] - [ -0.633998050000000, -1.833110330000000, 0.467614710000000 ] - [ -0.001648960000000, 0.602871780000000, -3.380907830000000 ]- # 13 (O) - [ -2.291694280000000, -0.953353020000000, -0.155915200000000 ] - [ -1.167005100000000, -2.750030300000000, -0.325797220000000 ] - [ -0.006122460000000, -0.355595750000000, -1.402126040000000 ]- # 14 (O) - [ -2.750030300000000, 1.167005100000000, 0.325797220000000 ] - [ 0.953353020000000, -2.291694280000000, -0.155915200000000 ] - [ 0.355595750000000, -0.006122460000000, -1.402126040000000 ]- # 15 (O) - [ -2.291694280000000, 0.953353020000000, -0.155915200000000 ] - [ 1.167005100000000, -2.750030300000000, 0.325797220000000 ] - [ -0.006122460000000, 0.355595750000000, -1.402126040000000 ]- # 16 (O) - [ -2.291694280000000, 0.953353020000000, 0.155915200000000 ] - [ 1.167005100000000, -2.750030300000000, -0.325797220000000 ] - [ 0.006122460000000, -0.355595750000000, -1.402126040000000 ]- # 17 (O) - [ -2.750030300000000, -1.167005100000000, -0.325797220000000 ] - [ -0.953353020000000, -2.291694280000000, -0.155915200000000 ] - [ -0.355595750000000, -0.006122460000000, -1.402126040000000 ]- # 18 (O) - [ -2.291694280000000, -0.953353020000000, 0.155915200000000 ] - [ -1.167005100000000, -2.750030300000000, 0.325797220000000 ] - [ 0.006122460000000, 0.355595750000000, -1.402126040000000 ]- # 19 (O) - [ -2.750030300000000, -1.167005100000000, 0.325797220000000 ] - [ -0.953353020000000, -2.291694280000000, 0.155915200000000 ] - [ 0.355595750000000, 0.006122460000000, -1.402126040000000 ]- # 20 (O) - [ -1.833110330000000, 0.633998050000000, 0.467614710000000 ] - [ 0.645083430000000, -2.098194250000000, -0.022085290000000 ] - [ 0.602871780000000, 0.001648960000000, -3.380907830000000 ]- # 21 (Zn) - [ 2.462722110000000, -0.262812760000000, -0.367736660000000 ] - [ -0.262812760000000, 2.462722110000000, 0.367736660000000 ] - [ 0.234403850000000, -0.234403850000000, 2.494432200000000 ]- # 22 (Zn) - [ 2.462722110000000, 0.262812760000000, 0.367736660000000 ] - [ 0.262812760000000, 2.462722110000000, 0.367736660000000 ] - [ -0.234403850000000, -0.234403850000000, 2.494432200000000 ]- # 23 (Zn) - [ 2.462722110000000, -0.262812760000000, 0.367736660000000 ] - [ -0.262812760000000, 2.462722110000000, -0.367736660000000 ] - [ -0.234403850000000, 0.234403850000000, 2.494432200000000 ]- # 24 (Zn) - [ 2.462722110000000, 0.262812760000000, -0.367736660000000 ] - [ 0.262812760000000, 2.462722110000000, -0.367736660000000 ] - [ 0.234403850000000, 0.234403850000000, 2.494432200000000 ]- # 25 (Nb) - [ 5.510006010000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 5.317905490000000, -0.650493090000000 ] - [ 0.000000000000000, -1.011971410000000, 6.058939310000000 ]- # 26 (Nb) - [ 5.510006010000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 5.317905490000000, 0.650493090000000 ] - [ 0.000000000000000, 1.011971410000000, 6.058939310000000 ]- # 27 (Nb) - [ 5.317905490000000, 0.000000000000000, 0.650493090000000 ] - [ 0.000000000000000, 5.510006010000000, 0.000000000000000 ] - [ 1.011971410000000, 0.000000000000000, 6.058939310000000 ]- # 28 (Nb) - [ 5.317905490000000, 0.000000000000000, -0.650493090000000 ] - [ 0.000000000000000, 5.510006010000000, 0.000000000000000 ] - [ -1.011971410000000, 0.000000000000000, 6.058939310000000 ]dielectric_constant: - [ 4.644704300000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 4.644704300000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 4.899100380000000 ]displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0235149000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0002941500000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0003596100000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000308800000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0000514200000000, -0.0016405200000000, 0.0030782900000000 ] - [ 0.0005518700000000, 0.0000383200000000, 0.0000127300000000 ] - [ -0.0001270700000000, 0.0000376300000000, 0.0001420300000000 ] - [ 0.0001586300000000, -0.0001505100000000, 0.0000812100000000 ] - [ -0.0001270700000000, -0.0000376300000000, -0.0001420300000000 ] - [ 0.0001586300000000, 0.0001505100000000, -0.0000812100000000 ] - [ -0.0000514200000000, 0.0016405200000000, -0.0030782900000000 ] - [ 0.0005518700000000, -0.0000383200000000, -0.0000127300000000 ] - [ 0.0003372400000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0001737800000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000422600000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000468200000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0011187700000000, 0.0001535100000000, 0.0016972500000000 ] - [ -0.0003397500000000, 0.0003880900000000, 0.0005239000000000 ] - [ 0.0019269000000000, 0.0016272500000000, 0.0016799800000000 ] - [ -0.0005924200000000, 0.0000330100000000, 0.0004536800000000 ] - [ 0.0007423500000000, -0.0003011400000000, 0.0007187600000000 ] - [ 0.0002633800000000, 0.0001144600000000, 0.0006499100000000 ] - [ 0.0001956500000000, 0.0008979500000000, -0.0004744000000000 ] - [ 0.0002720100000000, -0.0002415600000000, 0.0009432900000000 ] - [ -0.0000116100000000, -0.0070488700000000, 0.0027345100000000 ] - [ -0.0013051000000000, 0.0003964900000000, 0.0005337200000000 ] - [ 0.0009701100000000, -0.0001622500000000, 0.0004611900000000 ] - [ -0.0008076800000000, 0.0000413700000000, 0.0005481200000000 ] - [ 0.0000869400000000, -0.0003864400000000, -0.0008740400000000 ] - [ -0.0002671400000000, 0.0009017600000000, -0.0000243300000000 ] - [ -0.0004538300000000, 0.0012947900000000, -0.0010921200000000 ] - [ -0.0001089400000000, 0.0001380000000000, -0.0001474100000000 ] - [ -0.0004538300000000, -0.0012947900000000, 0.0010921200000000 ] - [ -0.0001089400000000, -0.0001380000000000, 0.0001474100000000 ] - [ 0.0000869400000000, 0.0003864400000000, 0.0008740400000000 ] - [ -0.0002671400000000, -0.0009017600000000, 0.0000243300000000 ] - [ -0.0005688000000000, 0.0007938000000000, 0.0002312800000000 ] - [ -0.0009765300000000, 0.0002085100000000, 0.0002435000000000 ] - [ 0.0095939900000000, -0.0015891800000000, -0.0000898000000000 ] - [ -0.0020310100000000, 0.0007527800000000, 0.0001566900000000 ] - [ 0.0009701100000000, 0.0001622500000000, -0.0004611900000000 ] - [ -0.0008076800000000, -0.0000413700000000, -0.0005481200000000 ] - [ -0.0000116100000000, 0.0070488700000000, -0.0027345100000000 ] - [ -0.0013051000000000, -0.0003964900000000, -0.0005337200000000 ] - [ 0.0001956500000000, -0.0008979500000000, 0.0004744000000000 ] - [ 0.0002720100000000, 0.0002415600000000, -0.0009432900000000 ] - [ 0.0007423500000000, 0.0003011400000000, -0.0007187600000000 ] - [ 0.0002633800000000, -0.0001144600000000, -0.0006499100000000 ] - [ 0.0047907400000000, -0.0001985200000000, 0.0010931200000000 ] - [ -0.0009851700000000, -0.0010067400000000, 0.0002266100000000 ] - [ 0.0002489400000000, -0.0005019600000000, 0.0002084300000000 ] - [ -0.0004489000000000, -0.0008177900000000, 0.0002203500000000 ] - [ 0.0000897700000000, -0.0001925500000000, 0.0003671500000000 ] - [ 0.0015682900000000, -0.0005771300000000, 0.0001664400000000 ] - [ 0.0002049300000000, 0.0002936100000000, 0.0003229800000000 ] - [ 0.0009850600000000, -0.0003053900000000, 0.0002186600000000 ] - [ -0.0004957300000000, -0.0009291000000000, 0.0006436100000000 ] - [ -0.0017922900000000, 0.0001868000000000, -0.0013710700000000 ] - [ 0.0003027900000000, -0.0007466300000000, -0.0004111700000000 ] - [ 0.0000088900000000, -0.0006013900000000, -0.0003442000000000 ] - [ 0.0002489400000000, 0.0005019600000000, -0.0002084300000000 ] - [ -0.0004489000000000, 0.0008177900000000, -0.0002203500000000 ] - [ 0.0047907400000000, 0.0001985200000000, -0.0010931200000000 ] - [ -0.0009851700000000, 0.0010067400000000, -0.0002266100000000 ] - [ 0.0002049300000000, -0.0002936100000000, -0.0003229800000000 ] - [ 0.0009850600000000, 0.0003053900000000, -0.0002186600000000 ] - [ 0.0000897700000000, 0.0001925500000000, -0.0003671500000000 ] - [ 0.0015682900000000, 0.0005771300000000, -0.0001664400000000 ] - [ 0.0003027900000000, 0.0007466300000000, 0.0004111700000000 ] - [ 0.0000088900000000, 0.0006013900000000, 0.0003442000000000 ] - [ -0.0004957300000000, 0.0009291000000000, -0.0006436100000000 ] - [ -0.0017922900000000, -0.0001868000000000, 0.0013710700000000 ] - [ 0.0095939900000000, 0.0015891800000000, 0.0000898000000000 ] - [ -0.0020310100000000, -0.0007527800000000, -0.0001566900000000 ] - [ -0.0005688000000000, -0.0007938000000000, -0.0002312800000000 ] - [ -0.0009765300000000, -0.0002085100000000, -0.0002435000000000 ] - [ 0.0019269000000000, -0.0016272500000000, -0.0016799800000000 ] - [ -0.0005924200000000, -0.0000330100000000, -0.0004536800000000 ] - [ 0.0011187700000000, -0.0001535100000000, -0.0016972500000000 ] - [ -0.0003397500000000, -0.0003880900000000, -0.0005239000000000 ] - [ -0.0010664700000000, 0.0014423900000000, 0.0000524400000000 ] - [ 0.0007974700000000, 0.0000019200000000, -0.0001070300000000 ] - [ -0.0001359600000000, 0.0001062800000000, -0.0000376100000000 ] - [ 0.0005336700000000, 0.0001557000000000, -0.0001299700000000 ] - [ -0.0001359600000000, -0.0001062800000000, 0.0000376100000000 ] - [ 0.0005336700000000, -0.0001557000000000, 0.0001299700000000 ] - [ -0.0010664700000000, -0.0014423900000000, -0.0000524400000000 ] - [ 0.0007974700000000, -0.0000019200000000, 0.0001070300000000 ] - [ -0.0000586300000000, 0.0004238900000000, 0.0002183700000000 ] - [ 0.0001768700000000, -0.0004398100000000, 0.0001751700000000 ] - [ 0.0025462600000000, -0.0013421200000000, -0.0011990900000000 ] - [ 0.0027281100000000, 0.0016134300000000, 0.0013081700000000 ] - [ 0.0025462600000000, 0.0013421200000000, 0.0011990900000000 ] - [ 0.0027281100000000, -0.0016134300000000, -0.0013081700000000 ] - [ -0.0000586300000000, -0.0004238900000000, -0.0002183700000000 ] - [ 0.0001768700000000, 0.0004398100000000, -0.0001751700000000 ] - [ -0.0007894500000000, 0.0011159100000000, -0.0002069600000000 ] - [ -0.0021823000000000, -0.0001298300000000, -0.0000411700000000 ] - [ -0.0007894500000000, -0.0011159100000000, 0.0002069600000000 ] - [ -0.0021823000000000, 0.0001298300000000, 0.0000411700000000 ] - [ -0.0107901600000000, -0.0032327400000000, 0.0005325400000000 ] - [ 0.0031497500000000, 0.0002295300000000, -0.0001480400000000 ] - [ -0.0107901600000000, 0.0032327400000000, -0.0005325400000000 ] - [ 0.0031497500000000, -0.0002295300000000, 0.0001480400000000 ] - [ -0.0010438300000000, -0.0010472100000000, -0.0003759900000000 ] - [ 0.0007325700000000, -0.0017679500000000, -0.0000376700000000 ] - [ 0.0019611400000000, -0.0072159500000000, 0.0115037000000000 ] - [ 0.0023728300000000, -0.0003045200000000, -0.0005017400000000 ] - [ 0.0019611400000000, 0.0072159500000000, -0.0115037000000000 ] - [ 0.0023728300000000, 0.0003045200000000, 0.0005017400000000 ] - [ -0.0010438300000000, 0.0010472100000000, 0.0003759900000000 ] - [ 0.0007325700000000, 0.0017679500000000, 0.0000376700000000 ]- atom: 1 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0235916800000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0004318300000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0002244600000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0001668400000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000671700000000, 0.0015179000000000, -0.0030920100000000 ] - [ -0.0005535000000000, -0.0001732600000000, -0.0000131400000000 ] - [ 0.0001282300000000, -0.0001739700000000, -0.0001403300000000 ] - [ -0.0001599900000000, 0.0000155300000000, -0.0000815900000000 ] - [ 0.0001282300000000, 0.0001739700000000, 0.0001403300000000 ] - [ -0.0001599900000000, -0.0000155300000000, 0.0000815900000000 ] - [ 0.0000671700000000, -0.0015179000000000, 0.0030920100000000 ] - [ -0.0005535000000000, 0.0001732600000000, 0.0000131400000000 ] - [ -0.0002050400000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0003113700000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000873500000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000893700000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0011506100000000, 0.0006877200000000, -0.0005298900000000 ] - [ 0.0003079800000000, 0.0004472700000000, 0.0006470300000000 ] - [ -0.0019585400000000, -0.0007914300000000, -0.0005143200000000 ] - [ 0.0005645200000000, 0.0008091200000000, 0.0007169400000000 ] - [ 0.0000963200000000, 0.0003352300000000, 0.0004536200000000 ] - [ 0.0005750900000000, -0.0000834300000000, 0.0005215600000000 ] - [ 0.0006470900000000, -0.0008735300000000, 0.0016493400000000 ] - [ 0.0005644800000000, 0.0002776900000000, 0.0002240600000000 ] - [ -0.0007186700000000, 0.0070412900000000, -0.0015650100000000 ] - [ 0.0004691200000000, -0.0004322900000000, 0.0006357700000000 ] - [ -0.0018140000000000, 0.0001327000000000, 0.0007100300000000 ] - [ -0.0000295700000000, -0.0000730800000000, 0.0006261400000000 ] - [ -0.0000537600000000, 0.0012269900000000, -0.0002951200000000 ] - [ 0.0002973100000000, -0.0000641400000000, -0.0011449100000000 ] - [ 0.0004885800000000, -0.0004588500000000, -0.0000741200000000 ] - [ 0.0001389100000000, 0.0007022300000000, -0.0010259300000000 ] - [ 0.0004885800000000, 0.0004588500000000, 0.0000741200000000 ] - [ 0.0001389100000000, -0.0007022300000000, 0.0010259300000000 ] - [ -0.0000537600000000, -0.0012269900000000, 0.0002951200000000 ] - [ 0.0002973100000000, 0.0000641400000000, 0.0011449100000000 ] - [ -0.0007933300000000, -0.0004898600000000, 0.0003293500000000 ] - [ -0.0003744500000000, 0.0000821200000000, 0.0003225600000000 ] - [ -0.0111764300000000, 0.0015430700000000, 0.0006529100000000 ] - [ 0.0006787400000000, -0.0004584400000000, 0.0004089100000000 ] - [ -0.0018140000000000, -0.0001327000000000, -0.0007100300000000 ] - [ -0.0000295700000000, 0.0000730800000000, -0.0006261400000000 ] - [ -0.0007186700000000, -0.0070412900000000, 0.0015650100000000 ] - [ 0.0004691200000000, 0.0004322900000000, -0.0006357700000000 ] - [ 0.0006470900000000, 0.0008735300000000, -0.0016493400000000 ] - [ 0.0005644800000000, -0.0002776900000000, -0.0002240600000000 ] - [ 0.0000963200000000, -0.0003352300000000, -0.0004536200000000 ] - [ 0.0005750900000000, 0.0000834300000000, -0.0005215600000000 ] - [ -0.0050452000000000, -0.0011409900000000, -0.0005122500000000 ] - [ 0.0006962400000000, -0.0003494900000000, 0.0003373100000000 ] - [ -0.0005440100000000, -0.0008563800000000, 0.0003540000000000 ] - [ 0.0001570700000000, -0.0005385000000000, 0.0003442600000000 ] - [ 0.0012708300000000, -0.0001036800000000, 0.0001963700000000 ] - [ -0.0002155000000000, 0.0002848900000000, 0.0003978600000000 ] - [ 0.0011538000000000, -0.0005893100000000, 0.0002406300000000 ] - [ 0.0003710100000000, 0.0000116400000000, 0.0003441800000000 ] - [ 0.0007963800000000, -0.0004341400000000, -0.0011996700000000 ] - [ 0.0021043100000000, -0.0015491600000000, 0.0008190100000000 ] - [ -0.0000089800000000, -0.0006073400000000, -0.0001546300000000 ] - [ 0.0002849500000000, -0.0007577400000000, -0.0002178000000000 ] - [ -0.0005440100000000, 0.0008563800000000, -0.0003540000000000 ] - [ 0.0001570700000000, 0.0005385000000000, -0.0003442600000000 ] - [ -0.0050452000000000, 0.0011409900000000, 0.0005122500000000 ] - [ 0.0006962400000000, 0.0003494900000000, -0.0003373100000000 ] - [ 0.0011538000000000, 0.0005893100000000, -0.0002406300000000 ] - [ 0.0003710100000000, -0.0000116400000000, -0.0003441800000000 ] - [ 0.0012708300000000, 0.0001036800000000, -0.0001963700000000 ] - [ -0.0002155000000000, -0.0002848900000000, -0.0003978600000000 ] - [ -0.0000089800000000, 0.0006073400000000, 0.0001546300000000 ] - [ 0.0002849500000000, 0.0007577400000000, 0.0002178000000000 ] - [ 0.0007963800000000, 0.0004341400000000, 0.0011996700000000 ] - [ 0.0021043100000000, 0.0015491600000000, -0.0008190100000000 ] - [ -0.0111764300000000, -0.0015430700000000, -0.0006529100000000 ] - [ 0.0006787400000000, 0.0004584400000000, -0.0004089100000000 ] - [ -0.0007933300000000, 0.0004898600000000, -0.0003293500000000 ] - [ -0.0003744500000000, -0.0000821200000000, -0.0003225600000000 ] - [ -0.0019585400000000, 0.0007914300000000, 0.0005143200000000 ] - [ 0.0005645200000000, -0.0008091200000000, -0.0007169400000000 ] - [ -0.0011506100000000, -0.0006877200000000, 0.0005298900000000 ] - [ 0.0003079800000000, -0.0004472700000000, -0.0006470300000000 ] - [ 0.0013806200000000, -0.0011422000000000, -0.0000602300000000 ] - [ -0.0004895000000000, 0.0003103000000000, 0.0001076900000000 ] - [ 0.0004481500000000, 0.0002043500000000, 0.0000366900000000 ] - [ -0.0002241500000000, 0.0001531600000000, 0.0001314100000000 ] - [ 0.0004481500000000, -0.0002043500000000, -0.0000366900000000 ] - [ -0.0002241500000000, -0.0001531600000000, -0.0001314100000000 ] - [ 0.0013806200000000, 0.0011422000000000, 0.0000602300000000 ] - [ -0.0004895000000000, -0.0003103000000000, -0.0001076900000000 ] - [ -0.0002536600000000, -0.0007370600000000, -0.0002200100000000 ] - [ -0.0004841200000000, 0.0001278900000000, -0.0001725300000000 ] - [ -0.0028445900000000, 0.0010163300000000, 0.0011932900000000 ] - [ -0.0030556200000000, -0.0019579300000000, -0.0013169300000000 ] - [ -0.0028445900000000, -0.0010163300000000, -0.0011932900000000 ] - [ -0.0030556200000000, 0.0019579300000000, 0.0013169300000000 ] - [ -0.0002536600000000, 0.0007370600000000, 0.0002200100000000 ] - [ -0.0004841200000000, -0.0001278900000000, 0.0001725300000000 ] - [ -0.0023167300000000, -0.0011193000000000, 0.0002102200000000 ] - [ -0.0009111900000000, 0.0001321000000000, 0.0000381600000000 ] - [ -0.0023167300000000, 0.0011193000000000, -0.0002102200000000 ] - [ -0.0009111900000000, -0.0001321000000000, -0.0000381600000000 ] - [ 0.0138757000000000, 0.0031689500000000, -0.0005250900000000 ] - [ -0.0000564600000000, -0.0002244800000000, 0.0001487600000000 ] - [ 0.0138757000000000, -0.0031689500000000, 0.0005250900000000 ] - [ -0.0000564600000000, 0.0002244800000000, -0.0001487600000000 ] - [ 0.0010433700000000, -0.0020535100000000, 0.0003750400000000 ] - [ -0.0007336000000000, -0.0013293800000000, 0.0000398200000000 ] - [ -0.0019990800000000, 0.0040849300000000, -0.0114098100000000 ] - [ -0.0023909900000000, -0.0028105200000000, 0.0005056100000000 ] - [ -0.0019990800000000, -0.0040849300000000, 0.0114098100000000 ] - [ -0.0023909900000000, 0.0028105200000000, -0.0005056100000000 ] - [ 0.0010433700000000, 0.0020535100000000, -0.0003750400000000 ] - [ -0.0007336000000000, 0.0013293800000000, -0.0000398200000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0003846100000000, -0.0452280600000000, 0.0087311500000000 ] - [ -0.0000665200000000, -0.0004915400000000, 0.0001443600000000 ] - [ -0.0000649700000000, 0.0013381100000000, -0.0001875000000000 ] - [ -0.0000658300000000, 0.0003665700000000, -0.0001111900000000 ] - [ -0.0016849900000000, -0.0001338600000000, -0.0028933600000000 ] - [ 0.0002249700000000, -0.0001954500000000, -0.0000546100000000 ] - [ 0.0002250500000000, 0.0004860200000000, 0.0003711500000000 ] - [ -0.0001155700000000, 0.0000928000000000, -0.0000145800000000 ] - [ -0.0002259800000000, 0.0006189900000000, 0.0003706400000000 ] - [ 0.0001146300000000, 0.0002245200000000, -0.0000146600000000 ] - [ 0.0016801200000000, 0.0000155000000000, -0.0028857400000000 ] - [ -0.0002256200000000, -0.0000613900000000, -0.0000540000000000 ] - [ 0.0000650900000000, -0.0005114500000000, -0.0004029100000000 ] - [ 0.0000683300000000, -0.0004406600000000, -0.0000908200000000 ] - [ 0.0000646100000000, 0.0004562500000000, 0.0002124600000000 ] - [ 0.0000660600000000, 0.0004226000000000, 0.0000840800000000 ] - [ -0.0010878600000000, -0.0010709500000000, -0.0017058600000000 ] - [ -0.0000750600000000, 0.0003146600000000, 0.0004671800000000 ] - [ 0.0007085700000000, -0.0002683300000000, 0.0031751500000000 ] - [ 0.0000445400000000, 0.0004679700000000, 0.0007385800000000 ] - [ 0.0001543900000000, -0.0004526000000000, 0.0004462300000000 ] - [ 0.0007177000000000, -0.0003798100000000, 0.0005614000000000 ] - [ 0.0006699900000000, 0.0001283000000000, 0.0020757800000000 ] - [ 0.0001723700000000, 0.0003789100000000, 0.0005969800000000 ] - [ -0.0072786500000000, -0.0011652700000000, 0.0043137000000000 ] - [ 0.0004043700000000, 0.0002508000000000, 0.0011220600000000 ] - [ 0.0010312000000000, -0.0020584400000000, -0.0001923600000000 ] - [ -0.0006857700000000, -0.0003260900000000, 0.0003765700000000 ] - [ -0.0003358700000000, -0.0000242300000000, -0.0011674500000000 ] - [ 0.0008501600000000, -0.0002820500000000, -0.0014906800000000 ] - [ 0.0007879300000000, -0.0000658500000000, 0.0004472100000000 ] - [ -0.0007388300000000, 0.0005177800000000, 0.0000046000000000 ] - [ -0.0007479300000000, -0.0008975500000000, 0.0016279700000000 ] - [ 0.0007762500000000, -0.0003171200000000, 0.0011853500000000 ] - [ 0.0003708700000000, -0.0008602400000000, 0.0000154900000000 ] - [ -0.0008111600000000, -0.0011174300000000, -0.0003090400000000 ] - [ 0.0010146400000000, -0.0032569000000000, 0.0004717300000000 ] - [ -0.0007266600000000, -0.0002077300000000, 0.0003659400000000 ] - [ 0.0045118500000000, 0.0042629200000000, -0.0005471500000000 ] - [ 0.0001217300000000, 0.0002159200000000, 0.0001601600000000 ] - [ -0.0018687500000000, -0.0020123300000000, -0.0013679100000000 ] - [ -0.0001507200000000, -0.0002878100000000, -0.0008041400000000 ] - [ 0.0064126100000000, -0.0012326400000000, 0.0031145100000000 ] - [ -0.0012389700000000, 0.0002881600000000, -0.0000593200000000 ] - [ 0.0001695000000000, 0.0000970500000000, 0.0008904500000000 ] - [ 0.0006646600000000, 0.0003416700000000, -0.0005816400000000 ] - [ 0.0006801200000000, -0.0004902600000000, -0.0007336400000000 ] - [ 0.0001202400000000, -0.0004178600000000, -0.0006159800000000 ] - [ 0.0012457600000000, 0.0058054100000000, 0.0012860900000000 ] - [ 0.0001204600000000, -0.0000134400000000, 0.0003836600000000 ] - [ -0.0007635400000000, -0.0024346600000000, 0.0000727100000000 ] - [ -0.0004505200000000, -0.0013167600000000, 0.0001835300000000 ] - [ 0.0002524900000000, 0.0003754500000000, 0.0004575900000000 ] - [ 0.0008034100000000, 0.0002715300000000, 0.0005397900000000 ] - [ 0.0010725400000000, -0.0006964300000000, 0.0001848500000000 ] - [ 0.0004706400000000, -0.0005369800000000, 0.0002583400000000 ] - [ -0.0012225900000000, 0.0014818600000000, -0.0002995500000000 ] - [ -0.0001522700000000, 0.0009673300000000, -0.0005580700000000 ] - [ 0.0009677300000000, -0.0019613600000000, -0.0001953500000000 ] - [ 0.0004308900000000, -0.0016912300000000, -0.0001298900000000 ] - [ 0.0004725800000000, -0.0010776600000000, -0.0004861900000000 ] - [ 0.0001594700000000, 0.0000377600000000, -0.0003774500000000 ] - [ -0.0015114300000000, 0.0071352600000000, 0.0007039300000000 ] - [ -0.0004102900000000, 0.0013423500000000, -0.0001767600000000 ] - [ 0.0002828700000000, -0.0004037300000000, -0.0003765400000000 ] - [ 0.0008876400000000, -0.0002469000000000, -0.0003017200000000 ] - [ 0.0011033200000000, 0.0006644500000000, -0.0001016000000000 ] - [ 0.0005501700000000, 0.0005573300000000, -0.0000192000000000 ] - [ -0.0006789900000000, -0.0006063000000000, 0.0003650200000000 ] - [ -0.0001397700000000, -0.0003326800000000, 0.0004289300000000 ] - [ 0.0015168500000000, 0.0028413300000000, 0.0002569400000000 ] - [ 0.0004353200000000, 0.0023247200000000, 0.0000010700000000 ] - [ -0.0062654300000000, 0.0045098500000000, -0.0010997000000000 ] - [ -0.0014828000000000, -0.0000738800000000, -0.0003989200000000 ] - [ -0.0023751700000000, -0.0035566600000000, -0.0000863900000000 ] - [ -0.0006297500000000, -0.0004973000000000, -0.0001944600000000 ] - [ -0.0007522800000000, -0.0011059400000000, 0.0020029800000000 ] - [ -0.0000829000000000, -0.0003696900000000, -0.0004384900000000 ] - [ 0.0010469700000000, -0.0018993400000000, -0.0028795400000000 ] - [ 0.0000363600000000, -0.0005229300000000, -0.0007122000000000 ] - [ 0.0003061500000000, -0.0017429000000000, 0.0011529300000000 ] - [ 0.0002203400000000, -0.0003112500000000, -0.0001852900000000 ] - [ 0.0001651000000000, 0.0017968300000000, -0.0003835400000000 ] - [ 0.0000900300000000, 0.0006130500000000, 0.0001891200000000 ] - [ 0.0001485400000000, 0.0014859600000000, -0.0003856500000000 ] - [ 0.0002230400000000, 0.0003000700000000, 0.0001886700000000 ] - [ 0.0000104500000000, -0.0020434700000000, 0.0011461100000000 ] - [ 0.0000932800000000, -0.0006243700000000, -0.0001860300000000 ] - [ 0.0003838000000000, 0.0010120300000000, -0.0004815800000000 ] - [ -0.0013041500000000, 0.0008315500000000, -0.0007724800000000 ] - [ -0.0025270700000000, -0.0014589300000000, 0.0021652200000000 ] - [ 0.0032292500000000, -0.0010500600000000, 0.0019763800000000 ] - [ 0.0022163800000000, -0.0011491200000000, 0.0021726600000000 ] - [ -0.0035463100000000, -0.0007392600000000, 0.0019784700000000 ] - [ -0.0006985400000000, 0.0013280000000000, -0.0004810900000000 ] - [ 0.0009901800000000, 0.0011469700000000, -0.0007728800000000 ] - [ -0.0005700200000000, 0.0002222700000000, -0.0002351900000000 ] - [ -0.0022180900000000, 0.0000188800000000, 0.0001565800000000 ] - [ -0.0025196400000000, 0.0002283400000000, -0.0002382400000000 ] - [ -0.0008693200000000, 0.0000236000000000, 0.0001551200000000 ] - [ 0.0054393700000000, 0.0216791800000000, 0.0001158100000000 ] - [ 0.0016547900000000, 0.0005435500000000, 0.0000333900000000 ] - [ -0.0023500500000000, 0.0214336400000000, 0.0001227200000000 ] - [ 0.0014312500000000, 0.0005420700000000, 0.0000352400000000 ] - [ 0.0011629900000000, 0.0016390700000000, 0.0012387300000000 ] - [ -0.0004811700000000, -0.0000287000000000, 0.0001921600000000 ] - [ -0.0046314600000000, -0.0046866000000000, -0.0115270900000000 ] - [ 0.0004017200000000, -0.0031042800000000, -0.0006571300000000 ] - [ 0.0046108000000000, -0.0016695000000000, -0.0115665100000000 ] - [ -0.0004004500000000, -0.0000210900000000, -0.0006606200000000 ] - [ -0.0011581700000000, 0.0047239200000000, 0.0012435900000000 ] - [ 0.0004778100000000, 0.0030582100000000, 0.0001906800000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0002349100000000, 0.0087330400000000, -0.0271592000000000 ] - [ -0.0000633000000000, 0.0001449800000000, -0.0001628000000000 ] - [ -0.0000630800000000, -0.0001875000000000, -0.0000136100000000 ] - [ -0.0000671000000000, -0.0001118200000000, 0.0000058100000000 ] - [ 0.0028716300000000, -0.0031275300000000, 0.0027148800000000 ] - [ -0.0003704400000000, -0.0002047400000000, -0.0000205000000000 ] - [ 0.0000542200000000, -0.0000774400000000, -0.0000199600000000 ] - [ 0.0000145600000000, -0.0001465000000000, 0.0000309900000000 ] - [ -0.0000539700000000, 0.0000521300000000, -0.0000221000000000 ] - [ -0.0000145100000000, -0.0000170600000000, 0.0000303200000000 ] - [ -0.0029068200000000, -0.0030396400000000, 0.0027365800000000 ] - [ 0.0003719300000000, -0.0000779000000000, -0.0000211000000000 ] - [ 0.0000651000000000, 0.0004035700000000, 0.0008259100000000 ] - [ 0.0000625600000000, 0.0000903200000000, 0.0005249500000000 ] - [ 0.0000611700000000, -0.0002125400000000, -0.0000006700000000 ] - [ 0.0000646100000000, -0.0000843800000000, -0.0000091900000000 ] - [ -0.0001230600000000, -0.0004408800000000, 0.0013973200000000 ] - [ 0.0000708100000000, 0.0004582500000000, 0.0006546400000000 ] - [ 0.0006081200000000, 0.0021764000000000, 0.0013954200000000 ] - [ 0.0000167700000000, 0.0005852600000000, 0.0007032100000000 ] - [ 0.0003434000000000, 0.0003265500000000, 0.0002612900000000 ] - [ 0.0004584000000000, 0.0000864000000000, 0.0005100200000000 ] - [ 0.0001481400000000, 0.0006700500000000, -0.0028648400000000 ] - [ 0.0003796600000000, 0.0000391000000000, 0.0002864900000000 ] - [ -0.0000865800000000, 0.0019272600000000, 0.0073242900000000 ] - [ -0.0004014200000000, -0.0000446700000000, 0.0008820200000000 ] - [ -0.0003067900000000, 0.0004682000000000, 0.0011645100000000 ] - [ -0.0004572800000000, 0.0000756500000000, 0.0006730200000000 ] - [ -0.0000388700000000, 0.0005382000000000, -0.0007894800000000 ] - [ -0.0000365400000000, 0.0004471300000000, -0.0005691900000000 ] - [ -0.0010886200000000, 0.0017956500000000, -0.0013121600000000 ] - [ 0.0000541400000000, 0.0005878400000000, -0.0007522900000000 ] - [ 0.0011260800000000, 0.0009472000000000, -0.0001339700000000 ] - [ -0.0000132300000000, -0.0002519700000000, 0.0004300200000000 ] - [ 0.0000811100000000, -0.0003046900000000, 0.0003947600000000 ] - [ 0.0000776800000000, -0.0003958600000000, 0.0006105000000000 ] - [ -0.0009189300000000, 0.0005001200000000, 0.0003260000000000 ] - [ -0.0005969600000000, 0.0002466900000000, 0.0003544800000000 ] - [ 0.0000017400000000, -0.0003860800000000, 0.0048573500000000 ] - [ -0.0008977600000000, 0.0000767500000000, 0.0005957800000000 ] - [ -0.0005292200000000, 0.0005146200000000, -0.0000172100000000 ] - [ -0.0003829400000000, 0.0001180300000000, -0.0005128200000000 ] - [ -0.0007444000000000, 0.0019879700000000, 0.0061896500000000 ] - [ -0.0004455300000000, -0.0000031600000000, -0.0002937300000000 ] - [ 0.0006928800000000, 0.0006226200000000, -0.0040620100000000 ] - [ 0.0004616100000000, -0.0000050400000000, -0.0009018200000000 ] - [ 0.0004980500000000, 0.0002863000000000, -0.0009225600000000 ] - [ 0.0003854300000000, 0.0000445200000000, -0.0006780000000000 ] - [ 0.0066419000000000, 0.0028575500000000, -0.0013460300000000 ] - [ -0.0002558700000000, -0.0009448600000000, 0.0002356900000000 ] - [ 0.0000672100000000, -0.0002913900000000, 0.0003171900000000 ] - [ -0.0000898800000000, -0.0004893500000000, 0.0003051200000000 ] - [ 0.0009910200000000, -0.0004036000000000, -0.0000640300000000 ] - [ 0.0009754500000000, -0.0004140700000000, -0.0009388000000000 ] - [ 0.0003771100000000, 0.0003077900000000, 0.0001792300000000 ] - [ 0.0007895900000000, -0.0001152400000000, 0.0001568400000000 ] - [ 0.0023756300000000, -0.0020504600000000, -0.0002548800000000 ] - [ -0.0014542700000000, -0.0004940100000000, -0.0005037400000000 ] - [ 0.0000750500000000, -0.0003494500000000, -0.0002970400000000 ] - [ 0.0000656000000000, -0.0005072000000000, -0.0003044200000000 ] - [ -0.0003562300000000, 0.0010552800000000, -0.0002456000000000 ] - [ -0.0002082400000000, 0.0008600400000000, -0.0002603200000000 ] - [ -0.0068866900000000, 0.0041852200000000, -0.0013632900000000 ] - [ -0.0000295700000000, 0.0003987100000000, -0.0003266400000000 ] - [ 0.0009683300000000, 0.0005996000000000, -0.0003861600000000 ] - [ 0.0005580000000000, 0.0001723500000000, -0.0004066200000000 ] - [ 0.0003531800000000, -0.0001153100000000, -0.0006273800000000 ] - [ 0.0003744200000000, -0.0001180900000000, -0.0015027400000000 ] - [ 0.0002114800000000, 0.0009939800000000, 0.0002668800000000 ] - [ 0.0002223900000000, 0.0008426300000000, 0.0002586800000000 ] - [ -0.0020968700000000, -0.0007089800000000, 0.0003157800000000 ] - [ 0.0017553000000000, 0.0008514800000000, 0.0000661900000000 ] - [ -0.0012903200000000, -0.0006994300000000, 0.0042957600000000 ] - [ -0.0004452500000000, -0.0002124900000000, 0.0000305500000000 ] - [ -0.0004323200000000, 0.0002026800000000, -0.0002336500000000 ] - [ -0.0007517200000000, -0.0000442400000000, -0.0002086000000000 ] - [ -0.0006447000000000, 0.0013244100000000, 0.0001999200000000 ] - [ -0.0000578000000000, -0.0002600000000000, -0.0004793400000000 ] - [ 0.0000828600000000, -0.0012797400000000, 0.0002020600000000 ] - [ -0.0001154500000000, -0.0003825500000000, -0.0005323000000000 ] - [ 0.0006977500000000, 0.0037010000000000, 0.0039986700000000 ] - [ 0.0000770700000000, 0.0004330600000000, 0.0002345000000000 ] - [ 0.0000331300000000, -0.0004310500000000, 0.0003609600000000 ] - [ 0.0003184200000000, -0.0000181200000000, -0.0000332700000000 ] - [ 0.0002849700000000, -0.0007478700000000, 0.0003609800000000 ] - [ 0.0000020400000000, -0.0003348700000000, -0.0000334600000000 ] - [ -0.0003734700000000, 0.0033600600000000, 0.0039696800000000 ] - [ 0.0002439000000000, 0.0001131600000000, 0.0002342200000000 ] - [ -0.0002399300000000, -0.0006977900000000, -0.0001836500000000 ] - [ -0.0000670800000000, -0.0003022400000000, 0.0000226700000000 ] - [ -0.0000559800000000, 0.0013571300000000, -0.0014418700000000 ] - [ 0.0007306700000000, 0.0008927600000000, -0.0004895000000000 ] - [ -0.0002669700000000, 0.0016797600000000, -0.0014516900000000 ] - [ -0.0010396600000000, 0.0012148500000000, -0.0005039100000000 ] - [ -0.0000805100000000, -0.0003768900000000, -0.0001865000000000 ] - [ -0.0002486200000000, 0.0000184300000000, 0.0000192000000000 ] - [ -0.0022295300000000, -0.0006768100000000, 0.0012635100000000 ] - [ -0.0016625300000000, 0.0001410500000000, 0.0004634000000000 ] - [ -0.0008561400000000, -0.0006797600000000, 0.0012622900000000 ] - [ -0.0014319900000000, 0.0001350300000000, 0.0004642200000000 ] - [ 0.0033931700000000, -0.0004842000000000, -0.0043726400000000 ] - [ 0.0013493400000000, -0.0001187900000000, -0.0002777500000000 ] - [ -0.0003451000000000, -0.0003988400000000, -0.0043668700000000 ] - [ 0.0017424900000000, -0.0001157000000000, -0.0002743700000000 ] - [ 0.0005177000000000, -0.0019396000000000, -0.0001132600000000 ] - [ -0.0000602300000000, -0.0018230100000000, -0.0000230400000000 ] - [ 0.0152210000000000, -0.0144134700000000, 0.0049994700000000 ] - [ -0.0009576900000000, -0.0021973300000000, 0.0000165200000000 ] - [ -0.0150890400000000, -0.0112039500000000, 0.0049938700000000 ] - [ 0.0009482300000000, 0.0008963700000000, 0.0000270300000000 ] - [ -0.0005160200000000, 0.0011479100000000, -0.0001094200000000 ] - [ 0.0000637400000000, 0.0012670300000000, -0.0000193200000000 ]- atom: 17 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0010707700000000, -0.0010716700000000, -0.0001039000000000 ] - [ -0.0003844800000000, -0.0000556500000000, 0.0000927800000000 ] - [ 0.0018880400000000, 0.0007329300000000, 0.0006273100000000 ] - [ -0.0006431700000000, 0.0000647700000000, 0.0000372700000000 ] - [ 0.0001085700000000, -0.0009540400000000, -0.0006482400000000 ] - [ -0.0004698600000000, 0.0002568700000000, -0.0003074300000000 ] - [ 0.0003609800000000, 0.0001937000000000, -0.0000165800000000 ] - [ -0.0004012800000000, -0.0001634600000000, -0.0000645800000000 ] - [ -0.0012474000000000, 0.0071594900000000, 0.0019682900000000 ] - [ -0.0020395900000000, 0.0002078200000000, 0.0004942500000000 ] - [ 0.0002668300000000, -0.0003509000000000, -0.0000238400000000 ] - [ -0.0003054300000000, 0.0000053300000000, 0.0000967900000000 ] - [ 0.0001358000000000, 0.0003532200000000, -0.0000618100000000 ] - [ -0.0002206000000000, -0.0008305800000000, -0.0000581500000000 ] - [ -0.0004151100000000, -0.0007695000000000, -0.0011101400000000 ] - [ -0.0000451100000000, 0.0007563400000000, 0.0000337400000000 ] - [ -0.0707892500000000, -0.0290266100000000, -0.0158594200000000 ] - [ 0.0021668300000000, 0.0006852400000000, 0.0008258100000000 ] - [ -0.0002892400000000, 0.0011308600000000, 0.0001649000000000 ] - [ 0.0005539700000000, 0.0008168600000000, 0.0007677300000000 ] - [ 0.0017173100000000, 0.0015110300000000, 0.0085729000000000 ] - [ 0.0024677200000000, -0.0011178600000000, 0.0003468700000000 ] - [ 0.0000274100000000, 0.0003669500000000, 0.0005268800000000 ] - [ 0.0005426200000000, 0.0003232100000000, 0.0004297900000000 ] - [ -0.0024091600000000, -0.0015064400000000, -0.0049363500000000 ] - [ 0.0013900000000000, -0.0003648300000000, 0.0007419400000000 ] - [ -0.0013886400000000, 0.0011172900000000, -0.0002036100000000 ] - [ 0.0000170700000000, -0.0003216200000000, 0.0005191500000000 ] - [ 0.0166796800000000, -0.0009605000000000, 0.0051668200000000 ] - [ 0.0066323300000000, -0.0006905100000000, -0.0020464500000000 ] - [ -0.0002109100000000, 0.0016076500000000, -0.0002859500000000 ] - [ -0.0001197400000000, 0.0005289200000000, -0.0006531400000000 ] - [ -0.0009023200000000, -0.0015750500000000, 0.0026985100000000 ] - [ 0.0018835400000000, 0.0002508300000000, -0.0001467400000000 ] - [ 0.0001045400000000, -0.0000675600000000, 0.0007840800000000 ] - [ -0.0000728900000000, -0.0003744100000000, 0.0006559500000000 ] - [ 0.0027180500000000, -0.0058762000000000, 0.0099648300000000 ] - [ 0.0017605800000000, -0.0011600300000000, -0.0001238500000000 ] - [ -0.0014072500000000, 0.0012633900000000, 0.0002329000000000 ] - [ -0.0003258600000000, 0.0001935100000000, 0.0002869500000000 ] - [ 0.0003675300000000, 0.0056965300000000, -0.0160308600000000 ] - [ 0.0013603100000000, 0.0002039600000000, -0.0005675800000000 ] - [ -0.0007222400000000, 0.0002077300000000, -0.0005244000000000 ] - [ 0.0000861900000000, 0.0004614600000000, -0.0004655500000000 ] - [ -0.0000506800000000, -0.0012829100000000, 0.0033757900000000 ] - [ 0.0022913400000000, 0.0008321300000000, -0.0008973700000000 ] - [ 0.0003831900000000, 0.0008345400000000, 0.0000681000000000 ] - [ 0.0006358600000000, -0.0002119900000000, -0.0004655300000000 ] - [ -0.0020326600000000, -0.0004686000000000, 0.0005825400000000 ] - [ 0.0011249400000000, 0.0000370800000000, 0.0004258900000000 ] - [ -0.0019211000000000, -0.0017986200000000, 0.0003705300000000 ] - [ 0.0007923500000000, -0.0003239500000000, 0.0004155400000000 ] - [ 0.0024699300000000, -0.0021034800000000, 0.0007806300000000 ] - [ 0.0046859800000000, 0.0004956100000000, -0.0035056400000000 ] - [ 0.0011972400000000, 0.0005428700000000, 0.0005387400000000 ] - [ -0.0003314600000000, 0.0001160000000000, 0.0006558500000000 ] - [ -0.0006434800000000, -0.0005967900000000, -0.0000720500000000 ] - [ 0.0009411200000000, 0.0000176900000000, -0.0003685200000000 ] - [ -0.0002421000000000, 0.0008607000000000, -0.0005139800000000 ] - [ 0.0013381600000000, -0.0023938000000000, 0.0000678700000000 ] - [ -0.0082875000000000, 0.0046069800000000, 0.0000859900000000 ] - [ 0.0025941000000000, -0.0004212600000000, -0.0004032600000000 ] - [ -0.0024999900000000, 0.0026854300000000, -0.0003136600000000 ] - [ 0.0005881400000000, 0.0004267500000000, -0.0004003900000000 ] - [ 0.0032172100000000, 0.0010449300000000, 0.0012003400000000 ] - [ 0.0017422500000000, -0.0016284400000000, -0.0032314600000000 ] - [ 0.0012660000000000, 0.0005668500000000, -0.0001568900000000 ] - [ 0.0003994800000000, 0.0005942300000000, -0.0003649900000000 ] - [ 0.0145594200000000, 0.0084723200000000, -0.0009735400000000 ] - [ 0.0011415100000000, -0.0005417100000000, 0.0002770300000000 ] - [ -0.0004796400000000, -0.0003752900000000, 0.0001786200000000 ] - [ 0.0014068400000000, 0.0024406400000000, 0.0000112300000000 ] - [ 0.0017624900000000, 0.0041055100000000, 0.0077109300000000 ] - [ 0.0006496200000000, 0.0000480300000000, -0.0007673200000000 ] - [ -0.0014170400000000, -0.0005811800000000, -0.0004090900000000 ] - [ 0.0009251200000000, 0.0010175900000000, -0.0009664400000000 ] - [ -0.0048588900000000, 0.0014094600000000, 0.0120210500000000 ] - [ 0.0013658600000000, -0.0009814500000000, -0.0008177600000000 ] - [ -0.0005664100000000, 0.0001398700000000, -0.0005413900000000 ] - [ 0.0005142400000000, -0.0005889000000000, -0.0008372200000000 ] - [ 0.0047169100000000, -0.0010071300000000, 0.0006497900000000 ] - [ -0.0018785400000000, 0.0003273100000000, 0.0001386100000000 ] - [ 0.0011639400000000, -0.0014037600000000, -0.0010327300000000 ] - [ -0.0007966600000000, 0.0002268200000000, 0.0001523700000000 ] - [ 0.0043259200000000, 0.0025449100000000, -0.0015030600000000 ] - [ -0.0020382800000000, -0.0001465300000000, -0.0003214000000000 ] - [ 0.0006332300000000, -0.0006215400000000, 0.0000119700000000 ] - [ -0.0004244700000000, -0.0005013200000000, -0.0002194100000000 ] - [ -0.0023494600000000, 0.0000189000000000, 0.0012824700000000 ] - [ -0.0031307600000000, 0.0008348600000000, -0.0008568700000000 ] - [ -0.0002683000000000, -0.0003554800000000, -0.0001052800000000 ] - [ -0.0000645500000000, -0.0008362700000000, 0.0002202400000000 ] - [ -0.0017451400000000, 0.0036020400000000, 0.0023164800000000 ] - [ -0.0040237000000000, -0.0021146200000000, -0.0001488500000000 ] - [ -0.0004612900000000, -0.0031353600000000, 0.0019366000000000 ] - [ 0.0001000900000000, 0.0007940600000000, -0.0002850400000000 ] - [ -0.0050908400000000, 0.0034717600000000, -0.0100145600000000 ] - [ -0.0073026400000000, 0.0011650100000000, 0.0040645100000000 ] - [ -0.0020488700000000, -0.0015414800000000, -0.0005211200000000 ] - [ -0.0009095900000000, -0.0006038600000000, 0.0000275300000000 ] - [ 0.0292322400000000, 0.0015117100000000, -0.0012341600000000 ] - [ -0.0027912000000000, 0.0008837400000000, 0.0003287000000000 ] - [ 0.0034298200000000, -0.0012679700000000, 0.0003021300000000 ] - [ -0.0002353800000000, -0.0009759800000000, 0.0000701000000000 ] - [ 0.0096275300000000, 0.0041316800000000, 0.0008136200000000 ] - [ -0.0058666000000000, 0.0013915100000000, -0.0005422400000000 ] - [ 0.0022326900000000, -0.0026677500000000, 0.0002137000000000 ] - [ -0.0017898000000000, -0.0028824700000000, -0.0001050400000000 ] - [ 0.0068004000000000, -0.0003327200000000, -0.0007165000000000 ] - [ -0.0035609200000000, 0.0005408600000000, 0.0004552200000000 ] - [ 0.0021300500000000, 0.0005219800000000, -0.0000207900000000 ] - [ -0.0017743900000000, 0.0025717300000000, 0.0000850000000000 ]- atom: 17 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0011996400000000, 0.0010631700000000, 0.0001001100000000 ] - [ 0.0002632700000000, 0.0000552000000000, -0.0000918600000000 ] - [ -0.0019984600000000, -0.0007272400000000, -0.0006245800000000 ] - [ 0.0005109900000000, -0.0000637800000000, -0.0000374100000000 ] - [ -0.0001163100000000, 0.0008164300000000, 0.0006436900000000 ] - [ 0.0004728700000000, -0.0003796900000000, 0.0003054900000000 ] - [ -0.0003601900000000, -0.0003206200000000, 0.0000158400000000 ] - [ 0.0003974000000000, 0.0000363300000000, 0.0000666100000000 ] - [ 0.0011516300000000, -0.0069331400000000, -0.0019460900000000 ] - [ 0.0020299400000000, -0.0000842500000000, -0.0004908700000000 ] - [ -0.0002715000000000, 0.0004756900000000, 0.0000244400000000 ] - [ 0.0003079200000000, 0.0001201800000000, -0.0000966600000000 ] - [ -0.0000033000000000, -0.0003538300000000, 0.0000599900000000 ] - [ 0.0003460900000000, 0.0008305700000000, 0.0000565900000000 ] - [ 0.0005282400000000, 0.0007665200000000, 0.0011044900000000 ] - [ 0.0001865200000000, -0.0007583800000000, -0.0000356000000000 ] - [ 0.0698376900000000, 0.0283720100000000, 0.0169826700000000 ] - [ -0.0021771000000000, 0.0001601100000000, 0.0003412000000000 ] - [ 0.0002778200000000, -0.0002714500000000, 0.0010040900000000 ] - [ -0.0005645000000000, 0.0000568800000000, 0.0003851700000000 ] - [ -0.0008862400000000, -0.0014952200000000, -0.0073172200000000 ] - [ -0.0016132100000000, 0.0011298700000000, 0.0008274300000000 ] - [ 0.0008318400000000, -0.0003461200000000, 0.0006286500000000 ] - [ 0.0003268200000000, -0.0003092700000000, 0.0007257600000000 ] - [ 0.0014945900000000, 0.0015000800000000, 0.0061043000000000 ] - [ -0.0022416200000000, 0.0003499000000000, 0.0004234700000000 ] - [ 0.0005135000000000, -0.0011294500000000, 0.0013575600000000 ] - [ -0.0008746200000000, 0.0003088000000000, 0.0006420800000000 ] - [ -0.0162982600000000, 0.0017908100000000, -0.0062250500000000 ] - [ -0.0066908700000000, 0.0015488500000000, 0.0008918900000000 ] - [ 0.0002189100000000, -0.0007319600000000, -0.0008681600000000 ] - [ 0.0001351100000000, 0.0003306300000000, -0.0005108900000000 ] - [ 0.0008945100000000, 0.0007131900000000, -0.0014976800000000 ] - [ -0.0018627900000000, -0.0011033700000000, 0.0013217100000000 ] - [ -0.0000925100000000, -0.0007814700000000, 0.0003861700000000 ] - [ 0.0000863500000000, -0.0004734500000000, 0.0005163100000000 ] - [ -0.0039766700000000, 0.0061596400000000, -0.0094324600000000 ] - [ -0.0030770700000000, 0.0014492300000000, 0.0007165300000000 ] - [ 0.0000909600000000, -0.0009637300000000, 0.0003703200000000 ] - [ -0.0009889200000000, 0.0001066900000000, 0.0003174000000000 ] - [ -0.0012617100000000, -0.0056521900000000, 0.0146998500000000 ] - [ -0.0022108900000000, -0.0001909900000000, -0.0006038200000000 ] - [ -0.0001330900000000, -0.0001880200000000, -0.0006381800000000 ] - [ -0.0009308200000000, -0.0004471100000000, -0.0007104800000000 ] - [ 0.0008756400000000, 0.0012617400000000, -0.0045312200000000 ] - [ -0.0014400400000000, -0.0008469100000000, -0.0002704600000000 ] - [ 0.0004647000000000, -0.0008448400000000, -0.0012364000000000 ] - [ 0.0002392600000000, 0.0002009700000000, -0.0006847100000000 ] - [ 0.0017398200000000, -0.0008196100000000, 0.0000313000000000 ] - [ -0.0014208200000000, -0.0013329100000000, 0.0001890200000000 ] - [ 0.0016150600000000, 0.0004700000000000, 0.0002321600000000 ] - [ -0.0010784400000000, -0.0009868600000000, 0.0001892100000000 ] - [ -0.0011512300000000, 0.0017948400000000, -0.0001671400000000 ] - [ -0.0033743400000000, -0.0008118800000000, 0.0041407700000000 ] - [ 0.0000930500000000, -0.0008310800000000, 0.0000826800000000 ] - [ 0.0016427500000000, -0.0004066200000000, -0.0000497200000000 ] - [ 0.0009224900000000, -0.0007040400000000, -0.0005333700000000 ] - [ -0.0006413200000000, -0.0013345000000000, -0.0002309900000000 ] - [ 0.0005381100000000, -0.0021781900000000, -0.0000893100000000 ] - [ -0.0010394200000000, 0.0010806100000000, -0.0006699500000000 ] - [ 0.0079166900000000, -0.0032549800000000, -0.0006777600000000 ] - [ -0.0028792400000000, 0.0017095100000000, -0.0002151700000000 ] - [ 0.0021953800000000, -0.0013486000000000, -0.0003076600000000 ] - [ -0.0008849700000000, 0.0008928400000000, -0.0002029900000000 ] - [ -0.0018957800000000, -0.0007486200000000, -0.0017847600000000 ] - [ -0.0004393300000000, 0.0019362600000000, 0.0026673500000000 ] - [ 0.0000306600000000, -0.0002668400000000, -0.0004565100000000 ] - [ 0.0009063500000000, -0.0002947200000000, -0.0002471800000000 ] - [ -0.0140976600000000, -0.0071415100000000, 0.0015721400000000 ] - [ -0.0008467600000000, 0.0018463000000000, 0.0003277700000000 ] - [ 0.0007625000000000, 0.0016746400000000, 0.0004285000000000 ] - [ -0.0011052600000000, -0.0011288000000000, 0.0005945400000000 ] - [ -0.0030610900000000, -0.0044418200000000, -0.0083934600000000 ] - [ -0.0019581300000000, -0.0003473100000000, 0.0001522400000000 ] - [ 0.0001107500000000, 0.0002875100000000, -0.0002006500000000 ] - [ -0.0022201500000000, -0.0013101200000000, 0.0003489200000000 ] - [ 0.0047418800000000, -0.0022410000000000, -0.0130784000000000 ] - [ -0.0013767900000000, 0.0001308000000000, -0.0003568800000000 ] - [ 0.0005475600000000, -0.0009994500000000, -0.0006231500000000 ] - [ -0.0005230700000000, -0.0002809100000000, -0.0003137500000000 ] - [ -0.0044010200000000, 0.0015646700000000, -0.0008042400000000 ] - [ 0.0021922900000000, -0.0000048000000000, -0.0001397600000000 ] - [ -0.0008414600000000, 0.0017040900000000, 0.0010223200000000 ] - [ 0.0011130400000000, 0.0000868800000000, -0.0001543000000000 ] - [ -0.0040059500000000, -0.0028285200000000, 0.0014777100000000 ] - [ 0.0023492100000000, -0.0001724600000000, 0.0003178500000000 ] - [ -0.0003199900000000, 0.0002948900000000, -0.0000153900000000 ] - [ 0.0007388800000000, 0.0001858500000000, 0.0002200500000000 ] - [ 0.0020343600000000, -0.0003336500000000, -0.0012808200000000 ] - [ 0.0027893800000000, -0.0011492100000000, 0.0008478500000000 ] - [ -0.0000429800000000, 0.0000280900000000, 0.0001071700000000 ] - [ -0.0002549400000000, 0.0005150700000000, -0.0002186000000000 ] - [ 0.0014473900000000, -0.0032601900000000, -0.0022894100000000 ] - [ 0.0036996600000000, 0.0024409100000000, 0.0001614100000000 ] - [ 0.0001396100000000, 0.0034358800000000, -0.0019268300000000 ] - [ -0.0004201700000000, -0.0004755300000000, 0.0002861200000000 ] - [ 0.0020042300000000, -0.0034294100000000, 0.0098886800000000 ] - [ 0.0041790300000000, -0.0011380800000000, -0.0041023600000000 ] - [ -0.0010766300000000, 0.0015321600000000, 0.0005149700000000 ] - [ -0.0022094100000000, 0.0005955900000000, -0.0000299800000000 ] - [ -0.0257921700000000, -0.0014272300000000, 0.0013631700000000 ] - [ 0.0059052800000000, -0.0008757000000000, -0.0003176900000000 ] - [ -0.0003110900000000, 0.0012545600000000, -0.0002942900000000 ] - [ 0.0033614300000000, 0.0009661300000000, -0.0000751800000000 ] - [ -0.0091671600000000, -0.0062327900000000, -0.0007073800000000 ] - [ 0.0058706600000000, -0.0045224500000000, 0.0005463900000000 ] - [ -0.0022035300000000, -0.0004839500000000, -0.0002122600000000 ] - [ 0.0017902500000000, -0.0002415500000000, 0.0001037000000000 ] - [ -0.0067438100000000, 0.0034249000000000, 0.0007029700000000 ] - [ 0.0035478700000000, 0.0025826300000000, -0.0004550500000000 ] - [ -0.0021227300000000, 0.0025948000000000, 0.0000161500000000 ] - [ 0.0017690000000000, 0.0005484800000000, -0.0000807900000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0003321000000000, -0.0014879100000000, -0.0008553800000000 ] - [ -0.0000975900000000, -0.0001052400000000, 0.0000398000000000 ] - [ 0.0011480000000000, -0.0006816300000000, 0.0017612200000000 ] - [ -0.0004564100000000, 0.0000504300000000, 0.0001610700000000 ] - [ -0.0002560000000000, -0.0002989400000000, -0.0002718000000000 ] - [ 0.0002631900000000, 0.0002497800000000, -0.0000773900000000 ] - [ 0.0002469000000000, -0.0002072100000000, -0.0000419800000000 ] - [ -0.0003006000000000, -0.0002213200000000, 0.0000380800000000 ] - [ 0.0068140200000000, 0.0004976800000000, -0.0003163500000000 ] - [ -0.0014558700000000, 0.0014676800000000, -0.0001135500000000 ] - [ -0.0008189200000000, -0.0008232300000000, -0.0000238900000000 ] - [ 0.0002660200000000, -0.0003239900000000, 0.0000393100000000 ] - [ 0.0008740200000000, -0.0004452400000000, -0.0001200100000000 ] - [ -0.0004189800000000, -0.0007036800000000, -0.0000256200000000 ] - [ -0.0008106300000000, -0.0004798600000000, -0.0013759600000000 ] - [ 0.0003486800000000, 0.0001049500000000, -0.0001707500000000 ] - [ -0.0294456100000000, -0.1175503300000000, 0.0341425100000000 ] - [ 0.0002478000000000, -0.0000675800000000, 0.0006868300000000 ] - [ 0.0006839000000000, 0.0042592200000000, 0.0003711100000000 ] - [ 0.0003669800000000, 0.0010070700000000, 0.0007454700000000 ] - [ 0.0059666100000000, -0.0019659400000000, 0.0095548500000000 ] - [ 0.0013318500000000, -0.0009370300000000, 0.0009502400000000 ] - [ -0.0005535800000000, 0.0018381400000000, -0.0005634000000000 ] - [ 0.0003412500000000, 0.0004659700000000, 0.0003903500000000 ] - [ -0.0059486200000000, 0.0012966600000000, 0.0088385100000000 ] - [ 0.0005564500000000, -0.0004183400000000, 0.0005592400000000 ] - [ -0.0013295200000000, 0.0020269200000000, -0.0003473100000000 ] - [ -0.0003419900000000, 0.0000893900000000, 0.0005453200000000 ] - [ 0.0013609800000000, -0.0058089300000000, -0.0001148900000000 ] - [ 0.0011553000000000, -0.0012125900000000, -0.0004169300000000 ] - [ -0.0011508200000000, 0.0037476000000000, -0.0004698700000000 ] - [ -0.0000833700000000, 0.0009297100000000, -0.0006214700000000 ] - [ -0.0011361600000000, -0.0040764500000000, 0.0001155900000000 ] - [ 0.0006988300000000, -0.0012772400000000, -0.0001687800000000 ] - [ 0.0003710000000000, 0.0009560000000000, 0.0007608800000000 ] - [ 0.0000629300000000, -0.0000427300000000, 0.0006898200000000 ] - [ -0.0024990200000000, -0.0043290800000000, -0.0074015900000000 ] - [ 0.0015079000000000, -0.0015668100000000, -0.0001165800000000 ] - [ -0.0009884900000000, 0.0017956800000000, 0.0004478400000000 ] - [ -0.0013112000000000, 0.0010073200000000, 0.0002289500000000 ] - [ 0.0085472700000000, 0.0007849500000000, -0.0191375800000000 ] - [ -0.0001538900000000, -0.0002816800000000, -0.0008053300000000 ] - [ -0.0001581800000000, 0.0018048700000000, 0.0006753200000000 ] - [ 0.0000335400000000, 0.0005266200000000, -0.0004134300000000 ] - [ -0.0063997700000000, -0.0004802800000000, -0.0070093300000000 ] - [ 0.0011663700000000, -0.0000543200000000, -0.0005611000000000 ] - [ 0.0011665900000000, 0.0018537700000000, 0.0005430300000000 ] - [ 0.0005797900000000, 0.0001814800000000, -0.0006015900000000 ] - [ 0.0002713200000000, 0.0005892300000000, 0.0002673500000000 ] - [ 0.0001715600000000, -0.0003583600000000, 0.0003309800000000 ] - [ -0.0007221000000000, -0.0005318000000000, 0.0002554600000000 ] - [ 0.0001761300000000, -0.0007096800000000, 0.0002059400000000 ] - [ 0.0009104400000000, -0.0017145000000000, 0.0005318100000000 ] - [ 0.0085009600000000, -0.0019667600000000, -0.0049013600000000 ] - [ 0.0007361900000000, 0.0012652200000000, 0.0006632700000000 ] - [ -0.0008511200000000, 0.0012922500000000, 0.0009373300000000 ] - [ -0.0016067600000000, 0.0006629300000000, -0.0003750200000000 ] - [ 0.0010165100000000, -0.0003567200000000, -0.0003804200000000 ] - [ 0.0001358200000000, 0.0006897300000000, -0.0007909700000000 ] - [ 0.0000470600000000, -0.0008572200000000, -0.0002664600000000 ] - [ -0.0016749900000000, 0.0189699200000000, 0.0013110400000000 ] - [ 0.0012848000000000, 0.0001506700000000, -0.0001847100000000 ] - [ -0.0045553800000000, 0.0159207500000000, 0.0004117300000000 ] - [ -0.0000884900000000, 0.0007416000000000, -0.0003007100000000 ] - [ 0.0011974900000000, -0.0016463700000000, 0.0001847800000000 ] - [ -0.0030448400000000, -0.0024623000000000, 0.0019982800000000 ] - [ 0.0009123800000000, 0.0011683000000000, -0.0002639800000000 ] - [ 0.0015501800000000, 0.0015304300000000, -0.0003931900000000 ] - [ 0.0169432900000000, 0.0144074600000000, -0.0019199200000000 ] - [ -0.0012571100000000, 0.0004343500000000, 0.0002416400000000 ] - [ -0.0013760000000000, 0.0006489400000000, 0.0001721600000000 ] - [ 0.0014940000000000, 0.0018240300000000, 0.0001509900000000 ] - [ 0.0024977500000000, -0.0010153900000000, 0.0069008800000000 ] - [ -0.0015245900000000, -0.0010186500000000, -0.0003409000000000 ] - [ -0.0007431800000000, 0.0011171900000000, -0.0005916000000000 ] - [ 0.0011658700000000, 0.0015275000000000, -0.0011943600000000 ] - [ -0.0019083800000000, 0.0018396200000000, 0.0030186400000000 ] - [ 0.0005419000000000, -0.0009500800000000, -0.0008399700000000 ] - [ -0.0005862000000000, 0.0010509400000000, -0.0006121100000000 ] - [ 0.0001401100000000, -0.0001539700000000, -0.0008106300000000 ] - [ 0.0003342900000000, 0.0334215400000000, -0.0205815000000000 ] - [ -0.0002582200000000, 0.0003551500000000, -0.0001646400000000 ] - [ 0.0013008200000000, -0.0046453200000000, -0.0025413700000000 ] - [ -0.0004257400000000, -0.0001831000000000, -0.0000802700000000 ] - [ 0.0024736300000000, 0.0018352400000000, -0.0023477000000000 ] - [ -0.0004146100000000, 0.0001060200000000, -0.0001004700000000 ] - [ -0.0001527500000000, -0.0019006500000000, 0.0001396500000000 ] - [ 0.0000184700000000, -0.0005861700000000, -0.0000408600000000 ] - [ -0.0034626500000000, 0.0014888000000000, 0.0024893300000000 ] - [ 0.0000707800000000, 0.0006071000000000, 0.0002541800000000 ] - [ 0.0004648700000000, -0.0016036600000000, -0.0000455800000000 ] - [ -0.0003411400000000, -0.0008014300000000, 0.0000421000000000 ] - [ 0.0033414900000000, 0.0015282900000000, 0.0005951500000000 ] - [ -0.0030236800000000, -0.0000322500000000, 0.0004194900000000 ] - [ -0.0003982800000000, -0.0047291700000000, 0.0024147800000000 ] - [ 0.0001799800000000, -0.0002281200000000, 0.0000517400000000 ] - [ -0.0009319300000000, 0.0101088200000000, -0.0015095900000000 ] - [ -0.0045952000000000, 0.0090455500000000, -0.0000936200000000 ] - [ -0.0013815800000000, -0.0040998000000000, 0.0001176100000000 ] - [ -0.0011864300000000, -0.0024463800000000, 0.0000822000000000 ] - [ 0.0055130300000000, 0.0220339500000000, -0.0042562200000000 ] - [ 0.0001701800000000, 0.0026350900000000, 0.0004574300000000 ] - [ 0.0019612300000000, -0.0045198400000000, -0.0003293200000000 ] - [ 0.0004746900000000, -0.0022487900000000, -0.0000501100000000 ] - [ -0.0061800200000000, 0.0200968500000000, 0.0013874800000000 ] - [ -0.0008856800000000, 0.0006574600000000, -0.0004553000000000 ] - [ 0.0070954800000000, -0.0107445200000000, 0.0000430100000000 ] - [ -0.0011206700000000, -0.0030533500000000, -0.0000617200000000 ] - [ 0.0030061200000000, 0.0027919100000000, 0.0003408300000000 ] - [ -0.0017285700000000, 0.0016092500000000, 0.0002598400000000 ] - [ 0.0010023500000000, -0.0011072100000000, -0.0001003800000000 ] - [ -0.0003337300000000, 0.0014251700000000, 0.0001044200000000 ]- atom: 17 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0002009000000000, 0.0014807600000000, 0.0008651700000000 ] - [ -0.0000363400000000, 0.0001024400000000, -0.0000387300000000 ] - [ -0.0012628800000000, 0.0006912800000000, -0.0017403200000000 ] - [ 0.0003190300000000, -0.0000469200000000, -0.0001606400000000 ] - [ 0.0002451700000000, 0.0001526900000000, 0.0002720000000000 ] - [ -0.0002624900000000, -0.0003930600000000, 0.0000770700000000 ] - [ -0.0002444900000000, 0.0000816600000000, 0.0000415600000000 ] - [ 0.0002956200000000, 0.0000892500000000, -0.0000378300000000 ] - [ -0.0068755300000000, -0.0002071000000000, 0.0003407800000000 ] - [ 0.0014437400000000, -0.0013183300000000, 0.0001107000000000 ] - [ 0.0008238300000000, 0.0009521500000000, 0.0000218200000000 ] - [ -0.0002697700000000, 0.0004547000000000, -0.0000381000000000 ] - [ -0.0007361100000000, 0.0004390200000000, 0.0001150000000000 ] - [ 0.0005485200000000, 0.0006973400000000, 0.0000233100000000 ] - [ 0.0009368600000000, 0.0004834200000000, 0.0013656400000000 ] - [ -0.0002126700000000, -0.0000984400000000, 0.0001684200000000 ] - [ 0.0279694600000000, 0.1188266000000000, -0.0355650300000000 ] - [ -0.0002706600000000, 0.0009005000000000, 0.0004931700000000 ] - [ -0.0007112200000000, -0.0034039100000000, 0.0007918900000000 ] - [ -0.0003875500000000, -0.0001567200000000, 0.0004251100000000 ] - [ -0.0050988100000000, 0.0019381900000000, -0.0082662200000000 ] - [ -0.0004843700000000, 0.0009543000000000, 0.0002269400000000 ] - [ 0.0013976300000000, -0.0018043000000000, 0.0017392500000000 ] - [ 0.0005016200000000, -0.0004367100000000, 0.0007815700000000 ] - [ 0.0051098700000000, -0.0012963100000000, -0.0077237000000000 ] - [ -0.0013894700000000, 0.0003934900000000, 0.0006147900000000 ] - [ 0.0004783100000000, -0.0020476400000000, 0.0015029800000000 ] - [ -0.0004936000000000, -0.0001187100000000, 0.0006273300000000 ] - [ -0.0013905500000000, 0.0066218300000000, -0.0010676000000000 ] - [ -0.0010941100000000, 0.0020495400000000, -0.0007573600000000 ] - [ 0.0011762700000000, -0.0028911500000000, -0.0006911400000000 ] - [ 0.0001047600000000, -0.0000904200000000, -0.0005544700000000 ] - [ 0.0011451200000000, 0.0032257300000000, 0.0010599500000000 ] - [ -0.0006598200000000, 0.0004420700000000, 0.0013413700000000 ] - [ -0.0003458500000000, -0.0017900000000000, 0.0004193600000000 ] - [ -0.0000414000000000, -0.0007958600000000, 0.0004880200000000 ] - [ 0.0011538900000000, 0.0045467300000000, 0.0079870800000000 ] - [ -0.0028357000000000, 0.0018441300000000, 0.0006919400000000 ] - [ -0.0003621600000000, -0.0014924100000000, 0.0001261600000000 ] - [ -0.0000284800000000, -0.0007120200000000, 0.0003474800000000 ] - [ -0.0092839000000000, -0.0008505900000000, 0.0177284600000000 ] - [ -0.0006766500000000, 0.0003048800000000, -0.0003698000000000 ] - [ -0.0006801000000000, -0.0017731500000000, -0.0018570200000000 ] - [ -0.0008672100000000, -0.0004959100000000, -0.0007631400000000 ] - [ 0.0072399800000000, 0.0004557900000000, 0.0058823600000000 ] - [ -0.0003206800000000, 0.0000337000000000, -0.0006177800000000 ] - [ -0.0003212300000000, -0.0018702700000000, -0.0016972100000000 ] - [ 0.0002675800000000, -0.0002083000000000, -0.0005638800000000 ] - [ -0.0005628800000000, -0.0019026900000000, 0.0003172500000000 ] - [ -0.0004552700000000, -0.0009700800000000, 0.0002505900000000 ] - [ 0.0004109300000000, -0.0008331000000000, 0.0003250600000000 ] - [ -0.0004615000000000, -0.0006372900000000, 0.0003694300000000 ] - [ 0.0004336600000000, 0.0014209100000000, 0.0000462400000000 ] - [ -0.0071544300000000, 0.0016710700000000, 0.0055131700000000 ] - [ 0.0006002200000000, -0.0015511600000000, -0.0000731700000000 ] - [ 0.0021766000000000, -0.0015727300000000, -0.0003501200000000 ] - [ 0.0018742700000000, -0.0019833400000000, -0.0002057500000000 ] - [ -0.0007226100000000, -0.0009791200000000, -0.0001982600000000 ] - [ 0.0001588100000000, -0.0020326000000000, 0.0002099300000000 ] - [ 0.0002531000000000, -0.0004983300000000, -0.0003076000000000 ] - [ 0.0013229500000000, -0.0172065700000000, -0.0018469200000000 ] - [ -0.0015571000000000, 0.0011688600000000, -0.0003993500000000 ] - [ 0.0042690600000000, -0.0147375600000000, -0.0010129400000000 ] - [ -0.0002025300000000, 0.0006100600000000, -0.0002740600000000 ] - [ 0.0001486300000000, 0.0019233100000000, -0.0007601000000000 ] - [ 0.0043950400000000, 0.0027344700000000, -0.0025789500000000 ] - [ 0.0004300500000000, -0.0008680900000000, -0.0003139200000000 ] - [ -0.0002172200000000, -0.0012316500000000, -0.0001886700000000 ] - [ -0.0164418800000000, -0.0128027700000000, 0.0024443900000000 ] - [ 0.0015385800000000, 0.0008947800000000, 0.0003331100000000 ] - [ 0.0016750700000000, 0.0007071800000000, 0.0004052800000000 ] - [ -0.0011979100000000, -0.0004739400000000, 0.0004282800000000 ] - [ -0.0038804900000000, 0.0007446000000000, -0.0075678800000000 ] - [ 0.0001857000000000, 0.0007283500000000, -0.0002435800000000 ] - [ -0.0006070100000000, -0.0014102200000000, 0.0000091900000000 ] - [ -0.0024827300000000, -0.0018065400000000, 0.0006010800000000 ] - [ 0.0017492500000000, -0.0026665200000000, -0.0039409300000000 ] - [ -0.0005637100000000, 0.0001129400000000, -0.0003401800000000 ] - [ 0.0005566900000000, -0.0018925400000000, -0.0005652500000000 ] - [ -0.0001590400000000, -0.0006930000000000, -0.0003631000000000 ] - [ -0.0000848700000000, -0.0351487900000000, 0.0224607500000000 ] - [ 0.0005686100000000, -0.0000472100000000, 0.0001619600000000 ] - [ -0.0009698900000000, 0.0049127600000000, 0.0024985600000000 ] - [ 0.0007311600000000, 0.0004984900000000, 0.0000808500000000 ] - [ -0.0021431100000000, -0.0020892800000000, 0.0023278100000000 ] - [ 0.0007216300000000, -0.0004144300000000, 0.0001021600000000 ] - [ 0.0004667400000000, 0.0015722400000000, -0.0001451600000000 ] - [ 0.0002893600000000, 0.0002685100000000, 0.0000382000000000 ] - [ 0.0031348300000000, -0.0017875100000000, -0.0024739200000000 ] - [ -0.0004097700000000, -0.0009142400000000, -0.0002643600000000 ] - [ -0.0007778500000000, 0.0012752100000000, 0.0000504400000000 ] - [ 0.0000306500000000, 0.0004796400000000, -0.0000381000000000 ] - [ -0.0036464900000000, -0.0012290900000000, -0.0005825300000000 ] - [ 0.0027001100000000, 0.0003320300000000, -0.0004161400000000 ] - [ 0.0000825200000000, 0.0050080300000000, -0.0023856900000000 ] - [ -0.0004881600000000, 0.0005482700000000, -0.0000529000000000 ] - [ -0.0021566800000000, -0.0100719600000000, 0.0015240800000000 ] - [ 0.0014459300000000, -0.0090360700000000, 0.0001085400000000 ] - [ -0.0017265500000000, 0.0040816500000000, -0.0001351900000000 ] - [ -0.0018949100000000, 0.0024328400000000, -0.0000866400000000 ] - [ -0.0020750900000000, -0.0219847700000000, 0.0046974900000000 ] - [ 0.0029092700000000, -0.0026244300000000, -0.0004581800000000 ] - [ 0.0011470500000000, 0.0045037900000000, 0.0003562400000000 ] - [ 0.0026049200000000, 0.0022354300000000, 0.0000527100000000 ] - [ 0.0073257300000000, -0.0220860000000000, -0.0011857300000000 ] - [ 0.0008664500000000, -0.0037230400000000, 0.0004541200000000 ] - [ -0.0071153900000000, 0.0076308400000000, -0.0000402100000000 ] - [ 0.0011171700000000, -0.0000558300000000, 0.0000581600000000 ] - [ -0.0029307200000000, 0.0002309700000000, -0.0003322100000000 ] - [ 0.0017106300000000, 0.0014737500000000, -0.0002560200000000 ] - [ -0.0009849000000000, 0.0042126900000000, 0.0000937400000000 ] - [ 0.0003249800000000, 0.0016848900000000, -0.0001017900000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0010327800000000, -0.0022803700000000, 0.0007894600000000 ] - [ -0.0001296300000000, -0.0001202900000000, 0.0000650900000000 ] - [ 0.0010171500000000, 0.0025798500000000, 0.0007869100000000 ] - [ -0.0002022100000000, 0.0001482400000000, 0.0001112900000000 ] - [ -0.0014762900000000, -0.0011262000000000, -0.0034431800000000 ] - [ 0.0001420800000000, 0.0000597500000000, -0.0003303800000000 ] - [ -0.0000082700000000, 0.0002832400000000, -0.0003082500000000 ] - [ 0.0000278300000000, -0.0000077900000000, -0.0000819100000000 ] - [ 0.0036481100000000, -0.0020355600000000, 0.0067543600000000 ] - [ -0.0007694400000000, 0.0001915200000000, 0.0005711000000000 ] - [ 0.0005249600000000, 0.0001277300000000, 0.0002934200000000 ] - [ -0.0002114500000000, 0.0001075300000000, 0.0000811600000000 ] - [ -0.0002176600000000, 0.0005765400000000, -0.0001894500000000 ] - [ 0.0006321500000000, 0.0008998000000000, 0.0000224200000000 ] - [ -0.0004395900000000, -0.0010388400000000, -0.0007104000000000 ] - [ 0.0005134000000000, -0.0005967300000000, -0.0001577600000000 ] - [ -0.0157210600000000, 0.0361580800000000, -0.1843722800000000 ] - [ 0.0002159100000000, 0.0005158800000000, -0.0003484100000000 ] - [ -0.0004381400000000, 0.0002052100000000, -0.0003989800000000 ] - [ 0.0001656500000000, 0.0005788600000000, 0.0004808500000000 ] - [ 0.0087699000000000, 0.0055941700000000, 0.0084497300000000 ] - [ -0.0005118500000000, 0.0008017500000000, -0.0001826700000000 ] - [ 0.0003925200000000, -0.0001369400000000, 0.0013331000000000 ] - [ 0.0003805900000000, 0.0000800900000000, 0.0004450300000000 ] - [ -0.0092753900000000, 0.0078818600000000, 0.0084291600000000 ] - [ 0.0007258100000000, -0.0000700100000000, 0.0013365200000000 ] - [ -0.0007793800000000, -0.0002653400000000, -0.0001687600000000 ] - [ -0.0002188100000000, -0.0001684800000000, 0.0004469500000000 ] - [ 0.0056561100000000, -0.0000526900000000, -0.0010790800000000 ] - [ -0.0014312100000000, 0.0002503800000000, -0.0037245700000000 ] - [ 0.0003093400000000, 0.0003052300000000, -0.0002674000000000 ] - [ -0.0000499400000000, 0.0004466700000000, -0.0007400500000000 ] - [ -0.0020610700000000, 0.0000572300000000, 0.0051259300000000 ] - [ 0.0007472500000000, 0.0003332900000000, 0.0054276400000000 ] - [ -0.0001760200000000, -0.0005908300000000, 0.0011475700000000 ] - [ -0.0000459300000000, -0.0005174100000000, 0.0008858100000000 ] - [ 0.0141188500000000, -0.0147666300000000, 0.0061442900000000 ] - [ -0.0013162800000000, 0.0002230500000000, -0.0001207800000000 ] - [ -0.0010293500000000, 0.0011054400000000, 0.0000412500000000 ] - [ -0.0006164700000000, 0.0002069700000000, 0.0001230800000000 ] - [ -0.0187132500000000, -0.0152434500000000, 0.0050181300000000 ] - [ 0.0008390000000000, 0.0000791700000000, -0.0018315700000000 ] - [ -0.0006357400000000, 0.0000405300000000, -0.0018337200000000 ] - [ -0.0002468600000000, 0.0001422600000000, -0.0006642200000000 ] - [ 0.0068989800000000, -0.0039896600000000, 0.0143448100000000 ] - [ -0.0007037700000000, -0.0006745300000000, 0.0006891500000000 ] - [ 0.0003876200000000, 0.0002885500000000, 0.0006835600000000 ] - [ 0.0004382100000000, -0.0001304900000000, -0.0001655000000000 ] - [ -0.0006729900000000, 0.0011414200000000, 0.0022797000000000 ] - [ 0.0000625100000000, -0.0005438500000000, 0.0005691500000000 ] - [ -0.0013269400000000, -0.0024564700000000, 0.0017835800000000 ] - [ 0.0003357600000000, -0.0002969500000000, 0.0005759400000000 ] - [ 0.0019090100000000, -0.0012615800000000, 0.0005797200000000 ] - [ -0.0093434500000000, -0.0003298300000000, 0.0077484200000000 ] - [ 0.0008622500000000, 0.0002244000000000, 0.0006187200000000 ] - [ 0.0002453900000000, 0.0002818100000000, 0.0006079800000000 ] - [ -0.0018850500000000, 0.0002191100000000, 0.0009501700000000 ] - [ 0.0010109600000000, -0.0007088700000000, 0.0008384700000000 ] - [ -0.0000448300000000, -0.0014283100000000, 0.0011942500000000 ] - [ 0.0015755300000000, -0.0023631900000000, 0.0012144800000000 ] - [ -0.0009410900000000, 0.0059322100000000, -0.0032952600000000 ] - [ 0.0003707800000000, 0.0005947600000000, -0.0005874000000000 ] - [ 0.0011626600000000, -0.0052252100000000, -0.0014513400000000 ] - [ 0.0002215600000000, 0.0004199600000000, -0.0004996300000000 ] - [ 0.0026536600000000, 0.0006706700000000, 0.0007177200000000 ] - [ -0.0032571000000000, 0.0008653100000000, 0.0050091400000000 ] - [ 0.0009403900000000, 0.0002672500000000, -0.0000740000000000 ] - [ 0.0005479200000000, -0.0001718700000000, 0.0000011700000000 ] - [ 0.0066462400000000, 0.0042536900000000, 0.0012602500000000 ] - [ 0.0006517000000000, 0.0009018200000000, -0.0007500000000000 ] - [ 0.0007580600000000, 0.0011760200000000, -0.0004414900000000 ] - [ 0.0007554700000000, 0.0016135100000000, -0.0009337200000000 ] - [ 0.0105355600000000, 0.0125016500000000, 0.0042257800000000 ] - [ -0.0007823000000000, -0.0001609800000000, -0.0006465800000000 ] - [ -0.0009802100000000, -0.0011048200000000, -0.0006191300000000 ] - [ -0.0002741000000000, 0.0001167700000000, -0.0006094700000000 ] - [ -0.0124624000000000, 0.0030401800000000, 0.0303564900000000 ] - [ 0.0002043200000000, -0.0006663300000000, 0.0000641700000000 ] - [ -0.0000618200000000, -0.0004451600000000, -0.0006384600000000 ] - [ 0.0002362200000000, -0.0006405200000000, -0.0006379800000000 ] - [ 0.0000719000000000, -0.0159369100000000, 0.0134475800000000 ] - [ -0.0003147800000000, 0.0004007900000000, 0.0005651300000000 ] - [ 0.0005060300000000, -0.0010800800000000, -0.0009820900000000 ] - [ -0.0002585600000000, -0.0000520300000000, -0.0000142900000000 ] - [ 0.0008027300000000, 0.0029764000000000, -0.0093824700000000 ] - [ -0.0004739000000000, -0.0003034700000000, -0.0009097800000000 ] - [ 0.0002357000000000, -0.0005643400000000, -0.0009788300000000 ] - [ -0.0000069700000000, -0.0001784600000000, -0.0001882600000000 ] - [ 0.0034830400000000, -0.0003488900000000, -0.0023604300000000 ] - [ -0.0063692900000000, -0.0000648500000000, -0.0032394300000000 ] - [ -0.0001579200000000, -0.0007338600000000, 0.0003198400000000 ] - [ -0.0004295000000000, -0.0005981600000000, -0.0001176800000000 ] - [ 0.0011433100000000, 0.0008047900000000, 0.0035622400000000 ] - [ -0.0045599000000000, 0.0003629600000000, 0.0039288900000000 ] - [ -0.0001261200000000, -0.0008733100000000, 0.0014205700000000 ] - [ -0.0003211800000000, 0.0004739800000000, 0.0003573900000000 ] - [ -0.0083355100000000, 0.0018831000000000, -0.0064506800000000 ] - [ 0.0080088100000000, -0.0030559500000000, -0.0031063700000000 ] - [ -0.0017668600000000, -0.0003598800000000, -0.0011296100000000 ] - [ -0.0008621600000000, -0.0000844700000000, -0.0002586400000000 ] - [ 0.0296043800000000, 0.0026785400000000, 0.0795923300000000 ] - [ 0.0009413700000000, -0.0001380300000000, 0.0005764600000000 ] - [ 0.0026990400000000, 0.0001273000000000, 0.0014521000000000 ] - [ 0.0010414700000000, -0.0002393300000000, 0.0002418400000000 ] - [ -0.0181879600000000, -0.0171424700000000, 0.0199187500000000 ] - [ -0.0005603000000000, -0.0022243300000000, 0.0027564700000000 ] - [ -0.0027722400000000, 0.0007824200000000, 0.0010282900000000 ] - [ -0.0008122000000000, -0.0019670000000000, 0.0003665100000000 ] - [ 0.0096212000000000, -0.0048859900000000, -0.0143418700000000 ] - [ -0.0011626000000000, 0.0017767800000000, -0.0026223600000000 ] - [ 0.0009702400000000, 0.0031696000000000, -0.0013636400000000 ] - [ -0.0014641300000000, 0.0025219200000000, -0.0004072500000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0011882200000000, 0.0023051400000000, -0.0008088700000000 ] - [ -0.0000000300000000, 0.0001232900000000, -0.0000674700000000 ] - [ -0.0011727400000000, -0.0025976800000000, -0.0008099400000000 ] - [ 0.0000725400000000, -0.0001513100000000, -0.0001138700000000 ] - [ 0.0014906900000000, 0.0010079200000000, 0.0034797500000000 ] - [ -0.0001443800000000, -0.0001980700000000, 0.0003319700000000 ] - [ 0.0000065400000000, -0.0004228700000000, 0.0003106900000000 ] - [ -0.0000272100000000, -0.0001261000000000, 0.0000819700000000 ] - [ -0.0037805700000000, 0.0022548700000000, -0.0067653300000000 ] - [ 0.0007909600000000, -0.0000661400000000, -0.0005740700000000 ] - [ -0.0005386100000000, 0.0000132200000000, -0.0002961900000000 ] - [ 0.0002174400000000, 0.0000242700000000, -0.0000819800000000 ] - [ 0.0003486600000000, -0.0005751700000000, 0.0001981300000000 ] - [ -0.0004995100000000, -0.0008998300000000, -0.0000200400000000 ] - [ 0.0005712500000000, 0.0010362200000000, 0.0007319300000000 ] - [ -0.0003791100000000, 0.0005943200000000, 0.0001625900000000 ] - [ 0.0171502000000000, -0.0335121100000000, 0.1918046000000000 ] - [ -0.0002620900000000, 0.0003295400000000, 0.0015249900000000 ] - [ 0.0004076500000000, 0.0006334400000000, 0.0015889200000000 ] - [ -0.0002116200000000, 0.0002673900000000, 0.0006894600000000 ] - [ -0.0077798500000000, -0.0054606600000000, -0.0072232600000000 ] - [ 0.0013500000000000, -0.0007606300000000, 0.0013508800000000 ] - [ 0.0004555800000000, 0.0001772500000000, -0.0001759000000000 ] - [ 0.0004673200000000, -0.0000460000000000, 0.0007299200000000 ] - [ 0.0085395400000000, -0.0080067400000000, -0.0072394100000000 ] - [ -0.0015939800000000, 0.0000365900000000, -0.0001717100000000 ] - [ -0.0000620100000000, 0.0002217400000000, 0.0013610100000000 ] - [ -0.0006282100000000, 0.0001323400000000, 0.0007332600000000 ] - [ -0.0057467500000000, 0.0009124100000000, -0.0001758600000000 ] - [ 0.0015041500000000, 0.0006035000000000, 0.0025466200000000 ] - [ -0.0002741400000000, 0.0005378600000000, -0.0009145000000000 ] - [ 0.0000880800000000, 0.0003905500000000, -0.0004318300000000 ] - [ 0.0021297100000000, -0.0008966500000000, -0.0039875900000000 ] - [ -0.0007270200000000, -0.0011879200000000, -0.0042940800000000 ] - [ 0.0002153800000000, -0.0002562700000000, 0.0000185800000000 ] - [ 0.0000855300000000, -0.0003226200000000, 0.0002860500000000 ] - [ -0.0157456000000000, 0.0153617800000000, -0.0055645800000000 ] - [ -0.0000426800000000, 0.0000798000000000, 0.0006923500000000 ] - [ -0.0003070900000000, -0.0008352600000000, 0.0005238400000000 ] - [ -0.0007333400000000, 0.0000787100000000, 0.0004416300000000 ] - [ 0.0181476400000000, 0.0154836700000000, -0.0061928600000000 ] - [ -0.0017045800000000, -0.0000411700000000, 0.0006733800000000 ] - [ -0.0002099000000000, -0.0000020500000000, 0.0006769300000000 ] - [ -0.0006031000000000, -0.0001093900000000, -0.0005059900000000 ] - [ -0.0059754700000000, 0.0039200000000000, -0.0155442400000000 ] - [ 0.0015439800000000, 0.0006338400000000, -0.0018719900000000 ] - [ 0.0004507700000000, -0.0003317500000000, -0.0018801700000000 ] - [ 0.0004105900000000, 0.0000959200000000, -0.0010130600000000 ] - [ 0.0003910100000000, -0.0025179000000000, -0.0017326100000000 ] - [ -0.0003586600000000, -0.0008073000000000, -0.0000082600000000 ] - [ 0.0010621000000000, 0.0011432300000000, -0.0012285500000000 ] - [ -0.0006384800000000, -0.0010580800000000, -0.0000183600000000 ] - [ -0.0005644000000000, 0.0009781700000000, -0.0000326200000000 ] - [ 0.0106678500000000, 0.0000069300000000, -0.0072072000000000 ] - [ 0.0004781800000000, -0.0005223200000000, -0.0000602900000000 ] - [ 0.0011204500000000, -0.0005815800000000, -0.0000575800000000 ] - [ 0.0022137300000000, -0.0015943500000000, -0.0015147500000000 ] - [ -0.0007345900000000, -0.0006503100000000, -0.0014072200000000 ] - [ 0.0003344300000000, 0.0000916200000000, -0.0017568700000000 ] - [ -0.0013055400000000, 0.0010400600000000, -0.0017900500000000 ] - [ 0.0006602300000000, -0.0047429400000000, 0.0027049400000000 ] - [ -0.0006843500000000, 0.0007574400000000, 0.0000227000000000 ] - [ -0.0014847700000000, 0.0066994200000000, 0.0009253000000000 ] - [ -0.0005158700000000, 0.0009277100000000, -0.0000585800000000 ] - [ -0.0013065600000000, -0.0003782800000000, -0.0012964600000000 ] - [ 0.0045708300000000, -0.0005527600000000, -0.0055785700000000 ] - [ 0.0003965200000000, 0.0000137800000000, -0.0004948200000000 ] - [ 0.0007997800000000, 0.0004602600000000, -0.0005685800000000 ] - [ -0.0065644200000000, -0.0030651200000000, -0.0006155600000000 ] - [ -0.0003559300000000, 0.0004522300000000, 0.0013173000000000 ] - [ -0.0004796000000000, 0.0001649400000000, 0.0010096100000000 ] - [ -0.0004771900000000, -0.0002864600000000, 0.0015113500000000 ] - [ -0.0121263400000000, -0.0130690900000000, -0.0048008300000000 ] - [ -0.0005686100000000, -0.0001296600000000, 0.0000926400000000 ] - [ -0.0003602400000000, 0.0008291300000000, 0.0000677300000000 ] - [ -0.0010941500000000, -0.0004257000000000, 0.0000603700000000 ] - [ 0.0126438500000000, -0.0039271500000000, -0.0320890500000000 ] - [ -0.0002499500000000, -0.0001717100000000, -0.0012337100000000 ] - [ 0.0000276400000000, -0.0004064200000000, -0.0005228900000000 ] - [ -0.0002844900000000, -0.0002047100000000, -0.0005349500000000 ] - [ 0.0002106300000000, 0.0147506400000000, -0.0126981000000000 ] - [ 0.0006407500000000, -0.0000885000000000, -0.0005630900000000 ] - [ -0.0002031100000000, 0.0014310600000000, 0.0010161400000000 ] - [ 0.0005860900000000, 0.0003692600000000, 0.0000158700000000 ] - [ -0.0004920300000000, -0.0033712400000000, 0.0094276100000000 ] - [ 0.0007992600000000, -0.0000128700000000, 0.0009149200000000 ] - [ 0.0000757200000000, 0.0002617500000000, 0.0009927900000000 ] - [ 0.0003268200000000, -0.0001319400000000, 0.0001921300000000 ] - [ -0.0038129000000000, 0.0000288800000000, 0.0023543200000000 ] - [ 0.0061382600000000, -0.0002599300000000, 0.0032712800000000 ] - [ -0.0001549000000000, 0.0004314400000000, -0.0003286700000000 ] - [ 0.0001157000000000, 0.0002928100000000, 0.0001148900000000 ] - [ -0.0014402900000000, -0.0005189800000000, -0.0036082300000000 ] - [ 0.0042972600000000, -0.0000571200000000, -0.0039846400000000 ] - [ -0.0001934200000000, 0.0012350800000000, -0.0014584800000000 ] - [ 0.0000018400000000, -0.0001618600000000, -0.0003614200000000 ] - [ 0.0052343800000000, -0.0018815600000000, 0.0065861600000000 ] - [ -0.0111153800000000, 0.0030768000000000, 0.0031835900000000 ] - [ -0.0013094000000000, 0.0003758400000000, 0.0011539100000000 ] - [ -0.0022357300000000, 0.0000944100000000, 0.0002617500000000 ] - [ -0.0279800900000000, -0.0031739500000000, -0.0861305000000000 ] - [ 0.0021730000000000, 0.0001267200000000, -0.0005914300000000 ] - [ 0.0003549200000000, -0.0001208600000000, -0.0014832300000000 ] - [ 0.0020655900000000, 0.0002575000000000, -0.0002441300000000 ] - [ 0.0184442800000000, 0.0141811900000000, -0.0199629900000000 ] - [ 0.0005696700000000, -0.0008636200000000, -0.0027737400000000 ] - [ 0.0028342100000000, -0.0039126600000000, -0.0010333700000000 ] - [ 0.0008253700000000, -0.0011013700000000, -0.0003741600000000 ] - [ -0.0097663400000000, 0.0080793900000000, 0.0143773000000000 ] - [ 0.0011920900000000, 0.0013125000000000, 0.0026380900000000 ] - [ -0.0009914400000000, -0.0001127300000000, 0.0013645500000000 ] - [ 0.0014903300000000, 0.0005416400000000, 0.0004125900000000 ]- atom: 37 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000338500000000, 0.0016990800000000, -0.0002460500000000 ] - [ -0.0003810600000000, -0.0000460100000000, 0.0000794000000000 ] - [ 0.0104167600000000, 0.0055970400000000, 0.0006490900000000 ] - [ -0.0014258200000000, 0.0007985500000000, -0.0002259300000000 ] - [ 0.0021617800000000, -0.0003191100000000, 0.0013876200000000 ] - [ -0.0012845400000000, -0.0001508000000000, -0.0003252600000000 ] - [ 0.0016465300000000, 0.0008026400000000, -0.0001831800000000 ] - [ -0.0010121100000000, 0.0000079700000000, -0.0001664800000000 ] - [ 0.0064534500000000, -0.0003829900000000, 0.0035521900000000 ] - [ -0.0017562900000000, -0.0001006100000000, 0.0003799100000000 ] - [ 0.0006636500000000, 0.0003998200000000, -0.0002760900000000 ] - [ -0.0006380000000000, 0.0002113200000000, 0.0001884900000000 ] - [ -0.0004031000000000, 0.0003968600000000, 0.0002931300000000 ] - [ 0.0003760900000000, -0.0002077900000000, -0.0001153000000000 ] - [ -0.0005179100000000, -0.0004266400000000, -0.0003187300000000 ] - [ 0.0009622300000000, 0.0001255400000000, -0.0003038500000000 ] - [ 0.0033031700000000, -0.0013881700000000, 0.0155696400000000 ] - [ 0.0024008000000000, 0.0026038600000000, -0.0000497400000000 ] - [ -0.0007678100000000, 0.0001173600000000, 0.0002217500000000 ] - [ 0.0003135000000000, -0.0002069800000000, 0.0006438500000000 ] - [ 0.0016854500000000, -0.0001565500000000, 0.0024179300000000 ] - [ 0.0005858100000000, 0.0011531400000000, -0.0012125300000000 ] - [ 0.0007446800000000, -0.0006651300000000, 0.0007164400000000 ] - [ 0.0003991200000000, -0.0003122600000000, 0.0009734900000000 ] - [ 0.0131839800000000, -0.0078074900000000, -0.0030636500000000 ] - [ -0.0004736700000000, 0.0010060900000000, 0.0000742800000000 ] - [ -0.0006684800000000, 0.0011698600000000, 0.0003647600000000 ] - [ 0.0007154300000000, -0.0018059200000000, -0.0003677700000000 ] - [ 0.0025744900000000, -0.0000910600000000, 0.0013941400000000 ] - [ 0.0011129800000000, 0.0041541500000000, -0.0044817100000000 ] - [ 0.0006388400000000, 0.0001964500000000, -0.0003139400000000 ] - [ -0.0002338100000000, -0.0004460900000000, -0.0007078400000000 ] - [ 0.0018292500000000, -0.0001978600000000, -0.0006561100000000 ] - [ 0.0040478900000000, 0.0073823700000000, 0.0105764800000000 ] - [ 0.0005692300000000, -0.0003740000000000, 0.0003957100000000 ] - [ -0.0009671800000000, -0.0019489300000000, 0.0010248700000000 ] - [ -0.1804319900000000, 0.0992989500000000, -0.0333912100000000 ] - [ 0.0038117600000000, -0.0006795000000000, 0.0007421300000000 ] - [ -0.0015510700000000, -0.0005071500000000, 0.0001107100000000 ] - [ 0.0008674300000000, -0.0009461900000000, 0.0004501600000000 ] - [ 0.0178068800000000, 0.0039805100000000, 0.0047821000000000 ] - [ 0.0147986600000000, 0.0020414000000000, -0.0065203300000000 ] - [ -0.0009508500000000, -0.0010483400000000, -0.0006730600000000 ] - [ -0.0003652400000000, -0.0002142100000000, -0.0008389000000000 ] - [ 0.0017592500000000, 0.0000342500000000, -0.0014948200000000 ] - [ 0.0017950900000000, 0.0015018000000000, 0.0001775000000000 ] - [ 0.0007417000000000, 0.0006556700000000, -0.0005524900000000 ] - [ 0.0002584400000000, -0.0017567500000000, 0.0011150500000000 ] - [ -0.0016380500000000, -0.0029868200000000, -0.0006948200000000 ] - [ 0.0015053600000000, 0.0002663100000000, 0.0005827900000000 ] - [ -0.0007408000000000, 0.0011495100000000, -0.0011410000000000 ] - [ 0.0020003500000000, -0.0001473600000000, 0.0007327800000000 ] - [ 0.0030671400000000, -0.0012786000000000, -0.0000400700000000 ] - [ -0.0032382200000000, 0.0021668700000000, 0.0008299900000000 ] - [ 0.0023754100000000, -0.0007771500000000, 0.0001650600000000 ] - [ -0.0010110800000000, -0.0002065600000000, 0.0007520300000000 ] - [ 0.0029316200000000, -0.0029781000000000, -0.0005700900000000 ] - [ -0.0012584100000000, 0.0002930900000000, -0.0008387600000000 ] - [ 0.0006680500000000, 0.0003030200000000, -0.0005974800000000 ] - [ 0.0079111100000000, -0.0114049500000000, 0.0074991400000000 ] - [ -0.0020663700000000, 0.0038680800000000, 0.0018034600000000 ] - [ 0.0027295700000000, -0.0012321900000000, -0.0010698500000000 ] - [ 0.0000902700000000, -0.0012415600000000, 0.0002094600000000 ] - [ 0.0003284800000000, 0.0007688300000000, -0.0003567000000000 ] - [ 0.0035535300000000, 0.0017418200000000, 0.0000770300000000 ] - [ -0.0034672400000000, -0.0010021800000000, -0.0002858700000000 ] - [ 0.0017832900000000, 0.0002585400000000, -0.0001139700000000 ] - [ -0.0008721200000000, -0.0009889000000000, -0.0004539800000000 ] - [ 0.0030363500000000, 0.0029887000000000, 0.0006006200000000 ] - [ 0.0031608500000000, -0.0011471900000000, -0.0034588200000000 ] - [ 0.0005561500000000, -0.0002682700000000, 0.0005192500000000 ] - [ -0.0009361800000000, 0.0001428100000000, 0.0009450300000000 ] - [ -0.0164932300000000, -0.0067161800000000, 0.0004210300000000 ] - [ 0.0032747200000000, 0.0022971000000000, -0.0006675900000000 ] - [ -0.0036512900000000, -0.0028937000000000, -0.0002871000000000 ] - [ 0.0009430400000000, 0.0001478900000000, -0.0006262700000000 ] - [ 0.0023840800000000, -0.0036219000000000, -0.0119513000000000 ] - [ 0.0012904500000000, 0.0004178500000000, -0.0004788400000000 ] - [ -0.0007846200000000, -0.0003685100000000, -0.0002760800000000 ] - [ 0.0015532100000000, -0.0022638200000000, -0.0010005300000000 ] - [ 0.0026548500000000, 0.0030852100000000, -0.0027701600000000 ] - [ -0.0017036500000000, -0.0005032200000000, 0.0005113300000000 ] - [ 0.0015187600000000, -0.0011457900000000, -0.0009052400000000 ] - [ -0.0014444100000000, 0.0012731500000000, 0.0003111400000000 ] - [ 0.0034647000000000, -0.0027080500000000, 0.0015028700000000 ] - [ -0.0025725400000000, -0.0008022900000000, -0.0007185000000000 ] - [ 0.0011806800000000, 0.0010317100000000, 0.0007206300000000 ] - [ -0.0006605400000000, 0.0000250100000000, -0.0006051800000000 ] - [ -0.0046149100000000, -0.0012313000000000, 0.0018488100000000 ] - [ 0.0324842600000000, -0.0003892900000000, 0.0168314900000000 ] - [ -0.0012077400000000, 0.0010632200000000, -0.0006636700000000 ] - [ 0.0007579200000000, 0.0002970500000000, 0.0006528100000000 ] - [ -0.0041215300000000, 0.0009986000000000, -0.0012625000000000 ] - [ 0.0033229800000000, -0.0031193800000000, -0.0020690100000000 ] - [ -0.0013910900000000, -0.0010288600000000, 0.0007003400000000 ] - [ 0.0006227400000000, 0.0032681600000000, 0.0000014900000000 ] - [ -0.0067204600000000, -0.0002653800000000, -0.0004899600000000 ] - [ 0.0044256000000000, -0.0018417100000000, -0.0037102000000000 ] - [ -0.0038119200000000, 0.0004188600000000, -0.0001562300000000 ] - [ 0.0011551300000000, 0.0023112000000000, -0.0007921000000000 ] - [ 0.0911771700000000, -0.0874543000000000, 0.0027029500000000 ] - [ -0.0074938200000000, -0.0060539300000000, -0.0010182800000000 ] - [ 0.0049317300000000, 0.0016980300000000, 0.0002021800000000 ] - [ -0.0013409800000000, 0.0017786300000000, 0.0009179700000000 ] - [ -0.0046416700000000, -0.0081008900000000, -0.0099384000000000 ] - [ -0.0057815100000000, -0.0024208600000000, 0.0094835700000000 ] - [ -0.0004627800000000, 0.0007552200000000, -0.0002391900000000 ] - [ 0.0003341400000000, -0.0005632800000000, -0.0001914100000000 ] - [ -0.0036021800000000, 0.0060453900000000, 0.0064261800000000 ] - [ -0.0032424000000000, -0.0034457600000000, 0.0010768700000000 ] - [ -0.0000953100000000, -0.0004443300000000, 0.0005557600000000 ] - [ -0.0069358600000000, 0.0090345100000000, -0.0009407000000000 ]- atom: 37 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0001841500000000, -0.0016900300000000, 0.0002451700000000 ] - [ 0.0002283100000000, 0.0000499700000000, -0.0000793100000000 ] - [ -0.0103528500000000, -0.0051782600000000, -0.0006446600000000 ] - [ 0.0012836200000000, -0.0008042300000000, 0.0002290100000000 ] - [ -0.0021596000000000, 0.0001737100000000, -0.0013788600000000 ] - [ 0.0012838100000000, -0.0000055700000000, 0.0003247800000000 ] - [ -0.0016458600000000, -0.0009350500000000, 0.0001776500000000 ] - [ 0.0010123200000000, -0.0001468400000000, 0.0001665900000000 ] - [ -0.0064855000000000, 0.0005508300000000, -0.0034894100000000 ] - [ 0.0017563000000000, 0.0002498000000000, -0.0003829400000000 ] - [ -0.0006649500000000, -0.0002549200000000, 0.0002762200000000 ] - [ 0.0006392500000000, -0.0000680800000000, -0.0001881600000000 ] - [ 0.0005462100000000, -0.0003943500000000, -0.0002939000000000 ] - [ -0.0002342600000000, 0.0002092500000000, 0.0001157900000000 ] - [ 0.0006629500000000, 0.0004245200000000, 0.0003170700000000 ] - [ -0.0008222900000000, -0.0001265000000000, 0.0002991900000000 ] - [ -0.0033905000000000, 0.0022309500000000, -0.0142856200000000 ] - [ -0.0024351600000000, -0.0017688500000000, 0.0012313900000000 ] - [ 0.0007316400000000, 0.0007146200000000, 0.0009493000000000 ] - [ -0.0003501900000000, 0.0010432500000000, 0.0005335900000000 ] - [ -0.0008449100000000, 0.0001938300000000, -0.0012326300000000 ] - [ 0.0002560400000000, -0.0011171900000000, 0.0023955400000000 ] - [ 0.0000935300000000, 0.0007019400000000, 0.0004645500000000 ] - [ 0.0004403500000000, 0.0003456000000000, 0.0002119500000000 ] - [ -0.0139874400000000, 0.0078149900000000, 0.0042611100000000 ] - [ -0.0003768200000000, -0.0010466100000000, 0.0010906800000000 ] - [ -0.0001740700000000, -0.0012083700000000, 0.0008139900000000 ] - [ -0.0015514200000000, 0.0017688400000000, 0.0015373900000000 ] - [ -0.0025435500000000, 0.0009245400000000, -0.0025695000000000 ] - [ -0.0010728100000000, -0.0033192200000000, 0.0033388400000000 ] - [ -0.0006020900000000, 0.0006390400000000, -0.0008653100000000 ] - [ 0.0002704000000000, 0.0012820400000000, -0.0004633400000000 ] - [ -0.0017963300000000, -0.0006446800000000, 0.0018233200000000 ] - [ -0.0040196400000000, -0.0082325100000000, -0.0094354400000000 ] - [ -0.0005377900000000, -0.0004678000000000, 0.0007864000000000 ] - [ 0.0010043600000000, 0.0011083400000000, 0.0001537200000000 ] - [ 0.1797298000000000, -0.0954933000000000, 0.0359663100000000 ] - [ -0.0051691200000000, 0.0009784000000000, -0.0001803100000000 ] - [ 0.0002014500000000, 0.0007907800000000, 0.0004521100000000 ] - [ -0.0022232500000000, 0.0012383500000000, 0.0001124700000000 ] - [ -0.0183374700000000, -0.0038871600000000, -0.0058972700000000 ] - [ -0.0158165500000000, -0.0020005000000000, 0.0054058700000000 ] - [ 0.0001105200000000, 0.0010809500000000, -0.0005153000000000 ] - [ -0.0004727900000000, 0.0002487300000000, -0.0003360300000000 ] - [ -0.0009209200000000, -0.0000747100000000, 0.0003153800000000 ] - [ -0.0009546800000000, -0.0015363500000000, -0.0013511400000000 ] - [ 0.0000922900000000, -0.0006946100000000, -0.0006159800000000 ] - [ 0.0005818400000000, 0.0017205500000000, -0.0022939100000000 ] - [ 0.0013475900000000, 0.0016246200000000, 0.0012569100000000 ] - [ -0.0017987200000000, -0.0016271600000000, -0.0000202200000000 ] - [ 0.0004151400000000, -0.0025227300000000, 0.0017230100000000 ] - [ -0.0022927700000000, -0.0012072600000000, -0.0001694900000000 ] - [ -0.0017141900000000, 0.0009848300000000, 0.0006036100000000 ] - [ 0.0045950200000000, -0.0024590000000000, -0.0002649800000000 ] - [ -0.0010189400000000, 0.0004804100000000, 0.0004013600000000 ] - [ 0.0023691300000000, -0.0000921300000000, -0.0001850800000000 ] - [ -0.0026377900000000, 0.0016182000000000, 0.0000101100000000 ] - [ 0.0015550300000000, -0.0016547200000000, 0.0002709200000000 ] - [ -0.0003822300000000, -0.0016472200000000, 0.0000295800000000 ] - [ -0.0075924400000000, 0.0100543100000000, -0.0081018700000000 ] - [ 0.0017148700000000, -0.0024991600000000, -0.0023873000000000 ] - [ -0.0030322400000000, 0.0026016900000000, 0.0005096800000000 ] - [ -0.0003804600000000, 0.0025938300000000, -0.0007736800000000 ] - [ -0.0006205400000000, 0.0005827600000000, -0.0002073000000000 ] - [ -0.0021959200000000, -0.0014440600000000, -0.0006421800000000 ] - [ 0.0048344800000000, 0.0013105900000000, -0.0002835000000000 ] - [ -0.0004288800000000, 0.0000338000000000, -0.0004498900000000 ] - [ 0.0022275000000000, 0.0012807900000000, -0.0001090600000000 ] - [ -0.0027417600000000, -0.0016232100000000, -0.0000290000000000 ] - [ -0.0028478800000000, 0.0025239200000000, 0.0040375700000000 ] - [ -0.0002625600000000, 0.0016253000000000, 0.0000438800000000 ] - [ 0.0012270000000000, 0.0012048300000000, -0.0003725400000000 ] - [ 0.0149518600000000, 0.0063433200000000, -0.0009743800000000 ] - [ -0.0046447600000000, -0.0026014200000000, 0.0001076300000000 ] - [ 0.0022951300000000, 0.0025607300000000, -0.0002805100000000 ] - [ -0.0023007100000000, -0.0004433600000000, 0.0000609900000000 ] - [ -0.0024363800000000, 0.0027869300000000, 0.0107011300000000 ] - [ -0.0013222800000000, -0.0012555200000000, -0.0007018200000000 ] - [ 0.0007487300000000, -0.0004741400000000, -0.0008972200000000 ] - [ -0.0015859200000000, 0.0014224200000000, -0.0001853200000000 ] - [ -0.0023435600000000, -0.0027694200000000, 0.0027631800000000 ] - [ 0.0020166700000000, 0.0008159100000000, -0.0005129600000000 ] - [ -0.0012069000000000, 0.0014592500000000, 0.0009075900000000 ] - [ 0.0017563600000000, -0.0009666100000000, -0.0003138300000000 ] - [ -0.0031406000000000, 0.0023829000000000, -0.0015219000000000 ] - [ 0.0028804100000000, 0.0004887500000000, 0.0007159900000000 ] - [ -0.0008704800000000, -0.0013374100000000, -0.0007215700000000 ] - [ 0.0009722400000000, -0.0003322500000000, 0.0006050500000000 ] - [ 0.0042936900000000, 0.0009110700000000, -0.0018243100000000 ] - [ -0.0355076900000000, 0.0000686000000000, -0.0188898800000000 ] - [ 0.0008998900000000, -0.0013746400000000, 0.0006635100000000 ] - [ -0.0010695300000000, -0.0006029000000000, -0.0006534400000000 ] - [ 0.0038177500000000, -0.0006786700000000, 0.0012626800000000 ] - [ -0.0036139300000000, 0.0034427100000000, 0.0020409100000000 ] - [ 0.0010829200000000, 0.0013368400000000, -0.0006980700000000 ] - [ -0.0009452500000000, -0.0029564100000000, 0.0000020600000000 ] - [ 0.0036447400000000, 0.0002663600000000, 0.0004962700000000 ] - [ -0.0075122900000000, 0.0018240800000000, 0.0036871800000000 ] - [ 0.0007391500000000, -0.0004155800000000, 0.0001515300000000 ] - [ -0.0042368800000000, -0.0023037200000000, 0.0007857000000000 ] - [ -0.0861344300000000, 0.0835006000000000, -0.0027392700000000 ] - [ 0.0105963600000000, 0.0060736500000000, 0.0010234900000000 ] - [ -0.0018418900000000, -0.0016725400000000, -0.0002000500000000 ] - [ 0.0044203100000000, -0.0017767900000000, -0.0009112400000000 ] - [ 0.0047090600000000, 0.0049881600000000, 0.0098737800000000 ] - [ 0.0057613100000000, -0.0006785200000000, -0.0095208000000000 ] - [ 0.0004633300000000, -0.0038235500000000, 0.0002459400000000 ] - [ -0.0003329700000000, -0.0025047300000000, 0.0001845400000000 ] - [ 0.0035941000000000, -0.0029576300000000, -0.0064466600000000 ] - [ 0.0032367400000000, 0.0065195300000000, -0.0010612600000000 ] - [ 0.0001277300000000, 0.0035348500000000, -0.0005629700000000 ] - [ 0.0069015200000000, -0.0059322400000000, 0.0009514400000000 ]- atom: 37 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0005700400000000, -0.0033953800000000, 0.0003512800000000 ] - [ -0.0000032900000000, -0.0003530600000000, 0.0001017400000000 ] - [ -0.0013742800000000, 0.0046911200000000, -0.0005419300000000 ] - [ 0.0005374900000000, 0.0000735400000000, -0.0000681200000000 ] - [ -0.0013626600000000, -0.0007173200000000, -0.0022279100000000 ] - [ 0.0008206200000000, 0.0000878500000000, 0.0000681900000000 ] - [ -0.0002901200000000, -0.0020188900000000, 0.0016130200000000 ] - [ 0.0002833800000000, -0.0002039700000000, 0.0000781200000000 ] - [ -0.0013771800000000, 0.0050029200000000, -0.0067134800000000 ] - [ 0.0006157100000000, 0.0004616900000000, -0.0002090700000000 ] - [ -0.0002638500000000, -0.0007724300000000, 0.0001120000000000 ] - [ 0.0003040300000000, -0.0002360800000000, -0.0000589100000000 ] - [ 0.0005059600000000, -0.0005505300000000, -0.0004532100000000 ] - [ -0.0000911600000000, -0.0003938000000000, -0.0000301600000000 ] - [ 0.0000201700000000, 0.0005205400000000, 0.0002606000000000 ] - [ -0.0003642900000000, 0.0004165100000000, 0.0002668300000000 ] - [ -0.0060412000000000, -0.0039688600000000, -0.0144051000000000 ] - [ -0.0013161400000000, -0.0012825600000000, 0.0006612100000000 ] - [ 0.0010992100000000, 0.0020616600000000, 0.0015643800000000 ] - [ 0.0000269200000000, 0.0012785300000000, 0.0006531400000000 ] - [ 0.0000031700000000, -0.0018659700000000, 0.0011203500000000 ] - [ 0.0009907100000000, -0.0017521600000000, 0.0017829800000000 ] - [ 0.0001097100000000, 0.0012884400000000, 0.0003824500000000 ] - [ 0.0000996400000000, 0.0009504400000000, 0.0001033800000000 ] - [ -0.0170269600000000, 0.0142182200000000, 0.0071622500000000 ] - [ 0.0011017900000000, -0.0006331300000000, 0.0012019000000000 ] - [ 0.0009838900000000, 0.0009755500000000, 0.0010922600000000 ] - [ -0.0017652600000000, 0.0012358800000000, 0.0012048300000000 ] - [ -0.0008799700000000, -0.0013603300000000, -0.0011138600000000 ] - [ 0.0018142500000000, -0.0021632000000000, -0.0013152300000000 ] - [ -0.0003978700000000, 0.0014362700000000, -0.0007136700000000 ] - [ -0.0004317000000000, 0.0017973300000000, -0.0002722700000000 ] - [ -0.0019279700000000, -0.0019820900000000, 0.0017066300000000 ] - [ 0.0006854000000000, -0.0022044300000000, 0.0007896200000000 ] - [ 0.0007033300000000, 0.0009868700000000, 0.0002120400000000 ] - [ 0.0002743600000000, 0.0010095300000000, 0.0001574800000000 ] - [ 0.0937730400000000, -0.1694225600000000, 0.0045508600000000 ] - [ -0.0015087200000000, -0.0004666200000000, 0.0001804500000000 ] - [ -0.0013324600000000, 0.0035705000000000, 0.0002748700000000 ] - [ -0.0017681400000000, 0.0014476000000000, 0.0001126600000000 ] - [ -0.0019572800000000, -0.0080599100000000, -0.0013980900000000 ] - [ -0.0048108700000000, -0.0023326700000000, 0.0007279400000000 ] - [ 0.0010057800000000, 0.0027520300000000, -0.0000593400000000 ] - [ -0.0003653600000000, 0.0007528500000000, -0.0002212000000000 ] - [ -0.0013158000000000, -0.0007960900000000, 0.0014502000000000 ] - [ 0.0004163200000000, -0.0004001500000000, -0.0003990900000000 ] - [ 0.0012904200000000, 0.0007736000000000, -0.0014620800000000 ] - [ 0.0003165800000000, 0.0011691700000000, -0.0020291900000000 ] - [ 0.0008195700000000, 0.0022047400000000, 0.0017743900000000 ] - [ -0.0002885600000000, -0.0002677800000000, 0.0003307600000000 ] - [ 0.0058018200000000, 0.0023163000000000, -0.0050857900000000 ] - [ -0.0018297300000000, -0.0017660700000000, -0.0000208600000000 ] - [ -0.0004479200000000, 0.0000803800000000, 0.0006485200000000 ] - [ 0.0029818400000000, -0.0012452800000000, 0.0001949800000000 ] - [ 0.0000561400000000, 0.0002952900000000, 0.0001803400000000 ] - [ 0.0006222800000000, 0.0007565800000000, 0.0000443900000000 ] - [ -0.0028923200000000, 0.0020996900000000, 0.0005194800000000 ] - [ 0.0012195000000000, -0.0001497200000000, 0.0001912500000000 ] - [ 0.0012293700000000, -0.0020918500000000, -0.0002383500000000 ] - [ -0.0070288200000000, 0.0070459000000000, -0.0067325700000000 ] - [ 0.0079383300000000, -0.0012097700000000, 0.0049803900000000 ] - [ -0.0013590200000000, 0.0009127600000000, -0.0001221700000000 ] - [ -0.0013619500000000, 0.0035629300000000, -0.0010128400000000 ] - [ -0.0004755700000000, 0.0011573300000000, -0.0002135600000000 ] - [ -0.0009072100000000, -0.0014490800000000, -0.0004707300000000 ] - [ 0.0018273600000000, -0.0016679700000000, -0.0000925500000000 ] - [ 0.0005708100000000, 0.0010284300000000, -0.0002992800000000 ] - [ 0.0018115100000000, 0.0017383200000000, -0.0001252300000000 ] - [ -0.0008169000000000, -0.0008127300000000, 0.0002854200000000 ] - [ -0.0058017700000000, 0.0000937900000000, 0.0044185000000000 ] - [ 0.0002979200000000, 0.0023331000000000, -0.0002538300000000 ] - [ 0.0018255300000000, 0.0028264100000000, -0.0007446600000000 ] - [ 0.0057949200000000, 0.0193533000000000, -0.0020382800000000 ] - [ -0.0031218700000000, -0.0016839200000000, -0.0002863200000000 ] - [ 0.0020480600000000, 0.0111130200000000, 0.0002415600000000 ] - [ -0.0009748000000000, 0.0000210100000000, -0.0000357000000000 ] - [ -0.0042968700000000, -0.0012651000000000, 0.0121328200000000 ] - [ -0.0002096300000000, -0.0012899200000000, -0.0006057400000000 ] - [ 0.0004197600000000, 0.0008399800000000, -0.0015600000000000 ] - [ -0.0011778100000000, 0.0012428000000000, -0.0003205600000000 ] - [ -0.0009652100000000, -0.0024044700000000, 0.0019871400000000 ] - [ 0.0006765100000000, 0.0003358500000000, -0.0004738000000000 ] - [ -0.0002406800000000, -0.0005843700000000, -0.0001811200000000 ] - [ 0.0010745800000000, -0.0002791400000000, 0.0001221700000000 ] - [ -0.0014104500000000, 0.0053678900000000, 0.0007468200000000 ] - [ 0.0013620000000000, 0.0009832200000000, 0.0004667500000000 ] - [ -0.0004935500000000, -0.0025802700000000, -0.0004695400000000 ] - [ 0.0004324000000000, -0.0010302600000000, 0.0001409400000000 ] - [ 0.0008048400000000, 0.0017129100000000, -0.0001250500000000 ] - [ 0.0127672900000000, 0.0029462400000000, 0.0077775400000000 ] - [ 0.0003909600000000, -0.0023758600000000, 0.0006043400000000 ] - [ -0.0002282000000000, -0.0017690100000000, -0.0000498800000000 ] - [ 0.0037690200000000, 0.0001826900000000, 0.0025046700000000 ] - [ -0.0058793300000000, 0.0003764000000000, 0.0036881400000000 ] - [ -0.0005351900000000, 0.0004317200000000, -0.0007810300000000 ] - [ 0.0019175400000000, -0.0030569600000000, -0.0013304300000000 ] - [ 0.0015455600000000, 0.0025894600000000, -0.0006398300000000 ] - [ -0.0044239700000000, 0.0035447000000000, 0.0005858400000000 ] - [ -0.0013408400000000, -0.0022571600000000, 0.0007351300000000 ] - [ -0.0023014200000000, -0.0032725100000000, 0.0006419300000000 ] - [ -0.0832429600000000, 0.1216820000000000, -0.0048347100000000 ] - [ 0.0045025600000000, 0.0044093000000000, 0.0008737200000000 ] - [ -0.0030442800000000, -0.0091997900000000, -0.0006413900000000 ] - [ 0.0031467300000000, -0.0024058000000000, -0.0009147400000000 ] - [ -0.0006823200000000, 0.0105388400000000, 0.0004585100000000 ] - [ 0.0048172800000000, 0.0039463600000000, -0.0036750500000000 ] - [ 0.0002334300000000, -0.0062168100000000, -0.0000935400000000 ] - [ -0.0007028000000000, -0.0044053500000000, 0.0002199500000000 ] - [ 0.0048667200000000, -0.0024385600000000, -0.0106033700000000 ] - [ -0.0008025300000000, 0.0023089700000000, -0.0011323900000000 ] - [ -0.0049697400000000, -0.0011417900000000, 0.0014879000000000 ] - [ 0.0063026600000000, -0.0036876900000000, 0.0009688300000000 ]- atom: 37 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0007151000000000, 0.0034172700000000, -0.0003526800000000 ] - [ -0.0001299200000000, 0.0003511900000000, -0.0001008600000000 ] - [ 0.0017563600000000, -0.0040811300000000, 0.0005430000000000 ] - [ -0.0006728600000000, -0.0000686300000000, 0.0000672000000000 ] - [ 0.0013759800000000, 0.0005745700000000, 0.0022490700000000 ] - [ -0.0008264100000000, -0.0002236100000000, -0.0000685600000000 ] - [ 0.0002964800000000, 0.0018812200000000, -0.0015990300000000 ] - [ -0.0002875400000000, 0.0000718400000000, -0.0000786800000000 ] - [ 0.0013792000000000, -0.0048325500000000, 0.0068145800000000 ] - [ -0.0006200100000000, -0.0003321900000000, 0.0002109700000000 ] - [ 0.0002665900000000, 0.0009063000000000, -0.0001165900000000 ] - [ -0.0003064600000000, 0.0003697900000000, 0.0000592800000000 ] - [ -0.0003774600000000, 0.0005497600000000, 0.0004547300000000 ] - [ 0.0002255500000000, 0.0003894600000000, 0.0000287500000000 ] - [ 0.0001084200000000, -0.0005192900000000, -0.0002602200000000 ] - [ 0.0004981600000000, -0.0004125500000000, -0.0002669800000000 ] - [ 0.0059930300000000, 0.0049029800000000, 0.0157160100000000 ] - [ 0.0012889100000000, 0.0021257700000000, 0.0005163000000000 ] - [ -0.0011327800000000, -0.0012292700000000, -0.0003785400000000 ] - [ -0.0000638900000000, -0.0004439100000000, 0.0005238000000000 ] - [ 0.0008352600000000, 0.0019090200000000, 0.0000521400000000 ] - [ -0.0001467400000000, 0.0017862900000000, -0.0006087000000000 ] - [ 0.0007328300000000, -0.0012558600000000, 0.0007967900000000 ] - [ 0.0007370400000000, -0.0009154400000000, 0.0010770900000000 ] - [ 0.0163647100000000, -0.0144476400000000, -0.0060494000000000 ] - [ -0.0019502700000000, 0.0006040200000000, -0.0000358300000000 ] - [ -0.0018097100000000, -0.0010156400000000, 0.0000806700000000 ] - [ 0.0009274900000000, -0.0012803700000000, -0.0000330400000000 ] - [ 0.0009203600000000, 0.0022084200000000, -0.0000634300000000 ] - [ -0.0017484500000000, 0.0030313000000000, 0.0001061300000000 ] - [ 0.0004395400000000, -0.0006027500000000, -0.0004598800000000 ] - [ 0.0004632700000000, -0.0009641900000000, -0.0008999300000000 ] - [ 0.0019762100000000, 0.0011539600000000, -0.0005376600000000 ] - [ -0.0006179100000000, 0.0014341100000000, 0.0004502600000000 ] - [ -0.0006652200000000, -0.0018279300000000, 0.0009614500000000 ] - [ -0.0002444800000000, -0.0018538300000000, 0.0010182200000000 ] - [ -0.1010442300000000, 0.1737795200000000, -0.0043539100000000 ] - [ 0.0001522600000000, 0.0007621400000000, 0.0003820900000000 ] - [ -0.0000342200000000, -0.0032790600000000, 0.0002823100000000 ] - [ 0.0004146800000000, -0.0011558800000000, 0.0004479600000000 ] - [ 0.0010407700000000, 0.0081491800000000, 0.0002013500000000 ] - [ 0.0040117600000000, 0.0023674800000000, -0.0019174700000000 ] - [ -0.0018355000000000, -0.0027166500000000, -0.0011140800000000 ] - [ -0.0004753300000000, -0.0007165000000000, -0.0009565800000000 ] - [ 0.0021616300000000, 0.0007682100000000, -0.0026463900000000 ] - [ 0.0004348300000000, 0.0003772400000000, -0.0007751400000000 ] - [ -0.0004533300000000, -0.0008128700000000, 0.0002819000000000 ] - [ 0.0005205100000000, -0.0012130100000000, 0.0008561600000000 ] - [ -0.0011164800000000, -0.0035714600000000, -0.0012265400000000 ] - [ 0.0000045500000000, -0.0010842900000000, 0.0002314100000000 ] - [ -0.0060970800000000, -0.0036897300000000, 0.0056305100000000 ] - [ 0.0015385200000000, 0.0004010900000000, 0.0005814700000000 ] - [ 0.0018167300000000, -0.0003773700000000, -0.0000906200000000 ] - [ -0.0016439900000000, 0.0009672300000000, 0.0003679200000000 ] - [ 0.0013103900000000, -0.0005981500000000, 0.0003803200000000 ] - [ 0.0007364200000000, -0.0010596400000000, 0.0005166500000000 ] - [ 0.0032028700000000, -0.0034691800000000, -0.0010880200000000 ] - [ -0.0009392800000000, -0.0011996600000000, -0.0007596400000000 ] - [ -0.0009295200000000, 0.0007272500000000, -0.0003215600000000 ] - [ 0.0073408700000000, -0.0084530000000000, 0.0061682700000000 ] - [ -0.0082444900000000, 0.0025676300000000, -0.0055410700000000 ] - [ 0.0010748300000000, 0.0004371600000000, -0.0004424500000000 ] - [ 0.0010714100000000, -0.0022047200000000, 0.0004624000000000 ] - [ 0.0001793400000000, 0.0002083500000000, -0.0003448700000000 ] - [ 0.0022774100000000, 0.0017529000000000, -0.0000898800000000 ] - [ -0.0004845500000000, 0.0019596900000000, -0.0004759000000000 ] - [ 0.0007938900000000, -0.0007329100000000, -0.0002606500000000 ] - [ -0.0004594900000000, -0.0014468700000000, -0.0004355000000000 ] - [ 0.0011180000000000, 0.0021718200000000, 0.0002759000000000 ] - [ 0.0060972100000000, 0.0012467400000000, -0.0038467800000000 ] - [ 0.0000034400000000, -0.0009725100000000, 0.0008179300000000 ] - [ -0.0015411500000000, -0.0014698300000000, 0.0013157900000000 ] - [ -0.0072623400000000, -0.0200200000000000, 0.0015161300000000 ] - [ 0.0017764500000000, 0.0014003500000000, -0.0002742700000000 ] - [ -0.0034043200000000, -0.0113189200000000, -0.0007961000000000 ] - [ -0.0003812200000000, -0.0003197700000000, -0.0005255200000000 ] - [ 0.0042485700000000, 0.0004984000000000, -0.0134321100000000 ] - [ 0.0001803800000000, 0.0004580000000000, -0.0005722800000000 ] - [ -0.0004533300000000, -0.0016847200000000, 0.0003760500000000 ] - [ 0.0011460000000000, -0.0020870600000000, -0.0008614600000000 ] - [ 0.0012894600000000, 0.0027140900000000, -0.0019973700000000 ] - [ -0.0003728000000000, -0.0000313900000000, 0.0004735300000000 ] - [ 0.0005553200000000, 0.0009063000000000, 0.0001802900000000 ] - [ -0.0007667500000000, 0.0005958300000000, -0.0001198600000000 ] - [ 0.0017411300000000, -0.0056921700000000, -0.0007526800000000 ] - [ -0.0010634100000000, -0.0012934800000000, -0.0004683500000000 ] - [ 0.0008086000000000, 0.0022745100000000, 0.0004752300000000 ] - [ -0.0001240900000000, 0.0007173200000000, -0.0001444200000000 ] - [ -0.0011153100000000, -0.0020284800000000, 0.0001138800000000 ] - [ -0.0129046900000000, -0.0031769600000000, -0.0076556500000000 ] - [ -0.0007099400000000, 0.0020696500000000, -0.0006042900000000 ] - [ -0.0000713200000000, 0.0014577400000000, 0.0000573100000000 ] - [ -0.0041044400000000, 0.0001229000000000, -0.0025162100000000 ] - [ 0.0056101800000000, -0.0001121100000000, -0.0037274600000000 ] - [ 0.0002171900000000, -0.0001153000000000, 0.0007790700000000 ] - [ -0.0022095200000000, 0.0033695400000000, 0.0013142800000000 ] - [ -0.0046508400000000, -0.0026033400000000, 0.0006459000000000 ] - [ 0.0013583700000000, -0.0035605600000000, -0.0006033600000000 ] - [ -0.0017564900000000, 0.0022643900000000, -0.0007357100000000 ] - [ -0.0007773100000000, 0.0032861200000000, -0.0006468200000000 ] - [ 0.0914948000000000, -0.1261210000000000, 0.0049555100000000 ] - [ -0.0014415600000000, -0.0044391000000000, -0.0008782400000000 ] - [ 0.0061149900000000, 0.0091828200000000, 0.0006394200000000 ] - [ -0.0000666500000000, 0.0024133400000000, 0.0009200000000000 ] - [ 0.0006792900000000, -0.0136665200000000, -0.0004234700000000 ] - [ -0.0048603700000000, -0.0070131500000000, 0.0037041800000000 ] - [ -0.0002438600000000, 0.0031381400000000, 0.0000822500000000 ] - [ 0.0007122100000000, 0.0013218500000000, -0.0002238400000000 ] - [ -0.0048874800000000, 0.0055255500000000, 0.0106804900000000 ] - [ 0.0007790800000000, 0.0007321200000000, 0.0011521300000000 ] - [ 0.0049695000000000, 0.0042451900000000, -0.0014733400000000 ] - [ -0.0063273200000000, 0.0068090500000000, -0.0009625200000000 ]- atom: 37 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0001105200000000, 0.0001847200000000, 0.0000462200000000 ] - [ -0.0001009900000000, 0.0000844400000000, 0.0000747300000000 ] - [ -0.0004504100000000, -0.0008458000000000, 0.0045808300000000 ] - [ -0.0001883100000000, -0.0001169100000000, 0.0003131000000000 ] - [ 0.0000206100000000, -0.0009803300000000, 0.0000267300000000 ] - [ -0.0000821700000000, 0.0000644200000000, -0.0000160800000000 ] - [ 0.0002788900000000, 0.0010297600000000, -0.0002189700000000 ] - [ -0.0001504500000000, 0.0000015400000000, -0.0000201100000000 ] - [ 0.0009746800000000, -0.0006900000000000, -0.0010715500000000 ] - [ -0.0002061200000000, 0.0001360700000000, 0.0000377900000000 ] - [ 0.0001019800000000, 0.0001143400000000, -0.0000448300000000 ] - [ -0.0000950500000000, 0.0001218300000000, 0.0000257700000000 ] - [ 0.0000214800000000, 0.0000952100000000, -0.0001047400000000 ] - [ 0.0001236900000000, 0.0000238900000000, -0.0001250500000000 ] - [ -0.0000282800000000, -0.0001773300000000, -0.0003431300000000 ] - [ 0.0001875700000000, -0.0002636300000000, -0.0012218700000000 ] - [ 0.0097389800000000, -0.0073101800000000, 0.0064759400000000 ] - [ -0.0004454100000000, 0.0000195800000000, 0.0001793400000000 ] - [ -0.0000865100000000, 0.0005904500000000, 0.0003474600000000 ] - [ -0.0000335600000000, 0.0003798700000000, 0.0004242800000000 ] - [ 0.0004073100000000, -0.0002585700000000, 0.0025934200000000 ] - [ 0.0003879200000000, -0.0000500900000000, 0.0020971500000000 ] - [ 0.0004740200000000, -0.0000951900000000, 0.0008715400000000 ] - [ 0.0003534500000000, -0.0000917700000000, 0.0008811500000000 ] - [ 0.0016590800000000, -0.0012303200000000, 0.0015699100000000 ] - [ -0.0003143600000000, -0.0001411500000000, -0.0001349700000000 ] - [ -0.0003922800000000, -0.0000478900000000, -0.0004433700000000 ] - [ -0.0002973500000000, -0.0003096800000000, -0.0006350200000000 ] - [ 0.0015148700000000, -0.0000428400000000, 0.0004156000000000 ] - [ -0.0029487900000000, -0.0018760000000000, 0.0047195700000000 ] - [ 0.0001684500000000, 0.0004135900000000, -0.0003737100000000 ] - [ -0.0000402300000000, 0.0005414500000000, -0.0003008900000000 ] - [ -0.0004548700000000, -0.0006727600000000, 0.0009052400000000 ] - [ 0.0038217900000000, 0.0047340500000000, 0.0080415500000000 ] - [ -0.0002090600000000, -0.0007989200000000, 0.0009260400000000 ] - [ -0.0003308500000000, -0.0010667300000000, 0.0009228400000000 ] - [ -0.0344513200000000, 0.0041452300000000, -0.0605530800000000 ] - [ -0.0002185900000000, 0.0000483800000000, 0.0000330500000000 ] - [ -0.0008430700000000, 0.0001456500000000, 0.0001555500000000 ] - [ -0.0005052400000000, -0.0000166800000000, 0.0001462000000000 ] - [ 0.0011199900000000, 0.0003871900000000, -0.0036167300000000 ] - [ 0.0002904100000000, 0.0000183200000000, -0.0018000000000000 ] - [ -0.0003261900000000, -0.0000721700000000, -0.0008943200000000 ] - [ -0.0004381900000000, -0.0000774500000000, -0.0008117500000000 ] - [ 0.0005200700000000, -0.0002546100000000, 0.0006590600000000 ] - [ 0.0009196700000000, 0.0001865600000000, 0.0008849600000000 ] - [ 0.0005188800000000, 0.0000522600000000, 0.0005332600000000 ] - [ 0.0004171800000000, -0.0003849400000000, 0.0009158800000000 ] - [ -0.0001469000000000, -0.0003467500000000, 0.0001722800000000 ] - [ 0.0003865700000000, -0.0004284900000000, 0.0003903800000000 ] - [ -0.0042574400000000, -0.0043962400000000, 0.0030196500000000 ] - [ 0.0008768800000000, -0.0000208200000000, 0.0004220800000000 ] - [ 0.0009947300000000, -0.0005177800000000, 0.0004648700000000 ] - [ 0.0001249200000000, -0.0000672800000000, 0.0012787000000000 ] - [ 0.0007789800000000, -0.0000461900000000, 0.0005116100000000 ] - [ 0.0002051500000000, 0.0000933300000000, 0.0009456000000000 ] - [ -0.0006558400000000, -0.0003782500000000, -0.0004272500000000 ] - [ 0.0001115300000000, -0.0003637400000000, -0.0003642100000000 ] - [ -0.0003248700000000, -0.0001239400000000, -0.0003640500000000 ] - [ 0.0065696400000000, -0.0084213600000000, 0.0046097100000000 ] - [ 0.0051470600000000, 0.0027820400000000, 0.0035323400000000 ] - [ -0.0008922400000000, 0.0011563500000000, -0.0003513800000000 ] - [ 0.0000146100000000, -0.0001231300000000, -0.0003520200000000 ] - [ -0.0000848200000000, 0.0006016800000000, -0.0002621400000000 ] - [ 0.0010330100000000, 0.0003375900000000, 0.0000884300000000 ] - [ 0.0006726300000000, -0.0000502300000000, 0.0024657400000000 ] - [ 0.0008323400000000, 0.0001657900000000, -0.0001143800000000 ] - [ 0.0004981600000000, -0.0000039300000000, -0.0001704400000000 ] - [ 0.0016507000000000, 0.0016404500000000, 0.0001670300000000 ] - [ -0.0052420200000000, 0.0021099000000000, 0.0030497100000000 ] - [ 0.0001960600000000, 0.0003717500000000, 0.0003855400000000 ] - [ -0.0001508200000000, 0.0002225800000000, 0.0004216200000000 ] - [ -0.0013450100000000, -0.0018861600000000, -0.0026772300000000 ] - [ -0.0002901700000000, -0.0001575800000000, -0.0005108000000000 ] - [ -0.0006617600000000, 0.0003602400000000, -0.0014569900000000 ] - [ -0.0003237800000000, 0.0000962500000000, -0.0005730100000000 ] - [ -0.0080124300000000, 0.0067433900000000, 0.0039177300000000 ] - [ 0.0004406800000000, -0.0004775800000000, -0.0009576700000000 ] - [ 0.0000815300000000, -0.0007320600000000, -0.0009310500000000 ] - [ 0.0006337200000000, -0.0013313400000000, -0.0009186200000000 ] - [ 0.0006875300000000, 0.0020899200000000, -0.0019511300000000 ] - [ -0.0001007300000000, 0.0004429300000000, -0.0002280000000000 ] - [ 0.0002819000000000, -0.0011951000000000, -0.0010993800000000 ] - [ -0.0000606200000000, -0.0002868500000000, -0.0004640900000000 ] - [ 0.0017445100000000, 0.0005007600000000, -0.0038361500000000 ] - [ -0.0001569100000000, -0.0005345000000000, -0.0006390500000000 ] - [ 0.0002603700000000, -0.0001431100000000, -0.0001497500000000 ] - [ 0.0001133500000000, -0.0000716900000000, -0.0002571500000000 ] - [ -0.0005606300000000, -0.0004614100000000, 0.0008465100000000 ] - [ 0.0244743700000000, -0.0008494600000000, 0.0184807300000000 ] - [ -0.0003543900000000, -0.0001512200000000, 0.0002047000000000 ] - [ 0.0000081500000000, -0.0000787900000000, 0.0002853400000000 ] - [ -0.0007587700000000, 0.0005502000000000, 0.0000931000000000 ] - [ 0.0007518500000000, 0.0015601800000000, 0.0005693100000000 ] - [ -0.0003164400000000, -0.0005100700000000, 0.0005440600000000 ] - [ 0.0005286100000000, -0.0013013400000000, 0.0008617800000000 ] - [ -0.0021660600000000, 0.0004552000000000, -0.0017559900000000 ] - [ -0.0010024800000000, 0.0008261500000000, -0.0096009800000000 ] - [ -0.0017910200000000, -0.0000330500000000, -0.0006373900000000 ] - [ -0.0008454800000000, 0.0003407300000000, -0.0010121100000000 ] - [ -0.0009473800000000, 0.0027115100000000, 0.0147286700000000 ] - [ 0.0008159000000000, 0.0000612100000000, 0.0009985800000000 ] - [ 0.0013955100000000, -0.0001816600000000, 0.0009293400000000 ] - [ 0.0010923200000000, 0.0001661400000000, 0.0007875100000000 ] - [ -0.0069850300000000, -0.0023927600000000, -0.0014890400000000 ] - [ 0.0054653500000000, -0.0001216300000000, 0.0004905900000000 ] - [ -0.0003765200000000, -0.0009421500000000, -0.0000623100000000 ] - [ 0.0003424500000000, -0.0011950100000000, -0.0000578000000000 ] - [ 0.0033751000000000, -0.0004503100000000, 0.0007490600000000 ] - [ -0.0023628900000000, -0.0002963600000000, 0.0005929500000000 ] - [ 0.0025483100000000, 0.0036022500000000, -0.0002062000000000 ] - [ -0.0042338300000000, 0.0054339600000000, -0.0002014500000000 ]- atom: 37 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0000192100000000, -0.0001996700000000, -0.0000454100000000 ] - [ -0.0000287900000000, -0.0000865200000000, -0.0000753700000000 ] - [ 0.0002831800000000, 0.0008004100000000, -0.0045748300000000 ] - [ 0.0000618300000000, 0.0001215200000000, -0.0003141400000000 ] - [ -0.0000231100000000, 0.0008554000000000, -0.0000377100000000 ] - [ 0.0000872100000000, -0.0001976400000000, 0.0000147400000000 ] - [ -0.0002798300000000, -0.0011654100000000, 0.0002174700000000 ] - [ 0.0001504600000000, -0.0001295000000000, 0.0000210800000000 ] - [ -0.0010134500000000, 0.0009172800000000, 0.0016338700000000 ] - [ 0.0002078900000000, -0.0000052700000000, -0.0000375700000000 ] - [ -0.0001044400000000, 0.0000107800000000, 0.0000472400000000 ] - [ 0.0000977300000000, 0.0000058500000000, -0.0000255400000000 ] - [ 0.0001103600000000, -0.0000966600000000, 0.0001029900000000 ] - [ 0.0000033100000000, -0.0000206500000000, 0.0001238400000000 ] - [ 0.0001519600000000, 0.0001789900000000, 0.0003427800000000 ] - [ -0.0000477000000000, 0.0002584300000000, 0.0012189500000000 ] - [ -0.0096554400000000, 0.0080472200000000, -0.0052322000000000 ] - [ 0.0003996700000000, 0.0008079600000000, 0.0009910100000000 ] - [ 0.0000543200000000, 0.0002464500000000, 0.0008291000000000 ] - [ -0.0000021200000000, 0.0004663300000000, 0.0007493300000000 ] - [ 0.0004316600000000, 0.0002887700000000, -0.0014163100000000 ] - [ 0.0004375900000000, 0.0000851600000000, -0.0009160100000000 ] - [ 0.0003631500000000, 0.0001379700000000, 0.0003007400000000 ] - [ 0.0004865900000000, 0.0001291400000000, 0.0002911400000000 ] - [ -0.0026725100000000, 0.0013195300000000, -0.0003026500000000 ] - [ -0.0005191900000000, 0.0001071600000000, 0.0013186800000000 ] - [ -0.0004544100000000, 0.0000101700000000, 0.0016255100000000 ] - [ -0.0005457200000000, 0.0002776800000000, 0.0018146700000000 ] - [ -0.0014742600000000, 0.0008741400000000, -0.0015998900000000 ] - [ 0.0029458000000000, 0.0026751800000000, -0.0058696800000000 ] - [ -0.0001347100000000, 0.0004304900000000, -0.0008015900000000 ] - [ 0.0000742300000000, 0.0003019100000000, -0.0008746300000000 ] - [ 0.0004869800000000, -0.0001664800000000, 0.0002886800000000 ] - [ -0.0038306300000000, -0.0056462000000000, -0.0069113800000000 ] - [ 0.0002451000000000, -0.0000291800000000, 0.0002512700000000 ] - [ 0.0003697100000000, 0.0002415300000000, 0.0002573400000000 ] - [ 0.0348695000000000, -0.0047541200000000, 0.0609283100000000 ] - [ -0.0011402300000000, 0.0002459300000000, 0.0005343700000000 ] - [ -0.0005047800000000, 0.0001534400000000, 0.0004117500000000 ] - [ -0.0008489400000000, 0.0003173800000000, 0.0004223800000000 ] - [ -0.0020195100000000, -0.0003793200000000, 0.0023857500000000 ] - [ -0.0010992600000000, 0.0000188200000000, 0.0005735900000000 ] - [ -0.0005096500000000, 0.0001143600000000, -0.0002876900000000 ] - [ -0.0003932300000000, 0.0001154400000000, -0.0003681000000000 ] - [ 0.0003201600000000, 0.0002071900000000, -0.0018115000000000 ] - [ -0.0001017700000000, -0.0002328800000000, -0.0020641900000000 ] - [ 0.0003170000000000, -0.0000838600000000, -0.0017127200000000 ] - [ 0.0004250300000000, 0.0003561500000000, -0.0020941300000000 ] - [ -0.0001379900000000, -0.0009879000000000, 0.0004092900000000 ] - [ -0.0006851000000000, -0.0009161400000000, 0.0001826400000000 ] - [ 0.0040104800000000, 0.0030948200000000, -0.0024768500000000 ] - [ -0.0011812500000000, -0.0013396400000000, 0.0001446000000000 ] - [ 0.0003536700000000, 0.0002226700000000, 0.0001022500000000 ] - [ 0.0012303800000000, -0.0002388700000000, -0.0007055600000000 ] - [ 0.0005564800000000, -0.0002456300000000, 0.0000633000000000 ] - [ 0.0011474300000000, -0.0003795500000000, -0.0003780100000000 ] - [ 0.0009507300000000, -0.0009653200000000, -0.0001261700000000 ] - [ 0.0001895900000000, -0.0009929400000000, -0.0001994400000000 ] - [ 0.0006247400000000, -0.0012354700000000, -0.0002016200000000 ] - [ -0.0063308700000000, 0.0071671700000000, -0.0052217200000000 ] - [ -0.0053749100000000, -0.0014046900000000, -0.0040598700000000 ] - [ 0.0005856100000000, 0.0001866100000000, -0.0002256700000000 ] - [ -0.0003068700000000, 0.0014678800000000, -0.0002294900000000 ] - [ -0.0002132500000000, 0.0007533100000000, -0.0003059000000000 ] - [ 0.0003149300000000, -0.0000457200000000, -0.0006563700000000 ] - [ 0.0006800700000000, 0.0003323400000000, -0.0030229500000000 ] - [ 0.0005078600000000, 0.0001279800000000, -0.0004590200000000 ] - [ 0.0008521200000000, 0.0003041600000000, -0.0004005900000000 ] - [ -0.0013512400000000, -0.0002991900000000, 0.0004025700000000 ] - [ 0.0054740100000000, -0.0007420100000000, -0.0024506900000000 ] - [ 0.0000973200000000, 0.0009839400000000, 0.0001789500000000 ] - [ 0.0004501300000000, 0.0011314400000000, 0.0001421700000000 ] - [ 0.0000439400000000, 0.0016679700000000, 0.0021030900000000 ] - [ -0.0010722400000000, -0.0001432100000000, -0.0000604000000000 ] - [ -0.0006793700000000, -0.0006744200000000, 0.0008824200000000 ] - [ -0.0010214300000000, -0.0003913400000000, 0.0000020100000000 ] - [ 0.0080987400000000, -0.0077011900000000, -0.0051083200000000 ] - [ -0.0004784600000000, -0.0003540800000000, -0.0002181500000000 ] - [ -0.0001188900000000, -0.0001035300000000, -0.0002420500000000 ] - [ -0.0006748100000000, 0.0004991500000000, -0.0002549200000000 ] - [ -0.0003796700000000, -0.0017661600000000, 0.0019481000000000 ] - [ 0.0004235600000000, -0.0001291300000000, 0.0002290600000000 ] - [ 0.0000323800000000, 0.0014998100000000, 0.0010998400000000 ] - [ 0.0003805300000000, 0.0005972500000000, 0.0004639600000000 ] - [ -0.0014616400000000, -0.0008066100000000, 0.0038496200000000 ] - [ 0.0004767400000000, 0.0002250100000000, 0.0006375700000000 ] - [ 0.0000484200000000, -0.0001778000000000, 0.0001457800000000 ] - [ 0.0002006800000000, -0.0002432600000000, 0.0002591400000000 ] - [ 0.0002551800000000, 0.0001542500000000, -0.0008563000000000 ] - [ -0.0257741800000000, 0.0005115100000000, -0.0186981000000000 ] - [ 0.0000477800000000, -0.0001741500000000, -0.0002050800000000 ] - [ -0.0003261900000000, -0.0002403600000000, -0.0002885100000000 ] - [ 0.0004694100000000, -0.0002317300000000, -0.0000650600000000 ] - [ -0.0010865300000000, -0.0012314900000000, -0.0005451500000000 ] - [ 0.0000033700000000, 0.0008245800000000, -0.0005429500000000 ] - [ -0.0008500600000000, 0.0016078700000000, -0.0008536500000000 ] - [ -0.0009177500000000, -0.0004438100000000, 0.0017508000000000 ] - [ -0.0020791700000000, -0.0008038800000000, 0.0095972300000000 ] - [ -0.0012950200000000, 0.0000252300000000, 0.0006397400000000 ] - [ -0.0022471500000000, -0.0003539600000000, 0.0010130500000000 ] - [ 0.0033615000000000, -0.0018659600000000, -0.0149246100000000 ] - [ 0.0022815900000000, -0.0000617400000000, -0.0009957400000000 ] - [ 0.0016959700000000, 0.0001756600000000, -0.0009311500000000 ] - [ 0.0020045700000000, -0.0001751900000000, -0.0007927700000000 ] - [ 0.0069410800000000, -0.0006730900000000, 0.0015375200000000 ] - [ -0.0054057600000000, -0.0029482000000000, -0.0004609900000000 ] - [ 0.0003752400000000, -0.0021616900000000, 0.0000719300000000 ] - [ -0.0003435500000000, -0.0019018500000000, 0.0000585200000000 ] - [ -0.0033980000000000, 0.0035512400000000, -0.0008695100000000 ] - [ 0.0023760400000000, 0.0033981400000000, -0.0006078700000000 ] - [ -0.0025628000000000, -0.0005256700000000, 0.0001995000000000 ] - [ 0.0042543400000000, -0.0023642200000000, 0.0002031600000000 ]- atom: 81 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0012890300000000, 0.0001483900000000, 0.0005384700000000 ] - [ 0.0005749000000000, 0.0000627000000000, -0.0000836600000000 ] - [ -0.0003601800000000, 0.0000068000000000, -0.0001259400000000 ] - [ 0.0003116200000000, -0.0000668000000000, 0.0001571200000000 ] - [ -0.0018915200000000, 0.0012241400000000, -0.0035255000000000 ] - [ 0.0016397800000000, -0.0001182100000000, 0.0005894100000000 ] - [ -0.0004666900000000, -0.0002218100000000, -0.0002735400000000 ] - [ 0.0004554100000000, -0.0000662100000000, 0.0001771700000000 ] - [ -0.0012999500000000, -0.0011118000000000, 0.0015176900000000 ] - [ 0.0011707800000000, 0.0006489200000000, -0.0005384000000000 ] - [ -0.0008903400000000, 0.0018491400000000, 0.0010518700000000 ] - [ 0.0009897600000000, -0.0002171800000000, -0.0001418200000000 ] - [ 0.0027721300000000, -0.0023776800000000, -0.0000978700000000 ] - [ 0.0029458800000000, 0.0033800100000000, -0.0008744100000000 ] - [ 0.0001630200000000, 0.0005408600000000, 0.0000808600000000 ] - [ 0.0003969900000000, -0.0011481200000000, -0.0000904600000000 ] - [ 0.0045402100000000, 0.0004521800000000, 0.0005962600000000 ] - [ -0.0020553400000000, 0.0000100900000000, 0.0001056900000000 ] - [ 0.0009845400000000, 0.0015559800000000, 0.0009378900000000 ] - [ -0.0009726500000000, -0.0001523900000000, 0.0001630000000000 ] - [ 0.0018089800000000, -0.0034182800000000, 0.0012450000000000 ] - [ -0.0044461500000000, 0.0033035100000000, -0.0004700900000000 ] - [ 0.0002449700000000, 0.0022994100000000, 0.0007976500000000 ] - [ 0.0000348800000000, -0.0006142600000000, 0.0008991300000000 ] - [ 0.0015472900000000, -0.0027087200000000, -0.0025936800000000 ] - [ -0.0021593700000000, 0.0004388300000000, 0.0009980800000000 ] - [ -0.0001636700000000, -0.0000332900000000, 0.0007278300000000 ] - [ -0.0008505100000000, 0.0003242300000000, 0.0006082900000000 ] - [ -0.0015808500000000, -0.0030832300000000, 0.0007040100000000 ] - [ -0.0038366400000000, 0.0032754900000000, -0.0050178500000000 ] - [ -0.0002786700000000, 0.0006628300000000, -0.0005493700000000 ] - [ 0.0002761900000000, 0.0000898200000000, -0.0007452600000000 ] - [ -0.0021699900000000, -0.0037154000000000, -0.0030657300000000 ] - [ -0.0029392000000000, -0.0001841600000000, 0.0068375700000000 ] - [ -0.0000925800000000, 0.0001982600000000, 0.0005837400000000 ] - [ 0.0001129000000000, -0.0006089500000000, 0.0008550700000000 ] - [ 0.0018143900000000, -0.0009736800000000, 0.0008121900000000 ] - [ -0.0025384000000000, 0.0006734700000000, 0.0000187000000000 ] - [ 0.0006805100000000, -0.0002485000000000, 0.0004026000000000 ] - [ -0.0022788700000000, 0.0010698700000000, 0.0000588500000000 ] - [ 0.0012201200000000, 0.0001987300000000, -0.0007734000000000 ] - [ -0.0018644400000000, -0.0001729700000000, -0.0011647200000000 ] - [ 0.0003402900000000, 0.0010070600000000, -0.0004923800000000 ] - [ -0.0010640900000000, -0.0006549500000000, -0.0010256500000000 ] - [ 0.0357068200000000, -0.0012668000000000, 0.0156776100000000 ] - [ -0.0043592900000000, -0.0015776600000000, 0.0006715700000000 ] - [ 0.0006253900000000, 0.0001473400000000, -0.0008278800000000 ] - [ 0.0000819900000000, 0.0000514400000000, -0.0003741500000000 ] - [ 0.0053773300000000, 0.0018637100000000, -0.0003742500000000 ] - [ -0.0025772100000000, -0.0018654300000000, 0.0002614400000000 ] - [ 0.0009881300000000, -0.0000322500000000, 0.0006586800000000 ] - [ -0.0010246100000000, -0.0008591800000000, 0.0001920300000000 ] - [ -0.0037722600000000, 0.0008072100000000, 0.0006808400000000 ] - [ 0.0333944600000000, 0.0126920000000000, -0.0239021200000000 ] - [ -0.0003718600000000, 0.0003998200000000, 0.0004793700000000 ] - [ 0.0015914800000000, -0.0002267000000000, 0.0001109200000000 ] - [ -0.0024061200000000, 0.0022420800000000, -0.0022068800000000 ] - [ -0.0005948200000000, -0.0019830300000000, 0.0010674100000000 ] - [ 0.0003341500000000, -0.0013379500000000, -0.0005647200000000 ] - [ -0.0002877600000000, 0.0004403300000000, 0.0001630900000000 ] - [ 0.0017225100000000, -0.0003895800000000, -0.0005858900000000 ] - [ -0.0023731000000000, 0.0018990900000000, -0.0002672200000000 ] - [ 0.0029242900000000, 0.0006325900000000, -0.0008819300000000 ] - [ -0.0017616100000000, 0.0011283000000000, -0.0001973300000000 ] - [ -0.0032885100000000, -0.0037878400000000, -0.0008931900000000 ] - [ 0.0041524000000000, 0.0059014700000000, 0.0006432600000000 ] - [ -0.0005554700000000, 0.0005272700000000, -0.0004396200000000 ] - [ 0.0014595100000000, -0.0019085500000000, 0.0004096600000000 ] - [ 0.0001846900000000, -0.0001596600000000, 0.0006704800000000 ] - [ 0.0004219300000000, 0.0018648400000000, -0.0003895800000000 ] - [ 0.0004099800000000, 0.0039816700000000, 0.0016802000000000 ] - [ -0.0030489500000000, -0.0024206100000000, -0.0011683500000000 ] - [ 0.0026115900000000, 0.0014201300000000, -0.0018798600000000 ] - [ -0.0034081400000000, -0.0013632800000000, 0.0000405900000000 ] - [ 0.0003431100000000, 0.0005007700000000, -0.0003831500000000 ] - [ -0.0014946800000000, -0.0004272500000000, -0.0002353000000000 ] - [ 0.0041503200000000, -0.0027351600000000, -0.0012354700000000 ] - [ -0.0022124000000000, 0.0001444600000000, 0.0000548400000000 ] - [ 0.0004577400000000, -0.0001147300000000, -0.0006623100000000 ] - [ -0.0006017100000000, -0.0002869800000000, -0.0004176100000000 ] - [ -0.1020195900000000, 0.0026508000000000, -0.0003392300000000 ] - [ 0.0036326800000000, 0.0000977300000000, -0.0001833200000000 ] - [ -0.0008801400000000, 0.0000967400000000, 0.0005553900000000 ] - [ 0.0010822800000000, -0.0002654200000000, -0.0004437800000000 ] - [ -0.0047541400000000, 0.0000707000000000, -0.0012400400000000 ] - [ 0.0032357400000000, -0.0002586300000000, 0.0000944700000000 ] - [ -0.0023033700000000, -0.0012383400000000, -0.0007490500000000 ] - [ 0.0014541700000000, 0.0002746000000000, 0.0002959200000000 ] - [ 0.0003087600000000, 0.0014582800000000, 0.0011055700000000 ] - [ -0.0010017000000000, -0.0019385300000000, -0.0014982600000000 ] - [ 0.0006443100000000, -0.0019381400000000, 0.0007803100000000 ] - [ -0.0009051100000000, 0.0006930700000000, -0.0005705100000000 ] - [ 0.0036971300000000, -0.0000758000000000, -0.0029278900000000 ] - [ 0.0014771800000000, 0.0012458200000000, 0.0033875500000000 ] - [ 0.0003794800000000, 0.0002597200000000, -0.0004355100000000 ] - [ -0.0007385000000000, -0.0002740300000000, 0.0006074700000000 ] - [ 0.0149087400000000, 0.0136411300000000, 0.0021510700000000 ] - [ 0.0241443300000000, -0.0258901600000000, -0.0044645400000000 ] - [ 0.0003201700000000, -0.0017824100000000, 0.0001544800000000 ] - [ -0.0018154300000000, 0.0013398100000000, -0.0002473600000000 ] - [ -0.0066131500000000, 0.0005119000000000, 0.0009263300000000 ] - [ 0.0064595900000000, 0.0003173500000000, -0.0001279300000000 ] - [ -0.0005630600000000, -0.0008150300000000, -0.0004411100000000 ] - [ 0.0037816000000000, -0.0002551900000000, 0.0002798900000000 ] - [ -0.0038193700000000, 0.0042580600000000, -0.0033725700000000 ] - [ 0.0048666600000000, -0.0048343400000000, 0.0028020200000000 ] - [ -0.0015613800000000, -0.0095269900000000, -0.0028639500000000 ] - [ 0.0035950400000000, 0.0010676000000000, 0.0005895700000000 ] - [ -0.0052701800000000, -0.0003739900000000, 0.0241367200000000 ] - [ 0.0058652400000000, 0.0039803100000000, -0.0031806000000000 ] - [ -0.0012677400000000, 0.0011962100000000, 0.0002855500000000 ] - [ 0.0013240500000000, 0.0008811100000000, -0.0004562500000000 ]- atom: 81 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0011602300000000, -0.0001465000000000, -0.0005312500000000 ] - [ -0.0007095000000000, -0.0000632300000000, 0.0000828600000000 ] - [ 0.0002270000000000, -0.0000090700000000, 0.0001260900000000 ] - [ -0.0004444000000000, 0.0000674800000000, -0.0001575400000000 ] - [ 0.0018938900000000, -0.0013600900000000, 0.0035365500000000 ] - [ -0.0016438400000000, -0.0000189900000000, -0.0005900500000000 ] - [ 0.0004676600000000, 0.0000881000000000, 0.0002745200000000 ] - [ -0.0004580600000000, -0.0000663100000000, -0.0001772300000000 ] - [ 0.0013078700000000, 0.0012453300000000, -0.0015200400000000 ] - [ -0.0011695500000000, -0.0005131800000000, 0.0005369500000000 ] - [ 0.0008990400000000, -0.0017230400000000, -0.0010563900000000 ] - [ -0.0009893200000000, 0.0003476300000000, 0.0001420500000000 ] - [ -0.0026201400000000, 0.0023667700000000, 0.0001126000000000 ] - [ -0.0028394700000000, -0.0033941400000000, 0.0008943200000000 ] - [ -0.0000337600000000, -0.0005397200000000, -0.0000807000000000 ] - [ -0.0002645400000000, 0.0011468400000000, 0.0000908100000000 ] - [ -0.0045786900000000, 0.0000267800000000, 0.0007457700000000 ] - [ 0.0020154800000000, 0.0008278100000000, 0.0010734900000000 ] - [ -0.0010229200000000, -0.0007234100000000, 0.0002409600000000 ] - [ 0.0009376100000000, 0.0009979200000000, 0.0010175800000000 ] - [ -0.0009565900000000, 0.0034448400000000, -0.0000639100000000 ] - [ 0.0052823800000000, -0.0032684900000000, 0.0016504200000000 ] - [ 0.0006015300000000, -0.0022568900000000, 0.0003905800000000 ] - [ 0.0008022600000000, 0.0006560500000000, 0.0002761500000000 ] - [ -0.0023685800000000, 0.0026651600000000, 0.0037660600000000 ] - [ 0.0013215800000000, -0.0004775500000000, 0.0001852400000000 ] - [ -0.0006763300000000, -0.0000074200000000, 0.0004502800000000 ] - [ 0.0000121600000000, -0.0003628300000000, 0.0005740200000000 ] - [ 0.0016118600000000, 0.0038969400000000, -0.0018933700000000 ] - [ 0.0038854800000000, -0.0024563300000000, 0.0038265100000000 ] - [ 0.0003211000000000, 0.0001739600000000, -0.0006295300000000 ] - [ -0.0002430200000000, 0.0007496700000000, -0.0004345000000000 ] - [ 0.0022131100000000, 0.0028914800000000, 0.0042445000000000 ] - [ 0.0029805700000000, -0.0006560200000000, -0.0056561300000000 ] - [ 0.0001315200000000, -0.0010385600000000, 0.0005918800000000 ] - [ -0.0000768300000000, -0.0002287900000000, 0.0003219000000000 ] - [ -0.0031789000000000, 0.0012709200000000, -0.0002531900000000 ] - [ 0.0011865600000000, -0.0003867400000000, 0.0005451800000000 ] - [ -0.0020396200000000, 0.0005368600000000, 0.0001568800000000 ] - [ 0.0009286700000000, -0.0007818800000000, 0.0005041500000000 ] - [ -0.0020481000000000, -0.0001534700000000, -0.0004094100000000 ] - [ 0.0010226400000000, 0.0002105600000000, -0.0000117700000000 ] - [ -0.0011756600000000, -0.0009766900000000, -0.0006992900000000 ] - [ 0.0002251100000000, 0.0006960100000000, -0.0001463800000000 ] - [ -0.0328727100000000, 0.0013035800000000, -0.0150383000000000 ] - [ 0.0051883000000000, 0.0015307800000000, -0.0018527100000000 ] - [ 0.0002145600000000, -0.0001845800000000, -0.0003505100000000 ] - [ 0.0007566000000000, -0.0000881500000000, -0.0008066000000000 ] - [ -0.0056727800000000, -0.0032225500000000, 0.0009364500000000 ] - [ 0.0022887000000000, 0.0005110200000000, 0.0002987700000000 ] - [ -0.0012776600000000, -0.0013184700000000, -0.0000981200000000 ] - [ 0.0007337700000000, -0.0004967300000000, 0.0003667500000000 ] - [ 0.0051308100000000, -0.0011021300000000, -0.0001315200000000 ] - [ -0.0346038600000000, -0.0129650500000000, 0.0263759900000000 ] - [ 0.0017272300000000, -0.0006913900000000, 0.0000812300000000 ] - [ -0.0002422900000000, -0.0000592600000000, 0.0004495300000000 ] - [ 0.0027016800000000, -0.0036062300000000, 0.0016458300000000 ] - [ 0.0008845100000000, 0.0006292900000000, -0.0016312100000000 ] - [ -0.0000440500000000, -0.0000142300000000, 0.0000035800000000 ] - [ 0.0005748400000000, -0.0017926600000000, -0.0007244800000000 ] - [ -0.0020091600000000, 0.0017472200000000, 0.0000265300000000 ] - [ 0.0020842400000000, -0.0005481900000000, -0.0002943400000000 ] - [ -0.0031867900000000, 0.0010841300000000, 0.0004776100000000 ] - [ 0.0014758300000000, 0.0002234000000000, -0.0003622000000000 ] - [ 0.0046462200000000, 0.0040750500000000, 0.0003332400000000 ] - [ -0.0027899300000000, -0.0055986200000000, -0.0011974900000000 ] - [ 0.0019115300000000, -0.0002353300000000, -0.0001220600000000 ] - [ -0.0001134800000000, 0.0022065400000000, -0.0009717600000000 ] - [ 0.0001132900000000, 0.0015129100000000, -0.0001102200000000 ] - [ -0.0001363800000000, -0.0005091300000000, 0.0009481100000000 ] - [ -0.0000892900000000, -0.0025866700000000, -0.0011094600000000 ] - [ 0.0033651200000000, 0.0037989400000000, 0.0017429000000000 ] - [ -0.0039901200000000, -0.0017216600000000, 0.0013219100000000 ] - [ 0.0020498400000000, 0.0010731700000000, -0.0005964400000000 ] - [ -0.0017021800000000, -0.0007915300000000, -0.0001739700000000 ] - [ 0.0001429800000000, 0.0001393600000000, -0.0003246000000000 ] - [ -0.0041823900000000, 0.0018922500000000, 0.0000455700000000 ] - [ 0.0021743400000000, -0.0009828900000000, -0.0012308500000000 ] - [ -0.0004968000000000, -0.0007261400000000, -0.0005158000000000 ] - [ 0.0005618700000000, -0.0005505900000000, -0.0007635100000000 ] - [ 0.1030673500000000, -0.0025087500000000, -0.0038702500000000 ] - [ -0.0033185000000000, 0.0002166300000000, 0.0001874400000000 ] - [ 0.0011956300000000, 0.0002155600000000, -0.0005574900000000 ] - [ -0.0007692500000000, 0.0005777600000000, 0.0004461700000000 ] - [ 0.0050631300000000, -0.0003918200000000, 0.0012344000000000 ] - [ -0.0029235400000000, -0.0000536900000000, -0.0000947600000000 ] - [ 0.0026190400000000, 0.0009347700000000, 0.0007471700000000 ] - [ -0.0011443000000000, -0.0005878000000000, -0.0002950600000000 ] - [ -0.0006271100000000, -0.0017739200000000, -0.0011068300000000 ] - [ 0.0006941600000000, 0.0016240600000000, 0.0014991800000000 ] - [ -0.0009635300000000, 0.0016245800000000, -0.0007806000000000 ] - [ 0.0005962200000000, -0.0010090700000000, 0.0005697700000000 ] - [ -0.0040022700000000, 0.0003869300000000, 0.0028942400000000 ] - [ -0.0018036000000000, -0.0009273200000000, -0.0034163200000000 ] - [ -0.0006975200000000, 0.0000551900000000, 0.0004349600000000 ] - [ 0.0004258500000000, 0.0005878500000000, -0.0006096700000000 ] - [ -0.0179385600000000, -0.0136127400000000, -0.0020625200000000 ] - [ -0.0273268400000000, 0.0259550300000000, 0.0045316800000000 ] - [ -0.0034076600000000, 0.0017807600000000, -0.0001507900000000 ] - [ -0.0012617800000000, -0.0013483200000000, 0.0002507700000000 ] - [ 0.0097082600000000, -0.0005168900000000, -0.0008508700000000 ] - [ -0.0033805100000000, -0.0003128200000000, 0.0001237300000000 ] - [ 0.0036511200000000, 0.0008222000000000, 0.0004422300000000 ] - [ -0.0007074300000000, 0.0002532100000000, -0.0002818300000000 ] - [ 0.0037539700000000, -0.0073403200000000, 0.0033572400000000 ] - [ -0.0048757500000000, 0.0017653300000000, -0.0028031800000000 ] - [ 0.0014420500000000, 0.0064609900000000, 0.0028595400000000 ] - [ -0.0036187500000000, -0.0041704100000000, -0.0005925300000000 ] - [ 0.0052584300000000, 0.0034755700000000, -0.0241455800000000 ] - [ -0.0058652300000000, -0.0008970300000000, 0.0031725200000000 ] - [ 0.0012649700000000, 0.0018839700000000, -0.0002836200000000 ] - [ -0.0013219700000000, 0.0021972500000000, 0.0004553700000000 ]- atom: 81 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0000113300000000, 0.0011351300000000, 0.0039765600000000 ] - [ -0.0001739600000000, -0.0001858500000000, 0.0002351700000000 ] - [ -0.0001027500000000, -0.0003841000000000, 0.0003619800000000 ] - [ -0.0001957100000000, 0.0001891000000000, -0.0000327900000000 ] - [ -0.0011642400000000, -0.0001251600000000, 0.0039938300000000 ] - [ 0.0003855400000000, -0.0000304500000000, 0.0003608700000000 ] - [ 0.0001856600000000, 0.0000415300000000, 0.0002350200000000 ] - [ -0.0001887800000000, 0.0000632500000000, -0.0000329500000000 ] - [ 0.0021685000000000, -0.0011284600000000, -0.0014452800000000 ] - [ -0.0004810500000000, 0.0002861000000000, -0.0001845100000000 ] - [ 0.0019794600000000, 0.0013805400000000, -0.0004936900000000 ] - [ -0.0007728700000000, 0.0002397100000000, 0.0000218000000000 ] - [ 0.0012630200000000, -0.0021696900000000, -0.0014487600000000 ] - [ -0.0012450100000000, -0.0019751700000000, -0.0004986300000000 ] - [ -0.0001531000000000, 0.0004815500000000, -0.0001840500000000 ] - [ -0.0001055200000000, 0.0007718200000000, 0.0000220000000000 ] - [ 0.0007222900000000, -0.0204792900000000, 0.0134031400000000 ] - [ 0.0001207300000000, 0.0002535700000000, 0.0011553500000000 ] - [ -0.0010465800000000, -0.0021069100000000, -0.0004082200000000 ] - [ 0.0001371500000000, 0.0003364700000000, 0.0005767500000000 ] - [ 0.0010066000000000, -0.0022852200000000, 0.0041818000000000 ] - [ 0.0028153000000000, -0.0019137500000000, 0.0020317100000000 ] - [ 0.0008371500000000, 0.0001712200000000, 0.0045564000000000 ] - [ 0.0004695200000000, 0.0003038500000000, 0.0009520400000000 ] - [ 0.0019133900000000, -0.0015112200000000, -0.0087957600000000 ] - [ -0.0005582500000000, -0.0000036000000000, -0.0003925100000000 ] - [ -0.0003171900000000, -0.0003387900000000, -0.0003207400000000 ] - [ -0.0003761100000000, -0.0002377700000000, 0.0004030700000000 ] - [ 0.0023210400000000, -0.0001707100000000, 0.0029867100000000 ] - [ -0.0001393900000000, 0.0000007100000000, 0.0033548100000000 ] - [ 0.0019498600000000, -0.0019857200000000, 0.0008467000000000 ] - [ -0.0002679400000000, 0.0003636300000000, -0.0002347000000000 ] - [ -0.0012675400000000, -0.0028950800000000, -0.0017546300000000 ] - [ 0.0008701900000000, -0.0006759300000000, -0.0026529900000000 ] - [ 0.0001230500000000, -0.0003694300000000, 0.0009166100000000 ] - [ -0.0002015100000000, -0.0004570600000000, 0.0004770800000000 ] - [ -0.0034415400000000, 0.0021280600000000, -0.0016718500000000 ] - [ -0.0001641000000000, -0.0003344500000000, 0.0000515500000000 ] - [ -0.0015827900000000, -0.0000377000000000, -0.0008209900000000 ] - [ -0.0003627500000000, 0.0002610500000000, -0.0001842600000000 ] - [ 0.0020675900000000, 0.0012964400000000, -0.0029619800000000 ] - [ -0.0004656000000000, -0.0000885300000000, -0.0002702700000000 ] - [ -0.0001572300000000, -0.0008342700000000, -0.0038600100000000 ] - [ -0.0003761600000000, 0.0002362000000000, -0.0007103100000000 ] - [ 0.0225440800000000, -0.0007312400000000, 0.0127397800000000 ] - [ 0.0029333600000000, 0.0010081700000000, -0.0015903800000000 ] - [ 0.0005808600000000, -0.0001575800000000, -0.0000288000000000 ] - [ 0.0004981500000000, -0.0001705100000000, -0.0006088700000000 ] - [ -0.0009074700000000, 0.0008330700000000, -0.0035659900000000 ] - [ 0.0003324300000000, 0.0000464200000000, 0.0001327200000000 ] - [ -0.0006092600000000, -0.0013959300000000, -0.0003578800000000 ] - [ -0.0002823400000000, -0.0012814000000000, 0.0000212400000000 ] - [ -0.0011615400000000, -0.0000199400000000, 0.0011315400000000 ] - [ -0.0176602900000000, -0.0078419300000000, 0.0189678400000000 ] - [ 0.0013398100000000, -0.0007456900000000, 0.0004857100000000 ] - [ 0.0000234500000000, -0.0000862600000000, 0.0005669100000000 ] - [ -0.0018575800000000, 0.0020924200000000, -0.0022282700000000 ] - [ 0.0003237500000000, 0.0002298100000000, -0.0013803400000000 ] - [ 0.0006138900000000, -0.0011887800000000, -0.0005097500000000 ] - [ 0.0000202800000000, -0.0009880800000000, -0.0007444200000000 ] - [ -0.0002603500000000, 0.0025127900000000, 0.0005702900000000 ] - [ 0.0004637800000000, 0.0000118500000000, -0.0000766700000000 ] - [ 0.0075910800000000, 0.0180303400000000, 0.0182078700000000 ] - [ -0.0001929600000000, 0.0013296300000000, 0.0000054500000000 ] - [ -0.0005861900000000, -0.0023720000000000, -0.0002005900000000 ] - [ -0.0013731100000000, -0.0035606600000000, 0.0002786100000000 ] - [ 0.0013749300000000, 0.0009207800000000, 0.0002622900000000 ] - [ 0.0006751800000000, 0.0014614600000000, 0.0005799200000000 ] - [ 0.0026490500000000, 0.0019381900000000, 0.0003580800000000 ] - [ -0.0006395600000000, -0.0000218200000000, 0.0008209900000000 ] - [ 0.0038551300000000, 0.0027366700000000, 0.0008338900000000 ] - [ -0.0011829200000000, 0.0006767800000000, 0.0011354300000000 ] - [ -0.0021926500000000, 0.0005919000000000, -0.0041215300000000 ] - [ 0.0000382600000000, 0.0003274100000000, -0.0009201600000000 ] - [ -0.0013984400000000, -0.0006135100000000, -0.0004282900000000 ] - [ -0.0000709800000000, 0.0000024100000000, -0.0005405200000000 ] - [ 0.0014698000000000, -0.0027612400000000, -0.0100158200000000 ] - [ 0.0003016400000000, -0.0005184700000000, -0.0015054400000000 ] - [ -0.0000311800000000, -0.0002750300000000, -0.0015801400000000 ] - [ 0.0002025300000000, -0.0004566100000000, -0.0007839800000000 ] - [ 0.0017401000000000, -0.0017770900000000, -0.0928472000000000 ] - [ -0.0000241400000000, -0.0003988800000000, -0.0011547000000000 ] - [ 0.0007148900000000, 0.0003425500000000, -0.0011556300000000 ] - [ -0.0002862100000000, 0.0006027600000000, 0.0000828900000000 ] - [ 0.0013925400000000, 0.0027659900000000, 0.0016439200000000 ] - [ 0.0000640100000000, 0.0002781800000000, 0.0006969300000000 ] - [ 0.0009062900000000, -0.0035694100000000, -0.0006197800000000 ] - [ -0.0001373100000000, -0.0007664400000000, -0.0003100500000000 ] - [ -0.0012620500000000, 0.0009492000000000, 0.0013105400000000 ] - [ 0.0013383200000000, 0.0006219700000000, 0.0013920000000000 ] - [ -0.0009380700000000, -0.0016602800000000, 0.0013967800000000 ] - [ 0.0004117800000000, -0.0007300100000000, 0.0007752700000000 ] - [ -0.0030573200000000, -0.0010810400000000, 0.0016586300000000 ] - [ 0.0032338100000000, -0.0005892000000000, -0.0006072800000000 ] - [ -0.0005937900000000, 0.0002544300000000, 0.0006978100000000 ] - [ 0.0004498800000000, 0.0004543000000000, -0.0003094500000000 ] - [ 0.0065352200000000, 0.0103406200000000, -0.0047594600000000 ] - [ -0.0151140500000000, 0.0149311700000000, -0.0021877300000000 ] - [ -0.0028603500000000, 0.0001863100000000, -0.0021697500000000 ] - [ -0.0014019600000000, -0.0007653700000000, -0.0004518200000000 ] - [ 0.0023187900000000, -0.0046266100000000, 0.0285273800000000 ] - [ 0.0006961200000000, -0.0000640300000000, 0.0005266800000000 ] - [ 0.0028378400000000, 0.0014548800000000, 0.0030031300000000 ] - [ 0.0008015800000000, -0.0001550400000000, 0.0003381700000000 ] - [ -0.0103533700000000, -0.0096303700000000, -0.0047498200000000 ] - [ -0.0001841900000000, -0.0002233000000000, -0.0021657700000000 ] - [ -0.0149721600000000, 0.0120584100000000, -0.0021622100000000 ] - [ 0.0007645700000000, -0.0016796500000000, -0.0004501300000000 ] - [ 0.0047670200000000, 0.0007784700000000, 0.0285432900000000 ] - [ -0.0014544900000000, 0.0002498800000000, 0.0029931100000000 ] - [ 0.0000691500000000, 0.0023883300000000, 0.0005255900000000 ] - [ 0.0001558700000000, 0.0022802500000000, 0.0003368700000000 ]- atom: 97 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0006931400000000, 0.0009713700000000, -0.0006873100000000 ] - [ -0.0007051000000000, -0.0006721600000000, -0.0001145500000000 ] - [ 0.0006931400000000, -0.0009713700000000, 0.0006873100000000 ] - [ -0.0007051000000000, 0.0006721600000000, 0.0001145500000000 ] - [ 0.0031732400000000, 0.0004305300000000, 0.0003976800000000 ] - [ -0.0031920100000000, -0.0057306600000000, 0.0128124800000000 ] - [ 0.0015105100000000, -0.0002867400000000, 0.0002775100000000 ] - [ -0.0015601700000000, 0.0011795100000000, 0.0006468900000000 ] - [ 0.0031732400000000, -0.0004305300000000, -0.0003976800000000 ] - [ -0.0031920100000000, 0.0057306600000000, -0.0128124800000000 ] - [ 0.0015105100000000, 0.0002867400000000, -0.0002775100000000 ] - [ -0.0015601700000000, -0.0011795100000000, -0.0006468900000000 ] - [ -0.0122212400000000, -0.0038823700000000, 0.0018595700000000 ] - [ 0.0016673300000000, -0.0001138800000000, -0.0001961700000000 ] - [ -0.0122212400000000, 0.0038823700000000, -0.0018595700000000 ] - [ 0.0016673300000000, 0.0001138800000000, 0.0001961700000000 ] - [ -0.0035701000000000, 0.0010112400000000, -0.0061551000000000 ] - [ -0.0057669800000000, -0.0026007300000000, 0.0101681100000000 ] - [ -0.0005040700000000, 0.0005781900000000, 0.0003612800000000 ] - [ 0.0006300100000000, 0.0007615400000000, 0.0012738000000000 ] - [ 0.0210225800000000, -0.0046420600000000, -0.0150624700000000 ] - [ -0.0087376000000000, 0.0011032100000000, 0.0029265300000000 ] - [ 0.0025891900000000, -0.0029285400000000, -0.0000882000000000 ] - [ -0.0010858200000000, 0.0013363000000000, 0.0001568900000000 ] - [ 0.0008584100000000, 0.0018531300000000, 0.0070497500000000 ] - [ -0.0030566800000000, 0.0010194800000000, -0.0010480200000000 ] - [ -0.0003411600000000, 0.0009999500000000, 0.0003556900000000 ] - [ -0.0005360200000000, -0.0010290000000000, -0.0003949200000000 ] - [ 0.0277511000000000, -0.0033464800000000, 0.0282946500000000 ] - [ -0.0043168900000000, 0.0017708400000000, -0.0012024800000000 ] - [ 0.0018836800000000, 0.0000030000000000, 0.0005799400000000 ] - [ -0.0017751000000000, 0.0014682900000000, -0.0011008100000000 ] - [ 0.0277511000000000, 0.0033464800000000, -0.0282946500000000 ] - [ -0.0043168900000000, -0.0017708400000000, 0.0012024800000000 ] - [ 0.0018836800000000, -0.0000030000000000, -0.0005799400000000 ] - [ -0.0017751000000000, -0.0014682900000000, 0.0011008100000000 ] - [ -0.0058513100000000, 0.0032323600000000, -0.0003380900000000 ] - [ 0.0053067600000000, -0.0027482900000000, 0.0008285600000000 ] - [ -0.0029514200000000, 0.0003534200000000, 0.0000395400000000 ] - [ 0.0020082800000000, -0.0006168200000000, 0.0009842700000000 ] - [ 0.0008584100000000, -0.0018531300000000, -0.0070497500000000 ] - [ -0.0030566800000000, -0.0010194800000000, 0.0010480200000000 ] - [ -0.0003411600000000, -0.0009999500000000, -0.0003556900000000 ] - [ -0.0005360200000000, 0.0010290000000000, 0.0003949200000000 ] - [ 0.0210225800000000, 0.0046420600000000, 0.0150624700000000 ] - [ -0.0087376000000000, -0.0011032100000000, -0.0029265300000000 ] - [ 0.0025891900000000, 0.0029285400000000, 0.0000882000000000 ] - [ -0.0010858200000000, -0.0013363000000000, -0.0001568900000000 ] - [ -0.0041427800000000, -0.0051834000000000, 0.0022785800000000 ] - [ -0.0028262600000000, 0.0013108600000000, -0.0017723600000000 ] - [ 0.0006339000000000, 0.0042699400000000, 0.0021210700000000 ] - [ -0.0053734500000000, -0.0081439400000000, -0.0035990400000000 ] - [ 0.0907025200000000, -0.0896781800000000, 0.0024139500000000 ] - [ -0.0083144000000000, 0.0028168400000000, 0.0010148400000000 ] - [ 0.0040607500000000, -0.0047097200000000, 0.0004343700000000 ] - [ -0.0021927100000000, 0.0014574200000000, 0.0007418200000000 ] - [ 0.0122110600000000, -0.0072178000000000, 0.0005620900000000 ] - [ -0.0045233800000000, 0.0016056700000000, -0.0008944500000000 ] - [ 0.0055991400000000, -0.0015314300000000, -0.0016990900000000 ] - [ -0.0027083100000000, 0.0002831500000000, -0.0006381200000000 ] - [ -0.0041427800000000, 0.0051834000000000, -0.0022785800000000 ] - [ -0.0028262600000000, -0.0013108600000000, 0.0017723600000000 ] - [ 0.0006339000000000, -0.0042699400000000, -0.0021210700000000 ] - [ -0.0053734500000000, 0.0081439400000000, 0.0035990400000000 ] - [ 0.0907025200000000, 0.0896781800000000, -0.0024139500000000 ] - [ -0.0083144000000000, -0.0028168400000000, -0.0010148400000000 ] - [ 0.0040607500000000, 0.0047097200000000, -0.0004343700000000 ] - [ -0.0021927100000000, -0.0014574200000000, -0.0007418200000000 ] - [ 0.0122110600000000, 0.0072178000000000, -0.0005620900000000 ] - [ -0.0045233800000000, -0.0016056700000000, 0.0008944500000000 ] - [ 0.0055991400000000, 0.0015314300000000, 0.0016990900000000 ] - [ -0.0027083100000000, -0.0002831500000000, 0.0006381200000000 ] - [ -0.0058513100000000, -0.0032323600000000, 0.0003380900000000 ] - [ 0.0053067600000000, 0.0027482900000000, -0.0008285600000000 ] - [ -0.0029514200000000, -0.0003534200000000, -0.0000395400000000 ] - [ 0.0020082800000000, 0.0006168200000000, -0.0009842700000000 ] - [ -0.0035701000000000, -0.0010112400000000, 0.0061551000000000 ] - [ -0.0057669800000000, 0.0026007300000000, -0.0101681100000000 ] - [ -0.0005040700000000, -0.0005781900000000, -0.0003612800000000 ] - [ 0.0006300100000000, -0.0007615400000000, -0.0012738000000000 ] - [ 0.0164789700000000, 0.0059161900000000, 0.0080099900000000 ] - [ 0.0258768800000000, -0.0078678600000000, -0.0135685800000000 ] - [ 0.0020194600000000, -0.0031331800000000, -0.0013166100000000 ] - [ -0.0001194200000000, 0.0027711500000000, 0.0001409100000000 ] - [ 0.0164789700000000, -0.0059161900000000, -0.0080099900000000 ] - [ 0.0258768800000000, 0.0078678600000000, 0.0135685800000000 ] - [ 0.0020194600000000, 0.0031331800000000, 0.0013166100000000 ] - [ -0.0001194200000000, -0.0027711500000000, -0.0001409100000000 ] - [ -0.0082829900000000, -0.0021190700000000, -0.0008064300000000 ] - [ 0.0047473200000000, -0.0005001000000000, 0.0008437000000000 ] - [ -0.0022606500000000, 0.0022728000000000, -0.0012920000000000 ] - [ 0.0020788600000000, -0.0008188300000000, 0.0007378800000000 ] - [ -0.0082829900000000, 0.0021190700000000, 0.0008064300000000 ] - [ 0.0047473200000000, 0.0005001000000000, -0.0008437000000000 ] - [ -0.0022606500000000, -0.0022728000000000, 0.0012920000000000 ] - [ 0.0020788600000000, 0.0008188300000000, -0.0007378800000000 ] - [ -0.3105624400000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0163307800000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0108842300000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0041143600000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0093203400000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0044680000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0046185700000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0023534500000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0031213200000000, -0.0176035500000000, 0.0480160300000000 ] - [ 0.0122928500000000, 0.0021893000000000, -0.0040885200000000 ] - [ -0.0054105000000000, 0.0021619400000000, 0.0007692800000000 ] - [ 0.0065939100000000, -0.0064464900000000, -0.0005732000000000 ] - [ -0.0031213200000000, 0.0176035500000000, -0.0480160300000000 ] - [ 0.0122928500000000, -0.0021893000000000, 0.0040885200000000 ] - [ -0.0054105000000000, -0.0021619400000000, -0.0007692800000000 ] - [ 0.0065939100000000, 0.0064464900000000, 0.0005732000000000 ]- atom: 97 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0008310600000000, -0.0009783800000000, 0.0006873200000000 ] - [ 0.0005685300000000, 0.0006775000000000, 0.0001162800000000 ] - [ -0.0008310600000000, 0.0009783800000000, -0.0006873200000000 ] - [ 0.0005685300000000, -0.0006775000000000, -0.0001162800000000 ] - [ -0.0031899200000000, -0.0005749000000000, -0.0003952900000000 ] - [ 0.0031629900000000, 0.0055737300000000, -0.0128017200000000 ] - [ -0.0015196800000000, 0.0001549100000000, -0.0002785800000000 ] - [ 0.0015654500000000, -0.0013249100000000, -0.0006528700000000 ] - [ -0.0031899200000000, 0.0005749000000000, 0.0003952900000000 ] - [ 0.0031629900000000, -0.0055737300000000, 0.0128017200000000 ] - [ -0.0015196800000000, -0.0001549100000000, 0.0002785800000000 ] - [ 0.0015654500000000, 0.0013249100000000, 0.0006528700000000 ] - [ 0.0124410200000000, 0.0039065800000000, -0.0018771900000000 ] - [ -0.0015427600000000, 0.0001089800000000, 0.0001969300000000 ] - [ 0.0124410200000000, -0.0039065800000000, 0.0018771900000000 ] - [ -0.0015427600000000, -0.0001089800000000, -0.0001969300000000 ] - [ 0.0035252900000000, -0.0001877300000000, 0.0074040300000000 ] - [ 0.0057137600000000, 0.0034650000000000, -0.0089603200000000 ] - [ 0.0004677200000000, 0.0002590300000000, 0.0008111300000000 ] - [ -0.0006688100000000, 0.0000782000000000, -0.0001052100000000 ] - [ -0.0211337000000000, 0.0057275100000000, 0.0162465200000000 ] - [ 0.0096618600000000, -0.0010806400000000, -0.0017751600000000 ] - [ -0.0017674500000000, 0.0029867400000000, 0.0012671500000000 ] - [ 0.0019357600000000, -0.0013054900000000, 0.0010155700000000 ] - [ -0.0017281300000000, -0.0019036800000000, -0.0059232900000000 ] - [ 0.0022368400000000, -0.0010538300000000, 0.0022258800000000 ] - [ -0.0005015900000000, -0.0010419400000000, 0.0008153100000000 ] - [ -0.0003022600000000, 0.0009936000000000, 0.0015766600000000 ] - [ -0.0272664900000000, 0.0042676800000000, -0.0292499000000000 ] - [ 0.0043791400000000, -0.0009427800000000, 0.0000366600000000 ] - [ -0.0018580000000000, 0.0008403800000000, -0.0017599300000000 ] - [ 0.0018225800000000, -0.0006359900000000, -0.0000685600000000 ] - [ -0.0272664900000000, -0.0042676800000000, 0.0292499000000000 ] - [ 0.0043791400000000, 0.0009427800000000, -0.0000366600000000 ] - [ -0.0018580000000000, -0.0008403800000000, 0.0017599300000000 ] - [ 0.0018225800000000, 0.0006359900000000, 0.0000685600000000 ] - [ 0.0045196400000000, -0.0029549000000000, 0.0009000800000000 ] - [ -0.0066299600000000, 0.0030436500000000, -0.0002613100000000 ] - [ 0.0016035300000000, -0.0000530200000000, 0.0005236300000000 ] - [ -0.0033819500000000, 0.0009182600000000, -0.0004278900000000 ] - [ -0.0017281300000000, 0.0019036800000000, 0.0059232900000000 ] - [ 0.0022368400000000, 0.0010538300000000, -0.0022258800000000 ] - [ -0.0005015900000000, 0.0010419400000000, -0.0008153100000000 ] - [ -0.0003022600000000, -0.0009936000000000, -0.0015766600000000 ] - [ -0.0211337000000000, -0.0057275100000000, -0.0162465200000000 ] - [ 0.0096618600000000, 0.0010806400000000, 0.0017751600000000 ] - [ -0.0017674500000000, -0.0029867400000000, -0.0012671500000000 ] - [ 0.0019357600000000, 0.0013054900000000, -0.0010155700000000 ] - [ 0.0038133000000000, 0.0038207700000000, -0.0017355300000000 ] - [ 0.0025512100000000, -0.0026654000000000, 0.0023433800000000 ] - [ -0.0009520300000000, -0.0056922700000000, -0.0015836400000000 ] - [ 0.0051131300000000, 0.0068241000000000, 0.0041851300000000 ] - [ -0.0866238100000000, 0.0850255300000000, -0.0019059000000000 ] - [ 0.0097726700000000, -0.0031360900000000, -0.0004623100000000 ] - [ -0.0027173500000000, 0.0044393200000000, 0.0001253400000000 ] - [ 0.0035679400000000, -0.0017665700000000, -0.0001826500000000 ] - [ -0.0119859400000000, 0.0058742200000000, -0.0011467400000000 ] - [ 0.0048406000000000, -0.0029707100000000, 0.0003359800000000 ] - [ -0.0053514400000000, 0.0002102700000000, 0.0011403500000000 ] - [ 0.0030290300000000, -0.0016570900000000, 0.0000784400000000 ] - [ 0.0038133000000000, -0.0038207700000000, 0.0017355300000000 ] - [ 0.0025512100000000, 0.0026654000000000, -0.0023433800000000 ] - [ -0.0009520300000000, 0.0056922700000000, 0.0015836400000000 ] - [ 0.0051131300000000, -0.0068241000000000, -0.0041851300000000 ] - [ -0.0866238100000000, -0.0850255300000000, 0.0019059000000000 ] - [ 0.0097726700000000, 0.0031360900000000, 0.0004623100000000 ] - [ -0.0027173500000000, -0.0044393200000000, -0.0001253400000000 ] - [ 0.0035679400000000, 0.0017665700000000, 0.0001826500000000 ] - [ -0.0119859400000000, -0.0058742200000000, 0.0011467400000000 ] - [ 0.0048406000000000, 0.0029707100000000, -0.0003359800000000 ] - [ -0.0053514400000000, -0.0002102700000000, -0.0011403500000000 ] - [ 0.0030290300000000, 0.0016570900000000, -0.0000784400000000 ] - [ 0.0045196400000000, 0.0029549000000000, -0.0009000800000000 ] - [ -0.0066299600000000, -0.0030436500000000, 0.0002613100000000 ] - [ 0.0016035300000000, 0.0000530200000000, -0.0005236300000000 ] - [ -0.0033819500000000, -0.0009182600000000, 0.0004278900000000 ] - [ 0.0035252900000000, 0.0001877300000000, -0.0074040300000000 ] - [ 0.0057137600000000, -0.0034650000000000, 0.0089603200000000 ] - [ 0.0004677200000000, -0.0002590300000000, -0.0008111300000000 ] - [ -0.0006688100000000, -0.0000782000000000, 0.0001052100000000 ] - [ -0.0163763100000000, -0.0056911100000000, -0.0081550800000000 ] - [ -0.0256010900000000, 0.0081130300000000, 0.0136036800000000 ] - [ -0.0017153600000000, 0.0034585600000000, 0.0013195100000000 ] - [ 0.0004271800000000, -0.0024745300000000, -0.0001368100000000 ] - [ -0.0163763100000000, 0.0056911100000000, 0.0081550800000000 ] - [ -0.0256010900000000, -0.0081130300000000, -0.0136036800000000 ] - [ -0.0017153600000000, -0.0034585600000000, -0.0013195100000000 ] - [ 0.0004271800000000, 0.0024745300000000, 0.0001368100000000 ] - [ 0.0080465900000000, 0.0017393900000000, 0.0007328100000000 ] - [ -0.0050855800000000, 0.0001951200000000, -0.0008461400000000 ] - [ 0.0019592300000000, -0.0025969800000000, 0.0012945500000000 ] - [ -0.0024024100000000, 0.0005056900000000, -0.0007399000000000 ] - [ 0.0080465900000000, -0.0017393900000000, -0.0007328100000000 ] - [ -0.0050855800000000, -0.0001951200000000, 0.0008461400000000 ] - [ 0.0019592300000000, 0.0025969800000000, -0.0012945500000000 ] - [ -0.0024024100000000, -0.0005056900000000, 0.0007399000000000 ] - [ 0.3029019700000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0195974100000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0078454200000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0072388300000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0062530100000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0074717200000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0015372600000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0054608300000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0033721300000000, 0.0145605600000000, -0.0484980800000000 ] - [ -0.0123376900000000, -0.0052594400000000, 0.0041130400000000 ] - [ 0.0054843500000000, -0.0052865300000000, -0.0007772000000000 ] - [ -0.0066374500000000, 0.0033749900000000, 0.0005816500000000 ] - [ 0.0033721300000000, -0.0145605600000000, 0.0484980800000000 ] - [ -0.0123376900000000, 0.0052594400000000, -0.0041130400000000 ] - [ 0.0054843500000000, 0.0052865300000000, 0.0007772000000000 ] - [ -0.0066374500000000, -0.0033749900000000, -0.0005816500000000 ]- atom: 97 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0010516400000000, 0.0002264600000000, -0.0006814600000000 ] - [ -0.0001963000000000, 0.0000268900000000, 0.0001376700000000 ] - [ -0.0011811000000000, 0.0002242500000000, -0.0006749300000000 ] - [ 0.0000680200000000, 0.0000162700000000, 0.0001385800000000 ] - [ 0.0011583300000000, -0.0011096700000000, -0.0005169500000000 ] - [ -0.0045967600000000, 0.0019257300000000, -0.0150914500000000 ] - [ -0.0004821200000000, 0.0006703500000000, 0.0000585400000000 ] - [ 0.0004053400000000, 0.0023171400000000, 0.0009596500000000 ] - [ -0.0011635600000000, -0.0009771300000000, -0.0005134900000000 ] - [ 0.0046453600000000, 0.0020329400000000, -0.0152165200000000 ] - [ 0.0004736500000000, 0.0007990300000000, 0.0000601200000000 ] - [ -0.0003948200000000, 0.0024461400000000, 0.0009514800000000 ] - [ 0.0032556600000000, 0.0213993000000000, 0.0004479300000000 ] - [ -0.0001641900000000, 0.0005471400000000, 0.0001181500000000 ] - [ -0.0031446500000000, 0.0217113100000000, 0.0004370600000000 ] - [ 0.0002899400000000, 0.0005388300000000, 0.0001149900000000 ] - [ 0.0034378200000000, 0.0105100200000000, 0.0024843400000000 ] - [ 0.0011494400000000, 0.0094773000000000, -0.0024915900000000 ] - [ -0.0015444900000000, -0.0036643200000000, 0.0002225400000000 ] - [ -0.0006172300000000, -0.0020119800000000, 0.0004940600000000 ] - [ 0.0068087000000000, 0.0098026800000000, 0.0189131000000000 ] - [ -0.0066541000000000, 0.0022367700000000, 0.0033763100000000 ] - [ 0.0013081500000000, -0.0058505900000000, 0.0011492700000000 ] - [ 0.0015452100000000, -0.0017788700000000, 0.0014027800000000 ] - [ -0.0033911200000000, 0.0067545000000000, 0.0102697600000000 ] - [ -0.0014060600000000, 0.0021072600000000, 0.0015707300000000 ] - [ 0.0012973300000000, -0.0035740900000000, -0.0005925600000000 ] - [ -0.0000947400000000, -0.0017826500000000, -0.0008893200000000 ] - [ -0.0012724300000000, 0.0224313300000000, -0.0031571000000000 ] - [ -0.0008600800000000, 0.0030508700000000, -0.0004559500000000 ] - [ 0.0012749400000000, -0.0040829700000000, -0.0007042200000000 ] - [ 0.0009863600000000, -0.0018219400000000, -0.0003381500000000 ] - [ 0.0016637000000000, 0.0215907400000000, -0.0026837800000000 ] - [ 0.0009001700000000, 0.0022084200000000, 0.0007205900000000 ] - [ -0.0012486000000000, -0.0049344100000000, 0.0004615900000000 ] - [ -0.0009559100000000, -0.0026608600000000, 0.0008377500000000 ] - [ -0.0009227800000000, 0.0027470000000000, 0.0007462500000000 ] - [ -0.0024953000000000, 0.0037164300000000, 0.0011121500000000 ] - [ -0.0002434500000000, -0.0021146200000000, 0.0002641700000000 ] - [ 0.0016360900000000, -0.0031279400000000, 0.0006414000000000 ] - [ 0.0025497400000000, 0.0067879400000000, 0.0091168200000000 ] - [ 0.0005811200000000, 0.0021476600000000, 0.0003914500000000 ] - [ -0.0021392000000000, -0.0035375000000000, -0.0017575000000000 ] - [ -0.0007504400000000, -0.0017612400000000, -0.0020685500000000 ] - [ -0.0066974100000000, 0.0089997900000000, 0.0177168000000000 ] - [ 0.0075598700000000, 0.0021999900000000, 0.0022313900000000 ] - [ -0.0004500000000000, -0.0058882300000000, -0.0000258500000000 ] - [ -0.0006898600000000, -0.0018003200000000, 0.0002334600000000 ] - [ -0.0050466800000000, -0.0042813000000000, 0.0036805700000000 ] - [ 0.0048047200000000, -0.0007814200000000, 0.0028478400000000 ] - [ 0.0006462900000000, -0.0039075400000000, -0.0020777100000000 ] - [ -0.0064651300000000, -0.0075672700000000, -0.0039466100000000 ] - [ -0.0821988900000000, 0.1213805200000000, -0.0019878600000000 ] - [ -0.0053829100000000, 0.0042658700000000, 0.0002307800000000 ] - [ 0.0023355300000000, -0.0093589300000000, 0.0004819600000000 ] - [ 0.0024472900000000, -0.0025588800000000, 0.0001244600000000 ] - [ -0.0005025200000000, -0.0053663800000000, 0.0066436100000000 ] - [ 0.0003969700000000, -0.0011396700000000, 0.0000858400000000 ] - [ 0.0049992500000000, -0.0064440600000000, -0.0057603500000000 ] - [ -0.0005556700000000, -0.0003262000000000, -0.0006368500000000 ] - [ 0.0047067600000000, -0.0029088300000000, 0.0030957000000000 ] - [ -0.0051318800000000, 0.0005538300000000, 0.0022631100000000 ] - [ -0.0009319700000000, -0.0025709200000000, -0.0026607800000000 ] - [ 0.0061620300000000, -0.0062684600000000, -0.0045438800000000 ] - [ 0.0887878000000000, 0.1264181300000000, -0.0025855800000000 ] - [ 0.0067434900000000, 0.0045825000000000, -0.0003544700000000 ] - [ -0.0010311700000000, -0.0090215200000000, -0.0001203100000000 ] - [ -0.0011129600000000, -0.0022586900000000, -0.0004694200000000 ] - [ 0.0008576700000000, -0.0039905600000000, 0.0072867100000000 ] - [ -0.0000818800000000, 0.0002083100000000, 0.0006679700000000 ] - [ -0.0046780600000000, -0.0051036800000000, -0.0051099300000000 ] - [ 0.0008582900000000, 0.0009943200000000, -0.0000462300000000 ] - [ -0.0003917800000000, 0.0024467700000000, 0.0001531000000000 ] - [ 0.0011741800000000, 0.0033874900000000, 0.0005161900000000 ] - [ -0.0010744500000000, -0.0024073900000000, -0.0003273900000000 ] - [ -0.0029745400000000, -0.0034310200000000, 0.0000500300000000 ] - [ -0.0034623700000000, 0.0096719400000000, 0.0012823600000000 ] - [ -0.0011523500000000, 0.0086067300000000, -0.0036436600000000 ] - [ 0.0015278200000000, -0.0045176800000000, -0.0009581500000000 ] - [ 0.0005828100000000, -0.0028655800000000, -0.0006737100000000 ] - [ 0.0137447700000000, -0.0036228400000000, 0.0103314300000000 ] - [ -0.0257225200000000, -0.0013074000000000, 0.0149435300000000 ] - [ -0.0016299600000000, 0.0050247700000000, 0.0001814300000000 ] - [ 0.0015142500000000, 0.0037616800000000, -0.0007702900000000 ] - [ -0.0135086700000000, -0.0039508800000000, 0.0103615200000000 ] - [ 0.0261205900000000, -0.0016956200000000, 0.0149592300000000 ] - [ 0.0019330400000000, 0.0047167900000000, 0.0001876300000000 ] - [ -0.0011739000000000, 0.0034505000000000, -0.0007601300000000 ] - [ 0.0003755000000000, -0.0054684500000000, 0.0046812200000000 ] - [ 0.0001467500000000, -0.0014281300000000, 0.0000665500000000 ] - [ -0.0009736900000000, 0.0057032400000000, -0.0014510400000000 ] - [ -0.0004159700000000, 0.0011674400000000, 0.0001533300000000 ] - [ -0.0006549600000000, -0.0050588700000000, 0.0047099500000000 ] - [ -0.0004834500000000, -0.0011038500000000, 0.0000663100000000 ] - [ 0.0006629700000000, 0.0060273600000000, -0.0014577300000000 ] - [ 0.0000903300000000, 0.0014793800000000, 0.0001581300000000 ] - [ -0.0065531000000000, -0.3471392300000000, 0.0320105400000000 ] - [ -0.0015964300000000, -0.0142539200000000, 0.0017692400000000 ] - [ -0.0015675000000000, 0.0169761400000000, -0.0012060700000000 ] - [ -0.0015635100000000, 0.0058308300000000, -0.0014739200000000 ] - [ 0.0015501700000000, -0.0118806400000000, -0.0031046000000000 ] - [ 0.0015372800000000, -0.0072693200000000, 0.0032664900000000 ] - [ 0.0015436400000000, 0.0077936300000000, 0.0015793000000000 ] - [ 0.0015715300000000, 0.0071613300000000, 0.0010760600000000 ] - [ -0.0162347200000000, -0.0048779200000000, -0.0543955000000000 ] - [ 0.0036538600000000, -0.0070315800000000, -0.0060798700000000 ] - [ 0.0036438600000000, 0.0107372300000000, 0.0025562600000000 ] - [ -0.0050852200000000, 0.0050669000000000, 0.0009455300000000 ] - [ 0.0161905100000000, -0.0016180900000000, -0.0541571100000000 ] - [ -0.0036710500000000, -0.0038634400000000, -0.0060988500000000 ] - [ -0.0036804600000000, 0.0138961100000000, 0.0025777800000000 ] - [ 0.0050904800000000, 0.0081653000000000, 0.0009448300000000 ]- atom: 97 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0002759200000000, -0.0002391000000000, 0.0012651300000000 ] - [ -0.0001005500000000, 0.0001522800000000, 0.0004660100000000 ] - [ 0.0001460900000000, -0.0002337500000000, 0.0012590900000000 ] - [ -0.0000206800000000, 0.0001594200000000, 0.0004649700000000 ] - [ -0.0012470700000000, 0.0003101000000000, -0.0001074300000000 ] - [ 0.0116134800000000, -0.0116091700000000, 0.0049855500000000 ] - [ -0.0001950100000000, -0.0000224100000000, -0.0000212600000000 ] - [ 0.0006628300000000, 0.0004368200000000, 0.0000234100000000 ] - [ 0.0012345300000000, 0.0004398200000000, -0.0001069400000000 ] - [ -0.0114814300000000, -0.0113063200000000, 0.0050057000000000 ] - [ 0.0001889800000000, 0.0001024400000000, -0.0000205200000000 ] - [ -0.0006541500000000, 0.0005710700000000, 0.0000285000000000 ] - [ 0.0006223900000000, -0.0000771600000000, -0.0043646300000000 ] - [ -0.0000870100000000, -0.0000335800000000, -0.0002766500000000 ] - [ -0.0004385200000000, -0.0001616700000000, -0.0043675900000000 ] - [ 0.0002101400000000, -0.0000348300000000, -0.0002767100000000 ] - [ -0.0099630600000000, -0.0011032500000000, -0.0059247600000000 ] - [ 0.0040547400000000, 0.0003269300000000, -0.0025848200000000 ] - [ -0.0005358800000000, 0.0005403100000000, -0.0005450000000000 ] - [ 0.0000107400000000, 0.0005006200000000, 0.0003341300000000 ] - [ 0.0019882800000000, -0.0010214900000000, 0.0206158700000000 ] - [ 0.0004733500000000, -0.0001980800000000, 0.0016198800000000 ] - [ -0.0000418100000000, 0.0005682100000000, 0.0033600100000000 ] - [ 0.0003630400000000, 0.0001201800000000, 0.0009705700000000 ] - [ -0.0007443800000000, -0.0007183200000000, -0.0137392100000000 ] - [ -0.0003203300000000, -0.0000306200000000, -0.0007594600000000 ] - [ -0.0006799800000000, 0.0004319500000000, -0.0020351600000000 ] - [ -0.0005190700000000, 0.0000658200000000, 0.0001847800000000 ] - [ -0.0019159100000000, 0.0052204900000000, 0.0786601500000000 ] - [ 0.0003456800000000, -0.0000441100000000, -0.0000122600000000 ] - [ 0.0003129400000000, 0.0007646000000000, 0.0008721800000000 ] - [ 0.0000955400000000, 0.0004679500000000, -0.0003519900000000 ] - [ 0.0006535400000000, 0.0037195800000000, 0.0870821100000000 ] - [ -0.0002984900000000, -0.0008724800000000, 0.0011796900000000 ] - [ -0.0002841100000000, -0.0000792400000000, 0.0020644500000000 ] - [ -0.0000519300000000, -0.0003576900000000, 0.0008386300000000 ] - [ -0.0011592600000000, -0.0004955500000000, -0.0014635900000000 ] - [ -0.0043998200000000, 0.0007430700000000, -0.0093134400000000 ] - [ -0.0008221400000000, 0.0008798500000000, -0.0003508800000000 ] - [ -0.0014639100000000, 0.0007935700000000, -0.0007251600000000 ] - [ -0.0000732500000000, -0.0007003400000000, -0.0149815200000000 ] - [ -0.0005149900000000, -0.0000031500000000, -0.0019637200000000 ] - [ -0.0001592000000000, 0.0004759200000000, -0.0032262400000000 ] - [ -0.0003100700000000, 0.0000962200000000, -0.0010104400000000 ] - [ -0.0005774500000000, -0.0004960000000000, 0.0192747700000000 ] - [ 0.0003912600000000, -0.0002309500000000, 0.0004384600000000 ] - [ 0.0008648800000000, 0.0005207600000000, 0.0021696500000000 ] - [ 0.0004802500000000, 0.0000894900000000, -0.0002256900000000 ] - [ 0.0104913700000000, 0.0057712700000000, 0.0010788600000000 ] - [ -0.0016178200000000, -0.0001105000000000, 0.0000956900000000 ] - [ 0.0009941900000000, 0.0003913000000000, 0.0008854300000000 ] - [ -0.0010955900000000, -0.0015992900000000, 0.0000965600000000 ] - [ -0.0024589000000000, 0.0051631600000000, 0.0153030100000000 ] - [ 0.0017050000000000, -0.0010285900000000, 0.0012857800000000 ] - [ 0.0004640100000000, 0.0005054100000000, 0.0012190600000000 ] - [ -0.0002362900000000, 0.0007675900000000, 0.0010787100000000 ] - [ -0.0002922800000000, 0.0092314900000000, -0.0017895000000000 ] - [ 0.0002419500000000, -0.0004331300000000, -0.0003536900000000 ] - [ 0.0038300400000000, -0.0101890300000000, 0.0001997800000000 ] - [ -0.0000697900000000, -0.0004857100000000, -0.0003450400000000 ] - [ -0.0107936100000000, 0.0071040200000000, 0.0005419000000000 ] - [ 0.0013449600000000, 0.0012322700000000, -0.0005018200000000 ] - [ -0.0012867300000000, 0.0017424800000000, 0.0003114400000000 ] - [ 0.0008318700000000, -0.0002931000000000, -0.0005002200000000 ] - [ 0.0029863500000000, 0.0046198400000000, 0.0143610100000000 ] - [ -0.0003323900000000, -0.0007237100000000, 0.0007108600000000 ] - [ 0.0008659500000000, 0.0007777700000000, 0.0006406200000000 ] - [ 0.0015906300000000, 0.0010669900000000, 0.0005046500000000 ] - [ 0.0005875800000000, 0.0105780500000000, -0.0012395600000000 ] - [ 0.0000653100000000, 0.0009172800000000, 0.0002175500000000 ] - [ -0.0035483500000000, -0.0088082000000000, 0.0007487700000000 ] - [ 0.0003735900000000, 0.0008613400000000, 0.0002300300000000 ] - [ -0.0001705600000000, -0.0007863000000000, -0.0020433800000000 ] - [ 0.0029907800000000, 0.0004425400000000, -0.0098819900000000 ] - [ -0.0005141200000000, 0.0005882500000000, -0.0009245500000000 ] - [ 0.0001153000000000, 0.0004953000000000, -0.0013020700000000 ] - [ 0.0099396200000000, -0.0019257400000000, -0.0071139600000000 ] - [ -0.0041122900000000, -0.0005280300000000, -0.0037066000000000 ] - [ 0.0005005200000000, -0.0002932400000000, -0.0017387500000000 ] - [ -0.0000479000000000, -0.0003323700000000, -0.0008527400000000 ] - [ 0.0022475800000000, 0.0035251900000000, -0.0047627000000000 ] - [ -0.0044236900000000, 0.0030422100000000, -0.0021343900000000 ] - [ 0.0003103000000000, -0.0026345800000000, -0.0021639400000000 ] - [ -0.0000896700000000, -0.0004366100000000, -0.0004506000000000 ] - [ -0.0019654600000000, 0.0032054400000000, -0.0047444100000000 ] - [ 0.0045699600000000, 0.0026810400000000, -0.0022137600000000 ] - [ 0.0000029100000000, -0.0029707200000000, -0.0021711600000000 ] - [ 0.0004078100000000, -0.0007447600000000, -0.0004502900000000 ] - [ -0.0010477200000000, 0.0240870600000000, 0.0286428500000000 ] - [ -0.0000399500000000, 0.0001261200000000, 0.0005239400000000 ] - [ 0.0002864100000000, -0.0033388500000000, 0.0029991400000000 ] - [ -0.0004451500000000, -0.0006153700000000, 0.0003370400000000 ] - [ 0.0007290300000000, 0.0241950000000000, 0.0284262900000000 ] - [ -0.0002926400000000, 0.0004414900000000, 0.0005295400000000 ] - [ -0.0005983000000000, -0.0030143800000000, 0.0030004400000000 ] - [ 0.0001171700000000, -0.0002957100000000, 0.0003390100000000 ] - [ 0.0002097700000000, 0.0320220800000000, -0.2705323500000000 ] - [ -0.0015817200000000, 0.0017697500000000, -0.0020431600000000 ] - [ -0.0015309500000000, -0.0012045000000000, -0.0039348800000000 ] - [ -0.0015604000000000, -0.0014726400000000, -0.0006628600000000 ] - [ 0.0015284500000000, 0.0031009300000000, 0.0174812800000000 ] - [ 0.0016150800000000, -0.0032648800000000, 0.0139485600000000 ] - [ 0.0015432200000000, -0.0015737600000000, 0.0027758300000000 ] - [ 0.0015591100000000, -0.0010789900000000, 0.0008271300000000 ] - [ 0.0541862500000000, -0.0496697900000000, 0.0125662500000000 ] - [ -0.0025888300000000, -0.0023163400000000, -0.0001442300000000 ] - [ 0.0060822200000000, 0.0025340100000000, -0.0001615700000000 ] - [ -0.0009576600000000, -0.0009614500000000, 0.0000188300000000 ] - [ -0.0543750500000000, -0.0468411300000000, 0.0128533400000000 ] - [ 0.0025464400000000, 0.0007703300000000, -0.0001784300000000 ] - [ -0.0060935300000000, 0.0056696600000000, -0.0001657600000000 ] - [ 0.0009292900000000, 0.0021165200000000, 0.0000205800000000 ]