# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/2a1adb82-bba5-4b8d-b126-6633305e64ea/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 Ba(HO)2 / P2_1/c (14) / materials id 627016](https://mdr.nims.go.jp/datasets/75f2c36d-fee6-44d2-bdea-d496820fbabf) ## Fulltext phonopy: version: 2.17.1 frequency_unit_conversion_factor: 15.633302 symmetry_tolerance: 1.00000e-05 configuration: save_params: ".true."physical_unit: atomic_mass: "AMU" length: "angstrom" force_constants: "eV/angstrom^2"space_group: type: "P2_1/c" number: 14 Hall_symbol: "-P 2ybc"supercell_matrix:- [ 2, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 6.702244440000000, 0.000000000000000, -0.106066830000000 ] # a - [ 0.000000000000000, 7.761464300000000, 0.000000000000000 ] # b - [ -5.766044960000000, 0.000000000000000, 9.332999129999999 ] # c points: - symbol: Ba # 1 coordinates: [ 0.641282490000000, 0.147754780000000, 0.894741980000000 ] mass: 137.327000 - symbol: Ba # 2 coordinates: [ 0.641282490000000, 0.352245220000000, 0.394741980000000 ] mass: 137.327000 - symbol: Ba # 3 coordinates: [ 0.358717510000000, 0.852245220000000, 0.105258020000000 ] mass: 137.327000 - symbol: Ba # 4 coordinates: [ 0.358717510000000, 0.647754780000000, 0.605258020000000 ] mass: 137.327000 - symbol: Ba # 5 coordinates: [ 0.035762420000000, 0.050091200000000, 0.316710910000000 ] mass: 137.327000 - symbol: Ba # 6 coordinates: [ 0.035762420000000, 0.449908800000000, 0.816710910000000 ] mass: 137.327000 - symbol: Ba # 7 coordinates: [ 0.964237580000000, 0.949908800000000, 0.683289090000000 ] mass: 137.327000 - symbol: Ba # 8 coordinates: [ 0.964237580000000, 0.550091200000000, 0.183289090000000 ] mass: 137.327000 - symbol: H # 9 coordinates: [ 0.432815750000000, 0.048499640000000, 0.619203470000000 ] mass: 1.007940 - symbol: H # 10 coordinates: [ 0.432815750000000, 0.451500360000000, 0.119203470000000 ] mass: 1.007940 - symbol: H # 11 coordinates: [ 0.567184250000000, 0.951500360000000, 0.380796530000000 ] mass: 1.007940 - symbol: H # 12 coordinates: [ 0.567184250000000, 0.548499640000000, 0.880796530000000 ] mass: 1.007940 - symbol: H # 13 coordinates: [ 0.804778850000000, 0.850800380000000, 0.017168810000000 ] mass: 1.007940 - symbol: H # 14 coordinates: [ 0.804778850000000, 0.649199620000000, 0.517168810000000 ] mass: 1.007940 - symbol: H # 15 coordinates: [ 0.195221150000000, 0.149199620000000, 0.982831190000000 ] mass: 1.007940 - symbol: H # 16 coordinates: [ 0.195221150000000, 0.350800380000000, 0.482831190000000 ] mass: 1.007940 - symbol: H # 17 coordinates: [ 0.816583710000000, 0.718036600000000, 0.882420250000000 ] mass: 1.007940 - symbol: H # 18 coordinates: [ 0.816583710000000, 0.781963400000000, 0.382420250000000 ] mass: 1.007940 - symbol: H # 19 coordinates: [ 0.183416290000000, 0.281963400000000, 0.117579750000000 ] mass: 1.007940 - symbol: H # 20 coordinates: [ 0.183416290000000, 0.218036600000000, 0.617579750000000 ] mass: 1.007940 - symbol: H # 21 coordinates: [ 0.471132730000000, 0.736644110000000, 0.413525230000000 ] mass: 1.007940 - symbol: H # 22 coordinates: [ 0.471132730000000, 0.763355890000000, 0.913525230000000 ] mass: 1.007940 - symbol: H # 23 coordinates: [ 0.528867270000000, 0.263355890000000, 0.586474770000000 ] mass: 1.007940 - symbol: H # 24 coordinates: [ 0.528867270000000, 0.236644110000000, 0.086474770000000 ] mass: 1.007940 - symbol: O # 25 coordinates: [ 0.295369970000000, 0.999414900000000, 0.619083120000000 ] mass: 15.999400 - symbol: O # 26 coordinates: [ 0.295369970000000, 0.500585100000000, 0.119083120000000 ] mass: 15.999400 - symbol: O # 27 coordinates: [ 0.704630030000000, 0.000585100000000, 0.380916880000000 ] mass: 15.999400 - symbol: O # 28 coordinates: [ 0.704630030000000, 0.499414900000000, 0.880916880000000 ] mass: 15.999400 - symbol: O # 29 coordinates: [ 0.733557450000000, 0.861215230000000, 0.078070780000000 ] mass: 15.999400 - symbol: O # 30 coordinates: [ 0.733557450000000, 0.638784770000000, 0.578070780000000 ] mass: 15.999400 - symbol: O # 31 coordinates: [ 0.266442550000000, 0.138784770000000, 0.921929220000000 ] mass: 15.999400 - symbol: O # 32 coordinates: [ 0.266442550000000, 0.361215230000000, 0.421929220000000 ] mass: 15.999400 - symbol: O # 33 coordinates: [ 0.885637300000000, 0.835520770000000, 0.895686530000000 ] mass: 15.999400 - symbol: O # 34 coordinates: [ 0.885637300000000, 0.664479230000000, 0.395686530000000 ] mass: 15.999400 - symbol: O # 35 coordinates: [ 0.114362700000000, 0.164479230000000, 0.104313470000000 ] mass: 15.999400 - symbol: O # 36 coordinates: [ 0.114362700000000, 0.335520770000000, 0.604313470000000 ] mass: 15.999400 - symbol: O # 37 coordinates: [ 0.323214370000000, 0.799808300000000, 0.343866390000000 ] mass: 15.999400 - symbol: O # 38 coordinates: [ 0.323214370000000, 0.700191700000000, 0.843866390000000 ] mass: 15.999400 - symbol: O # 39 coordinates: [ 0.676785630000000, 0.200191700000000, 0.656133610000000 ] mass: 15.999400 - symbol: O # 40 coordinates: [ 0.676785630000000, 0.299808300000000, 0.156133610000000 ] mass: 15.999400 reciprocal_lattice: # without 2pi - [ 0.150676953651120, 0.000000000000000, 0.093090128594943 ] # a* - [ 0.000000000000000, 0.128841667158090, 0.000000000000000 ] # b* - [ 0.001712399905456, 0.000000000000000, 0.108204636127975 ] # c*unit_cell: lattice: - [ 6.702244440000000, 0.000000000000000, -0.106066830000000 ] # a - [ 0.000000000000000, 7.761464300000000, 0.000000000000000 ] # b - [ -5.766044960000000, 0.000000000000000, 9.332999129999999 ] # c points: - symbol: Ba # 1 coordinates: [ 0.641282490000000, 0.147754780000000, 0.894741980000000 ] mass: 137.327000 reduced_to: 1 - symbol: Ba # 2 coordinates: [ 0.641282490000000, 0.352245220000000, 0.394741980000000 ] mass: 137.327000 reduced_to: 2 - symbol: Ba # 3 coordinates: [ 0.358717510000000, 0.852245220000000, 0.105258020000000 ] mass: 137.327000 reduced_to: 3 - symbol: Ba # 4 coordinates: [ 0.358717510000000, 0.647754780000000, 0.605258020000000 ] mass: 137.327000 reduced_to: 4 - symbol: Ba # 5 coordinates: [ 0.035762420000000, 0.050091200000000, 0.316710910000000 ] mass: 137.327000 reduced_to: 5 - symbol: Ba # 6 coordinates: [ 0.035762420000000, 0.449908800000000, 0.816710910000000 ] mass: 137.327000 reduced_to: 6 - symbol: Ba # 7 coordinates: [ 0.964237580000000, 0.949908800000000, 0.683289090000000 ] mass: 137.327000 reduced_to: 7 - symbol: Ba # 8 coordinates: [ 0.964237580000000, 0.550091200000000, 0.183289090000000 ] mass: 137.327000 reduced_to: 8 - symbol: H # 9 coordinates: [ 0.432815750000000, 0.048499640000000, 0.619203470000000 ] mass: 1.007940 reduced_to: 9 - symbol: H # 10 coordinates: [ 0.432815750000000, 0.451500360000000, 0.119203470000000 ] mass: 1.007940 reduced_to: 10 - symbol: H # 11 coordinates: [ 0.567184250000000, 0.951500360000000, 0.380796530000000 ] mass: 1.007940 reduced_to: 11 - symbol: H # 12 coordinates: [ 0.567184250000000, 0.548499640000000, 0.880796530000000 ] mass: 1.007940 reduced_to: 12 - symbol: H # 13 coordinates: [ 0.804778850000000, 0.850800380000000, 0.017168810000000 ] mass: 1.007940 reduced_to: 13 - symbol: H # 14 coordinates: [ 0.804778850000000, 0.649199620000000, 0.517168810000000 ] mass: 1.007940 reduced_to: 14 - symbol: H # 15 coordinates: [ 0.195221150000000, 0.149199620000000, 0.982831190000000 ] mass: 1.007940 reduced_to: 15 - symbol: H # 16 coordinates: [ 0.195221150000000, 0.350800380000000, 0.482831190000000 ] mass: 1.007940 reduced_to: 16 - symbol: H # 17 coordinates: [ 0.816583710000000, 0.718036600000000, 0.882420250000000 ] mass: 1.007940 reduced_to: 17 - symbol: H # 18 coordinates: [ 0.816583710000000, 0.781963400000000, 0.382420250000000 ] mass: 1.007940 reduced_to: 18 - symbol: H # 19 coordinates: [ 0.183416290000000, 0.281963400000000, 0.117579750000000 ] mass: 1.007940 reduced_to: 19 - symbol: H # 20 coordinates: [ 0.183416290000000, 0.218036600000000, 0.617579750000000 ] mass: 1.007940 reduced_to: 20 - symbol: H # 21 coordinates: [ 0.471132730000000, 0.736644110000000, 0.413525230000000 ] mass: 1.007940 reduced_to: 21 - symbol: H # 22 coordinates: [ 0.471132730000000, 0.763355890000000, 0.913525230000000 ] mass: 1.007940 reduced_to: 22 - symbol: H # 23 coordinates: [ 0.528867270000000, 0.263355890000000, 0.586474770000000 ] mass: 1.007940 reduced_to: 23 - symbol: H # 24 coordinates: [ 0.528867270000000, 0.236644110000000, 0.086474770000000 ] mass: 1.007940 reduced_to: 24 - symbol: O # 25 coordinates: [ 0.295369970000000, 0.999414900000000, 0.619083120000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 26 coordinates: [ 0.295369970000000, 0.500585100000000, 0.119083120000000 ] mass: 15.999400 reduced_to: 26 - symbol: O # 27 coordinates: [ 0.704630030000000, 0.000585100000000, 0.380916880000000 ] mass: 15.999400 reduced_to: 27 - symbol: O # 28 coordinates: [ 0.704630030000000, 0.499414900000000, 0.880916880000000 ] mass: 15.999400 reduced_to: 28 - symbol: O # 29 coordinates: [ 0.733557450000000, 0.861215230000000, 0.078070780000000 ] mass: 15.999400 reduced_to: 29 - symbol: O # 30 coordinates: [ 0.733557450000000, 0.638784770000000, 0.578070780000000 ] mass: 15.999400 reduced_to: 30 - symbol: O # 31 coordinates: [ 0.266442550000000, 0.138784770000000, 0.921929220000000 ] mass: 15.999400 reduced_to: 31 - symbol: O # 32 coordinates: [ 0.266442550000000, 0.361215230000000, 0.421929220000000 ] mass: 15.999400 reduced_to: 32 - symbol: O # 33 coordinates: [ 0.885637300000000, 0.835520770000000, 0.895686530000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 34 coordinates: [ 0.885637300000000, 0.664479230000000, 0.395686530000000 ] mass: 15.999400 reduced_to: 34 - symbol: O # 35 coordinates: [ 0.114362700000000, 0.164479230000000, 0.104313470000000 ] mass: 15.999400 reduced_to: 35 - symbol: O # 36 coordinates: [ 0.114362700000000, 0.335520770000000, 0.604313470000000 ] mass: 15.999400 reduced_to: 36 - symbol: O # 37 coordinates: [ 0.323214370000000, 0.799808300000000, 0.343866390000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 38 coordinates: [ 0.323214370000000, 0.700191700000000, 0.843866390000000 ] mass: 15.999400 reduced_to: 38 - symbol: O # 39 coordinates: [ 0.676785630000000, 0.200191700000000, 0.656133610000000 ] mass: 15.999400 reduced_to: 39 - symbol: O # 40 coordinates: [ 0.676785630000000, 0.299808300000000, 0.156133610000000 ] mass: 15.999400 reduced_to: 40supercell: lattice: - [ 13.404488880000001, 0.000000000000000, -0.212133660000000 ] # a - [ 0.000000000000000, 7.761464300000000, 0.000000000000000 ] # b - [ -5.766044960000000, 0.000000000000000, 9.332999129999999 ] # c points: - symbol: Ba # 1 coordinates: [ 0.320641245000000, 0.147754780000000, 0.894741980000000 ] mass: 137.327000 reduced_to: 1 - symbol: Ba # 2 coordinates: [ 0.820641245000000, 0.147754780000000, 0.894741980000000 ] mass: 137.327000 reduced_to: 1 - symbol: Ba # 3 coordinates: [ 0.320641245000000, 0.352245220000000, 0.394741980000000 ] mass: 137.327000 reduced_to: 3 - symbol: Ba # 4 coordinates: [ 0.820641245000000, 0.352245220000000, 0.394741980000000 ] mass: 137.327000 reduced_to: 3 - symbol: Ba # 5 coordinates: [ 0.179358755000000, 0.852245220000000, 0.105258020000000 ] mass: 137.327000 reduced_to: 5 - symbol: Ba # 6 coordinates: [ 0.679358755000000, 0.852245220000000, 0.105258020000000 ] mass: 137.327000 reduced_to: 5 - symbol: Ba # 7 coordinates: [ 0.179358755000000, 0.647754780000000, 0.605258020000000 ] mass: 137.327000 reduced_to: 7 - symbol: Ba # 8 coordinates: [ 0.679358755000000, 0.647754780000000, 0.605258020000000 ] mass: 137.327000 reduced_to: 7 - symbol: Ba # 9 coordinates: [ 0.017881210000000, 0.050091200000000, 0.316710910000000 ] mass: 137.327000 reduced_to: 9 - symbol: Ba # 10 coordinates: [ 0.517881210000000, 0.050091200000000, 0.316710910000000 ] mass: 137.327000 reduced_to: 9 - symbol: Ba # 11 coordinates: [ 0.017881210000000, 0.449908800000000, 0.816710910000000 ] mass: 137.327000 reduced_to: 11 - symbol: Ba # 12 coordinates: [ 0.517881210000000, 0.449908800000000, 0.816710910000000 ] mass: 137.327000 reduced_to: 11 - symbol: Ba # 13 coordinates: [ 0.482118790000000, 0.949908800000000, 0.683289090000000 ] mass: 137.327000 reduced_to: 13 - symbol: Ba # 14 coordinates: [ 0.982118790000000, 0.949908800000000, 0.683289090000000 ] mass: 137.327000 reduced_to: 13 - symbol: Ba # 15 coordinates: [ 0.482118790000000, 0.550091200000000, 0.183289090000000 ] mass: 137.327000 reduced_to: 15 - symbol: Ba # 16 coordinates: [ 0.982118790000000, 0.550091200000000, 0.183289090000000 ] mass: 137.327000 reduced_to: 15 - symbol: H # 17 coordinates: [ 0.216407875000000, 0.048499640000000, 0.619203470000000 ] mass: 1.007940 reduced_to: 17 - symbol: H # 18 coordinates: [ 0.716407875000000, 0.048499640000000, 0.619203470000000 ] mass: 1.007940 reduced_to: 17 - symbol: H # 19 coordinates: [ 0.216407875000000, 0.451500360000000, 0.119203470000000 ] mass: 1.007940 reduced_to: 19 - symbol: H # 20 coordinates: [ 0.716407875000000, 0.451500360000000, 0.119203470000000 ] mass: 1.007940 reduced_to: 19 - symbol: H # 21 coordinates: [ 0.283592125000000, 0.951500360000000, 0.380796530000000 ] mass: 1.007940 reduced_to: 21 - symbol: H # 22 coordinates: [ 0.783592125000000, 0.951500360000000, 0.380796530000000 ] mass: 1.007940 reduced_to: 21 - symbol: H # 23 coordinates: [ 0.283592125000000, 0.548499640000000, 0.880796530000000 ] mass: 1.007940 reduced_to: 23 - symbol: H # 24 coordinates: [ 0.783592125000000, 0.548499640000000, 0.880796530000000 ] mass: 1.007940 reduced_to: 23 - symbol: H # 25 coordinates: [ 0.402389425000000, 0.850800380000000, 0.017168810000000 ] mass: 1.007940 reduced_to: 25 - symbol: H # 26 coordinates: [ 0.902389425000000, 0.850800380000000, 0.017168810000000 ] mass: 1.007940 reduced_to: 25 - symbol: H # 27 coordinates: [ 0.402389425000000, 0.649199620000000, 0.517168810000000 ] mass: 1.007940 reduced_to: 27 - symbol: H # 28 coordinates: [ 0.902389425000000, 0.649199620000000, 0.517168810000000 ] mass: 1.007940 reduced_to: 27 - symbol: H # 29 coordinates: [ 0.097610575000000, 0.149199620000000, 0.982831190000000 ] mass: 1.007940 reduced_to: 29 - symbol: H # 30 coordinates: [ 0.597610575000000, 0.149199620000000, 0.982831190000000 ] mass: 1.007940 reduced_to: 29 - symbol: H # 31 coordinates: [ 0.097610575000000, 0.350800380000000, 0.482831190000000 ] mass: 1.007940 reduced_to: 31 - symbol: H # 32 coordinates: [ 0.597610575000000, 0.350800380000000, 0.482831190000000 ] mass: 1.007940 reduced_to: 31 - symbol: H # 33 coordinates: [ 0.408291855000000, 0.718036600000000, 0.882420250000000 ] mass: 1.007940 reduced_to: 33 - symbol: H # 34 coordinates: [ 0.908291855000000, 0.718036600000000, 0.882420250000000 ] mass: 1.007940 reduced_to: 33 - symbol: H # 35 coordinates: [ 0.408291855000000, 0.781963400000000, 0.382420250000000 ] mass: 1.007940 reduced_to: 35 - symbol: H # 36 coordinates: [ 0.908291855000000, 0.781963400000000, 0.382420250000000 ] mass: 1.007940 reduced_to: 35 - symbol: H # 37 coordinates: [ 0.091708145000000, 0.281963400000000, 0.117579750000000 ] mass: 1.007940 reduced_to: 37 - symbol: H # 38 coordinates: [ 0.591708145000000, 0.281963400000000, 0.117579750000000 ] mass: 1.007940 reduced_to: 37 - symbol: H # 39 coordinates: [ 0.091708145000000, 0.218036600000000, 0.617579750000000 ] mass: 1.007940 reduced_to: 39 - symbol: H # 40 coordinates: [ 0.591708145000000, 0.218036600000000, 0.617579750000000 ] mass: 1.007940 reduced_to: 39 - symbol: H # 41 coordinates: [ 0.235566365000000, 0.736644110000000, 0.413525230000000 ] mass: 1.007940 reduced_to: 41 - symbol: H # 42 coordinates: [ 0.735566365000000, 0.736644110000000, 0.413525230000000 ] mass: 1.007940 reduced_to: 41 - symbol: H # 43 coordinates: [ 0.235566365000000, 0.763355890000000, 0.913525230000000 ] mass: 1.007940 reduced_to: 43 - symbol: H # 44 coordinates: [ 0.735566365000000, 0.763355890000000, 0.913525230000000 ] mass: 1.007940 reduced_to: 43 - symbol: H # 45 coordinates: [ 0.264433635000000, 0.263355890000000, 0.586474770000000 ] mass: 1.007940 reduced_to: 45 - symbol: H # 46 coordinates: [ 0.764433635000000, 0.263355890000000, 0.586474770000000 ] mass: 1.007940 reduced_to: 45 - symbol: H # 47 coordinates: [ 0.264433635000000, 0.236644110000000, 0.086474770000000 ] mass: 1.007940 reduced_to: 47 - symbol: H # 48 coordinates: [ 0.764433635000000, 0.236644110000000, 0.086474770000000 ] mass: 1.007940 reduced_to: 47 - symbol: O # 49 coordinates: [ 0.147684985000000, 0.999414900000000, 0.619083120000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 50 coordinates: [ 0.647684985000000, 0.999414900000000, 0.619083120000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 51 coordinates: [ 0.147684985000000, 0.500585100000000, 0.119083120000000 ] mass: 15.999400 reduced_to: 51 - symbol: O # 52 coordinates: [ 0.647684985000000, 0.500585100000000, 0.119083120000000 ] mass: 15.999400 reduced_to: 51 - symbol: O # 53 coordinates: [ 0.352315015000000, 0.000585100000000, 0.380916880000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 54 coordinates: [ 0.852315015000000, 0.000585100000000, 0.380916880000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 55 coordinates: [ 0.352315015000000, 0.499414900000000, 0.880916880000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 56 coordinates: [ 0.852315015000000, 0.499414900000000, 0.880916880000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 57 coordinates: [ 0.366778725000000, 0.861215230000000, 0.078070780000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 58 coordinates: [ 0.866778725000000, 0.861215230000000, 0.078070780000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 59 coordinates: [ 0.366778725000000, 0.638784770000000, 0.578070780000000 ] mass: 15.999400 reduced_to: 59 - symbol: O # 60 coordinates: [ 0.866778725000000, 0.638784770000000, 0.578070780000000 ] mass: 15.999400 reduced_to: 59 - symbol: O # 61 coordinates: [ 0.133221275000000, 0.138784770000000, 0.921929220000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 62 coordinates: [ 0.633221275000000, 0.138784770000000, 0.921929220000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 63 coordinates: [ 0.133221275000000, 0.361215230000000, 0.421929220000000 ] mass: 15.999400 reduced_to: 63 - symbol: O # 64 coordinates: [ 0.633221275000000, 0.361215230000000, 0.421929220000000 ] mass: 15.999400 reduced_to: 63 - symbol: O # 65 coordinates: [ 0.442818650000000, 0.835520770000000, 0.895686530000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 66 coordinates: [ 0.942818650000000, 0.835520770000000, 0.895686530000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 67 coordinates: [ 0.442818650000000, 0.664479230000000, 0.395686530000000 ] mass: 15.999400 reduced_to: 67 - symbol: O # 68 coordinates: [ 0.942818650000000, 0.664479230000000, 0.395686530000000 ] mass: 15.999400 reduced_to: 67 - symbol: O # 69 coordinates: [ 0.057181350000000, 0.164479230000000, 0.104313470000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 70 coordinates: [ 0.557181350000000, 0.164479230000000, 0.104313470000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 71 coordinates: [ 0.057181350000000, 0.335520770000000, 0.604313470000000 ] mass: 15.999400 reduced_to: 71 - symbol: O # 72 coordinates: [ 0.557181350000000, 0.335520770000000, 0.604313470000000 ] mass: 15.999400 reduced_to: 71 - symbol: O # 73 coordinates: [ 0.161607185000000, 0.799808300000000, 0.343866390000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 74 coordinates: [ 0.661607185000000, 0.799808300000000, 0.343866390000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 75 coordinates: [ 0.161607185000000, 0.700191700000000, 0.843866390000000 ] mass: 15.999400 reduced_to: 75 - symbol: O # 76 coordinates: [ 0.661607185000000, 0.700191700000000, 0.843866390000000 ] mass: 15.999400 reduced_to: 75 - symbol: O # 77 coordinates: [ 0.338392815000000, 0.200191700000000, 0.656133610000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 78 coordinates: [ 0.838392815000000, 0.200191700000000, 0.656133610000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 79 coordinates: [ 0.338392815000000, 0.299808300000000, 0.156133610000000 ] mass: 15.999400 reduced_to: 79 - symbol: O # 80 coordinates: [ 0.838392815000000, 0.299808300000000, 0.156133610000000 ] mass: 15.999400 reduced_to: 79displacements:- atom: 1 displacement: [ 0.0099987479920404, 0.0000000000000000, -0.0001582358735165 ] forces: - [ -0.0655588000000000, -0.0042177300000000, 0.0056638100000000 ] - [ 0.0048738000000000, 0.0002688500000000, -0.0002953700000000 ] - [ 0.0010502100000000, 0.0002040900000000, -0.0053220700000000 ] - [ 0.0016799900000000, 0.0002961400000000, 0.0033098800000000 ] - [ 0.0028272800000000, 0.0045183200000000, -0.0045813900000000 ] - [ 0.0036753400000000, -0.0026893100000000, 0.0037835200000000 ] - [ -0.0036226900000000, 0.0005528900000000, -0.0000859100000000 ] - [ 0.0018162800000000, -0.0001125200000000, 0.0004619900000000 ] - [ 0.0006344000000000, 0.0001584300000000, 0.0003875800000000 ] - [ -0.0046499200000000, -0.0001317800000000, 0.0007670600000000 ] - [ 0.0055431800000000, -0.0055175100000000, 0.0024247900000000 ] - [ 0.0068306900000000, 0.0069933700000000, -0.0025401500000000 ] - [ 0.0064401800000000, -0.0038004700000000, -0.0058697800000000 ] - [ 0.0061941700000000, 0.0042312600000000, 0.0075113900000000 ] - [ -0.0046512500000000, 0.0009284500000000, 0.0017764100000000 ] - [ 0.0021551400000000, -0.0000013500000000, -0.0002854400000000 ] - [ -0.0049181400000000, -0.0021204800000000, -0.0027757400000000 ] - [ 0.0006267300000000, 0.0002866900000000, 0.0000410400000000 ] - [ 0.0006146600000000, -0.0008285200000000, -0.0008584100000000 ] - [ 0.0007898700000000, 0.0000029700000000, 0.0000810600000000 ] - [ 0.0000109100000000, -0.0001246500000000, -0.0003734300000000 ] - [ 0.0004655100000000, 0.0000775900000000, 0.0008197300000000 ] - [ -0.0025313500000000, -0.0012836800000000, 0.0002407100000000 ] - [ 0.0011232900000000, -0.0006146500000000, 0.0004027500000000 ] - [ -0.0060226600000000, -0.0029795800000000, 0.0035311600000000 ] - [ 0.0007435400000000, -0.0001566000000000, -0.0008207600000000 ] - [ 0.0002763300000000, 0.0000730700000000, -0.0006575200000000 ] - [ -0.0007221800000000, 0.0001881700000000, 0.0005063200000000 ] - [ 0.0059031000000000, 0.0003229000000000, -0.0016562400000000 ] - [ 0.0056812700000000, 0.0001451600000000, 0.0004866600000000 ] - [ -0.0017378000000000, -0.0002134600000000, 0.0012487400000000 ] - [ 0.0007564900000000, -0.0002012900000000, -0.0005262000000000 ] - [ -0.0014310500000000, -0.0009465200000000, 0.0000815400000000 ] - [ 0.0001213800000000, 0.0002465800000000, -0.0000658600000000 ] - [ -0.0003384500000000, 0.0000305200000000, -0.0003783100000000 ] - [ -0.0001328900000000, 0.0000161900000000, 0.0002484700000000 ] - [ 0.0008867300000000, -0.0003722000000000, -0.0006286100000000 ] - [ 0.0027751800000000, 0.0022225000000000, 0.0020698800000000 ] - [ -0.0000048600000000, 0.0002622600000000, 0.0039276000000000 ] - [ 0.0007112600000000, -0.0002039700000000, -0.0000116600000000 ] - [ -0.0002655100000000, 0.0006132000000000, -0.0011432500000000 ] - [ 0.0008330600000000, 0.0001281500000000, 0.0004076300000000 ] - [ -0.0009910600000000, 0.0017254100000000, -0.0012174400000000 ] - [ 0.0008848000000000, -0.0003704800000000, 0.0001938000000000 ] - [ -0.0019189900000000, 0.0005591800000000, -0.0021443500000000 ] - [ 0.0001123000000000, -0.0005946800000000, 0.0008377400000000 ] - [ 0.0043399900000000, -0.0033211500000000, -0.0089525300000000 ] - [ 0.0010055200000000, 0.0010345100000000, 0.0016214700000000 ] - [ 0.0057859100000000, -0.0000099700000000, -0.0006680300000000 ] - [ -0.0022121500000000, -0.0002103000000000, 0.0000143800000000 ] - [ -0.0017699900000000, 0.0006056000000000, 0.0015929400000000 ] - [ -0.0014729700000000, -0.0018535600000000, -0.0019409200000000 ] - [ 0.0005140900000000, 0.0000212900000000, 0.0027701800000000 ] - [ -0.0006699500000000, 0.0001055500000000, -0.0024276700000000 ] - [ 0.0077879600000000, 0.0032380500000000, -0.0006000000000000 ] - [ -0.0022593600000000, 0.0001453200000000, 0.0001020500000000 ] - [ 0.0075546300000000, -0.0011295400000000, -0.0002806800000000 ] - [ -0.0022420500000000, -0.0002288600000000, 0.0000153300000000 ] - [ 0.0007568700000000, 0.0001875800000000, 0.0026293000000000 ] - [ -0.0009215000000000, -0.0002121700000000, -0.0020693900000000 ] - [ 0.0111593800000000, -0.0000955600000000, -0.0033177800000000 ] - [ -0.0070727200000000, 0.0003206100000000, -0.0004504700000000 ] - [ 0.0022769700000000, -0.0009114500000000, 0.0011104700000000 ] - [ -0.0004619200000000, -0.0001574000000000, -0.0006901100000000 ] - [ 0.0047948700000000, 0.0013240700000000, -0.0013214100000000 ] - [ -0.0023699300000000, -0.0007699400000000, 0.0005450500000000 ] - [ -0.0000369600000000, 0.0003592100000000, 0.0012156100000000 ] - [ -0.0001437200000000, 0.0002270700000000, -0.0007157500000000 ] - [ -0.0045780300000000, 0.0004269900000000, 0.0028533600000000 ] - [ 0.0076009400000000, 0.0012190900000000, 0.0029383900000000 ] - [ 0.0006439500000000, 0.0011523600000000, -0.0056201700000000 ] - [ -0.0012182100000000, -0.0003354600000000, 0.0012638800000000 ] - [ -0.0001058300000000, 0.0001937100000000, 0.0019529200000000 ] - [ -0.0001280300000000, 0.0006244000000000, -0.0008404500000000 ] - [ 0.0024399300000000, -0.0029234200000000, 0.0005505700000000 ] - [ -0.0028783000000000, -0.0003526400000000, 0.0001623000000000 ] - [ 0.0065813100000000, 0.0006999700000000, -0.0015214000000000 ] - [ -0.0022210900000000, -0.0001248500000000, -0.0018504800000000 ] - [ 0.0041518300000000, 0.0032293800000000, 0.0049837900000000 ] - [ -0.0021708800000000, -0.0000493800000000, -0.0020281300000000 ]- atom: 1 displacement: [ -0.0099987479920404, 0.0000000000000000, 0.0001582358735165 ] forces: - [ 0.0663311300000000, 0.0042617700000000, -0.0068720800000000 ] - [ -0.0049167700000000, -0.0002136200000000, -0.0005655800000000 ] - [ -0.0010989100000000, -0.0002622700000000, 0.0044768100000000 ] - [ -0.0017209400000000, -0.0003545000000000, -0.0041744500000000 ] - [ -0.0027924600000000, -0.0046223500000000, 0.0054841900000000 ] - [ -0.0036350300000000, 0.0026101200000000, -0.0029098000000000 ] - [ 0.0036728300000000, -0.0004908300000000, 0.0009751600000000 ] - [ -0.0017795600000000, 0.0001683800000000, 0.0003873000000000 ] - [ -0.0009011100000000, 0.0001218200000000, -0.0003444100000000 ] - [ 0.0043793100000000, 0.0004178800000000, -0.0008030300000000 ] - [ -0.0058383800000000, 0.0052948300000000, -0.0024354700000000 ] - [ -0.0071000900000000, -0.0072067500000000, 0.0025373600000000 ] - [ -0.0061547400000000, 0.0034869400000000, 0.0058094200000000 ] - [ -0.0059500200000000, -0.0045659000000000, -0.0076102100000000 ] - [ 0.0049083500000000, -0.0006529300000000, -0.0018316400000000 ] - [ -0.0018894500000000, 0.0002863700000000, 0.0002847100000000 ] - [ 0.0045909600000000, 0.0018459200000000, 0.0024288500000000 ] - [ -0.0009269900000000, -0.0005786500000000, -0.0004655400000000 ] - [ -0.0009039500000000, 0.0011210900000000, 0.0004447600000000 ] - [ -0.0010884900000000, 0.0002892600000000, -0.0005013500000000 ] - [ 0.0002857800000000, 0.0004163300000000, 0.0007987400000000 ] - [ -0.0001692100000000, 0.0002136900000000, -0.0004000600000000 ] - [ 0.0028552300000000, 0.0009785300000000, 0.0001818100000000 ] - [ -0.0008266200000000, 0.0003256300000000, 0.0000188400000000 ] - [ 0.0053084800000000, 0.0027807400000000, -0.0036733400000000 ] - [ -0.0014341400000000, -0.0001090700000000, 0.0007163500000000 ] - [ -0.0009635400000000, 0.0001916600000000, 0.0005494900000000 ] - [ 0.0000414800000000, 0.0000763100000000, -0.0006182300000000 ] - [ -0.0053335100000000, -0.0000686200000000, 0.0017406900000000 ] - [ -0.0049554600000000, 0.0001229400000000, -0.0003383700000000 ] - [ 0.0024311000000000, -0.0000537600000000, -0.0011396400000000 ] - [ -0.0000676000000000, -0.0000639900000000, 0.0006313300000000 ] - [ 0.0008721700000000, 0.0008133800000000, -0.0002064700000000 ] - [ -0.0006940200000000, -0.0003492000000000, -0.0000619800000000 ] - [ -0.0002321000000000, 0.0000703000000000, 0.0002502100000000 ] - [ -0.0004374900000000, 0.0000855400000000, -0.0003764100000000 ] - [ -0.0003173200000000, 0.0004799700000000, 0.0007613600000000 ] - [ -0.0021791800000000, -0.0021069700000000, -0.0019059100000000 ] - [ 0.0006079300000000, -0.0003727900000000, -0.0038126500000000 ] - [ -0.0001388600000000, 0.0001018800000000, 0.0001377300000000 ] - [ 0.0007792700000000, 0.0000880700000000, 0.0004929100000000 ] - [ -0.0003195200000000, 0.0005743000000000, -0.0010629800000000 ] - [ 0.0015312400000000, -0.0024279600000000, 0.0005739400000000 ] - [ -0.0003694000000000, -0.0003310000000000, -0.0008431700000000 ] - [ 0.0014107100000000, -0.0012653000000000, 0.0027920500000000 ] - [ -0.0006302700000000, -0.0001023800000000, -0.0001913600000000 ] - [ -0.0048734700000000, 0.0040857700000000, 0.0097534100000000 ] - [ -0.0015171900000000, -0.0003281200000000, -0.0009580800000000 ] - [ -0.0063879000000000, 0.0000561200000000, 0.0004344600000000 ] - [ 0.0016552200000000, 0.0002934400000000, -0.0001471400000000 ] - [ 0.0012049500000000, -0.0006891800000000, -0.0017492300000000 ] - [ 0.0009213700000000, 0.0017651500000000, 0.0017931400000000 ] - [ 0.0000424900000000, -0.0001072800000000, -0.0026324500000000 ] - [ 0.0012255200000000, -0.0001899500000000, 0.0025784500000000 ] - [ -0.0072374500000000, -0.0030980200000000, 0.0007373700000000 ] - [ 0.0028252700000000, -0.0000646400000000, 0.0000390100000000 ] - [ -0.0071880100000000, 0.0007627400000000, 0.0005382400000000 ] - [ 0.0026505500000000, -0.0001194800000000, 0.0002211000000000 ] - [ -0.0003397300000000, 0.0001640200000000, -0.0023812200000000 ] - [ 0.0013275400000000, 0.0005653100000000, 0.0023316100000000 ] - [ -0.0126077100000000, 0.0004379800000000, 0.0032954100000000 ] - [ 0.0066211600000000, 0.0000286600000000, 0.0001841900000000 ] - [ -0.0026897000000000, 0.0005652600000000, -0.0013695000000000 ] - [ 0.0000581300000000, -0.0001932100000000, 0.0004565600000000 ] - [ -0.0048043000000000, -0.0019049800000000, 0.0017241500000000 ] - [ 0.0022667300000000, 0.0003276800000000, -0.0001494100000000 ] - [ -0.0000747500000000, 0.0000901900000000, -0.0008142600000000 ] - [ 0.0000249100000000, 0.0002192500000000, 0.0011082100000000 ] - [ 0.0047101200000000, 0.0000206700000000, -0.0032656900000000 ] - [ -0.0071662800000000, -0.0007540300000000, -0.0029606500000000 ] - [ -0.0005831800000000, -0.0015992300000000, 0.0052285200000000 ] - [ 0.0013297600000000, -0.0001129000000000, -0.0016528900000000 ] - [ -0.0001511200000000, 0.0004604900000000, -0.0009509200000000 ] - [ -0.0001299400000000, 0.0000312700000000, 0.0018622200000000 ] - [ -0.0027529800000000, 0.0022789600000000, 0.0004607800000000 ] - [ 0.0026143200000000, -0.0003075500000000, 0.0008504600000000 ] - [ -0.0061649700000000, -0.0013053700000000, 0.0002285100000000 ] - [ 0.0024955500000000, -0.0005369900000000, 0.0008489300000000 ] - [ -0.0039802000000000, -0.0025689900000000, -0.0059730100000000 ] - [ 0.0024345100000000, 0.0007021700000000, 0.0009998100000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0043909400000000, -0.0542103300000000, 0.0014176400000000 ] - [ 0.0002217600000000, -0.0002980500000000, -0.0004355000000000 ] - [ -0.0002522500000000, 0.0002222500000000, -0.0001479000000000 ] - [ -0.0003459000000000, -0.0000614000000000, -0.0004741200000000 ] - [ 0.0045451300000000, 0.0010828900000000, -0.0015398100000000 ] - [ -0.0026487500000000, 0.0000674300000000, -0.0014310100000000 ] - [ -0.0005156600000000, 0.0067908300000000, -0.0003778100000000 ] - [ 0.0001626700000000, 0.0004514600000000, 0.0004660300000000 ] - [ -0.0001297400000000, -0.0005468500000000, 0.0005994600000000 ] - [ -0.0005983100000000, -0.0031978900000000, -0.0034551000000000 ] - [ -0.0037191600000000, 0.0018090100000000, -0.0002743800000000 ] - [ 0.0077482200000000, 0.0038404500000000, -0.0015720100000000 ] - [ -0.0029487900000000, -0.0013908900000000, 0.0026412200000000 ] - [ 0.0040062700000000, -0.0003547000000000, 0.0019006800000000 ] - [ 0.0009653300000000, 0.0086504600000000, 0.0054950700000000 ] - [ 0.0001336900000000, 0.0005708500000000, -0.0002332000000000 ] - [ -0.0017173800000000, -0.0027170400000000, 0.0039084700000000 ] - [ -0.0001839600000000, -0.0002627600000000, -0.0002665200000000 ] - [ -0.0012699600000000, 0.0009882500000000, -0.0001035100000000 ] - [ 0.0000191300000000, -0.0000838500000000, -0.0002076400000000 ] - [ 0.0001555800000000, 0.0001185600000000, 0.0001035200000000 ] - [ 0.0001853500000000, 0.0001249300000000, 0.0002034900000000 ] - [ -0.0031769800000000, 0.0069411400000000, -0.0000956200000000 ] - [ 0.0001671300000000, -0.0000094600000000, 0.0001669700000000 ] - [ -0.0030733300000000, 0.0121558700000000, -0.0068404500000000 ] - [ -0.0001903500000000, -0.0001247600000000, -0.0000850100000000 ] - [ -0.0001985400000000, 0.0000447300000000, -0.0001818000000000 ] - [ -0.0004038900000000, 0.0002518000000000, 0.0000302600000000 ] - [ 0.0004713400000000, 0.0007274200000000, -0.0000883600000000 ] - [ 0.0007319800000000, -0.0007479100000000, -0.0003934900000000 ] - [ 0.0009031100000000, -0.0001512800000000, -0.0006849100000000 ] - [ 0.0004990600000000, -0.0001772800000000, 0.0000218300000000 ] - [ 0.0009460000000000, 0.0070994700000000, -0.0002029300000000 ] - [ -0.0002526500000000, 0.0001749300000000, -0.0000683500000000 ] - [ -0.0001193000000000, 0.0000750500000000, -0.0004383300000000 ] - [ -0.0002808100000000, 0.0001549200000000, -0.0000143200000000 ] - [ 0.0000975600000000, -0.0000707600000000, -0.0000493800000000 ] - [ 0.0019559000000000, 0.0002039500000000, 0.0016152000000000 ] - [ 0.0002072500000000, -0.0035948100000000, -0.0014445600000000 ] - [ 0.0003425200000000, -0.0003456700000000, 0.0000999600000000 ] - [ 0.0001356200000000, 0.0005264900000000, -0.0004274500000000 ] - [ 0.0002091000000000, 0.0004923800000000, -0.0002766700000000 ] - [ 0.0023922600000000, 0.0048351700000000, 0.0001735100000000 ] - [ 0.0002624600000000, -0.0004026800000000, -0.0001557100000000 ] - [ 0.0003217200000000, -0.0005193300000000, -0.0019631500000000 ] - [ -0.0002145000000000, -0.0004192100000000, 0.0004655400000000 ] - [ -0.0034118500000000, -0.0022410300000000, 0.0022807000000000 ] - [ -0.0001837600000000, 0.0002609200000000, 0.0002829800000000 ] - [ -0.0006008700000000, 0.0041836500000000, -0.0007839800000000 ] - [ -0.0000580300000000, 0.0002332200000000, 0.0001904300000000 ] - [ 0.0005637600000000, -0.0010304900000000, 0.0000063000000000 ] - [ -0.0010602000000000, -0.0005609000000000, -0.0006821000000000 ] - [ 0.0000102400000000, 0.0005754700000000, 0.0003297400000000 ] - [ 0.0001047000000000, 0.0002924200000000, 0.0000210500000000 ] - [ 0.0002253400000000, 0.0030624900000000, -0.0000793300000000 ] - [ 0.0004493500000000, -0.0002118400000000, 0.0001041200000000 ] - [ -0.0006502300000000, 0.0007255200000000, 0.0015818200000000 ] - [ 0.0002944700000000, -0.0003349500000000, -0.0000404100000000 ] - [ 0.0002470700000000, -0.0009666000000000, 0.0003356000000000 ] - [ 0.0002281800000000, -0.0004394100000000, 0.0000275600000000 ] - [ 0.0000806400000000, 0.0039946600000000, 0.0000098100000000 ] - [ -0.0004938300000000, 0.0016118800000000, 0.0001019100000000 ] - [ -0.0003569200000000, -0.0002085300000000, 0.0007865600000000 ] - [ -0.0003024600000000, 0.0004105800000000, -0.0004500800000000 ] - [ 0.0031977000000000, -0.0037243600000000, 0.0003084600000000 ] - [ -0.0005302700000000, -0.0004130800000000, 0.0000542000000000 ] - [ -0.0000420200000000, -0.0005502000000000, 0.0005376900000000 ] - [ 0.0001393500000000, -0.0002005900000000, 0.0002388100000000 ] - [ 0.0000518600000000, 0.0006775700000000, -0.0000174200000000 ] - [ -0.0012295900000000, 0.0046964300000000, -0.0011771800000000 ] - [ 0.0021181400000000, 0.0014303100000000, 0.0034569000000000 ] - [ -0.0004803500000000, 0.0001368800000000, 0.0000828400000000 ] - [ -0.0002661300000000, -0.0001224000000000, 0.0008827800000000 ] - [ -0.0001087600000000, -0.0004010000000000, 0.0007664200000000 ] - [ -0.0003678600000000, -0.0078421400000000, -0.0000291100000000 ] - [ -0.0001496400000000, -0.0013835900000000, 0.0001272100000000 ] - [ -0.0001129000000000, 0.0051869900000000, -0.0000090400000000 ] - [ 0.0000873800000000, 0.0002158000000000, -0.0007207600000000 ] - [ 0.0016268300000000, 0.0035705800000000, -0.0034492900000000 ] - [ -0.0001743300000000, 0.0006519600000000, -0.0004550900000000 ]- atom: 1 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0040278000000000, 0.0542139300000000, -0.0025911700000000 ] - [ -0.0002596300000000, 0.0003541800000000, -0.0004194800000000 ] - [ 0.0002061900000000, -0.0002898100000000, -0.0007094600000000 ] - [ 0.0003072000000000, -0.0000012700000000, -0.0003863500000000 ] - [ -0.0045350100000000, -0.0011160100000000, 0.0024125600000000 ] - [ 0.0027095100000000, -0.0001063700000000, 0.0023030100000000 ] - [ 0.0005515300000000, -0.0067271700000000, 0.0011569900000000 ] - [ -0.0001204300000000, -0.0003957600000000, 0.0003947300000000 ] - [ -0.0001344800000000, 0.0008354600000000, -0.0005782100000000 ] - [ 0.0003337800000000, 0.0035124700000000, 0.0034445800000000 ] - [ 0.0034221300000000, -0.0021314300000000, 0.0002875700000000 ] - [ -0.0079436800000000, -0.0041504400000000, 0.0015642800000000 ] - [ 0.0032174500000000, 0.0011446400000000, -0.0026670600000000 ] - [ -0.0037328300000000, 0.0001113100000000, -0.0019084500000000 ] - [ -0.0006863300000000, -0.0083604200000000, -0.0054159400000000 ] - [ 0.0001357600000000, -0.0002926400000000, 0.0002193400000000 ] - [ 0.0014156700000000, 0.0024705100000000, -0.0042998600000000 ] - [ -0.0001133200000000, -0.0000272400000000, -0.0001553600000000 ] - [ 0.0009760500000000, -0.0007072000000000, -0.0003126200000000 ] - [ -0.0003147600000000, 0.0003695300000000, -0.0002154900000000 ] - [ 0.0001424300000000, 0.0001750000000000, 0.0003204700000000 ] - [ 0.0001149100000000, 0.0001688500000000, 0.0002188000000000 ] - [ 0.0034405200000000, -0.0071322000000000, 0.0005085300000000 ] - [ 0.0001331000000000, -0.0002823600000000, 0.0002555300000000 ] - [ 0.0024176800000000, -0.0126255600000000, 0.0069127400000000 ] - [ -0.0004970200000000, -0.0001403600000000, -0.0000220800000000 ] - [ -0.0004871400000000, 0.0002205400000000, 0.0000729200000000 ] - [ -0.0002834000000000, 0.0000135600000000, -0.0001390300000000 ] - [ 0.0002329400000000, -0.0004634700000000, 0.0001816100000000 ] - [ -0.0000705400000000, 0.0010154600000000, 0.0005058900000000 ] - [ -0.0002170000000000, -0.0001177000000000, 0.0007924100000000 ] - [ 0.0001868000000000, -0.0000875200000000, 0.0000864100000000 ] - [ -0.0014746900000000, -0.0072530300000000, 0.0000813000000000 ] - [ -0.0003197300000000, -0.0002756400000000, -0.0000588900000000 ] - [ -0.0004530000000000, 0.0000291700000000, 0.0003107100000000 ] - [ -0.0002902800000000, -0.0000508200000000, -0.0001123900000000 ] - [ 0.0004764600000000, 0.0001665400000000, 0.0001750300000000 ] - [ -0.0013795500000000, -0.0001217300000000, -0.0014856000000000 ] - [ 0.0003781400000000, 0.0034873500000000, 0.0016019100000000 ] - [ 0.0002286400000000, 0.0002443000000000, 0.0000290700000000 ] - [ 0.0003788700000000, 0.0001760500000000, -0.0002283500000000 ] - [ 0.0003070400000000, 0.0002070600000000, -0.0003744900000000 ] - [ -0.0019019100000000, -0.0055739900000000, -0.0008027900000000 ] - [ 0.0002541600000000, -0.0002972200000000, -0.0004935400000000 ] - [ -0.0008372600000000, -0.0002007600000000, 0.0026204700000000 ] - [ -0.0002999000000000, -0.0002823900000000, 0.0001865600000000 ] - [ 0.0029272700000000, 0.0029037900000000, -0.0016628100000000 ] - [ -0.0003338600000000, 0.0004373100000000, 0.0003671400000000 ] - [ 0.0000214000000000, -0.0041494400000000, 0.0005381400000000 ] - [ -0.0005022700000000, -0.0001517400000000, -0.0003332100000000 ] - [ -0.0011272600000000, 0.0009613600000000, -0.0001559000000000 ] - [ 0.0004887200000000, 0.0004939100000000, 0.0005317400000000 ] - [ 0.0005508300000000, -0.0006673500000000, -0.0001901600000000 ] - [ 0.0004498600000000, -0.0003800800000000, 0.0001195600000000 ] - [ 0.0004627300000000, -0.0022115000000000, 0.0001793400000000 ] - [ 0.0001085900000000, 0.0002966700000000, 0.0000362000000000 ] - [ 0.0010411500000000, -0.0014269800000000, -0.0011298100000000 ] - [ 0.0001095400000000, -0.0000178600000000, 0.0002826600000000 ] - [ 0.0001513900000000, 0.0013184600000000, -0.0000794000000000 ] - [ 0.0001789700000000, 0.0007883000000000, 0.0002182600000000 ] - [ -0.0004864800000000, -0.0036530400000000, -0.0002468400000000 ] - [ 0.0001062000000000, -0.0012626400000000, -0.0003540500000000 ] - [ -0.0000567900000000, -0.0001256200000000, -0.0010366600000000 ] - [ -0.0001086300000000, -0.0007540800000000, 0.0002014000000000 ] - [ -0.0032088600000000, 0.0030016700000000, 0.0000928000000000 ] - [ 0.0004236300000000, -0.0000415400000000, 0.0003432000000000 ] - [ -0.0000633900000000, 0.0009972300000000, -0.0001445500000000 ] - [ -0.0002446400000000, 0.0006472700000000, 0.0001624100000000 ] - [ 0.0000404200000000, -0.0002282800000000, -0.0003645200000000 ] - [ 0.0013209900000000, -0.0042491500000000, 0.0007601100000000 ] - [ -0.0020109100000000, -0.0018478600000000, -0.0038633200000000 ] - [ 0.0005923100000000, -0.0005797100000000, -0.0004750200000000 ] - [ 0.0000026400000000, 0.0007729000000000, 0.0001363600000000 ] - [ -0.0001619100000000, 0.0010507500000000, 0.0002434700000000 ] - [ 0.0001614400000000, 0.0071892500000000, 0.0010502100000000 ] - [ -0.0001238000000000, 0.0007214500000000, 0.0008853000000000 ] - [ 0.0004258400000000, -0.0058357100000000, -0.0010310900000000 ] - [ 0.0001769100000000, -0.0008701600000000, -0.0002964500000000 ] - [ -0.0013931400000000, -0.0028441100000000, 0.0025086500000000 ] - [ 0.0004382300000000, 0.0000111400000000, -0.0005599900000000 ]- atom: 1 displacement: [ -0.0052559485207597, 0.0000000000000000, 0.0085073500660972 ] forces: - [ 0.0391450600000000, 0.0039881400000000, -0.0625228100000000 ] - [ -0.0024768900000000, -0.0001051400000000, -0.0003213800000000 ] - [ -0.0046373500000000, -0.0003804500000000, 0.0067878000000000 ] - [ 0.0022748600000000, -0.0001645000000000, 0.0001173400000000 ] - [ -0.0057001300000000, -0.0041128200000000, 0.0036358600000000 ] - [ 0.0008981000000000, -0.0002017900000000, -0.0016731600000000 ] - [ 0.0014992200000000, 0.0003996100000000, 0.0016442000000000 ] - [ -0.0008722100000000, 0.0000709000000000, 0.0015434300000000 ] - [ -0.0000439600000000, 0.0005087000000000, 0.0040569500000000 ] - [ 0.0025118400000000, -0.0026772900000000, 0.0116632900000000 ] - [ -0.0015654600000000, 0.0023210200000000, -0.0038174800000000 ] - [ -0.0068133900000000, -0.0059829200000000, -0.0020159800000000 ] - [ -0.0088968600000000, 0.0045467200000000, 0.0033181400000000 ] - [ 0.0030763800000000, -0.0006237100000000, -0.0047519800000000 ] - [ 0.0047371700000000, 0.0042037800000000, 0.0016343200000000 ] - [ -0.0012223200000000, 0.0001486100000000, 0.0016675200000000 ] - [ 0.0011382000000000, 0.0041970800000000, 0.0110786900000000 ] - [ -0.0001860500000000, -0.0002464900000000, -0.0001545700000000 ] - [ -0.0030511100000000, 0.0022696000000000, -0.0002376400000000 ] - [ -0.0000281900000000, 0.0000482800000000, -0.0002141800000000 ] - [ -0.0003883800000000, 0.0002121900000000, 0.0007505700000000 ] - [ 0.0007795200000000, 0.0004225800000000, 0.0001504900000000 ] - [ 0.0016465800000000, 0.0002930900000000, -0.0007727600000000 ] - [ -0.0004456400000000, 0.0001389200000000, 0.0001950400000000 ] - [ 0.0054138300000000, -0.0046562900000000, -0.0039422100000000 ] - [ -0.0010599700000000, -0.0001988700000000, 0.0003617300000000 ] - [ -0.0016292600000000, 0.0001500500000000, 0.0011836300000000 ] - [ 0.0003917000000000, -0.0000079500000000, -0.0004216700000000 ] - [ -0.0031916500000000, -0.0001088600000000, 0.0013545000000000 ] - [ 0.0011886000000000, -0.0001442300000000, -0.0034939000000000 ] - [ 0.0009550800000000, -0.0006055100000000, 0.0009399400000000 ] - [ -0.0005529100000000, -0.0000737500000000, 0.0010796000000000 ] - [ 0.0001297400000000, 0.0001871700000000, -0.0000851400000000 ] - [ -0.0005073900000000, -0.0002275400000000, 0.0000090500000000 ] - [ -0.0006378300000000, 0.0001484700000000, 0.0003413300000000 ] - [ 0.0000425400000000, -0.0000263500000000, -0.0000602100000000 ] - [ -0.0004930400000000, 0.0000015400000000, 0.0004755200000000 ] - [ 0.0011603800000000, 0.0008983000000000, 0.0001225000000000 ] - [ 0.0039117500000000, -0.0016701000000000, 0.0022082300000000 ] - [ -0.0001785300000000, 0.0001757800000000, 0.0002403200000000 ] - [ 0.0002305300000000, 0.0002027100000000, 0.0003808300000000 ] - [ 0.0004174800000000, 0.0002942200000000, -0.0001267300000000 ] - [ -0.0002667700000000, -0.0024482900000000, -0.0030472200000000 ] - [ 0.0000916300000000, -0.0003221700000000, -0.0006114100000000 ] - [ -0.0003761800000000, -0.0025653100000000, 0.0062944400000000 ] - [ -0.0000855800000000, -0.0004106400000000, 0.0007131300000000 ] - [ -0.0101956500000000, 0.0039580000000000, 0.0073111700000000 ] - [ -0.0004304900000000, 0.0000424000000000, -0.0003913700000000 ] - [ -0.0058061000000000, -0.0009408000000000, 0.0009939500000000 ] - [ 0.0012087300000000, 0.0002587200000000, -0.0016704500000000 ] - [ 0.0033306000000000, -0.0012513500000000, -0.0008800400000000 ] - [ -0.0017213500000000, -0.0005920400000000, 0.0011963200000000 ] - [ 0.0024421600000000, 0.0000459200000000, -0.0032777700000000 ] - [ -0.0012151700000000, -0.0002241000000000, 0.0002603300000000 ] - [ -0.0036465700000000, -0.0006104600000000, 0.0058789000000000 ] - [ 0.0015481000000000, -0.0000624200000000, -0.0001898900000000 ] - [ -0.0037665100000000, 0.0008575700000000, 0.0058341200000000 ] - [ 0.0009175900000000, -0.0002486100000000, -0.0003758200000000 ] - [ 0.0016452400000000, 0.0001540800000000, -0.0021501000000000 ] - [ -0.0004141300000000, 0.0003194100000000, 0.0007678900000000 ] - [ -0.0068709900000000, 0.0006131700000000, 0.0071414100000000 ] - [ 0.0012864000000000, 0.0001618400000000, 0.0032800100000000 ] - [ -0.0007314800000000, 0.0014602000000000, -0.0043866700000000 ] - [ -0.0007892600000000, -0.0008146200000000, -0.0020668000000000 ] - [ -0.0029662300000000, -0.0011443700000000, 0.0061854700000000 ] - [ 0.0011980100000000, 0.0000468200000000, 0.0006761500000000 ] - [ 0.0011899800000000, 0.0001802200000000, -0.0020715600000000 ] - [ -0.0011393500000000, 0.0001652100000000, -0.0002946300000000 ] - [ 0.0035192400000000, 0.0003161400000000, -0.0023850200000000 ] - [ -0.0023884500000000, 0.0008084800000000, 0.0055013000000000 ] - [ -0.0046627200000000, 0.0017304700000000, -0.0009244900000000 ] - [ 0.0020488100000000, -0.0000800100000000, -0.0018151000000000 ] - [ 0.0011725400000000, 0.0002264800000000, -0.0018837900000000 ] - [ -0.0020315800000000, 0.0006404100000000, -0.0001891000000000 ] - [ -0.0014675900000000, 0.0009553000000000, 0.0041595600000000 ] - [ 0.0017805400000000, -0.0001993600000000, 0.0010955800000000 ] - [ -0.0019396400000000, -0.0009962600000000, 0.0043892100000000 ] - [ 0.0001850800000000, -0.0001087500000000, -0.0002125500000000 ] - [ 0.0021286300000000, -0.0043426100000000, -0.0048580100000000 ] - [ 0.0002484300000000, 0.0008084100000000, -0.0003261700000000 ]- atom: 1 displacement: [ 0.0052559485207597, 0.0000000000000000, -0.0085073500660972 ] forces: - [ -0.0388807400000000, -0.0038430600000000, 0.0620840800000000 ] - [ 0.0024359100000000, 0.0001616200000000, -0.0005342800000000 ] - [ 0.0046008600000000, 0.0003381100000000, -0.0076531200000000 ] - [ -0.0023232400000000, 0.0001037300000000, -0.0009918200000000 ] - [ 0.0057172000000000, 0.0040220600000000, -0.0027772900000000 ] - [ -0.0008872800000000, 0.0001584300000000, 0.0025252200000000 ] - [ -0.0014706200000000, -0.0003448400000000, -0.0007558800000000 ] - [ 0.0009195800000000, -0.0000168900000000, -0.0006862400000000 ] - [ -0.0002400300000000, -0.0002300000000000, -0.0040582100000000 ] - [ -0.0027201900000000, 0.0029328600000000, -0.0115839600000000 ] - [ 0.0013155000000000, -0.0026032900000000, 0.0038219100000000 ] - [ 0.0065517400000000, 0.0057502200000000, 0.0020912600000000 ] - [ 0.0092428500000000, -0.0048891100000000, -0.0033303300000000 ] - [ -0.0027922000000000, 0.0003443200000000, 0.0047501200000000 ] - [ -0.0044328800000000, -0.0039034000000000, -0.0016831300000000 ] - [ 0.0014792700000000, 0.0001358300000000, -0.0016863400000000 ] - [ -0.0015051900000000, -0.0045896300000000, -0.0116868600000000 ] - [ -0.0001077600000000, -0.0000418900000000, -0.0002668600000000 ] - [ 0.0027409700000000, -0.0019679900000000, -0.0001815200000000 ] - [ -0.0002757200000000, 0.0002433200000000, -0.0002065300000000 ] - [ 0.0006834300000000, 0.0000753000000000, -0.0003323500000000 ] - [ -0.0004809800000000, -0.0001299100000000, 0.0002689200000000 ] - [ -0.0013324400000000, -0.0006031800000000, 0.0011858900000000 ] - [ 0.0007441300000000, -0.0004300500000000, 0.0002278600000000 ] - [ -0.0060831900000000, 0.0044433900000000, 0.0037757600000000 ] - [ 0.0003729300000000, -0.0000659800000000, -0.0004687300000000 ] - [ 0.0009453700000000, 0.0001142100000000, -0.0012941100000000 ] - [ -0.0010783000000000, 0.0002733100000000, 0.0003135000000000 ] - [ 0.0038280300000000, 0.0003730400000000, -0.0012880700000000 ] - [ -0.0005421500000000, 0.0004110900000000, 0.0036319200000000 ] - [ -0.0002852600000000, 0.0003439100000000, -0.0008313600000000 ] - [ 0.0012446800000000, -0.0001903700000000, -0.0009734300000000 ] - [ -0.0006998800000000, -0.0003096500000000, -0.0000444300000000 ] - [ -0.0000638300000000, 0.0001268800000000, -0.0001369700000000 ] - [ 0.0000682400000000, -0.0000528800000000, -0.0004702500000000 ] - [ -0.0006158300000000, 0.0001287500000000, -0.0000686200000000 ] - [ 0.0010624400000000, 0.0000988600000000, -0.0003496000000000 ] - [ -0.0005960400000000, -0.0008159500000000, 0.0000051300000000 ] - [ -0.0033680100000000, 0.0015845600000000, -0.0020710900000000 ] - [ 0.0007525700000000, -0.0002769100000000, -0.0001124800000000 ] - [ 0.0002842000000000, 0.0004967700000000, -0.0010332000000000 ] - [ 0.0000973600000000, 0.0004065500000000, -0.0005250900000000 ] - [ 0.0007933200000000, 0.0017525600000000, 0.0023849300000000 ] - [ 0.0004225400000000, -0.0003782900000000, -0.0000378300000000 ] - [ -0.0001222000000000, 0.0019015400000000, -0.0057432100000000 ] - [ -0.0004288000000000, -0.0002895700000000, -0.0000624700000000 ] - [ 0.0095146900000000, -0.0031618100000000, -0.0065270700000000 ] - [ -0.0000887400000000, 0.0006592000000000, 0.0010464700000000 ] - [ 0.0052453900000000, 0.0009684600000000, -0.0013245800000000 ] - [ -0.0017773000000000, -0.0001763900000000, 0.0015220300000000 ] - [ -0.0038815400000000, 0.0011632900000000, 0.0007408700000000 ] - [ 0.0011765100000000, 0.0005246500000000, -0.0013394800000000 ] - [ -0.0018844100000000, -0.0001212400000000, 0.0034217400000000 ] - [ 0.0017814300000000, 0.0001385000000000, -0.0001104100000000 ] - [ 0.0042160900000000, 0.0007390200000000, -0.0057480600000000 ] - [ -0.0009919000000000, 0.0001471300000000, 0.0003328900000000 ] - [ 0.0041081000000000, -0.0014419900000000, -0.0054056300000000 ] - [ -0.0005020900000000, -0.0001018500000000, 0.0006197600000000 ] - [ -0.0012374800000000, 0.0001960600000000, 0.0023914900000000 ] - [ 0.0008187500000000, 0.0000306700000000, -0.0005208600000000 ] - [ 0.0060284900000000, -0.0002654300000000, -0.0072832200000000 ] - [ -0.0016824200000000, 0.0001868800000000, -0.0035628700000000 ] - [ 0.0003453700000000, -0.0018251100000000, 0.0041656700000000 ] - [ 0.0003692200000000, 0.0004599900000000, 0.0018286700000000 ] - [ 0.0029008800000000, 0.0006514400000000, -0.0057976000000000 ] - [ -0.0013072100000000, -0.0004952300000000, -0.0002779500000000 ] - [ -0.0013069700000000, 0.0002704400000000, 0.0024728900000000 ] - [ 0.0010347600000000, 0.0002817100000000, 0.0006914500000000 ] - [ -0.0034098700000000, 0.0001332900000000, 0.0020060200000000 ] - [ 0.0025666800000000, -0.0003546000000000, -0.0058234700000000 ] - [ 0.0047874600000000, -0.0021868400000000, 0.0004994300000000 ] - [ -0.0019496500000000, -0.0003731000000000, 0.0014177600000000 ] - [ -0.0014306500000000, 0.0004339700000000, 0.0029031500000000 ] - [ 0.0017581300000000, 0.0000192900000000, 0.0012103800000000 ] - [ 0.0011760500000000, -0.0016099700000000, -0.0031465100000000 ] - [ -0.0020466700000000, -0.0004585400000000, -0.0000921900000000 ] - [ 0.0026211400000000, 0.0004592200000000, -0.0060258400000000 ] - [ 0.0000754300000000, -0.0005502000000000, -0.0008018500000000 ] - [ -0.0020269400000000, 0.0050630700000000, 0.0040655800000000 ] - [ 0.0000289200000000, -0.0001523600000000, -0.0006894900000000 ]- atom: 9 displacement: [ 0.0099987479920404, 0.0000000000000000, -0.0001582358735165 ] forces: - [ 0.0007446600000000, 0.0000199200000000, 0.0000742000000000 ] - [ -0.0045419900000000, -0.0003894100000000, -0.0003420700000000 ] - [ 0.0056618000000000, 0.0035586100000000, 0.0014662600000000 ] - [ 0.0069164500000000, -0.0078547700000000, -0.0039358400000000 ] - [ 0.0063162100000000, -0.0031688200000000, -0.0064370200000000 ] - [ 0.0060738600000000, 0.0037895500000000, 0.0076817400000000 ] - [ -0.0047532600000000, -0.0007028900000000, 0.0028270700000000 ] - [ 0.0020402700000000, 0.0000254100000000, 0.0000652300000000 ] - [ -0.0644654600000000, 0.0030910700000000, -0.0011422300000000 ] - [ 0.0045930200000000, 0.0000872700000000, -0.0000238800000000 ] - [ -0.0003576500000000, 0.0004026600000000, -0.0034635700000000 ] - [ 0.0011466700000000, -0.0001153800000000, 0.0028857700000000 ] - [ 0.0022802000000000, -0.0003321900000000, 0.0037695600000000 ] - [ 0.0002313300000000, 0.0004411100000000, -0.0079186200000000 ] - [ 0.0032031800000000, 0.0002669600000000, 0.0003635200000000 ] - [ -0.0087890400000000, -0.0004924100000000, -0.0021351900000000 ] - [ -0.0007707300000000, -0.0001819700000000, 0.0036960700000000 ] - [ 0.0003940100000000, 0.0000599300000000, -0.0003552400000000 ] - [ 0.0006254800000000, 0.0000744400000000, -0.0003121000000000 ] - [ 0.0010868100000000, -0.0006881100000000, 0.0003300600000000 ] - [ 0.0046967600000000, -0.0006864400000000, 0.0013902900000000 ] - [ 0.0037120200000000, 0.0007306800000000, -0.0004956800000000 ] - [ 0.0001990100000000, -0.0002082000000000, 0.0001568100000000 ] - [ -0.0000987200000000, -0.0001592500000000, 0.0004993100000000 ] - [ 0.0001325200000000, -0.0001851100000000, -0.0003802700000000 ] - [ -0.0024554900000000, -0.0008040300000000, -0.0001831400000000 ] - [ 0.0004362000000000, 0.0000228500000000, 0.0000590300000000 ] - [ 0.0004529500000000, 0.0004237400000000, -0.0011663500000000 ] - [ 0.0034412500000000, -0.0000276500000000, -0.0026275800000000 ] - [ 0.0007118100000000, 0.0000402500000000, 0.0005735200000000 ] - [ -0.0038071200000000, -0.0007788100000000, 0.0011586600000000 ] - [ 0.0011294500000000, -0.0000832000000000, -0.0005693200000000 ] - [ -0.0001891300000000, 0.0001192700000000, -0.0000359300000000 ] - [ -0.0005734900000000, -0.0000478400000000, 0.0001207400000000 ] - [ 0.0005863500000000, -0.0011642600000000, 0.0000257800000000 ] - [ 0.0017238400000000, 0.0071450300000000, -0.0016711500000000 ] - [ 0.0021767900000000, 0.0023821100000000, -0.0014971800000000 ] - [ 0.0007519600000000, 0.0001660800000000, 0.0003602200000000 ] - [ -0.0010652900000000, 0.0001037800000000, -0.0013100300000000 ] - [ 0.0005478400000000, -0.0002085000000000, 0.0000685100000000 ] - [ 0.0029856400000000, -0.0020971900000000, 0.0002780500000000 ] - [ 0.0007808000000000, 0.0011768200000000, -0.0007934900000000 ] - [ 0.0005382700000000, -0.0004370400000000, -0.0004983600000000 ] - [ 0.0003009900000000, -0.0000105300000000, 0.0003445200000000 ] - [ -0.0000889800000000, 0.0005076100000000, 0.0021570600000000 ] - [ 0.0002621900000000, -0.0004056500000000, 0.0002050300000000 ] - [ 0.0001008500000000, 0.0003700600000000, -0.0000295500000000 ] - [ 0.0017628000000000, -0.0004535900000000, 0.0034047500000000 ] - [ 0.0049897900000000, -0.0003425000000000, -0.0013682100000000 ] - [ -0.0015665700000000, 0.0001818200000000, -0.0000151700000000 ] - [ -0.0009836400000000, -0.0010952200000000, 0.0014135200000000 ] - [ -0.0024501700000000, 0.0000445200000000, -0.0015060300000000 ] - [ -0.0054296200000000, 0.0006765900000000, -0.0010240300000000 ] - [ 0.0122334700000000, 0.0019033600000000, -0.0000432900000000 ] - [ -0.0000379400000000, -0.0001465900000000, -0.0004100500000000 ] - [ 0.0012091900000000, 0.0001244600000000, 0.0003782500000000 ] - [ -0.0017710300000000, 0.0000544300000000, 0.0004219400000000 ] - [ 0.0058497200000000, 0.0010462900000000, 0.0015680300000000 ] - [ -0.0013173300000000, 0.0011036600000000, -0.0030919400000000 ] - [ -0.0009945100000000, -0.0000867900000000, 0.0026942900000000 ] - [ -0.0026723100000000, 0.0002442100000000, 0.0036309200000000 ] - [ -0.0010807900000000, 0.0001788000000000, -0.0034358200000000 ] - [ 0.0067672100000000, 0.0028081700000000, 0.0000960800000000 ] - [ -0.0027617900000000, -0.0002487200000000, 0.0002897300000000 ] - [ -0.0014410900000000, -0.0001515700000000, -0.0011819600000000 ] - [ 0.0018443800000000, -0.0000071600000000, 0.0013126700000000 ] - [ -0.0024891000000000, 0.0009323700000000, -0.0000698600000000 ] - [ 0.0026255800000000, -0.0045215500000000, 0.0019540400000000 ] - [ 0.0052490700000000, 0.0011111600000000, 0.0020098300000000 ] - [ -0.0021729200000000, 0.0004471900000000, -0.0014781400000000 ] - [ 0.0035616600000000, 0.0013727100000000, 0.0019451500000000 ] - [ -0.0016118600000000, -0.0002962900000000, -0.0008425500000000 ] - [ 0.0106907700000000, -0.0072317900000000, 0.0037891300000000 ] - [ -0.0045148300000000, -0.0016249800000000, 0.0003644300000000 ] - [ 0.0001192400000000, -0.0003639400000000, 0.0015554500000000 ] - [ -0.0003730700000000, -0.0007320000000000, -0.0010408100000000 ] - [ -0.0003017200000000, -0.0008173300000000, -0.0041160600000000 ] - [ -0.0009512600000000, -0.0000319400000000, 0.0013116700000000 ] - [ -0.0018825500000000, 0.0001250600000000, 0.0000443400000000 ] - [ 0.0048761700000000, 0.0020215400000000, -0.0017935300000000 ]- atom: 9 displacement: [ -0.0099987479920404, 0.0000000000000000, 0.0001582358735165 ] forces: - [ -0.0007951800000000, 0.0000332000000000, -0.0009565800000000 ] - [ 0.0045107200000000, 0.0004331400000000, -0.0004655700000000 ] - [ -0.0057020300000000, -0.0035722500000000, -0.0023107900000000 ] - [ -0.0069827000000000, 0.0078856300000000, 0.0031090500000000 ] - [ -0.0062472900000000, 0.0030816100000000, 0.0072442400000000 ] - [ -0.0060620000000000, -0.0038875800000000, -0.0068903400000000 ] - [ 0.0047867800000000, 0.0007751200000000, -0.0019946100000000 ] - [ -0.0020017900000000, 0.0000296700000000, 0.0008055300000000 ] - [ 0.0647874800000000, -0.0024158400000000, 0.0010875700000000 ] - [ -0.0048608800000000, 0.0001988700000000, 0.0000343500000000 ] - [ 0.0000934600000000, -0.0006903400000000, 0.0034830700000000 ] - [ -0.0014165800000000, -0.0001663200000000, -0.0028749300000000 ] - [ -0.0020141000000000, 0.0000467900000000, -0.0037704500000000 ] - [ 0.0000574000000000, -0.0007258700000000, 0.0079526000000000 ] - [ -0.0029399000000000, 0.0000136000000000, -0.0003853700000000 ] - [ 0.0090487800000000, 0.0007713100000000, 0.0021497800000000 ] - [ 0.0004397000000000, -0.0001127700000000, -0.0041347700000000 ] - [ -0.0006919100000000, -0.0003500600000000, -0.0000655200000000 ] - [ -0.0009242800000000, 0.0002171000000000, -0.0001124200000000 ] - [ -0.0013705800000000, 0.0009734600000000, -0.0007548700000000 ] - [ -0.0043725300000000, 0.0009385000000000, -0.0009548400000000 ] - [ -0.0034966600000000, -0.0004334000000000, 0.0009757200000000 ] - [ 0.0000987700000000, -0.0000828100000000, 0.0002637600000000 ] - [ 0.0003999200000000, -0.0001318700000000, -0.0000736700000000 ] - [ -0.0008192700000000, -0.0000802800000000, 0.0002701700000000 ] - [ 0.0017546500000000, 0.0005416400000000, 0.0000996300000000 ] - [ -0.0011287500000000, 0.0002418800000000, -0.0001619500000000 ] - [ -0.0011333500000000, -0.0001621800000000, 0.0010575300000000 ] - [ -0.0027716000000000, 0.0003020600000000, 0.0027420700000000 ] - [ -0.0000237200000000, 0.0002267400000000, -0.0004709400000000 ] - [ 0.0044995300000000, 0.0004741100000000, -0.0010871200000000 ] - [ -0.0004445500000000, -0.0001822300000000, 0.0006804600000000 ] - [ -0.0003837700000000, -0.0002232400000000, -0.0000929400000000 ] - [ 0.0000008400000000, -0.0000533700000000, -0.0002456700000000 ] - [ -0.0011558300000000, 0.0012534400000000, -0.0001532600000000 ] - [ -0.0022850600000000, -0.0071357500000000, 0.0015630700000000 ] - [ -0.0015935500000000, -0.0022641400000000, 0.0015896600000000 ] - [ -0.0001796700000000, -0.0000609200000000, -0.0002339700000000 ] - [ 0.0016558200000000, -0.0002200400000000, 0.0014225000000000 ] - [ 0.0000247600000000, 0.0001069700000000, 0.0000606500000000 ] - [ -0.0024545800000000, 0.0027406000000000, -0.0009415600000000 ] - [ -0.0002668100000000, -0.0004809600000000, 0.0001471100000000 ] - [ -0.0000231000000000, -0.0002627400000000, -0.0001570300000000 ] - [ 0.0002251400000000, -0.0006838100000000, -0.0009838300000000 ] - [ -0.0004451800000000, -0.0011950500000000, -0.0015171200000000 ] - [ -0.0007783300000000, -0.0002948600000000, 0.0004495300000000 ] - [ -0.0006173600000000, 0.0003305700000000, 0.0006770100000000 ] - [ -0.0022805900000000, 0.0011708700000000, -0.0027775900000000 ] - [ -0.0055578100000000, 0.0004307700000000, 0.0012692900000000 ] - [ 0.0010056400000000, -0.0001001500000000, -0.0001353700000000 ] - [ 0.0004337600000000, 0.0010181600000000, -0.0015524900000000 ] - [ 0.0018788000000000, -0.0001192200000000, 0.0013712100000000 ] - [ 0.0059575900000000, -0.0007385400000000, 0.0011568000000000 ] - [ -0.0126297500000000, -0.0021702700000000, 0.0003736400000000 ] - [ 0.0006006000000000, 0.0002318400000000, 0.0005604100000000 ] - [ -0.0006525600000000, -0.0000391000000000, -0.0002468400000000 ] - [ 0.0021766000000000, -0.0004043600000000, -0.0001668700000000 ] - [ -0.0054434800000000, -0.0014015000000000, -0.0013380000000000 ] - [ 0.0017403800000000, -0.0007511000000000, 0.0033414700000000 ] - [ 0.0013959900000000, 0.0004383500000000, -0.0024606500000000 ] - [ 0.0022806300000000, 0.0000948100000000, -0.0038835400000000 ] - [ 0.0006655300000000, 0.0001625200000000, 0.0031970300000000 ] - [ -0.0071522500000000, -0.0030396500000000, -0.0002736700000000 ] - [ 0.0023626700000000, -0.0001029400000000, -0.0005394400000000 ] - [ 0.0013436200000000, -0.0002957900000000, 0.0015915400000000 ] - [ -0.0019380100000000, -0.0004398700000000, -0.0009256400000000 ] - [ 0.0023810200000000, -0.0004762500000000, 0.0004626000000000 ] - [ -0.0027899100000000, 0.0049883000000000, -0.0015593300000000 ] - [ -0.0049247100000000, -0.0005449900000000, -0.0026462100000000 ] - [ 0.0022931600000000, -0.0000058500000000, 0.0010975300000000 ] - [ -0.0034900500000000, -0.0018027600000000, -0.0023250200000000 ] - [ 0.0017226200000000, -0.0001517600000000, 0.0004403200000000 ] - [ -0.0105889900000000, 0.0074343600000000, -0.0026757800000000 ] - [ 0.0042627600000000, 0.0022908600000000, 0.0006445500000000 ] - [ -0.0003922100000000, -0.0002940100000000, -0.0005319300000000 ] - [ 0.0000948200000000, 0.0000722500000000, 0.0020477800000000 ] - [ 0.0005943500000000, 0.0001492500000000, 0.0030998200000000 ] - [ 0.0012212700000000, -0.0006283900000000, -0.0023430200000000 ] - [ 0.0021507400000000, 0.0005294700000000, -0.0010515800000000 ] - [ -0.0047230700000000, -0.0012526500000000, 0.0007040200000000 ]- atom: 9 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000033700000000, -0.0006678900000000, 0.0000153100000000 ] - [ -0.0003481500000000, -0.0033414300000000, -0.0039173200000000 ] - [ 0.0054135200000000, 0.0019381900000000, 0.0000244100000000 ] - [ -0.0071040100000000, 0.0039470900000000, 0.0021117800000000 ] - [ -0.0035683600000000, -0.0012825700000000, 0.0037497100000000 ] - [ 0.0044577500000000, -0.0002468600000000, 0.0026071900000000 ] - [ -0.0008500300000000, 0.0085369100000000, -0.0048363000000000 ] - [ 0.0001658500000000, 0.0004620100000000, 0.0005104300000000 ] - [ 0.0022935800000000, -0.0680684700000000, -0.0035489000000000 ] - [ -0.0001820800000000, -0.0005007100000000, 0.0001272500000000 ] - [ -0.0006803700000000, 0.0012377200000000, 0.0000413600000000 ] - [ -0.0001642600000000, 0.0010401100000000, -0.0003828300000000 ] - [ -0.0000674300000000, -0.0014724500000000, -0.0007352600000000 ] - [ 0.0007030200000000, -0.0017544200000000, -0.0015539900000000 ] - [ 0.0000115200000000, 0.0007498000000000, 0.0001241400000000 ] - [ 0.0007683200000000, 0.0229847600000000, -0.0003116200000000 ] - [ -0.0004689200000000, -0.0023777700000000, 0.0001372100000000 ] - [ -0.0001865900000000, -0.0003096400000000, -0.0002994300000000 ] - [ -0.0000408900000000, 0.0001819200000000, -0.0003208600000000 ] - [ -0.0021671400000000, 0.0019183200000000, -0.0004983300000000 ] - [ -0.0032651400000000, -0.0024788700000000, -0.0002441600000000 ] - [ 0.0004293800000000, 0.0008913500000000, -0.0002610400000000 ] - [ 0.0001184100000000, 0.0000653400000000, 0.0001624400000000 ] - [ 0.0000017500000000, 0.0003950300000000, 0.0001177200000000 ] - [ -0.0002805600000000, -0.0001448100000000, 0.0000067200000000 ] - [ -0.0021228100000000, 0.0006177900000000, 0.0030961000000000 ] - [ -0.0008537800000000, 0.0003390400000000, -0.0000622800000000 ] - [ 0.0018229900000000, 0.0004336000000000, -0.0019579900000000 ] - [ 0.0022373000000000, -0.0000463000000000, -0.0014900800000000 ] - [ -0.0000823200000000, -0.0000301400000000, 0.0001073500000000 ] - [ -0.0013492600000000, 0.0052576100000000, 0.0068127600000000 ] - [ 0.0004344900000000, -0.0001068400000000, 0.0001424200000000 ] - [ -0.0002997500000000, 0.0001587100000000, -0.0001935800000000 ] - [ -0.0003607700000000, 0.0007184900000000, 0.0001903900000000 ] - [ -0.0007576800000000, 0.0000726800000000, -0.0001437600000000 ] - [ 0.0063308600000000, 0.0020726400000000, -0.0020381700000000 ] - [ 0.0023792400000000, 0.0019431000000000, -0.0018593500000000 ] - [ -0.0000700100000000, 0.0000360900000000, -0.0000097500000000 ] - [ 0.0002443500000000, -0.0020860900000000, 0.0027400400000000 ] - [ 0.0002866700000000, -0.0002439400000000, -0.0000474000000000 ] - [ -0.0017321700000000, 0.0037757600000000, -0.0007374000000000 ] - [ 0.0005129100000000, 0.0004234700000000, -0.0003728800000000 ] - [ 0.0001652100000000, -0.0003805200000000, -0.0002711400000000 ] - [ 0.0011463200000000, 0.0007224700000000, 0.0012771600000000 ] - [ 0.0017837600000000, -0.0015227600000000, 0.0038226500000000 ] - [ -0.0003273800000000, -0.0003391500000000, 0.0003765700000000 ] - [ -0.0000884900000000, 0.0003421700000000, 0.0003531700000000 ] - [ -0.0017785900000000, -0.0008199900000000, -0.0014564100000000 ] - [ -0.0002830000000000, 0.0050998700000000, -0.0005023000000000 ] - [ -0.0001768200000000, 0.0005098400000000, 0.0002384500000000 ] - [ -0.0005692300000000, -0.0021001100000000, -0.0000305600000000 ] - [ 0.0015345800000000, -0.0018893200000000, 0.0001433300000000 ] - [ 0.0026424200000000, 0.0024390900000000, 0.0003086800000000 ] - [ 0.0020363800000000, 0.0037908300000000, 0.0000807800000000 ] - [ 0.0003785100000000, -0.0005787100000000, 0.0003143800000000 ] - [ 0.0003284100000000, -0.0010983200000000, 0.0005638800000000 ] - [ 0.0006156200000000, -0.0000737600000000, -0.0000304100000000 ] - [ 0.0017859500000000, 0.0054972500000000, 0.0033044200000000 ] - [ 0.0015804200000000, -0.0019561800000000, 0.0019282400000000 ] - [ -0.0015488400000000, -0.0008215300000000, 0.0015639900000000 ] - [ -0.0016755200000000, 0.0010582700000000, 0.0009537300000000 ] - [ 0.0008458400000000, 0.0017719700000000, 0.0012587300000000 ] - [ 0.0018955100000000, 0.0066940400000000, 0.0000161200000000 ] - [ 0.0003517200000000, -0.0002343900000000, -0.0002956200000000 ] - [ -0.0002998600000000, -0.0001827400000000, -0.0000157300000000 ] - [ 0.0013930900000000, -0.0003051200000000, -0.0016758800000000 ] - [ 0.0004610900000000, -0.0003761200000000, 0.0000931700000000 ] - [ -0.0050654600000000, -0.0066677700000000, 0.0028183400000000 ] - [ -0.0004679700000000, 0.0048209400000000, 0.0014769900000000 ] - [ 0.0004805600000000, 0.0007057600000000, -0.0004009600000000 ] - [ 0.0025319800000000, -0.0013951300000000, -0.0054092500000000 ] - [ -0.0002738700000000, -0.0002658300000000, -0.0004736700000000 ] - [ -0.0078980200000000, 0.0101261700000000, -0.0034109600000000 ] - [ -0.0008065600000000, 0.0000368000000000, 0.0006142400000000 ] - [ -0.0001094800000000, -0.0007667500000000, 0.0006130100000000 ] - [ -0.0009347500000000, -0.0015936300000000, -0.0007133200000000 ] - [ -0.0012857700000000, 0.0017798600000000, -0.0030019300000000 ] - [ 0.0002379200000000, 0.0001232200000000, -0.0003830300000000 ] - [ -0.0003143000000000, 0.0004215300000000, -0.0003031900000000 ] - [ 0.0000958100000000, 0.0023894200000000, -0.0007477000000000 ]- atom: 9 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000480900000000, 0.0007139600000000, -0.0008846600000000 ] - [ 0.0003113800000000, 0.0033685700000000, 0.0030835600000000 ] - [ -0.0054147100000000, -0.0020026200000000, -0.0008771500000000 ] - [ 0.0070169900000000, -0.0040439300000000, -0.0029557300000000 ] - [ 0.0036149900000000, 0.0012526000000000, -0.0029031800000000 ] - [ -0.0044082900000000, 0.0002189100000000, -0.0017326000000000 ] - [ 0.0009002000000000, -0.0084744200000000, 0.0057745200000000 ] - [ -0.0001239300000000, -0.0004020400000000, 0.0003464300000000 ] - [ -0.0031026500000000, 0.0681995200000000, 0.0035833400000000 ] - [ -0.0000746200000000, 0.0007802900000000, -0.0001135400000000 ] - [ 0.0004113100000000, -0.0015247600000000, -0.0000276000000000 ] - [ -0.0001011500000000, -0.0013223000000000, 0.0004025200000000 ] - [ 0.0003351300000000, 0.0011910700000000, 0.0007270400000000 ] - [ -0.0004154000000000, 0.0014868600000000, 0.0015108600000000 ] - [ 0.0002611000000000, -0.0004642200000000, -0.0001378400000000 ] - [ -0.0004877100000000, -0.0226822900000000, 0.0001668000000000 ] - [ 0.0001440500000000, 0.0020718800000000, -0.0005978900000000 ] - [ -0.0001097400000000, 0.0000189800000000, -0.0001236800000000 ] - [ -0.0002524400000000, 0.0001040900000000, -0.0001003300000000 ] - [ 0.0018703700000000, -0.0016289100000000, 0.0000705800000000 ] - [ 0.0035739600000000, 0.0027942100000000, 0.0006678100000000 ] - [ -0.0001214900000000, -0.0005882000000000, 0.0006951700000000 ] - [ 0.0001784800000000, -0.0003550700000000, 0.0002615800000000 ] - [ 0.0002925000000000, -0.0006816100000000, 0.0003028500000000 ] - [ -0.0004051600000000, -0.0001201800000000, -0.0001158200000000 ] - [ 0.0014281700000000, -0.0008834200000000, -0.0032188600000000 ] - [ 0.0001689900000000, -0.0000731800000000, -0.0000474000000000 ] - [ -0.0025314200000000, -0.0001687400000000, 0.0018655800000000 ] - [ -0.0015579600000000, 0.0003138600000000, 0.0016035900000000 ] - [ 0.0007667600000000, 0.0002948600000000, 0.0000019800000000 ] - [ 0.0020232000000000, -0.0054542200000000, -0.0065999000000000 ] - [ 0.0002543200000000, -0.0001588200000000, -0.0000343600000000 ] - [ -0.0002716600000000, -0.0002582500000000, 0.0000663400000000 ] - [ -0.0002114900000000, -0.0008142500000000, -0.0003185800000000 ] - [ 0.0001869200000000, 0.0000287200000000, 0.0000159900000000 ] - [ -0.0069813300000000, -0.0019613100000000, 0.0019328000000000 ] - [ -0.0017916400000000, -0.0018440100000000, 0.0019787200000000 ] - [ 0.0006413100000000, 0.0000636900000000, 0.0001379500000000 ] - [ 0.0003303100000000, 0.0019474600000000, -0.0026124000000000 ] - [ 0.0002860600000000, 0.0001406500000000, 0.0001751600000000 ] - [ 0.0023047700000000, -0.0031219300000000, 0.0000701900000000 ] - [ 0.0000007300000000, 0.0002850700000000, -0.0002823000000000 ] - [ 0.0003525800000000, -0.0003173600000000, -0.0003811300000000 ] - [ -0.0006203900000000, -0.0014128800000000, -0.0019142300000000 ] - [ -0.0022815600000000, 0.0008011800000000, -0.0031376600000000 ] - [ -0.0001870600000000, -0.0003629800000000, 0.0002755400000000 ] - [ -0.0004282900000000, 0.0003559600000000, 0.0002962000000000 ] - [ 0.0012516600000000, 0.0015204300000000, 0.0020962300000000 ] - [ -0.0002791900000000, -0.0050166500000000, 0.0004384000000000 ] - [ -0.0003851100000000, -0.0004260300000000, -0.0003810000000000 ] - [ -0.0000118600000000, 0.0020282700000000, -0.0001002500000000 ] - [ -0.0020945000000000, 0.0018057600000000, -0.0002807800000000 ] - [ -0.0020958500000000, -0.0025350600000000, -0.0001659800000000 ] - [ -0.0015242100000000, -0.0038932900000000, 0.0000751000000000 ] - [ 0.0001785800000000, 0.0006646900000000, -0.0001805700000000 ] - [ 0.0002308400000000, 0.0011811000000000, -0.0004027000000000 ] - [ -0.0002136400000000, -0.0002775700000000, 0.0002783600000000 ] - [ -0.0014562100000000, -0.0060204500000000, -0.0033447000000000 ] - [ -0.0011836400000000, 0.0023071100000000, -0.0016860800000000 ] - [ 0.0019737300000000, 0.0011639400000000, -0.0013283500000000 ] - [ 0.0012764800000000, -0.0007059500000000, -0.0011995100000000 ] - [ -0.0012489500000000, -0.0014155100000000, -0.0015012400000000 ] - [ -0.0020655500000000, -0.0064520200000000, -0.0000303100000000 ] - [ -0.0007574200000000, -0.0001138800000000, 0.0000494000000000 ] - [ 0.0001896800000000, -0.0002677300000000, 0.0004106800000000 ] - [ -0.0014985100000000, -0.0001522200000000, 0.0020770300000000 ] - [ -0.0005763100000000, 0.0008208300000000, 0.0003043300000000 ] - [ 0.0050043600000000, 0.0070805900000000, -0.0024488100000000 ] - [ 0.0006116000000000, -0.0043587900000000, -0.0019175800000000 ] - [ -0.0003716200000000, -0.0002545200000000, 0.0000025300000000 ] - [ -0.0023934600000000, 0.0009815800000000, 0.0049787900000000 ] - [ 0.0003794900000000, -0.0001804700000000, 0.0000733300000000 ] - [ 0.0081201600000000, -0.0099491300000000, 0.0045503000000000 ] - [ 0.0005220900000000, 0.0006015200000000, 0.0003991400000000 ] - [ -0.0001567700000000, 0.0000974800000000, 0.0004013400000000 ] - [ 0.0006602800000000, 0.0009220100000000, 0.0017129100000000 ] - [ 0.0015539200000000, -0.0024091200000000, 0.0019717200000000 ] - [ 0.0000251500000000, -0.0007723400000000, -0.0006289600000000 ] - [ 0.0005736700000000, 0.0002419100000000, -0.0007070400000000 ] - [ 0.0000347100000000, -0.0015269700000000, -0.0004119400000000 ]- atom: 9 displacement: [ -0.0052559485207597, 0.0000000000000000, 0.0085073500660972 ] forces: - [ -0.0000419000000000, 0.0005294600000000, 0.0035547000000000 ] - [ 0.0031793700000000, -0.0026507200000000, 0.0115325100000000 ] - [ -0.0010166900000000, -0.0016648900000000, -0.0039530800000000 ] - [ -0.0058654500000000, 0.0054444000000000, -0.0019873400000000 ] - [ -0.0081670000000000, 0.0038288300000000, 0.0042803800000000 ] - [ 0.0032058400000000, -0.0004372200000000, -0.0041745000000000 ] - [ 0.0041073800000000, -0.0041940000000000, 0.0017528200000000 ] - [ -0.0012624400000000, 0.0002193500000000, 0.0021503400000000 ] - [ 0.0321138900000000, -0.0042272900000000, -0.0567722800000000 ] - [ -0.0026411700000000, 0.0002718300000000, 0.0002035000000000 ] - [ -0.0029010300000000, -0.0004552800000000, 0.0044979500000000 ] - [ 0.0016457200000000, 0.0001763700000000, 0.0001235500000000 ] - [ 0.0022040200000000, -0.0006593000000000, -0.0003566300000000 ] - [ -0.0065428500000000, -0.0017514100000000, 0.0093582300000000 ] - [ -0.0011574500000000, -0.0000355500000000, 0.0000775200000000 ] - [ 0.0029259000000000, 0.0006732600000000, -0.0036629100000000 ] - [ 0.0040786800000000, 0.0010114600000000, 0.0031109100000000 ] - [ -0.0007338300000000, -0.0003319900000000, 0.0001982800000000 ] - [ -0.0011172000000000, 0.0002661400000000, -0.0002013300000000 ] - [ 0.0008936700000000, -0.0004786500000000, -0.0003405200000000 ] - [ -0.0013580900000000, 0.0005013900000000, -0.0011851000000000 ] - [ -0.0022987700000000, -0.0007644700000000, 0.0012468900000000 ] - [ 0.0000574500000000, -0.0000749800000000, 0.0005455200000000 ] - [ 0.0005789900000000, -0.0000364500000000, 0.0003658200000000 ] - [ -0.0005719900000000, -0.0001043800000000, 0.0004522900000000 ] - [ -0.0014426700000000, 0.0024143700000000, 0.0050510700000000 ] - [ -0.0003436900000000, 0.0002459500000000, -0.0004320500000000 ] - [ -0.0012889300000000, -0.0000939900000000, 0.0007685800000000 ] - [ -0.0044674400000000, 0.0003805600000000, 0.0041815300000000 ] - [ 0.0010568700000000, 0.0001369000000000, -0.0006035300000000 ] - [ 0.0027416700000000, 0.0049920100000000, 0.0007367300000000 ] - [ -0.0001167400000000, -0.0001723000000000, 0.0005348400000000 ] - [ -0.0001321500000000, -0.0000034900000000, 0.0001139800000000 ] - [ -0.0003007200000000, 0.0002285900000000, 0.0000764000000000 ] - [ -0.0006575000000000, 0.0005868700000000, -0.0001773000000000 ] - [ -0.0027787800000000, -0.0055145500000000, -0.0007897400000000 ] - [ -0.0020885600000000, -0.0032996100000000, 0.0012901900000000 ] - [ 0.0003420600000000, 0.0002063700000000, -0.0002006900000000 ] - [ -0.0005441000000000, 0.0030754900000000, 0.0040755600000000 ] - [ 0.0003224500000000, -0.0000970500000000, 0.0002935500000000 ] - [ -0.0007800300000000, 0.0014780500000000, -0.0003734600000000 ] - [ -0.0003473500000000, -0.0001979100000000, -0.0001267900000000 ] - [ 0.0001629300000000, -0.0002703000000000, 0.0003423000000000 ] - [ 0.0015206500000000, 0.0006789800000000, 0.0016329900000000 ] - [ 0.0008416600000000, 0.0008524700000000, 0.0002752800000000 ] - [ -0.0004771200000000, -0.0004145700000000, 0.0005204800000000 ] - [ -0.0010135800000000, 0.0003086600000000, 0.0006821800000000 ] - [ 0.0009138800000000, -0.0002430700000000, 0.0006727800000000 ] - [ -0.0024832900000000, -0.0009776900000000, 0.0047372200000000 ] - [ 0.0000045300000000, -0.0002100300000000, -0.0014590200000000 ] - [ 0.0017984700000000, 0.0021719000000000, -0.0006134700000000 ] - [ -0.0011310600000000, 0.0002683600000000, 0.0009668600000000 ] - [ 0.0026290600000000, -0.0002662800000000, 0.0017074000000000 ] - [ -0.0068130900000000, -0.0012718700000000, 0.0038538200000000 ] - [ -0.0002244200000000, -0.0001265600000000, -0.0008956300000000 ] - [ 0.0003958300000000, 0.0004968700000000, -0.0012249800000000 ] - [ 0.0017488200000000, -0.0001601000000000, -0.0009073600000000 ] - [ -0.0023037600000000, 0.0012730800000000, 0.0069113900000000 ] - [ -0.0006310600000000, -0.0003753500000000, 0.0017760900000000 ] - [ 0.0020358200000000, 0.0006809300000000, -0.0016894200000000 ] - [ 0.0047194300000000, -0.0001300600000000, -0.0053028400000000 ] - [ -0.0025995100000000, 0.0003571100000000, -0.0000155100000000 ] - [ -0.0041121100000000, -0.0018668500000000, 0.0053859700000000 ] - [ 0.0014246700000000, -0.0001627100000000, -0.0006758300000000 ] - [ -0.0006164500000000, -0.0001270300000000, -0.0005201300000000 ] - [ 0.0021149300000000, -0.0011151600000000, -0.0037664900000000 ] - [ 0.0007015900000000, -0.0001751000000000, 0.0005533300000000 ] - [ -0.0001126700000000, 0.0047512000000000, 0.0026627800000000 ] - [ -0.0018626300000000, -0.0007804700000000, 0.0018986100000000 ] - [ -0.0001731200000000, 0.0001236900000000, 0.0005768400000000 ] - [ 0.0008817800000000, -0.0050811300000000, -0.0038886100000000 ] - [ 0.0002320900000000, -0.0001504900000000, -0.0005710500000000 ] - [ -0.0055349900000000, 0.0037102800000000, 0.0034428100000000 ] - [ 0.0029002700000000, 0.0018906200000000, 0.0011760100000000 ] - [ 0.0009099300000000, 0.0001930800000000, -0.0018547300000000 ] - [ -0.0020907600000000, -0.0012386100000000, -0.0011616200000000 ] - [ -0.0034637300000000, -0.0020711700000000, -0.0009613900000000 ] - [ 0.0024648800000000, -0.0006955700000000, -0.0029102800000000 ] - [ 0.0019885700000000, 0.0002923900000000, -0.0008692700000000 ] - [ -0.0032359000000000, 0.0004383900000000, 0.0042760900000000 ]- atom: 9 displacement: [ 0.0052559485207597, 0.0000000000000000, -0.0085073500660972 ] forces: - [ 0.0000163900000000, -0.0004694100000000, -0.0044033800000000 ] - [ -0.0032831800000000, 0.0027304700000000, -0.0124750000000000 ] - [ 0.0009429900000000, 0.0016098800000000, 0.0031168700000000 ] - [ 0.0058259600000000, -0.0054717200000000, 0.0010855400000000 ] - [ 0.0082689200000000, -0.0039288900000000, -0.0034204400000000 ] - [ -0.0031302700000000, 0.0003892600000000, 0.0050387200000000 ] - [ -0.0040300300000000, 0.0042207700000000, -0.0009264100000000 ] - [ 0.0012940300000000, -0.0001640000000000, -0.0012929800000000 ] - [ -0.0321302600000000, 0.0046664500000000, 0.0568080100000000 ] - [ 0.0023716300000000, 0.0000100500000000, -0.0001884400000000 ] - [ 0.0026301200000000, 0.0001776300000000, -0.0044826800000000 ] - [ -0.0019120600000000, -0.0004581400000000, -0.0001081200000000 ] - [ -0.0019428500000000, 0.0003735800000000, 0.0003384400000000 ] - [ 0.0067573100000000, 0.0014442300000000, -0.0093062000000000 ] - [ 0.0014318400000000, 0.0003182100000000, -0.0000917000000000 ] - [ -0.0026882400000000, -0.0003939800000000, 0.0037061600000000 ] - [ -0.0043351900000000, -0.0012948100000000, -0.0035193200000000 ] - [ 0.0004329100000000, 0.0000394400000000, -0.0006231400000000 ] - [ 0.0008237800000000, 0.0000241900000000, -0.0002209700000000 ] - [ -0.0011725800000000, 0.0007576500000000, -0.0000801300000000 ] - [ 0.0016332500000000, -0.0002185600000000, 0.0016169400000000 ] - [ 0.0025564900000000, 0.0010628600000000, -0.0008120100000000 ] - [ 0.0002449300000000, -0.0002173300000000, -0.0001223400000000 ] - [ -0.0002847000000000, -0.0002527500000000, 0.0000600800000000 ] - [ -0.0001114000000000, -0.0001616600000000, -0.0005634900000000 ] - [ 0.0007414700000000, -0.0027125700000000, -0.0051781700000000 ] - [ -0.0003504500000000, 0.0000203800000000, 0.0003266100000000 ] - [ 0.0006112600000000, 0.0003566800000000, -0.0008863400000000 ] - [ 0.0051599100000000, -0.0001043200000000, -0.0040832300000000 ] - [ -0.0003658600000000, 0.0001298500000000, 0.0007130100000000 ] - [ -0.0020096900000000, -0.0052313000000000, -0.0006762700000000 ] - [ 0.0008013900000000, -0.0000927200000000, -0.0004261100000000 ] - [ -0.0004390300000000, -0.0000986100000000, -0.0002424800000000 ] - [ -0.0002774800000000, -0.0003350500000000, -0.0002008900000000 ] - [ 0.0000833400000000, -0.0004842200000000, 0.0000506900000000 ] - [ 0.0022112400000000, 0.0055756500000000, 0.0006341200000000 ] - [ 0.0027079400000000, 0.0034452400000000, -0.0012112400000000 ] - [ 0.0002334100000000, -0.0001005700000000, 0.0003280500000000 ] - [ 0.0011150100000000, -0.0031397300000000, -0.0038945300000000 ] - [ 0.0002478400000000, -0.0000040900000000, -0.0001662900000000 ] - [ 0.0012850400000000, -0.0007865900000000, -0.0002843800000000 ] - [ 0.0008606500000000, 0.0008992000000000, -0.0005277900000000 ] - [ 0.0003558900000000, -0.0004288700000000, -0.0009915200000000 ] - [ -0.0009975400000000, -0.0013740800000000, -0.0022678100000000 ] - [ -0.0013619500000000, -0.0015415700000000, 0.0003488300000000 ] - [ -0.0000407700000000, -0.0002841500000000, 0.0001270700000000 ] - [ 0.0005035700000000, 0.0003945300000000, -0.0000277000000000 ] - [ -0.0014239100000000, 0.0009445600000000, -0.0000011300000000 ] - [ 0.0019183700000000, 0.0009916400000000, -0.0043603600000000 ] - [ -0.0005543700000000, 0.0002965000000000, 0.0013232400000000 ] - [ -0.0023606200000000, -0.0022691400000000, 0.0004630900000000 ] - [ 0.0005504200000000, -0.0003433400000000, -0.0011055300000000 ] - [ -0.0020574200000000, 0.0001889700000000, -0.0015809700000000 ] - [ 0.0068878500000000, 0.0010910800000000, -0.0036101900000000 ] - [ 0.0007742200000000, 0.0002091200000000, 0.0010384900000000 ] - [ 0.0001741900000000, -0.0004184500000000, 0.0013592200000000 ] - [ -0.0013545400000000, -0.0001885700000000, 0.0011554700000000 ] - [ 0.0025707300000000, -0.0018206400000000, -0.0069413400000000 ] - [ 0.0010491000000000, 0.0007197300000000, -0.0015121200000000 ] - [ -0.0016331200000000, -0.0003259800000000, 0.0019489600000000 ] - [ -0.0051288100000000, 0.0004687600000000, 0.0050503200000000 ] - [ 0.0021971700000000, -0.0000142700000000, -0.0002461900000000 ] - [ 0.0036983900000000, 0.0015592000000000, -0.0055858500000000 ] - [ -0.0018261800000000, -0.0001887300000000, 0.0004325400000000 ] - [ 0.0004997300000000, -0.0003198600000000, 0.0009186100000000 ] - [ -0.0022082600000000, 0.0006852000000000, 0.0041653000000000 ] - [ -0.0008054700000000, 0.0006232300000000, -0.0001599000000000 ] - [ -0.0000325500000000, -0.0043009600000000, -0.0022293000000000 ] - [ 0.0023783200000000, 0.0014569500000000, -0.0027289200000000 ] - [ 0.0002776200000000, 0.0003212600000000, -0.0009728400000000 ] - [ -0.0007915800000000, 0.0045915000000000, 0.0034993800000000 ] - [ -0.0001153300000000, -0.0002991400000000, 0.0001748500000000 ] - [ 0.0053027500000000, -0.0030990000000000, -0.0023762900000000 ] - [ -0.0031682800000000, -0.0012369700000000, -0.0001564000000000 ] - [ -0.0011877500000000, -0.0008465200000000, 0.0028687300000000 ] - [ 0.0018202900000000, 0.0005728800000000, 0.0021599500000000 ] - [ 0.0037224600000000, 0.0013955600000000, -0.0000296700000000 ] - [ -0.0021925300000000, 0.0000316800000000, 0.0019021700000000 ] - [ -0.0017295600000000, 0.0003616900000000, -0.0001532400000000 ] - [ 0.0034636900000000, 0.0002655400000000, -0.0053077200000000 ]- atom: 17 displacement: [ 0.0099987479920404, 0.0000000000000000, -0.0001582358735165 ] forces: - [ -0.0047917700000000, -0.0016444100000000, -0.0020499600000000 ] - [ 0.0007695700000000, -0.0000076000000000, 0.0000078500000000 ] - [ 0.0007138000000000, 0.0011099100000000, -0.0034247200000000 ] - [ 0.0009307100000000, -0.0001976600000000, 0.0003062300000000 ] - [ -0.0001221500000000, -0.0000201900000000, -0.0003046700000000 ] - [ 0.0003460800000000, 0.0000072300000000, 0.0013816900000000 ] - [ -0.0026940300000000, 0.0034173900000000, 0.0005371500000000 ] - [ 0.0010036900000000, 0.0000116500000000, 0.0003292000000000 ] - [ -0.0007259200000000, -0.0001896400000000, 0.0045714200000000 ] - [ 0.0004118300000000, 0.0001027700000000, -0.0003553600000000 ] - [ 0.0006358300000000, -0.0002473100000000, -0.0006644300000000 ] - [ 0.0011370900000000, 0.0019018800000000, 0.0020229300000000 ] - [ 0.0047058700000000, -0.0036001300000000, 0.0010714400000000 ] - [ 0.0037785900000000, 0.0001411300000000, -0.0006687900000000 ] - [ 0.0001838200000000, 0.0001729100000000, -0.0000927800000000 ] - [ -0.0001163500000000, 0.0002903700000000, 0.0003464500000000 ] - [ -0.3173524100000000, -0.1146399400000000, 0.0097892600000000 ] - [ 0.0001702200000000, 0.0000122600000000, -0.0001040900000000 ] - [ -0.0001964800000000, 0.0001869700000000, -0.0003985900000000 ] - [ 0.0000493400000000, 0.0000565300000000, -0.0000143800000000 ] - [ -0.0002085500000000, -0.0003314200000000, -0.0003039900000000 ] - [ 0.0003995800000000, 0.0002985600000000, 0.0002452200000000 ] - [ -0.0002527700000000, 0.0000282000000000, -0.0001092600000000 ] - [ 0.0004508500000000, -0.0002775700000000, 0.0003137700000000 ] - [ -0.0006923800000000, -0.0000508200000000, 0.0000828200000000 ] - [ -0.0003350300000000, -0.0001230900000000, -0.0000359600000000 ] - [ -0.0001203100000000, 0.0000984700000000, -0.0002346100000000 ] - [ -0.0000847000000000, 0.0001489500000000, -0.0001033000000000 ] - [ 0.0004919400000000, 0.0001563900000000, -0.0000088000000000 ] - [ 0.0001163200000000, 0.0000913800000000, 0.0005321000000000 ] - [ -0.0005995000000000, -0.0008090600000000, 0.0008883100000000 ] - [ 0.0008128800000000, -0.0001036400000000, -0.0003483600000000 ] - [ -0.0005545100000000, 0.0000071100000000, -0.0002706900000000 ] - [ -0.0001913600000000, 0.0000187600000000, -0.0000494400000000 ] - [ -0.0002339100000000, -0.0001525700000000, -0.0001499700000000 ] - [ 0.0000357000000000, 0.0001318700000000, 0.0001821700000000 ] - [ 0.0002565800000000, -0.0000325800000000, -0.0000689200000000 ] - [ 0.0003079000000000, -0.0000062400000000, 0.0002068200000000 ] - [ 0.0047507400000000, -0.0038528800000000, 0.0000098100000000 ] - [ 0.0005796700000000, -0.0001920700000000, 0.0000571100000000 ] - [ -0.0001466800000000, 0.0003980100000000, -0.0006885400000000 ] - [ 0.0004520500000000, 0.0003264100000000, -0.0001794600000000 ] - [ 0.0000528800000000, -0.0002594400000000, -0.0008690700000000 ] - [ 0.0004562200000000, -0.0002576800000000, 0.0000880700000000 ] - [ -0.0023493600000000, 0.0042397300000000, -0.0021163000000000 ] - [ -0.0000655200000000, -0.0003536500000000, 0.0004406100000000 ] - [ -0.0004264500000000, 0.0002585500000000, 0.0000549200000000 ] - [ -0.0000042300000000, 0.0005102600000000, 0.0007354000000000 ] - [ 0.3179565600000000, 0.1229823400000000, -0.0060272600000000 ] - [ -0.0013101800000000, -0.0000197800000000, -0.0000026000000000 ] - [ -0.0000762000000000, -0.0001316600000000, 0.0005265800000000 ] - [ -0.0004385600000000, 0.0000351100000000, -0.0009324000000000 ] - [ -0.0000348900000000, 0.0005599700000000, 0.0012839000000000 ] - [ -0.0006263300000000, -0.0001092800000000, -0.0004628700000000 ] - [ 0.0016106200000000, -0.0003692600000000, -0.0000578100000000 ] - [ -0.0002818300000000, 0.0001088100000000, -0.0000531200000000 ] - [ 0.0006114900000000, -0.0001737700000000, 0.0004426800000000 ] - [ -0.0002102000000000, -0.0006503700000000, -0.0007348600000000 ] - [ 0.0009351800000000, -0.0001889300000000, 0.0007329700000000 ] - [ -0.0005349900000000, 0.0000765700000000, 0.0000498000000000 ] - [ -0.0002783100000000, 0.0002878000000000, 0.0005961100000000 ] - [ -0.0008797900000000, 0.0002850900000000, -0.0013920400000000 ] - [ 0.0026342600000000, -0.0004143800000000, 0.0009139600000000 ] - [ -0.0009759500000000, -0.0001643000000000, 0.0001010700000000 ] - [ 0.0008894800000000, 0.0000619800000000, -0.0003219200000000 ] - [ -0.0003068300000000, -0.0002923100000000, 0.0003116700000000 ] - [ -0.0003923800000000, 0.0002596800000000, 0.0004640700000000 ] - [ -0.0004919600000000, -0.0003313400000000, -0.0004930100000000 ] - [ 0.0002735900000000, 0.0004315400000000, -0.0002550300000000 ] - [ 0.0005511400000000, 0.0002824600000000, -0.0003444800000000 ] - [ -0.0015750200000000, 0.0024980100000000, -0.0007017000000000 ] - [ -0.0012583700000000, -0.0005124700000000, 0.0001824500000000 ] - [ 0.0012051000000000, 0.0001983400000000, 0.0005808800000000 ] - [ -0.0006268600000000, 0.0002425000000000, 0.0003169500000000 ] - [ -0.0002426100000000, -0.0012121200000000, 0.0016617200000000 ] - [ -0.0011873100000000, -0.0004780000000000, -0.0001893900000000 ] - [ -0.0056227400000000, -0.0107998400000000, -0.0051880600000000 ] - [ -0.0007190400000000, -0.0002504000000000, -0.0006047500000000 ] - [ -0.0000106500000000, 0.0004411900000000, 0.0002066700000000 ] - [ -0.0003218200000000, 0.0005727300000000, -0.0011965000000000 ]- atom: 17 displacement: [ -0.0099987479920404, 0.0000000000000000, 0.0001582358735165 ] forces: - [ 0.0046865900000000, 0.0016177500000000, 0.0011233300000000 ] - [ -0.0007897800000000, 0.0000606200000000, -0.0008607700000000 ] - [ -0.0007315400000000, -0.0011390600000000, 0.0024890300000000 ] - [ -0.0009610600000000, 0.0001364700000000, -0.0011537800000000 ] - [ 0.0001567800000000, -0.0000361600000000, 0.0011475900000000 ] - [ -0.0002996300000000, -0.0000627900000000, -0.0005012900000000 ] - [ 0.0026902800000000, -0.0031903600000000, 0.0003255500000000 ] - [ -0.0009378200000000, 0.0000465000000000, 0.0005275000000000 ] - [ 0.0004652000000000, 0.0004348700000000, -0.0044583300000000 ] - [ -0.0006681600000000, 0.0001767900000000, 0.0003647100000000 ] - [ -0.0008962600000000, -0.0000323000000000, 0.0006712500000000 ] - [ -0.0013672500000000, -0.0021263900000000, -0.0019568600000000 ] - [ -0.0043604000000000, 0.0032237900000000, -0.0010662100000000 ] - [ -0.0034326800000000, -0.0004253900000000, 0.0006211100000000 ] - [ 0.0000847800000000, 0.0001144600000000, 0.0000781700000000 ] - [ 0.0003804800000000, 0.0000028000000000, -0.0003561400000000 ] - [ 0.3399863200000000, 0.1269837600000000, -0.0103718600000000 ] - [ -0.0004588500000000, -0.0002997600000000, -0.0003159600000000 ] - [ -0.0001016700000000, 0.0001044300000000, -0.0000285500000000 ] - [ -0.0003421700000000, 0.0002320800000000, -0.0004037000000000 ] - [ 0.0004937700000000, 0.0006108100000000, 0.0007186900000000 ] - [ -0.0000942700000000, -0.0000030500000000, 0.0001782400000000 ] - [ 0.0005389500000000, -0.0003115100000000, 0.0005246500000000 ] - [ -0.0001446900000000, -0.0000160700000000, 0.0001108400000000 ] - [ 0.0000027700000000, -0.0002144300000000, -0.0001908100000000 ] - [ -0.0003463200000000, -0.0001427500000000, -0.0000745900000000 ] - [ -0.0005626000000000, 0.0001649900000000, 0.0001231500000000 ] - [ -0.0005976900000000, 0.0001196600000000, -0.0000049800000000 ] - [ 0.0001987600000000, 0.0001098500000000, 0.0001147000000000 ] - [ 0.0005659000000000, 0.0001723800000000, -0.0004137100000000 ] - [ 0.0012699300000000, 0.0005433800000000, -0.0007757000000000 ] - [ -0.0001144700000000, -0.0001611800000000, 0.0004466200000000 ] - [ -0.0000224200000000, -0.0001005200000000, 0.0001364900000000 ] - [ -0.0003775400000000, -0.0001153900000000, -0.0000768500000000 ] - [ -0.0003375500000000, 0.0002494600000000, 0.0000202800000000 ] - [ -0.0006017400000000, -0.0000265800000000, -0.0003022300000000 ] - [ 0.0003151900000000, 0.0001329500000000, 0.0001933200000000 ] - [ 0.0002643800000000, 0.0001081500000000, -0.0000761000000000 ] - [ -0.0042209800000000, 0.0037187400000000, 0.0001200800000000 ] - [ -0.0000001200000000, 0.0000854700000000, 0.0000705900000000 ] - [ 0.0006483300000000, 0.0003112100000000, 0.0000304900000000 ] - [ 0.0000681600000000, 0.0003741900000000, -0.0004680300000000 ] - [ 0.0004585500000000, -0.0004389200000000, 0.0002054000000000 ] - [ 0.0000635700000000, -0.0004410500000000, -0.0007303200000000 ] - [ 0.0017470600000000, -0.0048772600000000, 0.0027015200000000 ] - [ -0.0004450500000000, -0.0003465800000000, 0.0002154400000000 ] - [ -0.0000946400000000, 0.0004392100000000, 0.0005900700000000 ] - [ -0.0005057200000000, 0.0001931600000000, -0.0000749100000000 ] - [ -0.3412056100000000, -0.1351517900000000, 0.0062293200000000 ] - [ 0.0007277100000000, 0.0001028400000000, -0.0001384300000000 ] - [ -0.0004797300000000, 0.0000449000000000, -0.0006553300000000 ] - [ -0.0001234200000000, -0.0001190200000000, 0.0007702900000000 ] - [ 0.0005897900000000, -0.0006269300000000, -0.0011154600000000 ] - [ 0.0011614300000000, 0.0000264400000000, 0.0005825600000000 ] - [ -0.0010213000000000, 0.0004306100000000, 0.0001932200000000 ] - [ 0.0008263100000000, -0.0000257500000000, 0.0001932700000000 ] - [ -0.0001973600000000, -0.0001710500000000, -0.0001890200000000 ] - [ 0.0006062700000000, 0.0002939500000000, 0.0009674900000000 ] - [ -0.0005058400000000, 0.0005178100000000, -0.0004723900000000 ] - [ 0.0009260200000000, 0.0002589900000000, 0.0001905100000000 ] - [ -0.0001215700000000, 0.0000718000000000, -0.0008214800000000 ] - [ 0.0004561200000000, 0.0000704300000000, 0.0011180900000000 ] - [ -0.0029862200000000, 0.0000461300000000, -0.0011159800000000 ] - [ 0.0005516300000000, -0.0001848900000000, -0.0003431900000000 ] - [ -0.0009718200000000, -0.0005107300000000, 0.0007266200000000 ] - [ 0.0001819800000000, -0.0001640000000000, 0.0001013100000000 ] - [ 0.0002764500000000, 0.0001874300000000, -0.0000627000000000 ] - [ 0.0003740800000000, 0.0007604300000000, 0.0008713800000000 ] - [ -0.0001606100000000, 0.0000220700000000, -0.0001414600000000 ] - [ -0.0004376100000000, 0.0001674800000000, -0.0000614100000000 ] - [ 0.0016998200000000, -0.0029148600000000, 0.0002994200000000 ] - [ 0.0013341200000000, 0.0000583500000000, -0.0005694100000000 ] - [ -0.0014398000000000, 0.0004427800000000, 0.0004166500000000 ] - [ 0.0003489100000000, 0.0004112000000000, 0.0006925700000000 ] - [ -0.0000219800000000, 0.0005262900000000, -0.0006191700000000 ] - [ 0.0008964100000000, -0.0001858600000000, 0.0011891700000000 ] - [ 0.0056283600000000, 0.0097411200000000, 0.0040312400000000 ] - [ 0.0009614900000000, -0.0003946300000000, -0.0004153400000000 ] - [ 0.0002755500000000, 0.0002181100000000, -0.0012072500000000 ] - [ 0.0005777200000000, 0.0000899000000000, 0.0001677500000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0019521000000000, -0.0025898200000000, 0.0035306900000000 ] - [ 0.0004193400000000, -0.0000907900000000, -0.0002798400000000 ] - [ 0.0009286100000000, 0.0008213200000000, -0.0023487700000000 ] - [ 0.0001258700000000, -0.0002565100000000, -0.0002237300000000 ] - [ -0.0002524700000000, -0.0000545500000000, 0.0003370900000000 ] - [ -0.0000408300000000, -0.0000489200000000, 0.0007199300000000 ] - [ 0.0011281700000000, 0.0070437300000000, 0.0005991100000000 ] - [ 0.0004952300000000, 0.0001656300000000, 0.0003851600000000 ] - [ -0.0001439400000000, -0.0020845200000000, 0.0013880200000000 ] - [ 0.0000726600000000, -0.0000230000000000, -0.0000869300000000 ] - [ -0.0000652400000000, -0.0001025200000000, -0.0000920900000000 ] - [ 0.0007234300000000, 0.0016400900000000, 0.0012693600000000 ] - [ -0.0006704500000000, -0.0027860500000000, -0.0000851800000000 ] - [ 0.0007115200000000, 0.0005953200000000, -0.0007348700000000 ] - [ 0.0001956900000000, 0.0003511200000000, -0.0000518600000000 ] - [ 0.0001431800000000, 0.0006809500000000, -0.0001295400000000 ] - [ -0.1195930900000000, -0.0745017500000000, 0.0022310000000000 ] - [ 0.0000100400000000, -0.0001271900000000, -0.0001794400000000 ] - [ -0.0001909400000000, 0.0001707000000000, -0.0003255400000000 ] - [ -0.0000585100000000, 0.0001038100000000, -0.0001243500000000 ] - [ -0.0003239100000000, -0.0002264300000000, 0.0001713500000000 ] - [ 0.0003006700000000, 0.0002367700000000, 0.0001844900000000 ] - [ -0.0000259600000000, 0.0000119700000000, 0.0000628900000000 ] - [ 0.0002817300000000, -0.0001780000000000, 0.0002476200000000 ] - [ -0.0001305100000000, -0.0001775200000000, -0.0002506900000000 ] - [ -0.0001891700000000, -0.0001378000000000, -0.0001050800000000 ] - [ -0.0004100600000000, 0.0000304900000000, -0.0000388200000000 ] - [ -0.0003589000000000, 0.0001605000000000, -0.0000461800000000 ] - [ 0.0004501100000000, 0.0001425000000000, 0.0000352300000000 ] - [ 0.0002831700000000, 0.0000762900000000, 0.0002922500000000 ] - [ -0.0007896600000000, 0.0005462500000000, -0.0000303000000000 ] - [ 0.0006376400000000, -0.0001185200000000, -0.0001953900000000 ] - [ -0.0003105400000000, 0.0004832500000000, -0.0002970000000000 ] - [ -0.0002288500000000, 0.0000734600000000, -0.0000385000000000 ] - [ -0.0003296800000000, -0.0000246300000000, -0.0000939600000000 ] - [ -0.0002823100000000, 0.0001897900000000, -0.0000647700000000 ] - [ 0.0002922600000000, 0.0000140600000000, -0.0000566200000000 ] - [ 0.0002777600000000, 0.0000697300000000, 0.0001263200000000 ] - [ -0.0037048800000000, -0.0024564100000000, 0.0002660300000000 ] - [ 0.0004929200000000, -0.0002201000000000, 0.0000556800000000 ] - [ -0.0002103400000000, 0.0008480400000000, -0.0003186500000000 ] - [ 0.0003361800000000, 0.0003760400000000, -0.0002589800000000 ] - [ 0.0002335600000000, -0.0002751900000000, -0.0005652500000000 ] - [ 0.0003313500000000, -0.0003173800000000, -0.0001403400000000 ] - [ 0.0033112100000000, 0.0081789000000000, -0.0032286200000000 ] - [ -0.0001643100000000, -0.0003869700000000, 0.0004062400000000 ] - [ -0.0004137900000000, 0.0002776600000000, 0.0001921600000000 ] - [ -0.0001447700000000, 0.0004088700000000, 0.0005255900000000 ] - [ 0.1280591200000000, 0.0673649700000000, -0.0015380000000000 ] - [ -0.0006580400000000, 0.0001347400000000, -0.0000436400000000 ] - [ -0.0001552900000000, -0.0002368400000000, 0.0002251000000000 ] - [ -0.0003122000000000, -0.0001140300000000, -0.0004545400000000 ] - [ 0.0003753700000000, 0.0005119000000000, 0.0005356400000000 ] - [ -0.0002984400000000, -0.0001542000000000, -0.0003870000000000 ] - [ 0.0007795500000000, -0.0007491000000000, -0.0001431700000000 ] - [ 0.0000439600000000, -0.0000001800000000, 0.0000621000000000 ] - [ 0.0001804900000000, 0.0000391800000000, 0.0003263900000000 ] - [ -0.0000493900000000, -0.0003753800000000, -0.0001099900000000 ] - [ 0.0010344100000000, -0.0008363500000000, 0.0003756400000000 ] - [ 0.0000208300000000, -0.0001927300000000, -0.0000234700000000 ] - [ -0.0000221300000000, 0.0004573800000000, 0.0003150200000000 ] - [ -0.0006212100000000, 0.0004147300000000, -0.0007212200000000 ] - [ 0.0011272200000000, -0.0018967700000000, 0.0017844700000000 ] - [ -0.0005811500000000, -0.0001675600000000, 0.0000016100000000 ] - [ 0.0008791000000000, -0.0005698400000000, 0.0014486700000000 ] - [ -0.0004350300000000, -0.0004133800000000, 0.0006466500000000 ] - [ -0.0000672700000000, 0.0001240300000000, 0.0002269500000000 ] - [ -0.0001777500000000, 0.0000068700000000, 0.0000541300000000 ] - [ 0.0001263300000000, 0.0004567200000000, -0.0001444700000000 ] - [ 0.0001061600000000, 0.0003051700000000, -0.0004304700000000 ] - [ 0.0012599500000000, 0.0018834600000000, -0.0004452100000000 ] - [ -0.0009140000000000, -0.0004492700000000, 0.0000160700000000 ] - [ 0.0006078200000000, -0.0005696700000000, -0.0010373900000000 ] - [ -0.0004011400000000, 0.0002192900000000, 0.0004242300000000 ] - [ -0.0000743100000000, -0.0006918200000000, 0.0007828000000000 ] - [ -0.0006112800000000, -0.0005454500000000, 0.0001872600000000 ] - [ -0.0102055600000000, -0.0012804900000000, -0.0030565100000000 ] - [ -0.0002543300000000, -0.0000903900000000, -0.0005401100000000 ] - [ 0.0001125800000000, 0.0003777200000000, -0.0001995700000000 ] - [ -0.0000714000000000, 0.0005246100000000, -0.0007728400000000 ]- atom: 17 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0018895900000000, 0.0025972900000000, -0.0044229200000000 ] - [ -0.0004508800000000, 0.0001442100000000, -0.0005766800000000 ] - [ -0.0009608500000000, -0.0008743000000000, 0.0014652200000000 ] - [ -0.0001670100000000, 0.0001968700000000, -0.0006339900000000 ] - [ 0.0002912200000000, 0.0000020700000000, 0.0005120600000000 ] - [ 0.0000861800000000, -0.0000048400000000, 0.0001486800000000 ] - [ -0.0011396800000000, -0.0070301500000000, 0.0002512100000000 ] - [ -0.0004440200000000, -0.0001077200000000, 0.0004735600000000 ] - [ -0.0001174600000000, 0.0023653800000000, -0.0013068000000000 ] - [ -0.0003349400000000, 0.0003060100000000, 0.0000983400000000 ] - [ -0.0002050300000000, -0.0001803200000000, 0.0001064000000000 ] - [ -0.0009783800000000, -0.0019073500000000, -0.0012349700000000 ] - [ 0.0009566200000000, 0.0024872800000000, 0.0000736200000000 ] - [ -0.0004301400000000, -0.0008844600000000, 0.0007081600000000 ] - [ 0.0000719300000000, -0.0000690100000000, 0.0000386500000000 ] - [ 0.0001198200000000, -0.0003952800000000, 0.0001100000000000 ] - [ 0.1216143900000000, 0.0722234900000000, -0.0026008500000000 ] - [ -0.0003033100000000, -0.0001620300000000, -0.0002418300000000 ] - [ -0.0001051400000000, 0.0001187000000000, -0.0000981900000000 ] - [ -0.0002372100000000, 0.0001857100000000, -0.0002970100000000 ] - [ 0.0006200000000000, 0.0005182700000000, 0.0002504500000000 ] - [ 0.0000003700000000, 0.0000572600000000, 0.0002389200000000 ] - [ 0.0003188700000000, -0.0003002900000000, 0.0003601000000000 ] - [ 0.0000194000000000, -0.0001135200000000, 0.0001755800000000 ] - [ -0.0005605500000000, -0.0000864300000000, 0.0001453700000000 ] - [ -0.0004951400000000, -0.0001281900000000, -0.0000047300000000 ] - [ -0.0002720800000000, 0.0002367900000000, -0.0000734900000000 ] - [ -0.0003276800000000, 0.0001076900000000, -0.0000606200000000 ] - [ 0.0002378800000000, 0.0001235400000000, 0.0000708800000000 ] - [ 0.0004002300000000, 0.0001890500000000, -0.0001796500000000 ] - [ 0.0014679300000000, -0.0008122400000000, 0.0001327900000000 ] - [ 0.0000536800000000, -0.0001468400000000, 0.0002996500000000 ] - [ -0.0002617600000000, -0.0005867200000000, 0.0001716600000000 ] - [ -0.0003416500000000, -0.0001713900000000, -0.0000880600000000 ] - [ -0.0002413200000000, 0.0001248900000000, -0.0000348000000000 ] - [ -0.0002862900000000, -0.0000839500000000, -0.0000568700000000 ] - [ 0.0002798600000000, 0.0000856300000000, 0.0001826700000000 ] - [ 0.0002942700000000, 0.0000305100000000, 0.0000025600000000 ] - [ 0.0042713700000000, 0.0023942400000000, -0.0001409200000000 ] - [ 0.0000822200000000, 0.0001167300000000, 0.0000720300000000 ] - [ 0.0007261800000000, -0.0001473900000000, -0.0003397800000000 ] - [ 0.0001810800000000, 0.0003247400000000, -0.0003907500000000 ] - [ 0.0002812200000000, -0.0004229300000000, -0.0000874800000000 ] - [ 0.0001864700000000, -0.0003816100000000, -0.0005074200000000 ] - [ -0.0037436200000000, -0.0087343900000000, 0.0037902400000000 ] - [ -0.0003487800000000, -0.0003126600000000, 0.0002473600000000 ] - [ -0.0001029000000000, 0.0004213300000000, 0.0004560100000000 ] - [ -0.0003688100000000, 0.0002922300000000, 0.0001290800000000 ] - [ -0.1308613400000000, -0.0654235100000000, 0.0014181500000000 ] - [ 0.0000886100000000, -0.0000508600000000, -0.0000985200000000 ] - [ -0.0004054200000000, 0.0001546300000000, -0.0003617300000000 ] - [ -0.0002488800000000, 0.0000311400000000, 0.0003065800000000 ] - [ 0.0001818300000000, -0.0005940800000000, -0.0003861800000000 ] - [ 0.0008441300000000, 0.0000701400000000, 0.0005166500000000 ] - [ -0.0002128600000000, 0.0008347100000000, 0.0002753600000000 ] - [ 0.0005095300000000, 0.0000837100000000, 0.0000801100000000 ] - [ 0.0002315300000000, -0.0003911600000000, -0.0000804000000000 ] - [ 0.0004524600000000, 0.0000188000000000, 0.0003474200000000 ] - [ -0.0006333100000000, 0.0011874200000000, -0.0001247500000000 ] - [ 0.0003827000000000, 0.0005335000000000, 0.0002647500000000 ] - [ -0.0003861900000000, -0.0001021000000000, -0.0005492700000000 ] - [ 0.0002078000000000, -0.0000635500000000, 0.0004652300000000 ] - [ -0.0015228100000000, 0.0015546300000000, -0.0019995800000000 ] - [ 0.0001661200000000, -0.0001814600000000, -0.0002453700000000 ] - [ -0.0009879300000000, 0.0001200200000000, -0.0010689200000000 ] - [ 0.0003194900000000, -0.0000417200000000, -0.0002399400000000 ] - [ -0.0000472500000000, 0.0003227000000000, 0.0001728200000000 ] - [ 0.0000739800000000, 0.0004274000000000, 0.0003376500000000 ] - [ -0.0000152500000000, -0.0000051500000000, -0.0002514700000000 ] - [ 0.0000086600000000, 0.0001427300000000, 0.0000344000000000 ] - [ -0.0011343700000000, -0.0023575000000000, 0.0000526600000000 ] - [ 0.0010085700000000, -0.0000010000000000, -0.0004087200000000 ] - [ -0.0008691700000000, 0.0012176800000000, 0.0020694900000000 ] - [ 0.0001300300000000, 0.0004354700000000, 0.0005878600000000 ] - [ -0.0001841100000000, 0.0000192500000000, 0.0002350600000000 ] - [ 0.0003361100000000, -0.0001139800000000, 0.0008216300000000 ] - [ 0.0103469800000000, 0.0007018000000000, 0.0020263600000000 ] - [ 0.0005097200000000, -0.0005569900000000, -0.0004780500000000 ] - [ 0.0001505400000000, 0.0002834100000000, -0.0008063800000000 ] - [ 0.0003339300000000, 0.0001380200000000, -0.0002463000000000 ]- atom: 17 displacement: [ -0.0052559485207597, 0.0000000000000000, 0.0085073500660972 ] forces: - [ 0.0004491400000000, 0.0043809200000000, 0.0105162300000000 ] - [ -0.0002125600000000, -0.0000016800000000, -0.0004692500000000 ] - [ -0.0009559500000000, -0.0007043500000000, 0.0007543400000000 ] - [ -0.0002673400000000, 0.0000560000000000, -0.0006608100000000 ] - [ -0.0003996700000000, -0.0001247300000000, 0.0010442700000000 ] - [ 0.0003715300000000, -0.0000534600000000, 0.0001973900000000 ] - [ 0.0014471000000000, -0.0014305600000000, -0.0005928900000000 ] - [ -0.0003251500000000, 0.0000749100000000, 0.0005666400000000 ] - [ 0.0035509000000000, 0.0006170200000000, 0.0030087600000000 ] - [ -0.0005337000000000, 0.0000860800000000, 0.0005348700000000 ] - [ -0.0006229300000000, 0.0000091000000000, 0.0003123200000000 ] - [ -0.0003277400000000, -0.0009570800000000, -0.0008852100000000 ] - [ -0.0012825200000000, 0.0012638900000000, -0.0013542800000000 ] - [ -0.0023880900000000, -0.0006989800000000, 0.0009681200000000 ] - [ 0.0000685000000000, 0.0001691600000000, 0.0003465900000000 ] - [ 0.0005099800000000, 0.0001441500000000, 0.0001129000000000 ] - [ 0.1825556200000000, 0.0664988200000000, -0.0311024500000000 ] - [ -0.0002228200000000, -0.0002008500000000, -0.0002192500000000 ] - [ -0.0002813100000000, 0.0002198700000000, -0.0001802500000000 ] - [ -0.0000863200000000, 0.0001182700000000, -0.0002941800000000 ] - [ -0.0000963400000000, 0.0003584200000000, 0.0005760800000000 ] - [ 0.0000511100000000, 0.0000432900000000, 0.0003865800000000 ] - [ 0.0000872900000000, -0.0001085200000000, 0.0003283500000000 ] - [ 0.0000791800000000, -0.0001070800000000, 0.0001998900000000 ] - [ -0.0004051400000000, -0.0002454600000000, 0.0001559400000000 ] - [ -0.0003895600000000, -0.0001737600000000, -0.0000236600000000 ] - [ -0.0004968600000000, 0.0001670000000000, 0.0000196000000000 ] - [ -0.0005196800000000, 0.0001000500000000, 0.0000192900000000 ] - [ 0.0001418100000000, 0.0001579700000000, 0.0002610700000000 ] - [ 0.0006267000000000, 0.0001812100000000, -0.0002383700000000 ] - [ 0.0012770100000000, -0.0002523700000000, -0.0005785300000000 ] - [ 0.0001430900000000, -0.0001446100000000, 0.0002268600000000 ] - [ -0.0002627900000000, -0.0002642500000000, 0.0000181200000000 ] - [ -0.0003098200000000, -0.0000480100000000, -0.0000629000000000 ] - [ -0.0003929200000000, 0.0002275700000000, -0.0000347400000000 ] - [ -0.0005300000000000, -0.0000630900000000, -0.0003510700000000 ] - [ 0.0002416900000000, 0.0000581000000000, 0.0001478600000000 ] - [ 0.0003182100000000, 0.0001849600000000, -0.0000225900000000 ] - [ -0.0019877200000000, 0.0016686000000000, -0.0006624100000000 ] - [ 0.0001895400000000, -0.0000105800000000, 0.0000727000000000 ] - [ 0.0001547700000000, 0.0006251600000000, -0.0003484900000000 ] - [ 0.0002005500000000, 0.0003380400000000, -0.0003226900000000 ] - [ 0.0001464900000000, -0.0004314100000000, -0.0002452300000000 ] - [ 0.0002758800000000, -0.0003386000000000, -0.0004012600000000 ] - [ -0.0001555700000000, -0.0048910500000000, -0.0002613000000000 ] - [ -0.0003010300000000, -0.0003441100000000, 0.0003636100000000 ] - [ -0.0003796700000000, 0.0003739100000000, 0.0004580500000000 ] - [ -0.0002708500000000, 0.0003247400000000, 0.0002316300000000 ] - [ -0.1814062200000000, -0.0704969300000000, 0.0122487500000000 ] - [ 0.0000427000000000, 0.0000661500000000, -0.0001670000000000 ] - [ -0.0001110100000000, -0.0001217600000000, -0.0003812000000000 ] - [ -0.0004379300000000, -0.0000627800000000, 0.0002597900000000 ] - [ 0.0009218600000000, -0.0002706200000000, -0.0004906000000000 ] - [ 0.0007753900000000, -0.0000938300000000, 0.0003725600000000 ] - [ -0.0002354700000000, -0.0000845900000000, 0.0002201000000000 ] - [ 0.0004773600000000, 0.0000007800000000, 0.0000077200000000 ] - [ 0.0004915300000000, 0.0001727100000000, -0.0004102400000000 ] - [ 0.0000866400000000, -0.0001884600000000, 0.0000838000000000 ] - [ 0.0000423100000000, 0.0001576000000000, 0.0002764100000000 ] - [ 0.0005222800000000, 0.0000806400000000, -0.0000127500000000 ] - [ 0.0005299800000000, 0.0002559000000000, -0.0004755600000000 ] - [ -0.0002224600000000, 0.0000636500000000, 0.0004454200000000 ] - [ -0.0014009000000000, 0.0011866400000000, -0.0005155300000000 ] - [ 0.0000726400000000, -0.0001732000000000, -0.0003606000000000 ] - [ -0.0011353900000000, 0.0003616900000000, -0.0004164200000000 ] - [ 0.0000725500000000, -0.0001984400000000, 0.0002077800000000 ] - [ 0.0002401700000000, 0.0001288400000000, 0.0000301300000000 ] - [ 0.0001215900000000, 0.0007958600000000, 0.0008186000000000 ] - [ 0.0001439200000000, 0.0001933400000000, -0.0004916900000000 ] - [ -0.0006733200000000, 0.0001268500000000, -0.0005186300000000 ] - [ 0.0007866400000000, -0.0014937800000000, 0.0005126200000000 ] - [ 0.0005134100000000, -0.0001388400000000, -0.0003134500000000 ] - [ -0.0002866100000000, -0.0005714800000000, -0.0004618800000000 ] - [ 0.0000519200000000, 0.0003896400000000, 0.0004381100000000 ] - [ 0.0000794200000000, -0.0004424400000000, 0.0004787800000000 ] - [ 0.0001092300000000, -0.0002478100000000, 0.0007480700000000 ] - [ 0.0004191400000000, 0.0034268800000000, 0.0075628500000000 ] - [ 0.0003663800000000, -0.0001689400000000, -0.0005782000000000 ] - [ 0.0006281000000000, 0.0000886300000000, -0.0012297400000000 ] - [ -0.0000679000000000, 0.0004054700000000, -0.0004042400000000 ]- atom: 17 displacement: [ 0.0052559485207597, 0.0000000000000000, -0.0085073500660972 ] forces: - [ -0.0004657700000000, -0.0042494900000000, -0.0111809100000000 ] - [ 0.0001740500000000, 0.0000561200000000, -0.0003913100000000 ] - [ 0.0009133500000000, 0.0006539800000000, -0.0016130600000000 ] - [ 0.0002313900000000, -0.0001130400000000, -0.0001920500000000 ] - [ 0.0004343700000000, 0.0000665700000000, -0.0001857900000000 ] - [ -0.0003249600000000, -0.0000037600000000, 0.0006645400000000 ] - [ -0.0014019200000000, 0.0015341700000000, 0.0014461500000000 ] - [ 0.0003694800000000, -0.0000179000000000, 0.0002933800000000 ] - [ -0.0038433300000000, -0.0003305200000000, -0.0029912400000000 ] - [ 0.0002674700000000, 0.0001953000000000, -0.0005126800000000 ] - [ 0.0003520500000000, -0.0002897600000000, -0.0003042300000000 ] - [ 0.0000695700000000, 0.0006810400000000, 0.0008970500000000 ] - [ 0.0015321600000000, -0.0015548800000000, 0.0013385900000000 ] - [ 0.0026217700000000, 0.0004043500000000, -0.0009959000000000 ] - [ 0.0002011300000000, 0.0001164500000000, -0.0003551900000000 ] - [ -0.0002435600000000, 0.0001394500000000, -0.0001248300000000 ] - [ -0.1788276900000000, -0.0644167400000000, 0.0337081900000000 ] - [ -0.0000723400000000, -0.0000894700000000, -0.0002028300000000 ] - [ -0.0000172300000000, 0.0000717200000000, -0.0002427100000000 ] - [ -0.0002093100000000, 0.0001715300000000, -0.0001277900000000 ] - [ 0.0003932300000000, -0.0000701600000000, -0.0001542100000000 ] - [ 0.0002483200000000, 0.0002477500000000, 0.0000370400000000 ] - [ 0.0002068700000000, -0.0001803600000000, 0.0000923300000000 ] - [ 0.0002200700000000, -0.0001839000000000, 0.0002228800000000 ] - [ -0.0002781700000000, -0.0000228200000000, -0.0002633600000000 ] - [ -0.0002959700000000, -0.0000924100000000, -0.0000852100000000 ] - [ -0.0001913600000000, 0.0000976000000000, -0.0001253400000000 ] - [ -0.0001660400000000, 0.0001660800000000, -0.0001263800000000 ] - [ 0.0005416000000000, 0.0001070200000000, -0.0001506500000000 ] - [ 0.0000633600000000, 0.0000838400000000, 0.0003446700000000 ] - [ -0.0005870200000000, -0.0000229300000000, 0.0006915200000000 ] - [ 0.0005438400000000, -0.0001208200000000, -0.0001187500000000 ] - [ -0.0003087800000000, 0.0001651700000000, -0.0001471300000000 ] - [ -0.0002613800000000, -0.0000517100000000, -0.0000642700000000 ] - [ -0.0001789000000000, -0.0001278500000000, -0.0000925100000000 ] - [ -0.0000423100000000, 0.0001642200000000, 0.0002240100000000 ] - [ 0.0003296400000000, 0.0000439800000000, -0.0000195100000000 ] - [ 0.0002547600000000, -0.0000800500000000, 0.0001503200000000 ] - [ 0.0025683500000000, -0.0017773000000000, 0.0007529700000000 ] - [ 0.0003829200000000, -0.0000915600000000, 0.0000553300000000 ] - [ 0.0003580900000000, 0.0000771000000000, -0.0003004800000000 ] - [ 0.0003160100000000, 0.0003623000000000, -0.0003272200000000 ] - [ 0.0003676300000000, -0.0002715800000000, -0.0004043800000000 ] - [ 0.0002406600000000, -0.0003617500000000, -0.0002484700000000 ] - [ -0.0004073000000000, 0.0041862000000000, 0.0009425400000000 ] - [ -0.0002131600000000, -0.0003560500000000, 0.0002898000000000 ] - [ -0.0001388500000000, 0.0003266800000000, 0.0001942000000000 ] - [ -0.0002431600000000, 0.0003760100000000, 0.0004207500000000 ] - [ 0.1768542000000000, 0.0681175100000000, -0.0155057900000000 ] - [ -0.0006036500000000, 0.0000173000000000, 0.0000232000000000 ] - [ -0.0004468300000000, 0.0000385800000000, 0.0002395800000000 ] - [ -0.0001248400000000, -0.0000219500000000, -0.0004040800000000 ] - [ -0.0003636400000000, 0.0001895700000000, 0.0006330400000000 ] - [ -0.0002203600000000, 0.0000101200000000, -0.0002355300000000 ] - [ 0.0007961800000000, 0.0001528500000000, -0.0000745700000000 ] - [ 0.0000791500000000, 0.0000821700000000, 0.0001342600000000 ] - [ -0.0000838100000000, -0.0005131900000000, 0.0006503000000000 ] - [ 0.0003173400000000, -0.0001638200000000, 0.0001570200000000 ] - [ 0.0003731800000000, 0.0001871900000000, -0.0000326500000000 ] - [ -0.0001184400000000, 0.0002653100000000, 0.0002558500000000 ] - [ -0.0009173700000000, 0.0000954300000000, 0.0002301700000000 ] - [ -0.0001899900000000, 0.0002872800000000, -0.0006905100000000 ] - [ 0.0010023800000000, -0.0015309500000000, 0.0002616600000000 ] - [ -0.0004823400000000, -0.0001767400000000, 0.0001117200000000 ] - [ 0.0010175700000000, -0.0008057900000000, 0.0008198900000000 ] - [ -0.0001850300000000, -0.0002532200000000, 0.0001973400000000 ] - [ -0.0003484300000000, 0.0003197400000000, 0.0003627900000000 ] - [ -0.0002315300000000, -0.0003487300000000, -0.0004263200000000 ] - [ -0.0000303100000000, 0.0002544300000000, 0.0000922800000000 ] - [ 0.0007679200000000, 0.0003207200000000, 0.0001106600000000 ] - [ -0.0006836700000000, 0.0010569900000000, -0.0008955800000000 ] - [ -0.0004044600000000, -0.0003083900000000, -0.0000825100000000 ] - [ 0.0000286600000000, 0.0012299700000000, 0.0014709000000000 ] - [ -0.0003205600000000, 0.0002671900000000, 0.0005737300000000 ] - [ -0.0003392500000000, -0.0002156800000000, 0.0005442000000000 ] - [ -0.0003786100000000, -0.0004120500000000, 0.0002661200000000 ] - [ -0.0001160800000000, -0.0040944300000000, -0.0086580900000000 ] - [ -0.0001065700000000, -0.0004823400000000, -0.0004386500000000 ] - [ -0.0003552400000000, 0.0005635100000000, 0.0002050900000000 ] - [ 0.0003307900000000, 0.0002536000000000, -0.0006134100000000 ]- atom: 25 displacement: [ 0.0099987479920404, 0.0000000000000000, -0.0001582358735165 ] forces: - [ -0.0057117400000000, -0.0026395000000000, 0.0029546700000000 ] - [ 0.0010879400000000, 0.0001824400000000, -0.0006011400000000 ] - [ 0.0005986000000000, -0.0001766500000000, -0.0016019500000000 ] - [ -0.0004074100000000, 0.0000341800000000, 0.0002087300000000 ] - [ 0.0056897900000000, 0.0000962900000000, -0.0002271000000000 ] - [ 0.0054417800000000, 0.0003846100000000, 0.0048869100000000 ] - [ -0.0021080400000000, -0.0005522600000000, -0.0001826600000000 ] - [ 0.0004327000000000, -0.0001291100000000, -0.0004038400000000 ] - [ 0.0003536000000000, 0.0002023400000000, 0.0000203100000000 ] - [ -0.0022974500000000, -0.0017249500000000, -0.0027655600000000 ] - [ 0.0006529600000000, 0.0003680100000000, 0.0005110700000000 ] - [ 0.0006797400000000, -0.0023716400000000, -0.0006347500000000 ] - [ 0.0032588900000000, 0.0018012800000000, -0.0038741400000000 ] - [ 0.0005047500000000, -0.0005659500000000, 0.0010800400000000 ] - [ -0.0040652400000000, 0.0019914300000000, 0.0001876700000000 ] - [ 0.0009391600000000, 0.0000536600000000, -0.0000659600000000 ] - [ -0.0005059400000000, 0.0000753900000000, -0.0005120700000000 ] - [ -0.0001449400000000, 0.0000094700000000, -0.0002643900000000 ] - [ 0.0000772800000000, 0.0002145200000000, -0.0002533200000000 ] - [ 0.0001096900000000, 0.0001609600000000, -0.0002627100000000 ] - [ 0.0002962600000000, 0.0002526700000000, 0.0000598100000000 ] - [ -0.0000846700000000, 0.0000811000000000, 0.0004071500000000 ] - [ -0.0007948500000000, 0.0009842400000000, 0.0007420600000000 ] - [ 0.0006246800000000, -0.0004439700000000, 0.0002636700000000 ] - [ -0.2141037700000000, 0.0229777900000000, 0.1212437000000000 ] - [ 0.0001117500000000, -0.0001596300000000, -0.0004312900000000 ] - [ 0.0007058000000000, 0.0003012300000000, -0.0007399500000000 ] - [ -0.0005419900000000, 0.0001382100000000, 0.0001895500000000 ] - [ 0.0006926900000000, 0.0001513800000000, -0.0001402400000000 ] - [ 0.0002306600000000, 0.0006268500000000, 0.0004638800000000 ] - [ 0.0001973700000000, -0.0001474600000000, 0.0001250000000000 ] - [ 0.0007588000000000, -0.0002281100000000, -0.0003498100000000 ] - [ -0.0020537400000000, -0.0057573200000000, -0.0035231400000000 ] - [ -0.0001112700000000, 0.0000656700000000, -0.0001175300000000 ] - [ 0.0001917300000000, -0.0000519900000000, -0.0008695900000000 ] - [ -0.0002476900000000, 0.0000554900000000, 0.0001148300000000 ] - [ 0.0003935500000000, 0.0001945100000000, 0.0000112000000000 ] - [ 0.0003147200000000, -0.0000981800000000, -0.0000436200000000 ] - [ 0.0002050300000000, 0.0000846200000000, 0.0001218500000000 ] - [ 0.0004681300000000, -0.0000278500000000, -0.0000663500000000 ] - [ 0.0001038900000000, 0.0005409700000000, -0.0007853700000000 ] - [ 0.0003993900000000, 0.0002610500000000, -0.0002928800000000 ] - [ 0.0065598900000000, 0.0033211600000000, 0.0050416600000000 ] - [ 0.0005378000000000, -0.0002519100000000, -0.0001801300000000 ] - [ -0.0004046000000000, -0.0003812200000000, 0.0001568800000000 ] - [ -0.0003679800000000, -0.0002759300000000, 0.0001560400000000 ] - [ -0.0000344700000000, 0.0000309700000000, 0.0004616700000000 ] - [ -0.0000219100000000, 0.0005061700000000, 0.0006340200000000 ] - [ 0.0006675600000000, -0.0002290300000000, -0.0001644600000000 ] - [ -0.0013108200000000, -0.0002905500000000, 0.0008705200000000 ] - [ -0.0009986700000000, -0.0004024900000000, 0.0002230100000000 ] - [ -0.0000575800000000, 0.0005514700000000, -0.0008844200000000 ] - [ -0.0005031300000000, 0.0001952600000000, 0.0018703600000000 ] - [ 0.0003530900000000, -0.0002501300000000, -0.0008560900000000 ] - [ 0.0033590300000000, 0.0027344000000000, -0.0009733700000000 ] - [ -0.0005496800000000, 0.0001635400000000, 0.0001653400000000 ] - [ 0.2164863400000000, -0.0197315000000000, -0.1371773200000000 ] - [ -0.0011443500000000, -0.0002231800000000, 0.0002773000000000 ] - [ -0.0006657700000000, 0.0008008400000000, 0.0022966100000000 ] - [ 0.0001335900000000, 0.0001545400000000, -0.0003280600000000 ] - [ -0.0008124000000000, 0.0007806400000000, -0.0006247400000000 ] - [ -0.0010267000000000, -0.0006441500000000, -0.0005794600000000 ] - [ -0.0001713400000000, -0.0001828400000000, 0.0001246200000000 ] - [ 0.0001360500000000, 0.0004032000000000, 0.0007955000000000 ] - [ -0.0073596900000000, 0.0000078200000000, 0.0158928100000000 ] - [ -0.0010683100000000, -0.0002012500000000, 0.0001104600000000 ] - [ -0.0009313400000000, -0.0003993800000000, 0.0024131300000000 ] - [ 0.0000237500000000, 0.0002541500000000, -0.0000933400000000 ] - [ -0.0006550800000000, 0.0003051500000000, -0.0000211300000000 ] - [ 0.0011171900000000, -0.0008305000000000, -0.0011487400000000 ] - [ 0.0003018600000000, -0.0003066400000000, -0.0005510400000000 ] - [ -0.0005150700000000, -0.0002717200000000, 0.0006104600000000 ] - [ -0.0005251100000000, 0.0001066400000000, 0.0012184600000000 ] - [ 0.0009278500000000, 0.0002836100000000, 0.0000335800000000 ] - [ -0.0023719700000000, -0.0029536900000000, -0.0031719900000000 ] - [ -0.0018878100000000, 0.0002078600000000, 0.0008111800000000 ] - [ 0.0010574400000000, -0.0009406500000000, -0.0001471400000000 ] - [ -0.0001028900000000, -0.0004742200000000, -0.0005109800000000 ] - [ -0.0001554700000000, 0.0010055000000000, -0.0004483100000000 ] - [ -0.0003618600000000, 0.0002123000000000, -0.0008856100000000 ]- atom: 25 displacement: [ -0.0099987479920404, 0.0000000000000000, 0.0001582358735165 ] forces: - [ 0.0056297300000000, 0.0026327700000000, -0.0036953100000000 ] - [ -0.0011089400000000, -0.0001256000000000, -0.0002586300000000 ] - [ -0.0006231100000000, 0.0001162800000000, 0.0007155200000000 ] - [ 0.0003539900000000, -0.0000887200000000, -0.0010627600000000 ] - [ -0.0055794900000000, -0.0001457400000000, 0.0011105500000000 ] - [ -0.0053221700000000, -0.0004316200000000, -0.0039296500000000 ] - [ 0.0021175100000000, 0.0005907800000000, 0.0010031800000000 ] - [ -0.0003841700000000, 0.0001836500000000, 0.0012424100000000 ] - [ -0.0006095200000000, 0.0000798400000000, -0.0000140100000000 ] - [ 0.0019940400000000, 0.0019261400000000, 0.0026429700000000 ] - [ -0.0009244700000000, -0.0006547000000000, -0.0004857000000000 ] - [ -0.0009219600000000, 0.0020425400000000, 0.0006402300000000 ] - [ -0.0029181500000000, -0.0020424000000000, 0.0037788200000000 ] - [ -0.0002482800000000, 0.0002848600000000, -0.0010823100000000 ] - [ 0.0042714900000000, -0.0015935300000000, -0.0002202300000000 ] - [ -0.0006530300000000, 0.0002310000000000, 0.0000475700000000 ] - [ 0.0002030100000000, -0.0003609300000000, 0.0000829000000000 ] - [ -0.0001537000000000, -0.0002980400000000, -0.0001590500000000 ] - [ -0.0003689000000000, 0.0000758800000000, -0.0001675900000000 ] - [ -0.0004037700000000, 0.0001298100000000, -0.0001615500000000 ] - [ 0.0000060400000000, 0.0000401400000000, 0.0003579800000000 ] - [ 0.0003736900000000, 0.0002057400000000, 0.0000174200000000 ] - [ 0.0010840900000000, -0.0012704300000000, -0.0003113700000000 ] - [ -0.0003169500000000, 0.0001477400000000, 0.0001593400000000 ] - [ 0.2265810200000000, -0.0249553800000000, -0.1342894800000000 ] - [ -0.0007876900000000, -0.0001061000000000, 0.0003175000000000 ] - [ -0.0013682400000000, -0.0000312000000000, 0.0006155200000000 ] - [ -0.0001493800000000, 0.0001273700000000, -0.0002953100000000 ] - [ -0.0000013900000000, 0.0001108900000000, 0.0002493400000000 ] - [ 0.0004484800000000, -0.0003511900000000, -0.0003426100000000 ] - [ 0.0004879500000000, -0.0001182800000000, -0.0000181600000000 ] - [ -0.0000636600000000, -0.0000381400000000, 0.0004488800000000 ] - [ 0.0013946300000000, 0.0055545500000000, 0.0033743900000000 ] - [ -0.0004577300000000, -0.0001622500000000, -0.0000115700000000 ] - [ -0.0007560000000000, 0.0001512500000000, 0.0007252500000000 ] - [ -0.0003244200000000, 0.0000466500000000, -0.0002398700000000 ] - [ 0.0001798900000000, -0.0000892700000000, 0.0001158500000000 ] - [ 0.0002592500000000, 0.0001956700000000, 0.0001692000000000 ] - [ 0.0003647500000000, -0.0001813400000000, 0.0000068900000000 ] - [ 0.0001072700000000, -0.0000734000000000, 0.0001915900000000 ] - [ 0.0004073900000000, 0.0001655400000000, 0.0001221400000000 ] - [ 0.0001143900000000, 0.0004426500000000, -0.0003601400000000 ] - [ -0.0060977600000000, -0.0040459300000000, -0.0056892100000000 ] - [ -0.0000168800000000, -0.0004459400000000, -0.0004673800000000 ] - [ -0.0001147800000000, -0.0003184100000000, 0.0004878600000000 ] - [ -0.0001505700000000, -0.0004221100000000, 0.0004898000000000 ] - [ -0.0004766000000000, 0.0006619800000000, 0.0001977900000000 ] - [ -0.0004899600000000, 0.0001972500000000, 0.0000237000000000 ] - [ -0.0012078400000000, 0.0003024800000000, 0.0000315900000000 ] - [ 0.0007309000000000, 0.0003680900000000, -0.0009920800000000 ] - [ 0.0004241700000000, 0.0003078700000000, -0.0003650600000000 ] - [ -0.0004909200000000, -0.0006210200000000, 0.0007244200000000 ] - [ 0.0010431200000000, -0.0002724400000000, -0.0016835900000000 ] - [ 0.0002120600000000, 0.0001637900000000, 0.0009850200000000 ] - [ -0.0027550000000000, -0.0025933700000000, 0.0010877000000000 ] - [ 0.0010945800000000, -0.0000791600000000, -0.0000221900000000 ] - [ -0.2289519400000000, 0.0211504100000000, 0.1498483000000000 ] - [ 0.0015265800000000, -0.0001271300000000, -0.0000300500000000 ] - [ 0.0010482700000000, -0.0004386400000000, -0.0020022400000000 ] - [ 0.0002804600000000, 0.0001929700000000, 0.0005747600000000 ] - [ 0.0004017900000000, -0.0004165800000000, 0.0003547500000000 ] - [ 0.0006071100000000, 0.0009776000000000, 0.0003186100000000 ] - [ -0.0002375100000000, -0.0001655100000000, -0.0003590300000000 ] - [ -0.0005348600000000, -0.0007474900000000, -0.0010166300000000 ] - [ 0.0069886000000000, -0.0004122500000000, -0.0149422100000000 ] - [ 0.0009376500000000, -0.0002489900000000, 0.0002692400000000 ] - [ 0.0008034300000000, 0.0008364900000000, -0.0019693900000000 ] - [ -0.0001283800000000, 0.0001938800000000, 0.0004894900000000 ] - [ 0.0007507000000000, 0.0001501400000000, -0.0003749800000000 ] - [ -0.0009793700000000, 0.0012805200000000, 0.0007283000000000 ] - [ -0.0001855400000000, -0.0001417400000000, 0.0001533200000000 ] - [ 0.0006121800000000, -0.0001769300000000, -0.0009895600000000 ] - [ 0.0002485100000000, 0.0005419400000000, -0.0001746500000000 ] - [ -0.0011591700000000, 0.0003653200000000, 0.0009909500000000 ] - [ 0.0021240600000000, 0.0022858800000000, 0.0041489400000000 ] - [ 0.0015876000000000, -0.0008562000000000, 0.0002073100000000 ] - [ -0.0007789300000000, 0.0002692000000000, -0.0008528900000000 ] - [ 0.0003701800000000, -0.0001860300000000, -0.0005001900000000 ] - [ 0.0004106600000000, -0.0003355700000000, -0.0005750600000000 ] - [ 0.0006199300000000, 0.0004421300000000, -0.0001356200000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0030401400000000, 0.0125293300000000, -0.0077251200000000 ] - [ -0.0000457000000000, 0.0000348200000000, -0.0005223500000000 ] - [ 0.0000382600000000, -0.0001157400000000, -0.0004116900000000 ] - [ -0.0000724200000000, 0.0000916000000000, -0.0002962600000000 ] - [ 0.0001939700000000, 0.0005677900000000, 0.0002733600000000 ] - [ 0.0000095800000000, -0.0009116200000000, 0.0001004000000000 ] - [ 0.0001114700000000, 0.0000151700000000, 0.0010425700000000 ] - [ 0.0000878900000000, -0.0000156700000000, 0.0004041100000000 ] - [ -0.0001853900000000, 0.0001276600000000, 0.0000068500000000 ] - [ -0.0007652600000000, 0.0008780100000000, 0.0026386800000000 ] - [ -0.0000274600000000, 0.0000661300000000, -0.0000590700000000 ] - [ -0.0004211100000000, 0.0001647900000000, 0.0000897600000000 ] - [ -0.0000315800000000, -0.0003267100000000, 0.0001818900000000 ] - [ 0.0000386500000000, -0.0003057800000000, -0.0000608100000000 ] - [ 0.0006808900000000, 0.0054574200000000, -0.0056272800000000 ] - [ 0.0000849600000000, 0.0001694900000000, 0.0000089400000000 ] - [ -0.0000686600000000, -0.0001920200000000, -0.0002926900000000 ] - [ -0.0001395100000000, -0.0001504100000000, -0.0002531000000000 ] - [ -0.0001179300000000, 0.0000426100000000, -0.0002318700000000 ] - [ -0.0001625100000000, 0.0001711700000000, -0.0001811200000000 ] - [ 0.0001733600000000, 0.0001546200000000, 0.0002555000000000 ] - [ 0.0001089800000000, 0.0000884700000000, 0.0002435100000000 ] - [ 0.0008282600000000, 0.0005328700000000, 0.0007638800000000 ] - [ 0.0001200600000000, -0.0001306700000000, 0.0002072400000000 ] - [ 0.0221647900000000, -0.0476966600000000, -0.0076780100000000 ] - [ -0.0003696200000000, -0.0001438600000000, -0.0000607300000000 ] - [ -0.0005085400000000, 0.0001414100000000, 0.0000635400000000 ] - [ -0.0003483700000000, 0.0001379500000000, -0.0000388000000000 ] - [ 0.0003635500000000, 0.0001570700000000, 0.0001422900000000 ] - [ 0.0008296000000000, 0.0000811900000000, -0.0003137000000000 ] - [ 0.0003583100000000, -0.0001103600000000, 0.0000491300000000 ] - [ 0.0004363200000000, -0.0001687000000000, 0.0000116200000000 ] - [ -0.0047512600000000, 0.0035611500000000, 0.0069663100000000 ] - [ -0.0002779200000000, -0.0000688500000000, -0.0000377400000000 ] - [ -0.0004529800000000, 0.0002486400000000, 0.0002526100000000 ] - [ -0.0002965300000000, 0.0000247400000000, -0.0000740700000000 ] - [ 0.0003250200000000, 0.0000381400000000, 0.0000806200000000 ] - [ 0.0002193000000000, 0.0005770400000000, -0.0000190500000000 ] - [ 0.0002369700000000, -0.0000356400000000, -0.0000121000000000 ] - [ 0.0002878700000000, -0.0000534900000000, 0.0000446200000000 ] - [ 0.0002640600000000, 0.0003490800000000, -0.0002767300000000 ] - [ 0.0002572600000000, 0.0004009900000000, -0.0003382600000000 ] - [ 0.0028746800000000, -0.0012676600000000, 0.0003848800000000 ] - [ 0.0002351300000000, -0.0003636800000000, -0.0003539700000000 ] - [ -0.0002856000000000, -0.0002798300000000, 0.0003154500000000 ] - [ -0.0003180100000000, -0.0003150800000000, 0.0002438600000000 ] - [ -0.0002296600000000, 0.0001881800000000, 0.0005690100000000 ] - [ -0.0002100300000000, 0.0003716300000000, 0.0003096400000000 ] - [ -0.0002370600000000, 0.0003144800000000, 0.0003065800000000 ] - [ -0.0002067800000000, 0.0000637500000000, -0.0001251900000000 ] - [ -0.0002045400000000, 0.0000167300000000, -0.0000165700000000 ] - [ -0.0000423900000000, -0.0006606400000000, -0.0000385700000000 ] - [ 0.0002297000000000, -0.0001396200000000, 0.0000206500000000 ] - [ 0.0003107700000000, 0.0000409600000000, 0.0000350500000000 ] - [ 0.0003080000000000, -0.0024779400000000, -0.0011860300000000 ] - [ 0.0003021600000000, 0.0000450900000000, 0.0000977800000000 ] - [ -0.0193553800000000, 0.0190130800000000, 0.0132838800000000 ] - [ 0.0002643400000000, -0.0001508800000000, 0.0001466100000000 ] - [ 0.0003772100000000, 0.0000978100000000, -0.0000588100000000 ] - [ 0.0002019100000000, 0.0001608800000000, 0.0001255400000000 ] - [ 0.0001869500000000, 0.0001411900000000, -0.0004208400000000 ] - [ -0.0005024200000000, 0.0003217300000000, 0.0002098800000000 ] - [ -0.0001946100000000, -0.0002582500000000, -0.0001368800000000 ] - [ -0.0000114200000000, -0.0004265100000000, 0.0002812400000000 ] - [ 0.0022700100000000, 0.0098319400000000, -0.0022257800000000 ] - [ -0.0000087500000000, -0.0001022500000000, 0.0002997800000000 ] - [ -0.0000968200000000, 0.0005774600000000, -0.0005188000000000 ] - [ -0.0000717600000000, 0.0002362800000000, 0.0001465700000000 ] - [ 0.0001086900000000, 0.0000739400000000, -0.0002686500000000 ] - [ -0.0010010300000000, -0.0012991400000000, -0.0006426800000000 ] - [ 0.0001075300000000, -0.0003488000000000, -0.0001252600000000 ] - [ -0.0000089200000000, -0.0002089100000000, -0.0001848800000000 ] - [ -0.0001091900000000, 0.0003781000000000, 0.0003936000000000 ] - [ -0.0000430600000000, 0.0005628600000000, 0.0006417000000000 ] - [ -0.0009392200000000, 0.0000656400000000, 0.0005479500000000 ] - [ -0.0000526000000000, -0.0003721800000000, 0.0005486500000000 ] - [ -0.0002127200000000, -0.0003803700000000, -0.0001854600000000 ] - [ 0.0001950000000000, -0.0003647200000000, -0.0004167100000000 ] - [ 0.0000818000000000, 0.0002707900000000, -0.0008233600000000 ] - [ 0.0001515400000000, 0.0002607700000000, -0.0004967300000000 ]- atom: 25 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0029488700000000, -0.0122522400000000, 0.0066731700000000 ] - [ 0.0000044300000000, 0.0000190500000000, -0.0003351800000000 ] - [ -0.0000813200000000, 0.0000598700000000, -0.0004434100000000 ] - [ 0.0000349600000000, -0.0001467800000000, -0.0005606100000000 ] - [ -0.0001918100000000, -0.0006230800000000, 0.0006014000000000 ] - [ -0.0000019200000000, 0.0008515100000000, 0.0007461100000000 ] - [ -0.0000671800000000, 0.0000486600000000, -0.0001839500000000 ] - [ -0.0000481300000000, 0.0000738500000000, 0.0004570800000000 ] - [ -0.0000807400000000, 0.0001524100000000, 0.0000043500000000 ] - [ 0.0004974200000000, -0.0006229800000000, -0.0026074200000000 ] - [ -0.0002445300000000, -0.0003459000000000, 0.0000721600000000 ] - [ 0.0001621800000000, -0.0004373500000000, -0.0000795600000000 ] - [ 0.0002925300000000, 0.0000335600000000, -0.0001881300000000 ] - [ 0.0002269100000000, 0.0000193700000000, 0.0000471300000000 ] - [ -0.0003922500000000, -0.0052544800000000, 0.0057275100000000 ] - [ 0.0001835800000000, 0.0001177200000000, -0.0000238200000000 ] - [ -0.0002295700000000, -0.0001009400000000, -0.0001305500000000 ] - [ -0.0001575300000000, -0.0001407400000000, -0.0001688300000000 ] - [ -0.0001836000000000, 0.0002488300000000, -0.0001910100000000 ] - [ -0.0001338400000000, 0.0001182400000000, -0.0002412200000000 ] - [ 0.0001253200000000, 0.0001356500000000, 0.0001659900000000 ] - [ 0.0001887900000000, 0.0002011800000000, 0.0001784700000000 ] - [ -0.0005422400000000, -0.0008255600000000, -0.0003524000000000 ] - [ 0.0001775100000000, -0.0001589600000000, 0.0002149400000000 ] - [ -0.0254444000000000, 0.0480031700000000, 0.0095119200000000 ] - [ -0.0003158700000000, -0.0001216000000000, -0.0000461700000000 ] - [ -0.0001797300000000, 0.0001233400000000, -0.0001707600000000 ] - [ -0.0003379100000000, 0.0001276300000000, -0.0000695600000000 ] - [ 0.0003203000000000, 0.0001074800000000, -0.0000310700000000 ] - [ -0.0001369900000000, 0.0001821800000000, 0.0004167300000000 ] - [ 0.0003292900000000, -0.0001549900000000, 0.0000576700000000 ] - [ 0.0002477600000000, -0.0000963000000000, 0.0000972900000000 ] - [ 0.0041597700000000, -0.0036279700000000, -0.0071210700000000 ] - [ -0.0002934500000000, -0.0000300500000000, -0.0000901100000000 ] - [ -0.0001179100000000, -0.0001462800000000, -0.0003847400000000 ] - [ -0.0002753800000000, 0.0000756300000000, -0.0000542900000000 ] - [ 0.0002460200000000, 0.0000631300000000, 0.0000473800000000 ] - [ 0.0003517900000000, -0.0004692400000000, 0.0001447200000000 ] - [ 0.0003342500000000, -0.0000660200000000, 0.0001384600000000 ] - [ 0.0002831600000000, -0.0000479800000000, 0.0000834900000000 ] - [ 0.0002506600000000, 0.0003524200000000, -0.0003751900000000 ] - [ 0.0002567300000000, 0.0003015500000000, -0.0003122000000000 ] - [ -0.0023293400000000, 0.0006074700000000, -0.0010516400000000 ] - [ 0.0002801300000000, -0.0003369500000000, -0.0002973300000000 ] - [ -0.0002318200000000, -0.0004190800000000, 0.0003331400000000 ] - [ -0.0001965300000000, -0.0003861200000000, 0.0004091800000000 ] - [ -0.0002920600000000, 0.0005146100000000, 0.0000815500000000 ] - [ -0.0003050300000000, 0.0003280400000000, 0.0003410800000000 ] - [ -0.0003212000000000, -0.0002247100000000, -0.0004451500000000 ] - [ -0.0003500400000000, 0.0000219200000000, -0.0000224400000000 ] - [ -0.0003507200000000, -0.0001034400000000, -0.0001256500000000 ] - [ -0.0005258600000000, 0.0005705600000000, -0.0001012800000000 ] - [ 0.0003284100000000, 0.0000600500000000, 0.0001254200000000 ] - [ 0.0002480000000000, -0.0001222300000000, 0.0001095800000000 ] - [ 0.0002447800000000, 0.0025611500000000, 0.0013497800000000 ] - [ 0.0002570000000000, 0.0000369000000000, 0.0000441700000000 ] - [ 0.0223197800000000, -0.0201116300000000, -0.0147958300000000 ] - [ 0.0001460900000000, -0.0001983900000000, 0.0000969300000000 ] - [ 0.0000327100000000, 0.0002482300000000, 0.0002985800000000 ] - [ 0.0002066100000000, 0.0001874600000000, 0.0001202100000000 ] - [ -0.0005805900000000, 0.0002106100000000, 0.0001773200000000 ] - [ 0.0000910700000000, 0.0000320800000000, -0.0004506200000000 ] - [ -0.0002134000000000, -0.0000926500000000, -0.0001055600000000 ] - [ -0.0003960500000000, 0.0000797000000000, -0.0005334900000000 ] - [ -0.0022286400000000, -0.0102647300000000, 0.0025229600000000 ] - [ -0.0001035200000000, -0.0003458900000000, 0.0000878400000000 ] - [ -0.0000096600000000, -0.0001358000000000, 0.0009137200000000 ] - [ -0.0000370400000000, 0.0002108200000000, 0.0002500500000000 ] - [ 0.0000032000000000, 0.0003763400000000, -0.0001299200000000 ] - [ 0.0010936300000000, 0.0017416900000000, 0.0002419600000000 ] - [ 0.0000030900000000, -0.0000997400000000, -0.0002676100000000 ] - [ 0.0001196600000000, -0.0002387100000000, -0.0002126300000000 ] - [ -0.0001576900000000, 0.0002773900000000, 0.0006266000000000 ] - [ -0.0002221200000000, 0.0000885400000000, 0.0003793900000000 ] - [ 0.0006686200000000, -0.0007411600000000, 0.0004758500000000 ] - [ -0.0002080800000000, -0.0002891200000000, 0.0004645400000000 ] - [ 0.0004724700000000, -0.0002755200000000, -0.0008188000000000 ] - [ 0.0000707200000000, -0.0002918800000000, -0.0005997900000000 ] - [ 0.0001949500000000, 0.0003793600000000, -0.0001994600000000 ] - [ 0.0001125500000000, 0.0003978700000000, -0.0005173900000000 ]- atom: 25 displacement: [ -0.0052559485207597, 0.0000000000000000, 0.0085073500660972 ] forces: - [ 0.0058959000000000, -0.0043995400000000, -0.0040729800000000 ] - [ -0.0012280700000000, -0.0000784800000000, -0.0003284400000000 ] - [ -0.0008271100000000, 0.0001539200000000, 0.0010823900000000 ] - [ 0.0006476300000000, -0.0001308600000000, -0.0008287600000000 ] - [ -0.0042842800000000, -0.0002025600000000, 0.0012085600000000 ] - [ -0.0024779800000000, -0.0006126200000000, -0.0051687300000000 ] - [ 0.0021331000000000, 0.0009408200000000, 0.0022361600000000 ] - [ -0.0006641400000000, 0.0001357900000000, 0.0015729500000000 ] - [ -0.0006467600000000, 0.0001605300000000, 0.0003318600000000 ] - [ 0.0009219300000000, 0.0037359200000000, 0.0064253800000000 ] - [ -0.0004531900000000, -0.0003993500000000, -0.0005671500000000 ] - [ -0.0014728000000000, 0.0025925000000000, 0.0005757300000000 ] - [ -0.0036608500000000, -0.0024233000000000, 0.0046606400000000 ] - [ 0.0003708800000000, 0.0001222600000000, -0.0009432700000000 ] - [ 0.0032479600000000, -0.0064123500000000, 0.0011749900000000 ] - [ -0.0007948800000000, 0.0001143400000000, 0.0001729500000000 ] - [ 0.0001525800000000, -0.0004237600000000, 0.0002216200000000 ] - [ -0.0001334800000000, -0.0002663000000000, -0.0001429800000000 ] - [ -0.0004143500000000, 0.0000955500000000, -0.0002106600000000 ] - [ -0.0003211600000000, 0.0001306000000000, -0.0001381400000000 ] - [ 0.0000255900000000, 0.0000756200000000, 0.0004596500000000 ] - [ 0.0006636800000000, 0.0003759000000000, 0.0000681800000000 ] - [ 0.0013254900000000, -0.0006574500000000, -0.0002572500000000 ] - [ -0.0004259700000000, 0.0002138400000000, 0.0001486700000000 ] - [ 0.2317642200000000, -0.0210591300000000, -0.1733166100000000 ] - [ -0.0008851100000000, -0.0001249900000000, 0.0002493700000000 ] - [ -0.0014373800000000, -0.0000509100000000, 0.0007183600000000 ] - [ -0.0000397800000000, 0.0001170700000000, -0.0002656200000000 ] - [ 0.0000011600000000, 0.0001940000000000, 0.0001362800000000 ] - [ 0.0007270000000000, -0.0004251100000000, -0.0007069000000000 ] - [ 0.0004788200000000, -0.0001216400000000, 0.0000502900000000 ] - [ -0.0001996800000000, -0.0000475600000000, 0.0005548900000000 ] - [ -0.0023259400000000, 0.0090301500000000, 0.0049576000000000 ] - [ -0.0004758100000000, -0.0002281200000000, -0.0000170100000000 ] - [ -0.0006112800000000, 0.0001337700000000, 0.0005418900000000 ] - [ -0.0002696900000000, 0.0000091300000000, -0.0002339400000000 ] - [ 0.0001939500000000, -0.0001311300000000, 0.0001247000000000 ] - [ 0.0003193800000000, 0.0003316100000000, 0.0002320000000000 ] - [ 0.0004394300000000, -0.0002932600000000, 0.0000260200000000 ] - [ 0.0000617000000000, -0.0000546100000000, 0.0002106200000000 ] - [ 0.0004938900000000, 0.0000895700000000, 0.0002319400000000 ] - [ 0.0003793600000000, 0.0001293600000000, -0.0002998000000000 ] - [ -0.0006949900000000, -0.0022965000000000, -0.0054761800000000 ] - [ -0.0000599000000000, -0.0005068300000000, -0.0005885200000000 ] - [ -0.0000674900000000, -0.0003475100000000, 0.0006137100000000 ] - [ -0.0001098200000000, -0.0004711100000000, 0.0005936900000000 ] - [ -0.0004527100000000, 0.0007726200000000, 0.0000009200000000 ] - [ -0.0004880800000000, 0.0001645300000000, -0.0000642700000000 ] - [ -0.0014556200000000, 0.0005183000000000, -0.0005949100000000 ] - [ 0.0009095100000000, 0.0003649700000000, -0.0012205300000000 ] - [ 0.0004828100000000, 0.0005193400000000, -0.0002979800000000 ] - [ -0.0009172700000000, -0.0007265300000000, 0.0010310300000000 ] - [ 0.0010640900000000, -0.0002400900000000, -0.0020464200000000 ] - [ -0.0001227600000000, 0.0001132100000000, 0.0009239700000000 ] - [ -0.0025410000000000, -0.0033812100000000, 0.0013636400000000 ] - [ 0.0011580100000000, -0.0000822100000000, -0.0000021900000000 ] - [ -0.2457452800000000, 0.0231781900000000, 0.1762139000000000 ] - [ 0.0015175600000000, -0.0001031200000000, 0.0000898000000000 ] - [ 0.0011456500000000, -0.0004655300000000, -0.0023529700000000 ] - [ -0.0000302500000000, 0.0003287900000000, 0.0001901800000000 ] - [ 0.0002170700000000, -0.0007520100000000, 0.0009809200000000 ] - [ 0.0006008300000000, 0.0010405500000000, 0.0007733700000000 ] - [ -0.0002263400000000, -0.0001900000000000, -0.0006450700000000 ] - [ -0.0005562700000000, -0.0004149300000000, -0.0015057400000000 ] - [ 0.0169034300000000, -0.0006943500000000, -0.0095122300000000 ] - [ 0.0010190500000000, -0.0002008100000000, 0.0006765100000000 ] - [ 0.0009336800000000, 0.0005413800000000, -0.0018472100000000 ] - [ -0.0003311800000000, 0.0002115300000000, 0.0003198600000000 ] - [ 0.0008293800000000, -0.0000337400000000, -0.0003345900000000 ] - [ -0.0013690400000000, 0.0002674300000000, 0.0011690800000000 ] - [ -0.0004030900000000, -0.0001106700000000, -0.0000390600000000 ] - [ 0.0008373300000000, -0.0002018200000000, -0.0011790600000000 ] - [ 0.0003618700000000, 0.0006699000000000, -0.0008604000000000 ] - [ -0.0020299300000000, 0.0007611000000000, -0.0001012200000000 ] - [ 0.0004583200000000, 0.0018575500000000, 0.0046592600000000 ] - [ 0.0021437100000000, -0.0009266800000000, 0.0002907300000000 ] - [ -0.0006539000000000, 0.0003936000000000, -0.0011830200000000 ] - [ 0.0002191800000000, -0.0001544300000000, -0.0006435600000000 ] - [ 0.0007046900000000, -0.0002512200000000, -0.0001764000000000 ] - [ 0.0005548200000000, 0.0005090800000000, -0.0000945100000000 ]- atom: 25 displacement: [ 0.0052559485207597, 0.0000000000000000, -0.0085073500660972 ] forces: - [ -0.0060746300000000, 0.0044129200000000, 0.0033538700000000 ] - [ 0.0012216000000000, 0.0001365400000000, -0.0005309700000000 ] - [ 0.0008027100000000, -0.0002147000000000, -0.0019793100000000 ] - [ -0.0006979700000000, 0.0000763000000000, -0.0000160100000000 ] - [ 0.0044883200000000, 0.0001519000000000, -0.0003515500000000 ] - [ 0.0025914500000000, 0.0005740900000000, 0.0061585600000000 ] - [ -0.0021482100000000, -0.0009045600000000, -0.0014143300000000 ] - [ 0.0007179700000000, -0.0000828400000000, -0.0007369200000000 ] - [ 0.0003971100000000, 0.0001217000000000, -0.0003242500000000 ] - [ -0.0012556300000000, -0.0035039400000000, -0.0064989600000000 ] - [ 0.0001999100000000, 0.0001256900000000, 0.0005994500000000 ] - [ 0.0012354000000000, -0.0029490200000000, -0.0005806500000000 ] - [ 0.0040242000000000, 0.0022033100000000, -0.0048048100000000 ] - [ -0.0001016800000000, -0.0004138500000000, 0.0009611000000000 ] - [ -0.0030684000000000, 0.0067710400000000, -0.0012038900000000 ] - [ 0.0010901300000000, 0.0001701400000000, -0.0001908100000000 ] - [ -0.0004592300000000, 0.0001394500000000, -0.0006542800000000 ] - [ -0.0001627400000000, -0.0000200400000000, -0.0002800800000000 ] - [ 0.0001222000000000, 0.0001976100000000, -0.0002125100000000 ] - [ 0.0000305600000000, 0.0001588600000000, -0.0002851500000000 ] - [ 0.0002763900000000, 0.0002171900000000, -0.0000439700000000 ] - [ -0.0003730500000000, -0.0000873000000000, 0.0003588600000000 ] - [ -0.0010580500000000, 0.0003904100000000, 0.0006918200000000 ] - [ 0.0007398300000000, -0.0005141600000000, 0.0002757600000000 ] - [ -0.2121238100000000, 0.0186742200000000, 0.1618372800000000 ] - [ 0.0002150900000000, -0.0001408300000000, -0.0003670200000000 ] - [ 0.0007815300000000, 0.0003211900000000, -0.0008475100000000 ] - [ -0.0006518900000000, 0.0001486100000000, 0.0001629300000000 ] - [ 0.0006946900000000, 0.0000691800000000, -0.0000311300000000 ] - [ -0.0000494100000000, 0.0007043000000000, 0.0008320300000000 ] - [ 0.0002043300000000, -0.0001441400000000, 0.0000582800000000 ] - [ 0.0008961700000000, -0.0002195700000000, -0.0004577500000000 ] - [ 0.0018024200000000, -0.0094127700000000, -0.0052139600000000 ] - [ -0.0000901200000000, 0.0001340500000000, -0.0001126400000000 ] - [ 0.0000508700000000, -0.0000353800000000, -0.0006957700000000 ] - [ -0.0003010800000000, 0.0000919800000000, 0.0001105500000000 ] - [ 0.0003801600000000, 0.0002376800000000, 0.0000013100000000 ] - [ 0.0002528000000000, -0.0002362000000000, -0.0001056300000000 ] - [ 0.0001292100000000, 0.0001976200000000, 0.0001032400000000 ] - [ 0.0005150400000000, -0.0000460800000000, -0.0000860600000000 ] - [ 0.0000148800000000, 0.0006186300000000, -0.0008991300000000 ] - [ 0.0001381800000000, 0.0005692400000000, -0.0003498700000000 ] - [ 0.0013141700000000, 0.0016744200000000, 0.0049539400000000 ] - [ 0.0005849700000000, -0.0001886600000000, -0.0000550200000000 ] - [ -0.0004540000000000, -0.0003522600000000, 0.0000292200000000 ] - [ -0.0004078300000000, -0.0002275800000000, 0.0000538000000000 ] - [ -0.0000580400000000, -0.0000840000000000, 0.0006548800000000 ] - [ -0.0000211600000000, 0.0005400700000000, 0.0007252300000000 ] - [ 0.0009256100000000, -0.0004451400000000, 0.0004593500000000 ] - [ -0.0014993600000000, -0.0002902600000000, 0.0011018300000000 ] - [ -0.0010640700000000, -0.0006204900000000, 0.0001626200000000 ] - [ 0.0003647100000000, 0.0006634400000000, -0.0011984400000000 ] - [ -0.0005246300000000, 0.0001668500000000, 0.0022531700000000 ] - [ 0.0006841300000000, -0.0002025900000000, -0.0008059200000000 ] - [ 0.0031854100000000, 0.0035568500000000, -0.0012496100000000 ] - [ -0.0006254000000000, 0.0001685400000000, 0.0001449300000000 ] - [ 0.2264244900000000, -0.0213027400000000, -0.1650067300000000 ] - [ -0.0011472000000000, -0.0002483600000000, 0.0001553400000000 ] - [ -0.0007614200000000, 0.0008320500000000, 0.0026635600000000 ] - [ 0.0004371800000000, 0.0000197700000000, 0.0000436400000000 ] - [ -0.0006360900000000, 0.0011269000000000, -0.0012504400000000 ] - [ -0.0010307900000000, -0.0007142000000000, -0.0010387500000000 ] - [ -0.0001811200000000, -0.0001597500000000, 0.0004120800000000 ] - [ 0.0001548500000000, 0.0000804100000000, 0.0012804000000000 ] - [ -0.0177729900000000, 0.0002869900000000, 0.0103590600000000 ] - [ -0.0011641200000000, -0.0002488700000000, -0.0002990900000000 ] - [ -0.0010613100000000, -0.0001117300000000, 0.0023077400000000 ] - [ 0.0002250900000000, 0.0002366600000000, 0.0000713200000000 ] - [ -0.0007427600000000, 0.0004902200000000, -0.0000582100000000 ] - [ 0.0015106600000000, 0.0001733700000000, -0.0015925500000000 ] - [ 0.0005208200000000, -0.0003395700000000, -0.0003649400000000 ] - [ -0.0007437800000000, -0.0002470800000000, 0.0008063800000000 ] - [ -0.0006416900000000, -0.0000226200000000, 0.0019110800000000 ] - [ 0.0017916300000000, -0.0001072300000000, 0.0011089900000000 ] - [ -0.0007548100000000, -0.0025775500000000, -0.0037420300000000 ] - [ -0.0024705900000000, 0.0002852300000000, 0.0007295000000000 ] - [ 0.0009455800000000, -0.0010698500000000, 0.0001862000000000 ] - [ 0.0000401900000000, -0.0005061600000000, -0.0003727200000000 ] - [ -0.0004399700000000, 0.0009313300000000, -0.0008388400000000 ] - [ -0.0003035900000000, 0.0001451200000000, -0.0009311100000000 ]- atom: 33 displacement: [ 0.0099987479920404, 0.0000000000000000, -0.0001582358735165 ] forces: - [ -0.0011650000000000, 0.0012294300000000, -0.0006577600000000 ] - [ 0.0003861300000000, 0.0000619200000000, -0.0004395500000000 ] - [ -0.0000762300000000, -0.0002009200000000, -0.0008866300000000 ] - [ 0.0001347400000000, -0.0000321400000000, 0.0000529400000000 ] - [ 0.0006252500000000, -0.0002148200000000, -0.0001161900000000 ] - [ 0.0024997200000000, 0.0016299300000000, 0.0030070200000000 ] - [ -0.0002682600000000, 0.0000949400000000, 0.0044828200000000 ] - [ 0.0004428700000000, -0.0000278300000000, 0.0001365100000000 ] - [ -0.0000324900000000, 0.0001292500000000, 0.0002474900000000 ] - [ -0.0004263200000000, 0.0000618700000000, -0.0001922900000000 ] - [ 0.0007368800000000, 0.0003274500000000, 0.0001116100000000 ] - [ 0.0018778400000000, -0.0068661800000000, -0.0016876300000000 ] - [ 0.0020082500000000, 0.0019850700000000, -0.0016871400000000 ] - [ 0.0006007200000000, -0.0004944300000000, 0.0003485400000000 ] - [ -0.0012302200000000, 0.0002352000000000, -0.0019112800000000 ] - [ 0.0003986200000000, 0.0001393100000000, 0.0001978900000000 ] - [ -0.0004139400000000, -0.0001676500000000, -0.0003486900000000 ] - [ -0.0000549700000000, -0.0000892000000000, -0.0001822000000000 ] - [ -0.0000959800000000, 0.0001884100000000, -0.0003055000000000 ] - [ 0.0001660700000000, 0.0001424100000000, -0.0002986900000000 ] - [ 0.0001202200000000, 0.0001533100000000, 0.0001408400000000 ] - [ 0.0001683100000000, 0.0001357400000000, 0.0002628300000000 ] - [ 0.0046040600000000, 0.0038086500000000, 0.0003192200000000 ] - [ 0.0004417900000000, -0.0003523800000000, 0.0002778700000000 ] - [ -0.0020522800000000, -0.0047312300000000, -0.0036346400000000 ] - [ -0.0001708600000000, -0.0001252100000000, -0.0001747800000000 ] - [ 0.0001413800000000, 0.0003049200000000, -0.0001553200000000 ] - [ -0.0003063200000000, 0.0001433300000000, -0.0000106100000000 ] - [ 0.0004502800000000, 0.0001719800000000, 0.0000095500000000 ] - [ 0.0003700700000000, 0.0000628100000000, 0.0001064300000000 ] - [ 0.0002648900000000, -0.0000850300000000, 0.0001882700000000 ] - [ 0.0005241600000000, -0.0001354000000000, -0.0001048800000000 ] - [ -0.0803359200000000, -0.1192843900000000, -0.0150530300000000 ] - [ -0.0001676500000000, 0.0000059900000000, -0.0000642000000000 ] - [ -0.0002649300000000, 0.0000880400000000, -0.0001475800000000 ] - [ -0.0002745000000000, -0.0000181500000000, -0.0000510100000000 ] - [ 0.0003200200000000, 0.0001060300000000, 0.0000474800000000 ] - [ 0.0001282600000000, -0.0001523900000000, -0.0001036700000000 ] - [ 0.0002725900000000, -0.0000209900000000, 0.0000703000000000 ] - [ 0.0003333200000000, -0.0000952800000000, 0.0000612300000000 ] - [ 0.0000047000000000, 0.0005061200000000, -0.0005910000000000 ] - [ 0.0003432300000000, 0.0003238800000000, -0.0002554100000000 ] - [ 0.0016817100000000, -0.0011861200000000, -0.0012293400000000 ] - [ 0.0003352700000000, -0.0001805300000000, -0.0000893700000000 ] - [ -0.0004117800000000, -0.0002869900000000, 0.0003925100000000 ] - [ -0.0002419400000000, -0.0003441200000000, 0.0003340000000000 ] - [ -0.0002402500000000, 0.0003785600000000, 0.0003222400000000 ] - [ -0.0001699600000000, 0.0003520200000000, 0.0003877900000000 ] - [ -0.0000194500000000, 0.0004119000000000, -0.0002362700000000 ] - [ -0.0005787100000000, -0.0000314700000000, 0.0000702600000000 ] - [ -0.0004778500000000, -0.0001545700000000, 0.0001738200000000 ] - [ -0.0005765500000000, 0.0006169200000000, -0.0009999600000000 ] - [ 0.0002655800000000, -0.0000230000000000, 0.0003010400000000 ] - [ 0.0001886200000000, 0.0000375000000000, -0.0002205800000000 ] - [ 0.0051482300000000, -0.0100517700000000, 0.0000880400000000 ] - [ -0.0002304000000000, 0.0001680400000000, 0.0000443100000000 ] - [ 0.0017154800000000, 0.0013338300000000, 0.0010408600000000 ] - [ -0.0002333600000000, -0.0002595400000000, -0.0000319900000000 ] - [ 0.0002024100000000, 0.0003492200000000, 0.0016533300000000 ] - [ -0.0000674500000000, 0.0001490700000000, -0.0000822300000000 ] - [ -0.0001322000000000, 0.0002542000000000, -0.0001136600000000 ] - [ -0.0003557000000000, 0.0007578800000000, -0.0004212800000000 ] - [ 0.0000166800000000, -0.0003880600000000, -0.0003039700000000 ] - [ -0.0002620300000000, -0.0002223700000000, 0.0001294500000000 ] - [ 0.0680078100000000, 0.1300915500000000, 0.0176867800000000 ] - [ -0.0004940000000000, -0.0001854200000000, 0.0002635200000000 ] - [ -0.0003728600000000, 0.0002085800000000, 0.0006731700000000 ] - [ -0.0003215200000000, 0.0002320200000000, -0.0001342700000000 ] - [ -0.0001231400000000, 0.0002159300000000, -0.0001894000000000 ] - [ 0.0002877300000000, -0.0003420200000000, -0.0004449600000000 ] - [ -0.0001697200000000, -0.0004273100000000, -0.0005685400000000 ] - [ -0.0002680400000000, -0.0001267600000000, 0.0002131100000000 ] - [ 0.0000834100000000, 0.0002656000000000, 0.0006517400000000 ] - [ -0.0000146800000000, 0.0003812600000000, 0.0003497600000000 ] - [ -0.0023595200000000, 0.0001250700000000, 0.0005061200000000 ] - [ -0.0014429200000000, -0.0004651400000000, 0.0005545400000000 ] - [ 0.0008902300000000, -0.0007913100000000, -0.0003325200000000 ] - [ -0.0001357700000000, -0.0003542800000000, -0.0005819100000000 ] - [ 0.0000385200000000, 0.0001244800000000, -0.0001720900000000 ] - [ -0.0001903700000000, 0.0004247700000000, -0.0006932100000000 ]- atom: 33 displacement: [ -0.0099987479920404, 0.0000000000000000, 0.0001582358735165 ] forces: - [ 0.0011506100000000, -0.0011966900000000, -0.0002026800000000 ] - [ -0.0004286800000000, -0.0000060300000000, -0.0004184900000000 ] - [ 0.0000350700000000, 0.0001450700000000, 0.0000275400000000 ] - [ -0.0001748100000000, -0.0000237400000000, -0.0009117900000000 ] - [ -0.0005837300000000, 0.0001612000000000, 0.0009800300000000 ] - [ -0.0024730600000000, -0.0016554000000000, -0.0021280900000000 ] - [ 0.0003383700000000, -0.0000283000000000, -0.0036192200000000 ] - [ -0.0004009600000000, 0.0000842000000000, 0.0007158500000000 ] - [ -0.0002338400000000, 0.0001534700000000, -0.0002313700000000 ] - [ 0.0001600600000000, 0.0002193200000000, 0.0002020900000000 ] - [ -0.0010058900000000, -0.0006148800000000, -0.0000989900000000 ] - [ -0.0021286300000000, 0.0065065900000000, 0.0016748400000000 ] - [ -0.0017579300000000, -0.0022464000000000, 0.0016698500000000 ] - [ -0.0003330300000000, 0.0002141300000000, -0.0003655100000000 ] - [ 0.0015074500000000, 0.0000647800000000, 0.0018786900000000 ] - [ -0.0001310700000000, 0.0001437000000000, -0.0002081200000000 ] - [ 0.0001160700000000, -0.0001262100000000, -0.0000720700000000 ] - [ -0.0002418200000000, -0.0002011600000000, -0.0002404100000000 ] - [ -0.0001992800000000, 0.0001007300000000, -0.0001166100000000 ] - [ -0.0004610300000000, 0.0001463300000000, -0.0001234400000000 ] - [ 0.0001770900000000, 0.0001369800000000, 0.0002820600000000 ] - [ 0.0001278800000000, 0.0001541000000000, 0.0001596300000000 ] - [ -0.0043726500000000, -0.0041739900000000, 0.0001018900000000 ] - [ -0.0001401500000000, 0.0000586600000000, 0.0001456100000000 ] - [ 0.0013995100000000, 0.0044018400000000, 0.0035374900000000 ] - [ -0.0005152600000000, -0.0001397400000000, 0.0000677000000000 ] - [ -0.0008284400000000, -0.0000404100000000, 0.0000468700000000 ] - [ -0.0003788300000000, 0.0001222600000000, -0.0000986900000000 ] - [ 0.0002361600000000, 0.0000932800000000, 0.0000986900000000 ] - [ 0.0003095800000000, 0.0001924200000000, -0.0000029500000000 ] - [ 0.0004221900000000, -0.0001797800000000, -0.0000805600000000 ] - [ 0.0001642000000000, -0.0001298700000000, 0.0002111000000000 ] - [ 0.0817825200000000, 0.1169854300000000, 0.0146324000000000 ] - [ -0.0004031300000000, -0.0001055000000000, -0.0000633300000000 ] - [ -0.0003062600000000, 0.0000118600000000, 0.0000203000000000 ] - [ -0.0002971500000000, 0.0001173300000000, -0.0000775200000000 ] - [ 0.0002517400000000, -0.0000053100000000, 0.0000804400000000 ] - [ 0.0004411600000000, 0.0002506000000000, 0.0002348600000000 ] - [ 0.0002990900000000, -0.0000809500000000, 0.0000571500000000 ] - [ 0.0002381800000000, -0.0000063900000000, 0.0000670500000000 ] - [ 0.0005094800000000, 0.0001953700000000, -0.0000608500000000 ] - [ 0.0001719400000000, 0.0003771900000000, -0.0003966000000000 ] - [ -0.0011790600000000, 0.0004985700000000, 0.0005908200000000 ] - [ 0.0001808700000000, -0.0005166600000000, -0.0005572000000000 ] - [ -0.0001041900000000, -0.0004120600000000, 0.0002564600000000 ] - [ -0.0002738900000000, -0.0003561000000000, 0.0003165900000000 ] - [ -0.0002751400000000, 0.0003216500000000, 0.0003302300000000 ] - [ -0.0003469900000000, 0.0003469200000000, 0.0002612000000000 ] - [ -0.0005448800000000, -0.0003225400000000, 0.0000922300000000 ] - [ 0.0000205200000000, 0.0001150700000000, -0.0002111600000000 ] - [ -0.0000846300000000, 0.0000725800000000, -0.0003173800000000 ] - [ 0.0000189900000000, -0.0006940100000000, 0.0008463000000000 ] - [ 0.0002928600000000, -0.0000598600000000, -0.0001600100000000 ] - [ 0.0003703300000000, -0.0001212500000000, 0.0003603600000000 ] - [ -0.0047089300000000, 0.0101865900000000, 0.0000598800000000 ] - [ 0.0007851100000000, -0.0000812600000000, 0.0000968900000000 ] - [ -0.0013286800000000, -0.0016550200000000, -0.0007893800000000 ] - [ 0.0006418200000000, -0.0000924000000000, 0.0002706300000000 ] - [ 0.0002185400000000, -0.0000046400000000, -0.0014069200000000 ] - [ 0.0004750800000000, 0.0002006700000000, 0.0003285700000000 ] - [ -0.0002771000000000, 0.0000955700000000, -0.0001310700000000 ] - [ -0.0000365400000000, -0.0003884500000000, 0.0001757100000000 ] - [ -0.0004256400000000, 0.0000361700000000, 0.0000585200000000 ] - [ -0.0001471900000000, -0.0001279100000000, -0.0003685900000000 ] - [ -0.0700033200000000, -0.1282959400000000, -0.0170033200000000 ] - [ 0.0003850400000000, -0.0002642900000000, 0.0001312100000000 ] - [ 0.0002647600000000, 0.0002392600000000, -0.0002771600000000 ] - [ 0.0002098500000000, 0.0002165600000000, 0.0005275200000000 ] - [ 0.0002318000000000, 0.0002321500000000, -0.0002071100000000 ] - [ -0.0001781600000000, 0.0008042700000000, 0.0000560500000000 ] - [ 0.0002765600000000, -0.0000207000000000, 0.0001742100000000 ] - [ 0.0003732800000000, -0.0003184800000000, -0.0006032600000000 ] - [ -0.0003475500000000, 0.0003906300000000, 0.0003625700000000 ] - [ -0.0002489000000000, 0.0002754800000000, 0.0006677200000000 ] - [ 0.0021062700000000, -0.0007878200000000, 0.0005073400000000 ] - [ 0.0011536800000000, -0.0001950500000000, 0.0004621500000000 ] - [ -0.0006224100000000, 0.0001413600000000, -0.0006779200000000 ] - [ 0.0004025700000000, -0.0003026200000000, -0.0004318000000000 ] - [ 0.0002256200000000, 0.0005325300000000, -0.0008451800000000 ] - [ 0.0004568900000000, 0.0002349300000000, -0.0003205200000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0008717300000000, 0.0071316300000000, -0.0006751500000000 ] - [ 0.0002677500000000, 0.0002514400000000, -0.0004536100000000 ] - [ -0.0000013400000000, -0.0000058100000000, -0.0005319200000000 ] - [ 0.0000135300000000, 0.0000732100000000, -0.0003226200000000 ] - [ -0.0004141300000000, -0.0001450100000000, 0.0001130800000000 ] - [ 0.0021686300000000, 0.0001281500000000, 0.0027391500000000 ] - [ -0.0002580700000000, -0.0034835900000000, 0.0021358300000000 ] - [ 0.0001659300000000, -0.0002627800000000, 0.0002599800000000 ] - [ 0.0000366500000000, 0.0003478600000000, 0.0001648200000000 ] - [ -0.0001204500000000, 0.0009024700000000, 0.0003432300000000 ] - [ 0.0010565400000000, -0.0001227300000000, 0.0001235500000000 ] - [ -0.0071632100000000, 0.0018793000000000, 0.0021197700000000 ] - [ 0.0023861700000000, 0.0017303300000000, -0.0025099000000000 ] - [ 0.0002437800000000, -0.0001526000000000, 0.0002404000000000 ] - [ -0.0000709500000000, -0.0018498300000000, -0.0037607500000000 ] - [ 0.0002888600000000, -0.0000497700000000, 0.0001427100000000 ] - [ -0.0000957100000000, 0.0003875000000000, -0.0004309700000000 ] - [ -0.0000822200000000, -0.0000246600000000, -0.0001679000000000 ] - [ 0.0000490400000000, 0.0000707100000000, -0.0002953400000000 ] - [ -0.0002283000000000, 0.0002802400000000, -0.0001263200000000 ] - [ 0.0000668300000000, 0.0001101100000000, 0.0001691900000000 ] - [ 0.0000938900000000, 0.0001647000000000, 0.0003311500000000 ] - [ 0.0038978100000000, -0.0025138600000000, 0.0005249100000000 ] - [ 0.0002848000000000, -0.0003109200000000, 0.0002490800000000 ] - [ -0.0058285300000000, 0.0034554800000000, 0.0073540800000000 ] - [ -0.0002343100000000, -0.0001521100000000, -0.0001951000000000 ] - [ -0.0002451000000000, 0.0003285600000000, -0.0000899500000000 ] - [ -0.0003470400000000, 0.0001076100000000, -0.0000086100000000 ] - [ 0.0004805100000000, 0.0001201100000000, -0.0000747500000000 ] - [ 0.0001989900000000, 0.0006462700000000, 0.0002934700000000 ] - [ 0.0002157800000000, -0.0001181900000000, 0.0002587300000000 ] - [ 0.0003195000000000, -0.0001356300000000, 0.0000460800000000 ] - [ -0.1255818800000000, -0.3260230900000000, -0.0473732800000000 ] - [ -0.0002313500000000, -0.0000848900000000, -0.0000700700000000 ] - [ -0.0003223800000000, -0.0000423100000000, 0.0000048300000000 ] - [ -0.0002169000000000, -0.0000059100000000, 0.0000631600000000 ] - [ 0.0003404000000000, 0.0000865100000000, 0.0000578300000000 ] - [ 0.0000823500000000, 0.0001693900000000, -0.0001714000000000 ] - [ 0.0002581200000000, 0.0003859100000000, 0.0002231300000000 ] - [ 0.0003281700000000, 0.0001501200000000, 0.0000020300000000 ] - [ 0.0001996900000000, 0.0003225500000000, -0.0003876000000000 ] - [ 0.0003279400000000, 0.0002459100000000, -0.0002696700000000 ] - [ -0.0008464100000000, -0.0015411500000000, -0.0006057300000000 ] - [ 0.0003962800000000, -0.0002979500000000, -0.0003707100000000 ] - [ -0.0002815400000000, -0.0002487600000000, 0.0006755300000000 ] - [ -0.0002826300000000, -0.0002998200000000, 0.0002761100000000 ] - [ -0.0000800000000000, 0.0005792000000000, 0.0002409700000000 ] - [ -0.0001948200000000, 0.0004883700000000, 0.0004615300000000 ] - [ 0.0003078800000000, -0.0006624400000000, 0.0003580500000000 ] - [ -0.0007543500000000, -0.0001718800000000, -0.0000395700000000 ] - [ -0.0005224600000000, 0.0000790500000000, 0.0000563600000000 ] - [ 0.0005074900000000, 0.0003383700000000, 0.0003514300000000 ] - [ 0.0004187500000000, -0.0001541000000000, 0.0004762300000000 ] - [ 0.0002202400000000, -0.0003306600000000, -0.0005300300000000 ] - [ -0.0062881300000000, -0.0093807400000000, 0.0002731200000000 ] - [ -0.0000218900000000, 0.0001824200000000, 0.0000717100000000 ] - [ 0.0046699600000000, -0.0010756700000000, -0.0032406700000000 ] - [ -0.0004254000000000, -0.0001577300000000, 0.0002539900000000 ] - [ 0.0001298500000000, 0.0012051600000000, 0.0005526900000000 ] - [ 0.0000514800000000, 0.0002832800000000, -0.0000485900000000 ] - [ -0.0006106500000000, -0.0001613200000000, 0.0000296100000000 ] - [ -0.0005762100000000, -0.0013005800000000, -0.0001882900000000 ] - [ -0.0001423500000000, -0.0001958000000000, -0.0004101000000000 ] - [ -0.0001016500000000, -0.0004982500000000, 0.0001187500000000 ] - [ 0.1349809700000000, 0.3289811700000000, 0.0422928300000000 ] - [ -0.0002850600000000, -0.0001716100000000, 0.0003927700000000 ] - [ -0.0002642200000000, 0.0005729200000000, 0.0003875600000000 ] - [ -0.0003055700000000, 0.0003186100000000, -0.0001461700000000 ] - [ -0.0001344700000000, 0.0001124800000000, -0.0001225500000000 ] - [ 0.0006239900000000, -0.0010173700000000, 0.0000400200000000 ] - [ -0.0004073500000000, -0.0006398200000000, -0.0010268600000000 ] - [ 0.0002873400000000, -0.0005619200000000, -0.0004724900000000 ] - [ 0.0000209600000000, 0.0004790100000000, 0.0004187300000000 ] - [ 0.0001038300000000, 0.0007605900000000, 0.0001755400000000 ] - [ -0.0014801700000000, 0.0024856500000000, 0.0002633400000000 ] - [ -0.0006856000000000, 0.0006143700000000, 0.0007907600000000 ] - [ 0.0007526500000000, -0.0018822400000000, -0.0011374000000000 ] - [ -0.0000687900000000, -0.0004784500000000, -0.0004961900000000 ] - [ -0.0003248200000000, -0.0003374600000000, 0.0004873500000000 ] - [ 0.0001547900000000, 0.0000927300000000, -0.0006548800000000 ]- atom: 33 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0008961800000000, -0.0072230100000000, -0.0001662400000000 ] - [ -0.0003276700000000, -0.0002008800000000, -0.0004040100000000 ] - [ -0.0000381500000000, -0.0000505300000000, -0.0003173300000000 ] - [ -0.0000597300000000, -0.0001315800000000, -0.0005498500000000 ] - [ 0.0004488400000000, 0.0000937200000000, 0.0007599800000000 ] - [ -0.0022355700000000, -0.0001959900000000, -0.0019977300000000 ] - [ 0.0003225000000000, 0.0035974800000000, -0.0013321700000000 ] - [ -0.0001343100000000, 0.0003256400000000, 0.0006062600000000 ] - [ -0.0003115200000000, -0.0000682200000000, -0.0001620700000000 ] - [ -0.0001371900000000, -0.0006294300000000, -0.0003295900000000 ] - [ -0.0013658300000000, -0.0001673100000000, -0.0001137500000000 ] - [ 0.0070523200000000, -0.0021554200000000, -0.0021342800000000 ] - [ -0.0021793100000000, -0.0020572900000000, 0.0025973800000000 ] - [ 0.0000089700000000, -0.0001256200000000, -0.0002654900000000 ] - [ 0.0003732000000000, 0.0021846500000000, 0.0038192000000000 ] - [ -0.0000313500000000, 0.0003359000000000, -0.0001644800000000 ] - [ -0.0001968800000000, -0.0006826000000000, 0.0000121000000000 ] - [ -0.0002186100000000, -0.0002696900000000, -0.0002556100000000 ] - [ -0.0003505700000000, 0.0002200200000000, -0.0001239400000000 ] - [ -0.0000730100000000, 0.0000064400000000, -0.0002969400000000 ] - [ 0.0002344000000000, 0.0001817300000000, 0.0002553100000000 ] - [ 0.0002051900000000, 0.0001256200000000, 0.0000875000000000 ] - [ -0.0036841700000000, 0.0023371800000000, -0.0001090800000000 ] - [ 0.0000066700000000, 0.0000259200000000, 0.0001717400000000 ] - [ 0.0052483700000000, -0.0037331500000000, -0.0074770900000000 ] - [ -0.0004581500000000, -0.0001128700000000, 0.0000928100000000 ] - [ -0.0004474800000000, -0.0000668000000000, -0.0000158000000000 ] - [ -0.0003399000000000, 0.0001580800000000, -0.0001013800000000 ] - [ 0.0002009400000000, 0.0001446900000000, 0.0001858500000000 ] - [ 0.0004852400000000, -0.0004005100000000, -0.0001973000000000 ] - [ 0.0004755600000000, -0.0001482600000000, -0.0001581400000000 ] - [ 0.0003656600000000, -0.0001296500000000, 0.0000641900000000 ] - [ 0.1125105100000000, 0.3037547100000000, 0.0435662000000000 ] - [ -0.0003432500000000, -0.0000163600000000, -0.0000574700000000 ] - [ -0.0002490500000000, 0.0001448500000000, -0.0001316000000000 ] - [ -0.0003571600000000, 0.0001090100000000, -0.0001941700000000 ] - [ 0.0002299100000000, 0.0000131700000000, 0.0000704600000000 ] - [ 0.0004937300000000, -0.0000695800000000, 0.0003095600000000 ] - [ 0.0003135700000000, -0.0004935900000000, -0.0000984100000000 ] - [ 0.0002418600000000, -0.0002557200000000, 0.0001279400000000 ] - [ 0.0003198200000000, 0.0003771000000000, -0.0002609000000000 ] - [ 0.0001842200000000, 0.0004570200000000, -0.0003847200000000 ] - [ 0.0013718500000000, 0.0008638800000000, -0.0000292000000000 ] - [ 0.0001140100000000, -0.0004053100000000, -0.0002827300000000 ] - [ -0.0002310300000000, -0.0004536800000000, -0.0000337800000000 ] - [ -0.0002328800000000, -0.0004017500000000, 0.0003756000000000 ] - [ -0.0004398100000000, 0.0001160900000000, 0.0004125800000000 ] - [ -0.0003260400000000, 0.0002070000000000, 0.0001817400000000 ] - [ -0.0008725700000000, 0.0007458500000000, -0.0004956300000000 ] - [ 0.0002121600000000, 0.0002610900000000, -0.0001070100000000 ] - [ -0.0000299400000000, -0.0001615000000000, -0.0002047100000000 ] - [ -0.0010761200000000, -0.0004399700000000, -0.0004887700000000 ] - [ 0.0001358400000000, 0.0000723100000000, -0.0003513900000000 ] - [ 0.0003429100000000, 0.0002519900000000, 0.0006915000000000 ] - [ 0.0071594100000000, 0.0098706300000000, -0.0001377300000000 ] - [ 0.0005943500000000, -0.0001024800000000, 0.0000707600000000 ] - [ -0.0043379300000000, 0.0007181700000000, 0.0034906000000000 ] - [ 0.0008562300000000, -0.0001918000000000, -0.0000091100000000 ] - [ 0.0002711300000000, -0.0008768000000000, -0.0003311000000000 ] - [ 0.0003635000000000, 0.0000645900000000, 0.0003018500000000 ] - [ 0.0002114000000000, 0.0005157000000000, -0.0002773000000000 ] - [ 0.0001968400000000, 0.0016880700000000, -0.0000504900000000 ] - [ -0.0002706800000000, -0.0001496500000000, 0.0001747500000000 ] - [ -0.0003074300000000, 0.0001539100000000, -0.0003702000000000 ] - [ -0.1230134800000000, -0.3076687600000000, -0.0381933600000000 ] - [ 0.0001890700000000, -0.0002789900000000, -0.0000008600000000 ] - [ 0.0001610500000000, -0.0001315100000000, -0.0000025000000000 ] - [ 0.0002079200000000, 0.0001272100000000, 0.0005563900000000 ] - [ 0.0002517600000000, 0.0003374300000000, -0.0002748300000000 ] - [ -0.0005329700000000, 0.0015101500000000, -0.0004295800000000 ] - [ 0.0005324900000000, 0.0002014400000000, 0.0006556900000000 ] - [ -0.0001793800000000, 0.0001209500000000, 0.0000746600000000 ] - [ -0.0002913000000000, 0.0001744300000000, 0.0005989700000000 ] - [ -0.0003775900000000, -0.0001126000000000, 0.0008512000000000 ] - [ 0.0012721200000000, -0.0032099800000000, 0.0007567500000000 ] - [ 0.0004471400000000, -0.0012924500000000, 0.0002164600000000 ] - [ -0.0005158700000000, 0.0012631000000000, 0.0001310900000000 ] - [ 0.0003448600000000, -0.0001754000000000, -0.0005172900000000 ] - [ 0.0006000300000000, 0.0010101200000000, -0.0015305400000000 ] - [ 0.0001201800000000, 0.0005696300000000, -0.0003494000000000 ]- atom: 33 displacement: [ -0.0052559485207597, 0.0000000000000000, 0.0085073500660972 ] forces: - [ 0.0007162400000000, -0.0007227800000000, -0.0002616200000000 ] - [ -0.0002364600000000, 0.0000066900000000, -0.0003503200000000 ] - [ -0.0002533100000000, 0.0003765600000000, 0.0000500800000000 ] - [ 0.0001654000000000, -0.0000670800000000, -0.0005163900000000 ] - [ -0.0008874200000000, -0.0000236300000000, 0.0007623200000000 ] - [ 0.0004012200000000, 0.0004114800000000, 0.0001733700000000 ] - [ 0.0034940400000000, 0.0012795600000000, 0.0024876400000000 ] - [ -0.0002598500000000, 0.0000266600000000, 0.0007197400000000 ] - [ -0.0001615000000000, 0.0000389600000000, 0.0000750000000000 ] - [ 0.0001818000000000, 0.0004016900000000, 0.0003482700000000 ] - [ -0.0005143000000000, -0.0003219000000000, -0.0001155300000000 ] - [ -0.0025777200000000, 0.0050321800000000, -0.0006473400000000 ] - [ -0.0021440100000000, -0.0028541300000000, 0.0013218500000000 ] - [ 0.0001391400000000, -0.0000177200000000, -0.0003029800000000 ] - [ -0.0002421700000000, -0.0021791100000000, 0.0042714000000000 ] - [ -0.0000006800000000, 0.0002358300000000, 0.0001184900000000 ] - [ -0.0001826700000000, -0.0003318900000000, -0.0001621400000000 ] - [ -0.0001852800000000, -0.0001526300000000, -0.0002182600000000 ] - [ -0.0002469600000000, 0.0001465000000000, -0.0001780200000000 ] - [ -0.0001132200000000, 0.0001493600000000, -0.0003241400000000 ] - [ 0.0000525300000000, 0.0000400100000000, 0.0002628400000000 ] - [ 0.0002580300000000, 0.0002025300000000, 0.0001717600000000 ] - [ -0.0022668300000000, -0.0024158400000000, -0.0005983400000000 ] - [ -0.0000092400000000, -0.0000309400000000, 0.0001819600000000 ] - [ -0.0023609500000000, 0.0082292600000000, 0.0051436900000000 ] - [ -0.0004784900000000, -0.0001144800000000, 0.0000298200000000 ] - [ -0.0012618600000000, -0.0002245200000000, 0.0001986600000000 ] - [ -0.0002136200000000, 0.0001355400000000, -0.0001565500000000 ] - [ 0.0002437200000000, 0.0001259300000000, 0.0001109200000000 ] - [ 0.0002368100000000, 0.0000937200000000, 0.0001356100000000 ] - [ 0.0004323700000000, -0.0000941800000000, -0.0000244500000000 ] - [ 0.0001412400000000, -0.0001149000000000, 0.0002175600000000 ] - [ 0.0302554800000000, 0.0252992600000000, -0.0219087300000000 ] - [ -0.0003476800000000, -0.0000849100000000, -0.0000527700000000 ] - [ -0.0003664800000000, -0.0000268700000000, 0.0000392200000000 ] - [ -0.0002819800000000, -0.0000224200000000, -0.0001445900000000 ] - [ 0.0002542800000000, 0.0000158900000000, 0.0000843200000000 ] - [ 0.0002274400000000, -0.0000447000000000, 0.0002764400000000 ] - [ 0.0002978600000000, -0.0002017400000000, 0.0000191600000000 ] - [ 0.0002591900000000, 0.0000266500000000, 0.0000881300000000 ] - [ 0.0004615200000000, 0.0001226000000000, 0.0000858800000000 ] - [ 0.0002833800000000, 0.0003133500000000, -0.0003111200000000 ] - [ -0.0009130500000000, -0.0000616400000000, -0.0005471500000000 ] - [ 0.0002504900000000, -0.0004390800000000, -0.0004236600000000 ] - [ -0.0002663100000000, -0.0003602900000000, 0.0002314900000000 ] - [ -0.0002162700000000, -0.0003777100000000, 0.0004010700000000 ] - [ -0.0003040200000000, 0.0004000400000000, 0.0002622700000000 ] - [ -0.0002894300000000, 0.0003010400000000, 0.0002846400000000 ] - [ -0.0006486500000000, 0.0003852300000000, -0.0001092800000000 ] - [ -0.0002767400000000, 0.0000254100000000, -0.0002385500000000 ] - [ -0.0000634800000000, 0.0000308800000000, -0.0002329400000000 ] - [ -0.0010120000000000, 0.0002032300000000, 0.0002620600000000 ] - [ 0.0005359600000000, -0.0000425900000000, 0.0000195600000000 ] - [ 0.0001453300000000, 0.0000190100000000, 0.0002740500000000 ] - [ -0.0023564800000000, 0.0051460900000000, 0.0067462000000000 ] - [ 0.0005440800000000, -0.0000325900000000, 0.0000396600000000 ] - [ 0.0005870000000000, -0.0026559400000000, -0.0011265600000000 ] - [ 0.0005039400000000, -0.0001103100000000, 0.0000840400000000 ] - [ 0.0016345000000000, -0.0000063900000000, -0.0019740900000000 ] - [ 0.0001574400000000, 0.0001893800000000, 0.0002209200000000 ] - [ -0.0000959900000000, 0.0000951900000000, -0.0000066700000000 ] - [ -0.0001521700000000, -0.0003346800000000, 0.0000298700000000 ] - [ -0.0002528200000000, -0.0003657100000000, -0.0001715200000000 ] - [ -0.0002951200000000, -0.0000443900000000, -0.0005988800000000 ] - [ -0.0226843400000000, -0.0362691300000000, 0.0061118500000000 ] - [ 0.0002201900000000, -0.0002337000000000, 0.0001866500000000 ] - [ 0.0007145900000000, 0.0002845800000000, -0.0006261800000000 ] - [ -0.0003167200000000, 0.0002734400000000, 0.0001152400000000 ] - [ 0.0002220700000000, 0.0002144900000000, -0.0002805100000000 ] - [ 0.0000638400000000, 0.0012357500000000, 0.0001729800000000 ] - [ 0.0000190400000000, -0.0001900900000000, 0.0000831600000000 ] - [ 0.0003649500000000, -0.0003773800000000, -0.0005052200000000 ] - [ -0.0001703900000000, 0.0005933700000000, 0.0000045700000000 ] - [ -0.0004518700000000, 0.0001917400000000, 0.0003554100000000 ] - [ 0.0007478500000000, -0.0004629800000000, 0.0012117700000000 ] - [ 0.0005964600000000, -0.0001350600000000, 0.0005273000000000 ] - [ -0.0000907200000000, -0.0003143500000000, -0.0002940500000000 ] - [ 0.0001498400000000, -0.0003029200000000, -0.0005534000000000 ] - [ 0.0004170400000000, 0.0004509400000000, -0.0005554800000000 ] - [ 0.0000729400000000, 0.0004133100000000, -0.0004814600000000 ]- atom: 33 displacement: [ 0.0052559485207597, 0.0000000000000000, -0.0085073500660972 ] forces: - [ -0.0007448900000000, 0.0007917600000000, -0.0006112000000000 ] - [ 0.0001933000000000, 0.0000501200000000, -0.0005051100000000 ] - [ 0.0002106800000000, -0.0004361600000000, -0.0009112200000000 ] - [ -0.0002033100000000, 0.0000112300000000, -0.0003457500000000 ] - [ 0.0009172400000000, -0.0000320300000000, 0.0000912600000000 ] - [ -0.0003695800000000, -0.0004733900000000, 0.0006651500000000 ] - [ -0.0034786300000000, -0.0012222200000000, -0.0016016500000000 ] - [ 0.0003047400000000, 0.0000273000000000, 0.0001406300000000 ] - [ -0.0001095300000000, 0.0002452100000000, -0.0000598100000000 ] - [ -0.0004422900000000, -0.0001097800000000, -0.0003290500000000 ] - [ 0.0002533600000000, 0.0000388200000000, 0.0001289100000000 ] - [ 0.0023028400000000, -0.0053422200000000, 0.0007089800000000 ] - [ 0.0024220900000000, 0.0026033300000000, -0.0013209400000000 ] - [ 0.0001324300000000, -0.0002658300000000, 0.0002889600000000 ] - [ 0.0005172000000000, 0.0024197800000000, -0.0042541700000000 ] - [ 0.0002634500000000, 0.0000461000000000, -0.0001319600000000 ] - [ -0.0001170000000000, 0.0000413500000000, -0.0002587200000000 ] - [ -0.0001101100000000, -0.0001353200000000, -0.0002033900000000 ] - [ -0.0000484000000000, 0.0001425200000000, -0.0002455400000000 ] - [ -0.0001862600000000, 0.0001404100000000, -0.0000957600000000 ] - [ 0.0002426800000000, 0.0002499500000000, 0.0001590200000000 ] - [ 0.0000409100000000, 0.0000884000000000, 0.0002501100000000 ] - [ 0.0025673400000000, 0.0021229500000000, 0.0009890900000000 ] - [ 0.0003074100000000, -0.0002605100000000, 0.0002411300000000 ] - [ 0.0015325000000000, -0.0084395300000000, -0.0051709500000000 ] - [ -0.0002085100000000, -0.0001509300000000, -0.0001377200000000 ] - [ 0.0005857400000000, 0.0004939500000000, -0.0003070200000000 ] - [ -0.0004715400000000, 0.0001299200000000, 0.0000476300000000 ] - [ 0.0004432100000000, 0.0001392600000000, -0.0000043100000000 ] - [ 0.0004441900000000, 0.0001634800000000, -0.0000326000000000 ] - [ 0.0002528700000000, -0.0001711800000000, 0.0001337600000000 ] - [ 0.0005450700000000, -0.0001505100000000, -0.0001095800000000 ] - [ -0.0290410800000000, -0.0223542900000000, 0.0213840700000000 ] - [ -0.0002232300000000, -0.0000150100000000, -0.0000745300000000 ] - [ -0.0002048800000000, 0.0001273800000000, -0.0001667900000000 ] - [ -0.0002897700000000, 0.0001224100000000, 0.0000162500000000 ] - [ 0.0003172900000000, 0.0000843400000000, 0.0000431200000000 ] - [ 0.0003440100000000, 0.0001478000000000, -0.0001473100000000 ] - [ 0.0002739100000000, 0.0001013300000000, 0.0001091300000000 ] - [ 0.0003130800000000, -0.0001253500000000, 0.0000397400000000 ] - [ 0.0000496200000000, 0.0005804400000000, -0.0007424100000000 ] - [ 0.0002332200000000, 0.0003860900000000, -0.0003403800000000 ] - [ 0.0014259700000000, -0.0006438700000000, -0.0001252000000000 ] - [ 0.0002644800000000, -0.0002596300000000, -0.0002261500000000 ] - [ -0.0002507700000000, -0.0003400800000000, 0.0004182300000000 ] - [ -0.0002984000000000, -0.0003226600000000, 0.0002509200000000 ] - [ -0.0002112800000000, 0.0003014900000000, 0.0003866400000000 ] - [ -0.0002276200000000, 0.0003988700000000, 0.0003650200000000 ] - [ 0.0000891000000000, -0.0002995100000000, -0.0000394100000000 ] - [ -0.0002928900000000, 0.0000552500000000, 0.0000950200000000 ] - [ -0.0004981500000000, -0.0001118100000000, 0.0000934000000000 ] - [ 0.0004564800000000, -0.0002935900000000, -0.0003967000000000 ] - [ 0.0000259300000000, -0.0000424200000000, 0.0001264400000000 ] - [ 0.0004137400000000, -0.0001019100000000, -0.0001294600000000 ] - [ 0.0028512900000000, -0.0051483800000000, -0.0065319200000000 ] - [ 0.0000134300000000, 0.0001178900000000, 0.0001013500000000 ] - [ -0.0001148400000000, 0.0023108000000000, 0.0013562600000000 ] - [ -0.0000937500000000, -0.0002402100000000, 0.0001584000000000 ] - [ -0.0012376100000000, 0.0003630500000000, 0.0022358600000000 ] - [ 0.0002476000000000, 0.0001608500000000, 0.0000232000000000 ] - [ -0.0003170500000000, 0.0002514600000000, -0.0002323200000000 ] - [ -0.0002410300000000, 0.0006947800000000, -0.0002793900000000 ] - [ -0.0001522200000000, 0.0000154700000000, -0.0000743400000000 ] - [ -0.0001173900000000, -0.0003054100000000, 0.0003535300000000 ] - [ 0.0209752000000000, 0.0328203300000000, -0.0055257700000000 ] - [ -0.0003286000000000, -0.0002150800000000, 0.0002105600000000 ] - [ -0.0008296600000000, 0.0001649100000000, 0.0010241800000000 ] - [ 0.0002085100000000, 0.0001743000000000, 0.0002807900000000 ] - [ -0.0001128000000000, 0.0002329700000000, -0.0001138000000000 ] - [ 0.0000413200000000, -0.0007865500000000, -0.0005566500000000 ] - [ 0.0000882200000000, -0.0002582000000000, -0.0004815600000000 ] - [ -0.0002565300000000, -0.0000729800000000, 0.0001061800000000 ] - [ -0.0000876400000000, 0.0000617300000000, 0.0010134100000000 ] - [ 0.0001794200000000, 0.0004664300000000, 0.0006589000000000 ] - [ -0.0010288600000000, -0.0001884400000000, -0.0001868000000000 ] - [ -0.0008661000000000, -0.0005189800000000, 0.0004804000000000 ] - [ 0.0003635000000000, -0.0003457500000000, -0.0007234700000000 ] - [ 0.0001125200000000, -0.0003551000000000, -0.0004623400000000 ] - [ -0.0001524400000000, 0.0002048100000000, -0.0004510700000000 ] - [ 0.0001975600000000, 0.0002437200000000, -0.0005313800000000 ]- atom: 41 displacement: [ 0.0099987479920404, 0.0000000000000000, -0.0001582358735165 ] forces: - [ -0.0005375000000000, -0.0000927500000000, -0.0007909700000000 ] - [ 0.0005549100000000, -0.0000230500000000, 0.0001133900000000 ] - [ -0.0012982700000000, -0.0021639900000000, -0.0017959900000000 ] - [ 0.0006037400000000, -0.0000323500000000, -0.0002352900000000 ] - [ -0.0016511700000000, 0.0005764800000000, -0.0008161000000000 ] - [ 0.0003943000000000, 0.0000139800000000, 0.0008529500000000 ] - [ 0.0046065500000000, 0.0032100100000000, -0.0083751200000000 ] - [ 0.0012743500000000, -0.0000478200000000, 0.0010179600000000 ] - [ 0.0025897000000000, -0.0018695300000000, 0.0004646900000000 ] - [ 0.0003896000000000, 0.0004002100000000, -0.0003821700000000 ] - [ 0.0001480300000000, -0.0000482900000000, 0.0000609400000000 ] - [ -0.0000778200000000, -0.0010046000000000, 0.0014882800000000 ] - [ 0.0003026600000000, 0.0018428400000000, 0.0013911000000000 ] - [ 0.0006541800000000, -0.0002109200000000, 0.0000575300000000 ] - [ 0.0004880800000000, -0.0000295200000000, -0.0006875900000000 ] - [ 0.0021588400000000, 0.0016335900000000, 0.0025947400000000 ] - [ -0.0005455900000000, -0.0006136000000000, -0.0005771000000000 ] - [ 0.0000423800000000, -0.0000685100000000, -0.0001612200000000 ] - [ -0.0003490400000000, 0.0001654900000000, -0.0004661600000000 ] - [ 0.0000456300000000, 0.0000743800000000, -0.0000701400000000 ] - [ -0.0019031600000000, 0.0036955100000000, -0.0008700500000000 ] - [ 0.0003381500000000, 0.0002366200000000, 0.0002761000000000 ] - [ -0.0000181700000000, 0.0000084600000000, -0.0000338000000000 ] - [ 0.0003962000000000, -0.0002543000000000, 0.0003495500000000 ] - [ -0.0004856100000000, -0.0001266300000000, 0.0001307300000000 ] - [ -0.0001978400000000, -0.0001324400000000, 0.0001813000000000 ] - [ 0.0059916900000000, -0.0024838500000000, 0.0027708100000000 ] - [ -0.0000730800000000, 0.0001547900000000, -0.0002589200000000 ] - [ 0.0002019800000000, 0.0001060000000000, 0.0001904100000000 ] - [ 0.0002389000000000, 0.0000731900000000, 0.0001598300000000 ] - [ 0.0005612900000000, -0.0001625500000000, -0.0000396900000000 ] - [ 0.0005710500000000, -0.0001808500000000, -0.0000731100000000 ] - [ -0.0005327600000000, -0.0001087000000000, 0.0000194300000000 ] - [ -0.0001994400000000, 0.0000218800000000, 0.0000192800000000 ] - [ 0.0011576300000000, 0.0011640400000000, -0.0005514500000000 ] - [ -0.0002115400000000, -0.0000892100000000, -0.0000247400000000 ] - [ 0.0001294500000000, 0.0000207700000000, -0.0000406800000000 ] - [ 0.0003027600000000, 0.0000260400000000, 0.0001212000000000 ] - [ 0.0003025600000000, -0.0002306800000000, 0.0000202000000000 ] - [ 0.0003735700000000, -0.0001139500000000, 0.0000823700000000 ] - [ -0.1567463400000000, 0.0999588800000000, -0.1250679700000000 ] - [ 0.0004079700000000, 0.0003190700000000, -0.0002245000000000 ] - [ -0.0000444700000000, -0.0003955800000000, -0.0004701000000000 ] - [ 0.0004576900000000, -0.0001937900000000, -0.0000461300000000 ] - [ -0.0006720000000000, -0.0003798300000000, -0.0000622800000000 ] - [ -0.0001210900000000, -0.0003841800000000, 0.0004349800000000 ] - [ -0.0004139600000000, 0.0003038800000000, 0.0001434100000000 ] - [ -0.0000963900000000, 0.0003649800000000, 0.0005826800000000 ] - [ -0.0005918200000000, 0.0009020400000000, 0.0007705000000000 ] - [ -0.0007989400000000, -0.0000429000000000, -0.0002168900000000 ] - [ 0.0005034400000000, -0.0003094700000000, 0.0001747700000000 ] - [ -0.0005236900000000, -0.0000671200000000, -0.0005583200000000 ] - [ 0.0017923700000000, -0.0011112600000000, 0.0010509200000000 ] - [ -0.0002686000000000, -0.0000503900000000, -0.0000480100000000 ] - [ 0.0010655600000000, -0.0001342000000000, 0.0005791000000000 ] - [ -0.0000762700000000, 0.0000682600000000, -0.0004897300000000 ] - [ 0.0009064000000000, -0.0002085000000000, 0.0004360300000000 ] - [ -0.0005206700000000, -0.0001363800000000, -0.0004612900000000 ] - [ 0.0040143700000000, 0.0039152400000000, -0.0078471300000000 ] - [ -0.0003892100000000, 0.0001552700000000, 0.0001444100000000 ] - [ 0.0000318600000000, 0.0003636200000000, -0.0001185800000000 ] - [ -0.0005625300000000, 0.0004082300000000, -0.0007185400000000 ] - [ 0.0000252700000000, -0.0014642600000000, 0.0002313400000000 ] - [ -0.0007004700000000, -0.0000600100000000, -0.0000773500000000 ] - [ 0.0004609500000000, -0.0003719300000000, -0.0002057800000000 ] - [ -0.0002772300000000, -0.0002174400000000, -0.0001525400000000 ] - [ -0.0029321300000000, 0.0002757700000000, 0.0010195500000000 ] - [ -0.0008548800000000, 0.0002843200000000, 0.0000424900000000 ] - [ 0.0001829800000000, 0.0007270900000000, -0.0006053300000000 ] - [ 0.0001033300000000, 0.0002735000000000, -0.0002206100000000 ] - [ -0.0003460200000000, -0.0003249100000000, -0.0001164000000000 ] - [ -0.0003886400000000, 0.0000954600000000, -0.0001863000000000 ] - [ 0.1414193300000000, -0.1054075800000000, 0.1363753100000000 ] - [ -0.0006377600000000, 0.0002214400000000, 0.0004650100000000 ] - [ -0.0002334700000000, -0.0003832700000000, 0.0010367900000000 ] - [ -0.0007675700000000, -0.0005157000000000, -0.0001245900000000 ] - [ 0.0011791800000000, 0.0000411600000000, -0.0001223200000000 ] - [ -0.0002764500000000, -0.0003408900000000, -0.0006808500000000 ] - [ 0.0003106700000000, 0.0003271600000000, 0.0000086800000000 ] - [ -0.0003579600000000, 0.0001580300000000, -0.0007869000000000 ]- atom: 41 displacement: [ -0.0099987479920404, 0.0000000000000000, 0.0001582358735165 ] forces: - [ 0.0004929600000000, 0.0001471700000000, -0.0000650300000000 ] - [ -0.0005916800000000, 0.0000763300000000, -0.0009638000000000 ] - [ 0.0012383800000000, 0.0021138900000000, 0.0009161000000000 ] - [ -0.0006405200000000, -0.0000292800000000, -0.0006259300000000 ] - [ 0.0016410200000000, -0.0006549300000000, 0.0017402500000000 ] - [ -0.0003452600000000, -0.0000669700000000, 0.0000068900000000 ] - [ -0.0046218500000000, -0.0031913600000000, 0.0093445700000000 ] - [ -0.0012263400000000, 0.0001035300000000, -0.0001519000000000 ] - [ -0.0028465700000000, 0.0021543100000000, -0.0004679800000000 ] - [ -0.0006611300000000, -0.0001132200000000, 0.0003965000000000 ] - [ -0.0004205900000000, -0.0002373900000000, -0.0000383000000000 ] - [ -0.0001796700000000, 0.0007113900000000, -0.0014614900000000 ] - [ -0.0000397300000000, -0.0021119600000000, -0.0014122500000000 ] - [ -0.0003921800000000, -0.0000690300000000, -0.0000688900000000 ] - [ -0.0002198500000000, 0.0003094000000000, 0.0006711900000000 ] - [ -0.0018693100000000, -0.0013401300000000, -0.0026295900000000 ] - [ 0.0002493700000000, 0.0003230300000000, 0.0001519800000000 ] - [ -0.0003389000000000, -0.0002217200000000, -0.0002608700000000 ] - [ 0.0000475700000000, 0.0001255000000000, 0.0000415400000000 ] - [ -0.0003389100000000, 0.0002136400000000, -0.0003518800000000 ] - [ 0.0021512400000000, -0.0034682500000000, 0.0013167600000000 ] - [ -0.0000396300000000, 0.0000548400000000, 0.0001472800000000 ] - [ 0.0003132000000000, -0.0002984000000000, 0.0004587000000000 ] - [ -0.0000965200000000, -0.0000367300000000, 0.0000740000000000 ] - [ -0.0002022300000000, -0.0001384000000000, -0.0002363500000000 ] - [ -0.0004888700000000, -0.0001333200000000, -0.0002812800000000 ] - [ -0.0065851300000000, 0.0026975700000000, -0.0028317200000000 ] - [ -0.0006163800000000, 0.0001106800000000, 0.0001529700000000 ] - [ 0.0004816900000000, 0.0001594500000000, -0.0000793800000000 ] - [ 0.0004475100000000, 0.0001919700000000, -0.0000512000000000 ] - [ 0.0001259900000000, -0.0001077400000000, 0.0001433800000000 ] - [ 0.0001163800000000, -0.0000853000000000, 0.0001804600000000 ] - [ -0.0000394100000000, 0.0000090700000000, -0.0001445000000000 ] - [ -0.0003716000000000, -0.0001205700000000, -0.0001454500000000 ] - [ -0.0017172000000000, -0.0010446600000000, 0.0004140300000000 ] - [ -0.0003601200000000, 0.0001947400000000, -0.0001037800000000 ] - [ 0.0004428500000000, 0.0000831800000000, 0.0001676200000000 ] - [ 0.0002696200000000, 0.0000746800000000, 0.0000069100000000 ] - [ 0.0002692800000000, 0.0001313200000000, 0.0001062300000000 ] - [ 0.0001982800000000, 0.0000122800000000, 0.0000451900000000 ] - [ 0.1589646400000000, -0.1043625800000000, 0.1310950400000000 ] - [ 0.0001073600000000, 0.0003817800000000, -0.0004269700000000 ] - [ 0.0005619400000000, -0.0003027600000000, -0.0001787100000000 ] - [ 0.0000610500000000, -0.0005035400000000, -0.0006002000000000 ] - [ 0.0001548500000000, -0.0003214800000000, 0.0007096800000000 ] - [ -0.0003936700000000, -0.0003167700000000, 0.0002171200000000 ] - [ -0.0001030800000000, 0.0003973200000000, 0.0005085300000000 ] - [ -0.0004177400000000, 0.0003358000000000, 0.0000711000000000 ] - [ 0.0000359700000000, -0.0008301500000000, -0.0009083900000000 ] - [ 0.0002373000000000, 0.0001251800000000, 0.0000734200000000 ] - [ -0.0010562300000000, 0.0002148700000000, -0.0003341400000000 ] - [ -0.0000403400000000, -0.0000151800000000, 0.0004126200000000 ] - [ -0.0011864600000000, 0.0010631200000000, -0.0009105300000000 ] - [ 0.0008199700000000, -0.0000379700000000, 0.0001921100000000 ] - [ -0.0005053900000000, 0.0002217500000000, -0.0004481000000000 ] - [ 0.0006323200000000, 0.0000159300000000, 0.0006277200000000 ] - [ -0.0004942400000000, -0.0001434200000000, -0.0001949500000000 ] - [ 0.0009102600000000, -0.0002135000000000, 0.0006884300000000 ] - [ -0.0035342700000000, -0.0035171300000000, 0.0080191600000000 ] - [ 0.0007984500000000, 0.0001950800000000, 0.0000974100000000 ] - [ -0.0004335200000000, -0.0000122300000000, -0.0001322400000000 ] - [ 0.0001499500000000, -0.0000544800000000, 0.0004688800000000 ] - [ -0.0004354900000000, 0.0011328600000000, -0.0004601400000000 ] - [ 0.0002905700000000, -0.0002873900000000, -0.0001672900000000 ] - [ -0.0005704200000000, -0.0000802800000000, 0.0005955100000000 ] - [ 0.0001686600000000, -0.0002316900000000, 0.0005396600000000 ] - [ 0.0028014500000000, 0.0001710300000000, -0.0006104900000000 ] - [ 0.0007607600000000, 0.0001636000000000, 0.0003636300000000 ] - [ -0.0000714400000000, -0.0002766800000000, 0.0002035500000000 ] - [ 0.0000050100000000, 0.0001754100000000, -0.0001774000000000 ] - [ 0.0004585300000000, -0.0001167600000000, -0.0002759200000000 ] - [ 0.0004962500000000, -0.0005387700000000, -0.0002067900000000 ] - [ -0.1434567600000000, 0.1112097600000000, -0.1421288700000000 ] - [ 0.0003694500000000, 0.0004324500000000, 0.0005504600000000 ] - [ -0.0000218700000000, -0.0002789100000000, -0.0000370700000000 ] - [ 0.0004945900000000, -0.0001466000000000, 0.0011327800000000 ] - [ -0.0009111500000000, -0.0006932600000000, -0.0008842800000000 ] - [ 0.0005419700000000, -0.0003161700000000, -0.0003362500000000 ] - [ -0.0000381000000000, 0.0003300800000000, -0.0010240100000000 ] - [ 0.0006131200000000, 0.0005030700000000, -0.0002350200000000 ]- atom: 41 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0002386800000000, 0.0002029500000000, -0.0004392800000000 ] - [ -0.0002432800000000, 0.0001693900000000, -0.0006313100000000 ] - [ -0.0020710900000000, 0.0051682200000000, 0.0007558000000000 ] - [ 0.0000029500000000, -0.0000810800000000, -0.0004501200000000 ] - [ 0.0008848800000000, -0.0002009200000000, -0.0016413800000000 ] - [ -0.0002262000000000, -0.0000962400000000, 0.0002069000000000 ] - [ 0.0037004700000000, -0.0025285800000000, -0.0015079000000000 ] - [ -0.0006574900000000, -0.0000605100000000, 0.0003704500000000 ] - [ -0.0025634300000000, 0.0035885700000000, -0.0001659300000000 ] - [ 0.0007000600000000, 0.0002105400000000, -0.0001298400000000 ] - [ -0.0000461800000000, -0.0001724500000000, -0.0000311400000000 ] - [ -0.0004911800000000, 0.0009210200000000, -0.0014116800000000 ] - [ 0.0010244000000000, -0.0012977400000000, 0.0019589400000000 ] - [ 0.0000770000000000, -0.0001306700000000, -0.0001182500000000 ] - [ 0.0001137700000000, 0.0001354200000000, 0.0000310300000000 ] - [ 0.0009810600000000, -0.0010083500000000, 0.0012215200000000 ] - [ -0.0001033200000000, 0.0003530500000000, 0.0001425200000000 ] - [ -0.0001718000000000, -0.0001188000000000, -0.0002402100000000 ] - [ -0.0002392700000000, 0.0002200800000000, -0.0001735000000000 ] - [ -0.0002404400000000, 0.0001768900000000, -0.0002817300000000 ] - [ 0.0047281700000000, 0.0086571600000000, -0.0023578400000000 ] - [ 0.0001462800000000, 0.0001083400000000, 0.0002164300000000 ] - [ 0.0002384900000000, -0.0002162000000000, 0.0002383900000000 ] - [ -0.0000091600000000, -0.0000874600000000, 0.0001431800000000 ] - [ -0.0001594900000000, -0.0001341200000000, -0.0002495900000000 ] - [ -0.0004383200000000, -0.0000826500000000, -0.0003688700000000 ] - [ -0.0040231000000000, -0.0007871200000000, -0.0000113500000000 ] - [ -0.0004365400000000, 0.0001195100000000, 0.0000728600000000 ] - [ 0.0003106500000000, 0.0002021200000000, 0.0000381600000000 ] - [ 0.0004140300000000, 0.0001680900000000, -0.0000441200000000 ] - [ 0.0006522900000000, -0.0002950900000000, -0.0002564700000000 ] - [ 0.0001920200000000, -0.0001106300000000, 0.0001796100000000 ] - [ -0.0001347800000000, -0.0000783600000000, -0.0002383500000000 ] - [ -0.0003129800000000, -0.0001547300000000, -0.0001234200000000 ] - [ 0.0005548200000000, -0.0011637900000000, 0.0001144900000000 ] - [ -0.0004528500000000, 0.0001036800000000, -0.0000625100000000 ] - [ 0.0003488000000000, 0.0001544600000000, 0.0000897300000000 ] - [ 0.0002917100000000, 0.0001019300000000, 0.0000353800000000 ] - [ 0.0002554600000000, 0.0001815800000000, -0.0000128400000000 ] - [ 0.0002853100000000, 0.0000901300000000, 0.0001209100000000 ] - [ 0.1060834600000000, -0.1129916600000000, 0.1155845000000000 ] - [ 0.0002271400000000, 0.0003654800000000, -0.0003254200000000 ] - [ 0.0003021500000000, -0.0004211800000000, -0.0003808100000000 ] - [ 0.0001011000000000, -0.0005478000000000, -0.0005440200000000 ] - [ -0.0002916500000000, 0.0000068800000000, 0.0001936300000000 ] - [ -0.0002911200000000, -0.0003347900000000, 0.0003089300000000 ] - [ -0.0002126800000000, 0.0004429500000000, 0.0002933000000000 ] - [ -0.0002737500000000, 0.0004049000000000, 0.0001694300000000 ] - [ 0.0001714600000000, -0.0003835200000000, -0.0006236500000000 ] - [ -0.0002306200000000, -0.0000113000000000, -0.0001954800000000 ] - [ -0.0004149100000000, 0.0000484700000000, -0.0008142300000000 ] - [ -0.0002158600000000, -0.0000123200000000, 0.0002498600000000 ] - [ -0.0032101400000000, -0.0032487400000000, 0.0005279100000000 ] - [ 0.0002374600000000, -0.0001287700000000, 0.0001196800000000 ] - [ -0.0000846700000000, 0.0000155900000000, 0.0002252800000000 ] - [ 0.0004251600000000, 0.0000532800000000, 0.0003133100000000 ] - [ -0.0002944000000000, -0.0000339600000000, 0.0003682200000000 ] - [ 0.0010655400000000, -0.0003419400000000, 0.0008449000000000 ] - [ 0.0039632900000000, 0.0043516900000000, 0.0081489400000000 ] - [ 0.0003685900000000, 0.0002352100000000, 0.0000409600000000 ] - [ -0.0002547900000000, -0.0000981300000000, -0.0000056800000000 ] - [ 0.0000161800000000, -0.0002018600000000, 0.0001599600000000 ] - [ -0.0014201100000000, -0.0012942600000000, -0.0002121900000000 ] - [ -0.0000690200000000, -0.0003200900000000, -0.0002277400000000 ] - [ -0.0003124700000000, 0.0000732900000000, 0.0005986000000000 ] - [ 0.0000883000000000, -0.0002066400000000, 0.0005942000000000 ] - [ 0.0011857200000000, 0.0013007000000000, -0.0010551100000000 ] - [ 0.0003984500000000, 0.0005246200000000, -0.0001907200000000 ] - [ 0.0001217200000000, 0.0000563600000000, -0.0002688700000000 ] - [ -0.0000689800000000, 0.0001114300000000, -0.0000140700000000 ] - [ -0.0001830100000000, -0.0003898600000000, 0.0000762300000000 ] - [ 0.0004509700000000, -0.0006425400000000, -0.0003024000000000 ] - [ -0.1111287600000000, 0.1019038900000000, -0.1185468800000000 ] - [ -0.0001292500000000, 0.0004686900000000, 0.0004806700000000 ] - [ -0.0004017700000000, -0.0000874400000000, 0.0008124500000000 ] - [ 0.0004282900000000, 0.0000687800000000, 0.0009901300000000 ] - [ -0.0001239900000000, -0.0012536100000000, -0.0008118000000000 ] - [ 0.0001679200000000, -0.0003845600000000, -0.0004582400000000 ] - [ 0.0001604100000000, -0.0000444600000000, -0.0005683300000000 ] - [ 0.0005282700000000, 0.0007195600000000, -0.0005440900000000 ]- atom: 41 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0002861600000000, -0.0001475500000000, -0.0004175200000000 ] - [ 0.0002095800000000, -0.0001159500000000, -0.0002194000000000 ] - [ 0.0020453500000000, -0.0052411000000000, -0.0016391200000000 ] - [ -0.0000358200000000, 0.0000240800000000, -0.0004077100000000 ] - [ -0.0008741500000000, 0.0001174700000000, 0.0025218900000000 ] - [ 0.0002730900000000, 0.0000404000000000, 0.0006575400000000 ] - [ -0.0036465300000000, 0.0026162600000000, 0.0023202900000000 ] - [ 0.0007071600000000, 0.0001157800000000, 0.0004880800000000 ] - [ 0.0022802000000000, -0.0033093400000000, 0.0001640400000000 ] - [ -0.0009536800000000, 0.0000721200000000, 0.0001377500000000 ] - [ -0.0002194500000000, -0.0001090500000000, 0.0000479900000000 ] - [ 0.0002274800000000, -0.0012142500000000, 0.0014453700000000 ] - [ -0.0007400400000000, 0.0010266800000000, -0.0019450000000000 ] - [ 0.0001913200000000, -0.0001542000000000, 0.0001058900000000 ] - [ 0.0001521100000000, 0.0001492600000000, -0.0000458100000000 ] - [ -0.0006815900000000, 0.0013323300000000, -0.0012016900000000 ] - [ -0.0002012300000000, -0.0006423600000000, -0.0005621200000000 ] - [ -0.0001231000000000, -0.0001700500000000, -0.0001815600000000 ] - [ -0.0000611900000000, 0.0000723600000000, -0.0002510400000000 ] - [ -0.0000546500000000, 0.0001125700000000, -0.0001397500000000 ] - [ -0.0043105200000000, -0.0082552300000000, 0.0027289400000000 ] - [ 0.0001533200000000, 0.0001826800000000, 0.0002065400000000 ] - [ 0.0000568700000000, -0.0000724700000000, 0.0001816900000000 ] - [ 0.0003101100000000, -0.0002040700000000, 0.0002801000000000 ] - [ -0.0005291100000000, -0.0001308200000000, 0.0001444800000000 ] - [ -0.0002470200000000, -0.0001821300000000, 0.0002668000000000 ] - [ 0.0033425900000000, 0.0010881800000000, -0.0001285100000000 ] - [ -0.0002469400000000, 0.0001462700000000, -0.0001834200000000 ] - [ 0.0003744000000000, 0.0000629100000000, 0.0000713200000000 ] - [ 0.0002710700000000, 0.0000971100000000, 0.0001535500000000 ] - [ 0.0000311800000000, 0.0000313300000000, 0.0003664800000000 ] - [ 0.0004973500000000, -0.0001542300000000, -0.0000737600000000 ] - [ -0.0004396700000000, -0.0000235800000000, 0.0001114900000000 ] - [ -0.0002573800000000, 0.0000566600000000, -0.0000035900000000 ] - [ -0.0011352000000000, 0.0012408700000000, -0.0002454000000000 ] - [ -0.0001165500000000, -0.0000039000000000, -0.0000656100000000 ] - [ 0.0002225700000000, -0.0000507500000000, 0.0000355200000000 ] - [ 0.0002803100000000, -0.0000002900000000, 0.0000930500000000 ] - [ 0.0003143900000000, -0.0002812100000000, 0.0001394500000000 ] - [ 0.0002882200000000, -0.0001908700000000, 0.0000077500000000 ] - [ -0.1018210100000000, 0.1142527900000000, -0.1119813700000000 ] - [ 0.0002899000000000, 0.0003349000000000, -0.0003249500000000 ] - [ 0.0002111900000000, -0.0002787200000000, -0.0002702800000000 ] - [ 0.0004178900000000, -0.0001488100000000, -0.0001023400000000 ] - [ -0.0002292100000000, -0.0007046300000000, 0.0004543300000000 ] - [ -0.0002231800000000, -0.0003654500000000, 0.0003431000000000 ] - [ -0.0003051500000000, 0.0002574300000000, 0.0003553000000000 ] - [ -0.0002396500000000, 0.0002970600000000, 0.0004838600000000 ] - [ -0.0007204500000000, 0.0004702900000000, 0.0004850300000000 ] - [ -0.0003383800000000, 0.0000946300000000, 0.0000509300000000 ] - [ -0.0001424900000000, -0.0001451300000000, 0.0006638900000000 ] - [ -0.0003466400000000, -0.0000713100000000, -0.0003960400000000 ] - [ 0.0037209800000000, 0.0031523300000000, -0.0003630600000000 ] - [ 0.0003142100000000, 0.0000442300000000, 0.0000221500000000 ] - [ 0.0006519900000000, 0.0000655700000000, -0.0000802400000000 ] - [ 0.0001285200000000, 0.0000303900000000, -0.0001735400000000 ] - [ 0.0007119800000000, -0.0003134600000000, -0.0001226700000000 ] - [ -0.0006722700000000, -0.0000087300000000, -0.0006158100000000 ] - [ -0.0036017900000000, -0.0040904200000000, -0.0079921600000000 ] - [ 0.0000345700000000, 0.0001148500000000, 0.0002033900000000 ] - [ -0.0001488700000000, 0.0004518600000000, -0.0002403100000000 ] - [ -0.0004294400000000, 0.0005522100000000, -0.0004133300000000 ] - [ 0.0010294100000000, 0.0009421700000000, -0.0000249600000000 ] - [ -0.0003446400000000, -0.0000317000000000, -0.0000151800000000 ] - [ 0.0002101700000000, -0.0005213300000000, -0.0002110700000000 ] - [ -0.0001988400000000, -0.0002424900000000, -0.0002048000000000 ] - [ -0.0012885800000000, -0.0008472300000000, 0.0014700500000000 ] - [ -0.0005151300000000, -0.0000800600000000, 0.0005863400000000 ] - [ -0.0000093900000000, 0.0003971500000000, -0.0001282700000000 ] - [ 0.0001764600000000, 0.0003355500000000, -0.0003819200000000 ] - [ 0.0002935900000000, -0.0000603800000000, -0.0004723200000000 ] - [ -0.0003488200000000, 0.0001935100000000, -0.0000939400000000 ] - [ 0.1070399900000000, -0.1018559000000000, 0.1154546500000000 ] - [ -0.0001412900000000, 0.0001896700000000, 0.0005328800000000 ] - [ 0.0001345100000000, -0.0005706500000000, 0.0002045400000000 ] - [ -0.0007047300000000, -0.0007285000000000, 0.0000152300000000 ] - [ 0.0004004500000000, 0.0005898200000000, -0.0002069000000000 ] - [ 0.0000939800000000, -0.0002735900000000, -0.0005580500000000 ] - [ 0.0001076200000000, 0.0006967300000000, -0.0004388200000000 ] - [ -0.0002661600000000, -0.0000565800000000, -0.0004783000000000 ]- atom: 41 displacement: [ -0.0052559485207597, 0.0000000000000000, 0.0085073500660972 ] forces: - [ -0.0004326800000000, 0.0000079000000000, 0.0000371800000000 ] - [ 0.0003066200000000, 0.0000942700000000, -0.0001238200000000 ] - [ -0.0001698300000000, 0.0006855400000000, -0.0029006300000000 ] - [ 0.0000925100000000, -0.0001710700000000, -0.0005475900000000 ] - [ -0.0011235000000000, -0.0022631000000000, 0.0057982600000000 ] - [ 0.0002734800000000, 0.0000691100000000, 0.0008652700000000 ] - [ -0.0103414500000000, -0.0033655600000000, 0.0071565100000000 ] - [ 0.0004515700000000, 0.0001029700000000, 0.0000838600000000 ] - [ -0.0010357000000000, 0.0008550600000000, 0.0000324800000000 ] - [ -0.0008057000000000, -0.0000299100000000, 0.0001659500000000 ] - [ -0.0004190400000000, -0.0002385300000000, 0.0005563400000000 ] - [ 0.0004366900000000, -0.0010365600000000, 0.0015348200000000 ] - [ 0.0016037800000000, 0.0017522500000000, 0.0001794900000000 ] - [ -0.0002436600000000, -0.0000610300000000, 0.0000900700000000 ] - [ -0.0003442300000000, 0.0002049800000000, 0.0005177700000000 ] - [ 0.0017134400000000, 0.0008642300000000, 0.0005930000000000 ] - [ -0.0002451600000000, 0.0001113600000000, -0.0002330200000000 ] - [ -0.0001254300000000, -0.0001296700000000, -0.0001592700000000 ] - [ -0.0004979700000000, 0.0003346100000000, -0.0002805300000000 ] - [ 0.0000986300000000, 0.0000263300000000, -0.0001465500000000 ] - [ -0.0008642800000000, -0.0047029600000000, -0.0010542300000000 ] - [ 0.0001462300000000, 0.0001644800000000, 0.0002736200000000 ] - [ 0.0000102600000000, -0.0001148300000000, 0.0003318500000000 ] - [ 0.0003625600000000, -0.0002548400000000, 0.0002577800000000 ] - [ -0.0006448700000000, -0.0000945100000000, 0.0001755600000000 ] - [ -0.0003922800000000, -0.0001440500000000, -0.0001280700000000 ] - [ 0.0007949200000000, 0.0009107200000000, -0.0039494000000000 ] - [ -0.0003677300000000, 0.0001450300000000, -0.0001372600000000 ] - [ 0.0002784400000000, 0.0001398600000000, 0.0001894400000000 ] - [ 0.0002607400000000, 0.0000944500000000, 0.0001804400000000 ] - [ 0.0003382300000000, -0.0003256100000000, -0.0001586100000000 ] - [ 0.0004772900000000, -0.0000946900000000, -0.0001137400000000 ] - [ -0.0003746500000000, -0.0000725400000000, 0.0001680700000000 ] - [ -0.0002706700000000, -0.0000387800000000, -0.0000547500000000 ] - [ -0.0018155200000000, -0.0002804200000000, -0.0004950600000000 ] - [ -0.0001273000000000, 0.0001623300000000, -0.0000607800000000 ] - [ 0.0004227700000000, 0.0003627600000000, 0.0000610500000000 ] - [ 0.0002859000000000, 0.0000210100000000, 0.0001133000000000 ] - [ 0.0002727400000000, 0.0001185400000000, 0.0000212200000000 ] - [ 0.0002927600000000, -0.0001348400000000, 0.0000471300000000 ] - [ -0.0265814900000000, 0.0428892700000000, -0.0699385300000000 ] - [ 0.0002647300000000, 0.0003665700000000, -0.0003460000000000 ] - [ 0.0002967300000000, -0.0002788900000000, -0.0002025900000000 ] - [ 0.0003927900000000, -0.0002442000000000, -0.0001765900000000 ] - [ -0.0003743900000000, -0.0004436500000000, 0.0000660000000000 ] - [ -0.0002367800000000, -0.0003469800000000, 0.0003067500000000 ] - [ -0.0003299600000000, 0.0004008000000000, 0.0004080900000000 ] - [ -0.0001213300000000, 0.0004748100000000, 0.0005242400000000 ] - [ 0.0003412800000000, -0.0006917700000000, 0.0001164400000000 ] - [ -0.0005346700000000, 0.0000987000000000, 0.0000914100000000 ] - [ -0.0000332700000000, -0.0011985500000000, -0.0014875900000000 ] - [ -0.0004173700000000, -0.0000293400000000, -0.0004985000000000 ] - [ 0.0020174400000000, 0.0022300100000000, 0.0009844000000000 ] - [ -0.0000441300000000, -0.0001685300000000, 0.0001411300000000 ] - [ 0.0005321100000000, 0.0002330200000000, -0.0006142000000000 ] - [ 0.0000542400000000, 0.0000898100000000, -0.0001269600000000 ] - [ 0.0005374200000000, -0.0002305600000000, -0.0003702800000000 ] - [ 0.0000777800000000, -0.0002455800000000, -0.0003180700000000 ] - [ -0.0076974200000000, 0.0044841500000000, -0.0017410500000000 ] - [ 0.0002213300000000, 0.0002085000000000, 0.0001605600000000 ] - [ 0.0001109300000000, 0.0003390500000000, -0.0005666200000000 ] - [ -0.0005236000000000, 0.0003230000000000, -0.0006354800000000 ] - [ 0.0000058800000000, 0.0007525000000000, 0.0010670400000000 ] - [ -0.0002624700000000, -0.0001604400000000, 0.0000084500000000 ] - [ 0.0000682900000000, -0.0004357300000000, -0.0005605400000000 ] - [ -0.0002011300000000, -0.0002226800000000, -0.0000041400000000 ] - [ 0.0008571500000000, -0.0003382200000000, 0.0025997400000000 ] - [ -0.0001480900000000, -0.0001199200000000, 0.0009705000000000 ] - [ -0.0000591600000000, -0.0000421100000000, -0.0004774400000000 ] - [ 0.0001476800000000, 0.0002802300000000, -0.0004823900000000 ] - [ 0.0003938600000000, 0.0000623200000000, -0.0000318200000000 ] - [ -0.0003044300000000, 0.0001423400000000, 0.0001751400000000 ] - [ 0.0431882400000000, -0.0413093400000000, 0.0642871200000000 ] - [ -0.0000332400000000, 0.0002427400000000, 0.0004510200000000 ] - [ 0.0005239100000000, -0.0005180800000000, -0.0003286200000000 ] - [ -0.0007951500000000, -0.0005154600000000, 0.0000975700000000 ] - [ 0.0002864000000000, -0.0002207900000000, -0.0001947100000000 ] - [ 0.0001320100000000, -0.0003826000000000, -0.0005324000000000 ] - [ 0.0005042300000000, 0.0002224800000000, -0.0006079900000000 ] - [ -0.0005342400000000, 0.0006288200000000, -0.0011002700000000 ]- atom: 41 displacement: [ 0.0052559485207597, 0.0000000000000000, -0.0085073500660972 ] forces: - [ 0.0003952400000000, 0.0000495000000000, -0.0008983000000000 ] - [ -0.0003489000000000, -0.0000403500000000, -0.0007288700000000 ] - [ 0.0001062900000000, -0.0007405000000000, 0.0020476800000000 ] - [ -0.0001271600000000, 0.0001118700000000, -0.0003140900000000 ] - [ 0.0011561800000000, 0.0022456900000000, -0.0049878200000000 ] - [ -0.0002252400000000, -0.0001235000000000, -0.0000065600000000 ] - [ 0.0102084000000000, 0.0033223500000000, -0.0061633900000000 ] - [ -0.0004059300000000, -0.0000474400000000, 0.0007807800000000 ] - [ 0.0007846600000000, -0.0005790900000000, -0.0000294200000000 ] - [ 0.0005398500000000, 0.0003162900000000, -0.0001498200000000 ] - [ 0.0001486900000000, -0.0000463900000000, -0.0005457100000000 ] - [ -0.0007024500000000, 0.0007500800000000, -0.0015137500000000 ] - [ -0.0013408400000000, -0.0020323500000000, -0.0002049000000000 ] - [ 0.0005087100000000, -0.0002206600000000, -0.0001083600000000 ] - [ 0.0006182600000000, 0.0000748000000000, -0.0005350900000000 ] - [ -0.0014394900000000, -0.0005655600000000, -0.0005844600000000 ] - [ -0.0000512500000000, -0.0003991100000000, -0.0001903900000000 ] - [ -0.0001712700000000, -0.0001605300000000, -0.0002631400000000 ] - [ 0.0002048900000000, -0.0000465600000000, -0.0001418900000000 ] - [ -0.0003938500000000, 0.0002627600000000, -0.0002759200000000 ] - [ 0.0011229700000000, 0.0049745900000000, 0.0015327600000000 ] - [ 0.0001526300000000, 0.0001265500000000, 0.0001493400000000 ] - [ 0.0002878700000000, -0.0001762300000000, 0.0000905400000000 ] - [ -0.0000643000000000, -0.0000355600000000, 0.0001659200000000 ] - [ -0.0000395500000000, -0.0001712100000000, -0.0002856500000000 ] - [ -0.0002972200000000, -0.0001215800000000, 0.0000296100000000 ] - [ -0.0015592900000000, -0.0006026400000000, 0.0037855400000000 ] - [ -0.0003178500000000, 0.0001205100000000, 0.0000285200000000 ] - [ 0.0004035300000000, 0.0001266800000000, -0.0000789800000000 ] - [ 0.0004266100000000, 0.0001712500000000, -0.0000730000000000 ] - [ 0.0003530100000000, 0.0000563300000000, 0.0002603100000000 ] - [ 0.0002094500000000, -0.0001713500000000, 0.0002217500000000 ] - [ -0.0001965300000000, -0.0000285200000000, -0.0002955900000000 ] - [ -0.0003013300000000, -0.0000617800000000, -0.0000718000000000 ] - [ 0.0012502200000000, 0.0003957500000000, 0.0003761000000000 ] - [ -0.0004445600000000, -0.0000601400000000, -0.0000677600000000 ] - [ 0.0001457400000000, -0.0002665200000000, 0.0000669400000000 ] - [ 0.0002866800000000, 0.0000802400000000, 0.0000142800000000 ] - [ 0.0002995100000000, -0.0002172000000000, 0.0001047600000000 ] - [ 0.0002789900000000, 0.0000334900000000, 0.0000807300000000 ] - [ 0.0274509900000000, -0.0414046200000000, 0.0666410900000000 ] - [ 0.0002510000000000, 0.0003341000000000, -0.0003057800000000 ] - [ 0.0002219600000000, -0.0004207800000000, -0.0004487700000000 ] - [ 0.0001251200000000, -0.0004535500000000, -0.0004708300000000 ] - [ -0.0001439600000000, -0.0002547700000000, 0.0005803100000000 ] - [ -0.0002782000000000, -0.0003536700000000, 0.0003450000000000 ] - [ -0.0001852400000000, 0.0002995800000000, 0.0002439000000000 ] - [ -0.0003938400000000, 0.0002253400000000, 0.0001279100000000 ] - [ -0.0008968800000000, 0.0007666900000000, -0.0002559700000000 ] - [ -0.0000254500000000, -0.0000160600000000, -0.0002352000000000 ] - [ -0.0005212900000000, 0.0011333800000000, 0.0013527900000000 ] - [ -0.0001461300000000, -0.0000532100000000, 0.0003565200000000 ] - [ -0.0014310600000000, -0.0023116100000000, -0.0008640400000000 ] - [ 0.0005962900000000, 0.0000821300000000, 0.0000032800000000 ] - [ 0.0000254800000000, -0.0001483700000000, 0.0007559500000000 ] - [ 0.0005063200000000, -0.0000053100000000, 0.0002633100000000 ] - [ -0.0001373600000000, -0.0001198500000000, 0.0006167200000000 ] - [ 0.0003161100000000, -0.0001018700000000, 0.0005448800000000 ] - [ 0.0080139800000000, -0.0041353900000000, 0.0021226400000000 ] - [ 0.0001854700000000, 0.0001412600000000, 0.0000854800000000 ] - [ -0.0005161600000000, 0.0000034800000000, 0.0003251800000000 ] - [ 0.0001143500000000, 0.0000264100000000, 0.0003892500000000 ] - [ -0.0004200300000000, -0.0011075400000000, -0.0012984800000000 ] - [ -0.0001479100000000, -0.0001880900000000, -0.0002531900000000 ] - [ -0.0001807500000000, -0.0000127600000000, 0.0009560000000000 ] - [ 0.0001004600000000, -0.0002261200000000, 0.0003985300000000 ] - [ -0.0009890300000000, 0.0007824400000000, -0.0022125300000000 ] - [ 0.0000431500000000, 0.0005694500000000, -0.0005690400000000 ] - [ 0.0001772100000000, 0.0004956400000000, 0.0000738400000000 ] - [ -0.0000416400000000, 0.0001675400000000, 0.0000864300000000 ] - [ -0.0002875900000000, -0.0005076800000000, -0.0003577300000000 ] - [ 0.0004129700000000, -0.0005869100000000, -0.0005719300000000 ] - [ -0.0434293700000000, 0.0411941900000000, -0.0608469700000000 ] - [ -0.0002360700000000, 0.0004121300000000, 0.0005644900000000 ] - [ -0.0007933200000000, -0.0001374900000000, 0.0013461000000000 ] - [ 0.0005271100000000, -0.0001447800000000, 0.0009122200000000 ] - [ -0.0000179400000000, -0.0004378300000000, -0.0008129000000000 ] - [ 0.0001341300000000, -0.0002742200000000, -0.0004827900000000 ] - [ -0.0002395100000000, 0.0004371700000000, -0.0004091000000000 ] - [ 0.0007952700000000, 0.0000275500000000, 0.0000825500000000 ]- atom: 49 displacement: [ 0.0099987479920404, 0.0000000000000000, -0.0001582358735165 ] forces: - [ 0.0060288800000000, -0.0002871400000000, -0.0032052600000000 ] - [ -0.0019388800000000, 0.0002424900000000, 0.0001591200000000 ] - [ -0.0014724300000000, -0.0008691300000000, 0.0029098300000000 ] - [ -0.0012319900000000, 0.0007345400000000, -0.0028974500000000 ] - [ 0.0002528500000000, -0.0003010300000000, 0.0031759700000000 ] - [ -0.0009267400000000, -0.0001988200000000, -0.0019164000000000 ] - [ 0.0075363500000000, 0.0001939000000000, 0.0003438800000000 ] - [ -0.0025164700000000, -0.0001391400000000, 0.0003548000000000 ] - [ 0.0051734700000000, 0.0001340700000000, 0.0006362700000000 ] - [ -0.0014258200000000, 0.0002393200000000, -0.0004351500000000 ] - [ -0.0008410700000000, 0.0001383000000000, 0.0020268300000000 ] - [ -0.0023035500000000, -0.0019410600000000, -0.0023383400000000 ] - [ -0.0055716100000000, 0.0022078900000000, -0.0008024000000000 ] - [ 0.0121333700000000, 0.0015669500000000, -0.0003560400000000 ] - [ -0.0001892400000000, 0.0000478500000000, -0.0007729600000000 ] - [ 0.0010713800000000, 0.0001052700000000, 0.0007217700000000 ] - [ 0.3406154000000000, 0.1356318400000000, -0.0077162400000000 ] - [ -0.0011677400000000, -0.0005184200000000, -0.0004613300000000 ] - [ 0.0000495600000000, 0.0000239400000000, 0.0001134200000000 ] - [ -0.0002969500000000, 0.0001704700000000, -0.0004925600000000 ] - [ -0.0001761600000000, 0.0002339600000000, 0.0007801700000000 ] - [ -0.0007348300000000, -0.0004176600000000, 0.0002432200000000 ] - [ 0.0014671200000000, -0.0006427300000000, 0.0004189300000000 ] - [ -0.0004040500000000, 0.0000877000000000, 0.0001040600000000 ] - [ 0.0005857000000000, -0.0000974200000000, -0.0008720900000000 ] - [ -0.0013604000000000, -0.0000613400000000, 0.0007468700000000 ] - [ -0.0010517300000000, 0.0000598900000000, 0.0004209700000000 ] - [ -0.0001276500000000, -0.0001057600000000, -0.0006886400000000 ] - [ -0.0004479900000000, 0.0000832400000000, 0.0005340600000000 ] - [ 0.0004219000000000, 0.0001640100000000, -0.0003875600000000 ] - [ 0.0033897300000000, -0.0001808500000000, -0.0014538800000000 ] - [ -0.0004688000000000, -0.0001548800000000, 0.0005982400000000 ] - [ -0.0000239100000000, 0.0005382800000000, -0.0003373900000000 ] - [ -0.0005891900000000, -0.0005304200000000, -0.0002398100000000 ] - [ -0.0004842100000000, 0.0002974300000000, 0.0000715400000000 ] - [ -0.0005888300000000, -0.0007322000000000, -0.0011156600000000 ] - [ 0.0002731200000000, 0.0001849600000000, 0.0003568600000000 ] - [ 0.0001959700000000, -0.0000014200000000, -0.0001523500000000 ] - [ 0.0051504600000000, 0.0067061200000000, -0.0000747400000000 ] - [ -0.0002196900000000, 0.0002563100000000, 0.0000633000000000 ] - [ -0.0000639400000000, 0.0008106600000000, 0.0002039200000000 ] - [ -0.0002664800000000, 0.0004062100000000, -0.0009497100000000 ] - [ 0.0010464900000000, -0.0002271200000000, 0.0004794700000000 ] - [ 0.0000193100000000, -0.0004105500000000, -0.0006242100000000 ] - [ 0.0012555000000000, -0.0038137800000000, 0.0032576600000000 ] - [ -0.0008107000000000, -0.0003884500000000, -0.0003919200000000 ] - [ 0.0005301400000000, 0.0007195300000000, 0.0011215400000000 ] - [ -0.0006107300000000, 0.0002051000000000, -0.0001545300000000 ] - [ -0.3889556800000000, -0.1474692500000000, 0.0065591500000000 ] - [ 0.0018345400000000, 0.0001320200000000, -0.0000008400000000 ] - [ -0.0005221700000000, -0.0000079600000000, -0.0015081100000000 ] - [ 0.0000702900000000, -0.0000212100000000, 0.0013696700000000 ] - [ 0.0012511500000000, -0.0004584200000000, -0.0013110600000000 ] - [ 0.0025135100000000, 0.0002454800000000, 0.0039314000000000 ] - [ -0.0015068600000000, 0.0007056700000000, 0.0007621300000000 ] - [ 0.0014818700000000, 0.0001634800000000, -0.0002152100000000 ] - [ -0.0010805700000000, -0.0007234300000000, 0.0004066800000000 ] - [ 0.0011950600000000, -0.0002549500000000, -0.0004641100000000 ] - [ 0.0008048900000000, 0.0000412400000000, -0.0004905600000000 ] - [ 0.0015252500000000, 0.0021916200000000, 0.0014335700000000 ] - [ -0.0011756400000000, -0.0009553400000000, -0.0033667100000000 ] - [ 0.0010080900000000, 0.0000133000000000, 0.0012428600000000 ] - [ -0.0036886400000000, 0.0009299900000000, -0.0018174900000000 ] - [ 0.0014202100000000, -0.0003185600000000, 0.0003183700000000 ] - [ 0.0010395300000000, -0.0013606200000000, 0.0034781800000000 ] - [ 0.0020412100000000, 0.0009943000000000, -0.0029905200000000 ] - [ 0.0010183000000000, 0.0001905200000000, -0.0001508400000000 ] - [ -0.0011173800000000, 0.0019065600000000, 0.0019163300000000 ] - [ 0.0002280700000000, -0.0000221100000000, -0.0010982200000000 ] - [ 0.0005462100000000, 0.0001478200000000, 0.0008474600000000 ] - [ -0.0016914500000000, -0.0124875900000000, 0.0009538100000000 ] - [ 0.0021757900000000, 0.0000112400000000, -0.0006288700000000 ] - [ 0.0001079600000000, -0.0009706200000000, -0.0032345300000000 ] - [ 0.0012777100000000, 0.0006263800000000, 0.0015645300000000 ] - [ -0.0022383600000000, 0.0025555700000000, -0.0020370900000000 ] - [ 0.0015276800000000, -0.0002351500000000, 0.0010998400000000 ] - [ 0.0173891800000000, 0.0157700600000000, 0.0031963000000000 ] - [ 0.0031424300000000, -0.0023062600000000, 0.0000861600000000 ] - [ -0.0005135500000000, 0.0003140800000000, -0.0010333000000000 ] - [ 0.0000064500000000, 0.0004811900000000, 0.0001749500000000 ]- atom: 49 displacement: [ -0.0099987479920404, 0.0000000000000000, 0.0001582358735165 ] forces: - [ -0.0060768500000000, 0.0003154100000000, 0.0023482100000000 ] - [ 0.0019115100000000, -0.0001917200000000, -0.0010324900000000 ] - [ 0.0014482900000000, 0.0008182600000000, -0.0037930800000000 ] - [ 0.0011794500000000, -0.0007963100000000, 0.0020458800000000 ] - [ -0.0002186000000000, 0.0002465100000000, -0.0023251300000000 ] - [ 0.0009659900000000, 0.0001432900000000, 0.0027824900000000 ] - [ -0.0075068400000000, -0.0000415000000000, 0.0005081700000000 ] - [ 0.0025743200000000, 0.0002017200000000, 0.0005048600000000 ] - [ -0.0054357100000000, 0.0001225200000000, -0.0005734800000000 ] - [ 0.0011629400000000, 0.0000403600000000, 0.0004561900000000 ] - [ 0.0005582500000000, -0.0004194100000000, -0.0020161500000000 ] - [ 0.0020553100000000, 0.0016814200000000, 0.0023695600000000 ] - [ 0.0058081800000000, -0.0025210900000000, 0.0007795000000000 ] - [ -0.0127185000000000, -0.0019939000000000, 0.0005338200000000 ] - [ 0.0004591600000000, 0.0002391600000000, 0.0007654300000000 ] - [ -0.0008029900000000, 0.0001865600000000, -0.0007466700000000 ] - [ -0.3185071600000000, -0.1236777300000000, 0.0069810900000000 ] - [ 0.0008794500000000, 0.0002278700000000, 0.0000402000000000 ] - [ -0.0003460600000000, 0.0002658500000000, -0.0005370400000000 ] - [ -0.0000003300000000, 0.0001202800000000, 0.0000707500000000 ] - [ 0.0004693200000000, 0.0000559700000000, -0.0003528800000000 ] - [ 0.0010369000000000, 0.0007119000000000, 0.0001781200000000 ] - [ -0.0011745200000000, 0.0003552000000000, 0.0000046600000000 ] - [ 0.0007053200000000, -0.0003788200000000, 0.0003183000000000 ] - [ -0.0012666300000000, -0.0001699100000000, 0.0007628300000000 ] - [ 0.0006855900000000, -0.0002062000000000, -0.0008634700000000 ] - [ 0.0003661200000000, 0.0002045500000000, -0.0005303400000000 ] - [ -0.0005668500000000, 0.0003766700000000, 0.0005893600000000 ] - [ 0.0011397900000000, 0.0001805200000000, -0.0004326900000000 ] - [ 0.0002658200000000, 0.0001002600000000, 0.0004963700000000 ] - [ -0.0027094400000000, -0.0000775800000000, 0.0015572600000000 ] - [ 0.0011614200000000, -0.0001106500000000, -0.0004935100000000 ] - [ -0.0005458300000000, -0.0006306400000000, 0.0002069300000000 ] - [ 0.0000198600000000, 0.0004341900000000, 0.0001121800000000 ] - [ -0.0000875700000000, -0.0001968600000000, -0.0001995400000000 ] - [ 0.0000108200000000, 0.0008400400000000, 0.0009939400000000 ] - [ 0.0002991000000000, -0.0000821800000000, -0.0002296900000000 ] - [ 0.0003760900000000, 0.0001046300000000, 0.0002806000000000 ] - [ -0.0047014400000000, -0.0067431200000000, 0.0002053900000000 ] - [ 0.0007955500000000, -0.0003623700000000, 0.0000645300000000 ] - [ 0.0005738000000000, -0.0000983000000000, -0.0008516400000000 ] - [ 0.0007844800000000, 0.0002951800000000, 0.0003030700000000 ] - [ -0.0005304300000000, -0.0004763800000000, -0.0011218900000000 ] - [ 0.0004963900000000, -0.0002906700000000, -0.0000276400000000 ] - [ -0.0017847900000000, 0.0031301500000000, -0.0026388500000000 ] - [ 0.0002980900000000, -0.0003107000000000, 0.0010492500000000 ] - [ -0.0010487800000000, -0.0000213200000000, -0.0004739300000000 ] - [ 0.0000962800000000, 0.0004944300000000, 0.0008069600000000 ] - [ 0.3669789300000000, 0.1353122800000000, -0.0066004900000000 ] - [ -0.0024041000000000, -0.0000463100000000, -0.0001424200000000 ] - [ -0.0000380400000000, -0.0000780400000000, 0.0013704400000000 ] - [ -0.0006289300000000, -0.0000656000000000, -0.0015176600000000 ] - [ -0.0006920100000000, 0.0003804300000000, 0.0014547800000000 ] - [ -0.0019742600000000, -0.0003294400000000, -0.0038338400000000 ] - [ 0.0020698300000000, -0.0006367300000000, -0.0006323200000000 ] - [ -0.0009282100000000, -0.0000836100000000, 0.0003613200000000 ] - [ 0.0014859800000000, 0.0003787600000000, -0.0001651300000000 ] - [ -0.0007911500000000, -0.0000873900000000, 0.0007236800000000 ] - [ -0.0003964800000000, 0.0002881500000000, 0.0007395600000000 ] - [ -0.0011175600000000, -0.0018740800000000, -0.0012042300000000 ] - [ 0.0007855600000000, 0.0013200000000000, 0.0031440900000000 ] - [ -0.0014214800000000, 0.0003423900000000, -0.0014915800000000 ] - [ 0.0032880600000000, -0.0012864300000000, 0.0016039400000000 ] - [ -0.0018347700000000, -0.0000297200000000, -0.0005696900000000 ] - [ -0.0011412700000000, 0.0009026600000000, -0.0030542600000000 ] - [ -0.0021730000000000, -0.0014568900000000, 0.0034276000000000 ] - [ -0.0011306900000000, 0.0002548900000000, 0.0005461900000000 ] - [ 0.0010259500000000, -0.0014684000000000, -0.0015293500000000 ] - [ -0.0001280400000000, 0.0004688800000000, 0.0007135300000000 ] - [ -0.0004470700000000, 0.0003024200000000, -0.0012565000000000 ] - [ 0.0018905600000000, 0.0120610600000000, -0.0013504700000000 ] - [ -0.0020824800000000, -0.0004597200000000, 0.0002354300000000 ] - [ -0.0003756600000000, 0.0016084500000000, 0.0042200400000000 ] - [ -0.0015497400000000, 0.0000280700000000, -0.0005569700000000 ] - [ 0.0020032900000000, -0.0032154500000000, 0.0030490500000000 ] - [ -0.0018006000000000, -0.0004272000000000, -0.0000848100000000 ] - [ -0.0171750200000000, -0.0163989000000000, -0.0042012400000000 ] - [ -0.0028973100000000, 0.0016792400000000, -0.0011079400000000 ] - [ 0.0007811100000000, 0.0003460600000000, 0.0000221100000000 ] - [ 0.0002643600000000, 0.0001746100000000, -0.0011886300000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000609500000000, 0.0042183900000000, -0.0015333400000000 ] - [ -0.0002690300000000, 0.0002223700000000, -0.0003318600000000 ] - [ -0.0006540300000000, -0.0010176700000000, 0.0005934700000000 ] - [ 0.0018240500000000, -0.0005476100000000, 0.0013716300000000 ] - [ 0.0000876100000000, 0.0005903600000000, 0.0005676400000000 ] - [ 0.0001670000000000, 0.0003065000000000, 0.0003087300000000 ] - [ -0.0031067900000000, 0.0023054500000000, -0.0007595200000000 ] - [ -0.0000803300000000, -0.0002256600000000, 0.0004880300000000 ] - [ -0.0005411500000000, 0.0051995800000000, -0.0014094700000000 ] - [ 0.0000045600000000, 0.0006094100000000, -0.0002043500000000 ] - [ 0.0009002100000000, -0.0022023600000000, -0.0019807500000000 ] - [ -0.0002222600000000, -0.0019798700000000, -0.0004040100000000 ] - [ 0.0008543600000000, 0.0023345900000000, 0.0001638200000000 ] - [ 0.0021123900000000, 0.0036905500000000, -0.0001331200000000 ] - [ 0.0003284000000000, -0.0004796300000000, 0.0003096200000000 ] - [ 0.0000424700000000, -0.0009985400000000, -0.0005933800000000 ] - [ 0.1297646700000000, 0.0653028800000000, -0.0020512100000000 ] - [ -0.0002089300000000, -0.0000514900000000, -0.0002201000000000 ] - [ -0.0000582600000000, -0.0000490500000000, -0.0000618300000000 ] - [ -0.0002269600000000, 0.0000739000000000, -0.0002342700000000 ] - [ 0.0007440200000000, 0.0006974200000000, 0.0003073900000000 ] - [ 0.0000789200000000, 0.0000331800000000, 0.0001088100000000 ] - [ 0.0005548100000000, -0.0009367400000000, 0.0005971300000000 ] - [ 0.0000831900000000, -0.0001875800000000, 0.0002178400000000 ] - [ -0.0006033200000000, 0.0001364900000000, 0.0003529100000000 ] - [ -0.0006686400000000, -0.0001117800000000, 0.0001283500000000 ] - [ 0.0000040700000000, 0.0001934800000000, -0.0005066900000000 ] - [ -0.0009180400000000, -0.0004839300000000, 0.0004049900000000 ] - [ 0.0005745300000000, 0.0000329000000000, -0.0000418900000000 ] - [ 0.0001371600000000, 0.0002150500000000, 0.0001131600000000 ] - [ -0.0022856200000000, -0.0026504500000000, 0.0025222500000000 ] - [ 0.0002244000000000, -0.0001280900000000, 0.0001258400000000 ] - [ 0.0000888300000000, -0.0007570100000000, 0.0005694300000000 ] - [ -0.0003594800000000, -0.0002671600000000, -0.0001269800000000 ] - [ -0.0001723900000000, 0.0001704900000000, -0.0000774000000000 ] - [ -0.0009503600000000, 0.0004362000000000, -0.0007668900000000 ] - [ 0.0003041300000000, -0.0000595700000000, 0.0000763200000000 ] - [ 0.0003678200000000, -0.0002385500000000, 0.0001856500000000 ] - [ 0.0105146700000000, -0.0096141500000000, 0.0002720500000000 ] - [ 0.0001624000000000, 0.0000915100000000, 0.0000753000000000 ] - [ 0.0011160400000000, -0.0000777800000000, -0.0006488200000000 ] - [ 0.0001749600000000, 0.0002968400000000, -0.0003088500000000 ] - [ 0.0005432100000000, -0.0002550100000000, 0.0012206100000000 ] - [ 0.0002835600000000, -0.0003206200000000, -0.0003239600000000 ] - [ -0.0013271500000000, -0.0035431100000000, 0.0023379800000000 ] - [ -0.0002649000000000, -0.0004356600000000, 0.0001730300000000 ] - [ -0.0000816000000000, 0.0003264900000000, 0.0002113000000000 ] - [ -0.0002847600000000, 0.0003626600000000, 0.0002533000000000 ] - [ -0.1425096200000000, -0.1001810200000000, 0.0013203400000000 ] - [ -0.0001935500000000, -0.0001332400000000, -0.0000986800000000 ] - [ -0.0003143100000000, 0.0005470500000000, -0.0000478000000000 ] - [ -0.0003030000000000, 0.0004542500000000, -0.0001795700000000 ] - [ -0.0001462100000000, -0.0007523800000000, -0.0002585800000000 ] - [ 0.0005837200000000, -0.0010907700000000, 0.0007119200000000 ] - [ -0.0004067700000000, 0.0023350500000000, -0.0013079000000000 ] - [ 0.0001525700000000, 0.0002658700000000, 0.0001295300000000 ] - [ -0.0000794600000000, -0.0012121800000000, -0.0004423200000000 ] - [ 0.0001685700000000, -0.0007595100000000, -0.0003367800000000 ] - [ -0.0023831900000000, 0.0010508100000000, 0.0003865200000000 ] - [ 0.0004556600000000, 0.0014782400000000, -0.0000262200000000 ] - [ -0.0015778200000000, -0.0007145700000000, 0.0003311000000000 ] - [ 0.0001522700000000, -0.0000526300000000, -0.0000357700000000 ] - [ 0.0017028200000000, 0.0050538500000000, -0.0015473100000000 ] - [ -0.0004090400000000, -0.0001233200000000, -0.0000464300000000 ] - [ -0.0016207500000000, -0.0004487100000000, -0.0018587200000000 ] - [ 0.0006556500000000, 0.0000921000000000, -0.0004373000000000 ] - [ -0.0005139200000000, 0.0003279500000000, 0.0004875300000000 ] - [ 0.0020965600000000, 0.0024030100000000, 0.0021739100000000 ] - [ -0.0000937500000000, 0.0001461400000000, -0.0000098500000000 ] - [ 0.0011102700000000, 0.0002177600000000, 0.0006330700000000 ] - [ -0.0103772600000000, 0.0225939700000000, -0.0022401600000000 ] - [ 0.0005970500000000, 0.0000018000000000, -0.0002616100000000 ] - [ -0.0017108100000000, 0.0004544700000000, 0.0037812800000000 ] - [ -0.0000251800000000, 0.0003516000000000, 0.0005132700000000 ] - [ 0.0023756000000000, 0.0029990700000000, -0.0031457000000000 ] - [ -0.0000499600000000, -0.0001887500000000, 0.0005209000000000 ] - [ 0.0135352300000000, 0.0048997100000000, 0.0008940600000000 ] - [ 0.0001873700000000, -0.0012951700000000, -0.0001263800000000 ] - [ -0.0001685700000000, 0.0007004900000000, -0.0002073700000000 ] - [ 0.0004123700000000, 0.0003514600000000, -0.0006069200000000 ]- atom: 49 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000421000000000, -0.0041158400000000, 0.0007749800000000 ] - [ 0.0002324200000000, -0.0001640300000000, -0.0005332500000000 ] - [ 0.0006091100000000, 0.0009743700000000, -0.0014639900000000 ] - [ -0.0018510900000000, 0.0005073200000000, -0.0022111300000000 ] - [ -0.0000462100000000, -0.0006525100000000, 0.0002884400000000 ] - [ -0.0001256800000000, -0.0003661000000000, 0.0005541200000000 ] - [ 0.0032688200000000, -0.0029681700000000, 0.0015906400000000 ] - [ 0.0001267500000000, 0.0002816500000000, 0.0003695800000000 ] - [ 0.0002774300000000, -0.0049170100000000, 0.0014094800000000 ] - [ -0.0002704100000000, -0.0003261400000000, 0.0002204700000000 ] - [ -0.0011504700000000, 0.0019254000000000, 0.0019717700000000 ] - [ -0.0000447700000000, 0.0017146400000000, 0.0004235700000000 ] - [ -0.0005663300000000, -0.0026402700000000, -0.0001781800000000 ] - [ -0.0019538600000000, -0.0039939800000000, 0.0001310800000000 ] - [ -0.0000606200000000, 0.0007639100000000, -0.0003242700000000 ] - [ 0.0002245600000000, 0.0012809000000000, 0.0005958300000000 ] - [ -0.1279693800000000, -0.0674874400000000, 0.0016201900000000 ] - [ -0.0000853800000000, -0.0002372500000000, -0.0002014600000000 ] - [ -0.0002390800000000, 0.0003417400000000, -0.0003620000000000 ] - [ -0.0000714100000000, 0.0002183600000000, -0.0001863700000000 ] - [ -0.0004466800000000, -0.0004092500000000, 0.0001129700000000 ] - [ 0.0002170300000000, 0.0002567600000000, 0.0003168400000000 ] - [ -0.0002582600000000, 0.0006468600000000, -0.0001838900000000 ] - [ 0.0002168900000000, -0.0001038700000000, 0.0002051300000000 ] - [ -0.0000846600000000, -0.0004028400000000, -0.0004586500000000 ] - [ -0.0000157600000000, -0.0001536200000000, -0.0002382400000000 ] - [ -0.0006918300000000, 0.0000724900000000, 0.0004032600000000 ] - [ 0.0002400700000000, 0.0007463800000000, -0.0005131100000000 ] - [ 0.0001097500000000, 0.0002318000000000, 0.0001492100000000 ] - [ 0.0005493800000000, 0.0000510400000000, -0.0000036600000000 ] - [ 0.0029647000000000, 0.0023886100000000, -0.0023888000000000 ] - [ 0.0004648500000000, -0.0001363600000000, -0.0000204300000000 ] - [ -0.0006656300000000, 0.0006518800000000, -0.0007018100000000 ] - [ -0.0002108400000000, 0.0001662000000000, -0.0000002700000000 ] - [ -0.0003989500000000, -0.0000718100000000, -0.0000498400000000 ] - [ 0.0003831900000000, -0.0003440500000000, 0.0006408200000000 ] - [ 0.0002667100000000, 0.0001652300000000, 0.0000536900000000 ] - [ 0.0002050900000000, 0.0003426000000000, -0.0000567900000000 ] - [ -0.0097320800000000, 0.0096321300000000, -0.0001355600000000 ] - [ 0.0004110900000000, -0.0001926500000000, 0.0000523700000000 ] - [ -0.0006057900000000, 0.0007754200000000, 0.0000019900000000 ] - [ 0.0003427600000000, 0.0004021000000000, -0.0003398500000000 ] - [ -0.0000299700000000, -0.0004489600000000, -0.0018742600000000 ] - [ 0.0002317300000000, -0.0003800300000000, -0.0003276800000000 ] - [ 0.0007835200000000, 0.0028581100000000, -0.0016970300000000 ] - [ -0.0002478600000000, -0.0002628800000000, 0.0004780400000000 ] - [ -0.0004340700000000, 0.0003758900000000, 0.0004418300000000 ] - [ -0.0002303900000000, 0.0003391300000000, 0.0003985800000000 ] - [ 0.1398835200000000, 0.1024124200000000, -0.0014791000000000 ] - [ -0.0003719200000000, 0.0002169000000000, -0.0000429800000000 ] - [ -0.0002453900000000, -0.0006319800000000, -0.0000886900000000 ] - [ -0.0002559900000000, -0.0005368200000000, 0.0000298700000000 ] - [ 0.0007038200000000, 0.0006733200000000, 0.0004054200000000 ] - [ -0.0000101400000000, 0.0010180100000000, -0.0005673900000000 ] - [ 0.0009807400000000, -0.0022639000000000, 0.0014779600000000 ] - [ 0.0003989300000000, -0.0001807200000000, 0.0000124900000000 ] - [ 0.0004896200000000, 0.0008695600000000, 0.0006861400000000 ] - [ 0.0002406100000000, 0.0004210400000000, 0.0005859200000000 ] - [ 0.0028185000000000, -0.0007003400000000, -0.0001460400000000 ] - [ -0.0000617400000000, -0.0011122700000000, 0.0002745900000000 ] - [ 0.0011832900000000, 0.0010585900000000, -0.0005811000000000 ] - [ -0.0005632900000000, 0.0004030500000000, -0.0002128700000000 ] - [ -0.0020812300000000, -0.0054294600000000, 0.0012585200000000 ] - [ -0.0000056300000000, -0.0002270000000000, -0.0001968400000000 ] - [ 0.0015113500000000, 0.0000160400000000, 0.0022510700000000 ] - [ -0.0007663000000000, -0.0005407300000000, 0.0008372700000000 ] - [ 0.0004070300000000, 0.0001221900000000, -0.0000951300000000 ] - [ -0.0022268000000000, -0.0019477100000000, -0.0018031600000000 ] - [ 0.0001985700000000, 0.0002948300000000, -0.0003836500000000 ] - [ -0.0010047600000000, 0.0002309000000000, -0.0010365900000000 ] - [ 0.0101799900000000, -0.0226994600000000, 0.0018049500000000 ] - [ -0.0004951300000000, -0.0004516600000000, -0.0001307800000000 ] - [ 0.0014494700000000, 0.0002264400000000, -0.0027732000000000 ] - [ -0.0002406500000000, 0.0003107300000000, 0.0004986800000000 ] - [ -0.0026623900000000, -0.0036551300000000, 0.0041930200000000 ] - [ -0.0002206600000000, -0.0004673500000000, 0.0004945100000000 ] - [ -0.0132803700000000, -0.0056482900000000, -0.0019187500000000 ] - [ 0.0000721300000000, 0.0006352000000000, -0.0008877900000000 ] - [ 0.0004357100000000, -0.0000466900000000, -0.0008113500000000 ] - [ -0.0001414100000000, 0.0002944400000000, -0.0004093800000000 ]- atom: 49 displacement: [ -0.0052559485207597, 0.0000000000000000, 0.0085073500660972 ] forces: - [ -0.0036332900000000, -0.0003231900000000, 0.0020090100000000 ] - [ 0.0010406500000000, 0.0001310700000000, -0.0022907500000000 ] - [ 0.0021579800000000, 0.0003474700000000, -0.0021374200000000 ] - [ -0.0009622300000000, 0.0000792300000000, 0.0011505900000000 ] - [ 0.0021359500000000, 0.0003368200000000, -0.0029466600000000 ] - [ -0.0016026600000000, 0.0000220400000000, 0.0005354000000000 ] - [ -0.0044090500000000, 0.0000898600000000, 0.0059297900000000 ] - [ 0.0013858200000000, 0.0000911100000000, 0.0002258200000000 ] - [ -0.0039581200000000, -0.0002218900000000, 0.0033262000000000 ] - [ 0.0005743700000000, 0.0003496100000000, -0.0011179300000000 ] - [ 0.0014795400000000, -0.0003163800000000, -0.0008056200000000 ] - [ -0.0001863500000000, 0.0006394100000000, 0.0015337500000000 ] - [ 0.0022319800000000, -0.0011949300000000, 0.0014745300000000 ] - [ -0.0067584300000000, -0.0011137700000000, 0.0038925600000000 ] - [ -0.0001251800000000, -0.0000171900000000, -0.0008229500000000 ] - [ -0.0001094000000000, -0.0002410100000000, -0.0015254900000000 ] - [ -0.1761925600000000, -0.0681893500000000, 0.0159028100000000 ] - [ 0.0004474100000000, 0.0000737900000000, -0.0001377400000000 ] - [ 0.0002445000000000, -0.0000383400000000, -0.0003828600000000 ] - [ -0.0007866000000000, 0.0004507400000000, -0.0001785800000000 ] - [ 0.0013247200000000, 0.0004857500000000, -0.0000172200000000 ] - [ 0.0001743000000000, 0.0000609600000000, 0.0002289600000000 ] - [ -0.0006533400000000, 0.0002950500000000, 0.0001848900000000 ] - [ 0.0003371700000000, -0.0002608100000000, 0.0001403200000000 ] - [ -0.0009257100000000, 0.0001656300000000, -0.0001997700000000 ] - [ 0.0009695200000000, -0.0002146600000000, -0.0011486400000000 ] - [ 0.0002766300000000, 0.0001252600000000, -0.0003818700000000 ] - [ -0.0011297500000000, 0.0002347100000000, 0.0009768100000000 ] - [ 0.0022390200000000, 0.0001150400000000, -0.0014151900000000 ] - [ -0.0004671500000000, 0.0000846800000000, 0.0006686100000000 ] - [ -0.0021081200000000, 0.0009602200000000, 0.0015995100000000 ] - [ 0.0008525900000000, -0.0001436800000000, -0.0002585100000000 ] - [ -0.0005637300000000, -0.0000003800000000, -0.0000408300000000 ] - [ -0.0000084400000000, 0.0002328100000000, -0.0000632300000000 ] - [ 0.0000238100000000, -0.0001882000000000, -0.0001698000000000 ] - [ -0.0009127600000000, 0.0001105600000000, 0.0003313900000000 ] - [ 0.0004882700000000, 0.0003285800000000, -0.0000229000000000 ] - [ 0.0000896800000000, -0.0004349700000000, 0.0002268100000000 ] - [ -0.0022299300000000, -0.0037106300000000, 0.0067999700000000 ] - [ 0.0005317400000000, -0.0002157000000000, 0.0000198400000000 ] - [ 0.0011375300000000, -0.0003494000000000, 0.0000205900000000 ] - [ 0.0004129800000000, 0.0002173800000000, 0.0000917900000000 ] - [ 0.0000355900000000, 0.0002092600000000, -0.0020346500000000 ] - [ -0.0000339300000000, -0.0005894100000000, -0.0008478000000000 ] - [ -0.0002132500000000, 0.0018547300000000, 0.0001966200000000 ] - [ -0.0000664500000000, -0.0002882600000000, 0.0007121200000000 ] - [ -0.0002487300000000, 0.0000256700000000, -0.0005107400000000 ] - [ -0.0005481100000000, 0.0002214800000000, 0.0000920600000000 ] - [ 0.2015470000000000, 0.0741688200000000, -0.0355238700000000 ] - [ -0.0013331600000000, -0.0000285900000000, 0.0001974100000000 ] - [ -0.0013553100000000, -0.0000776400000000, 0.0012080500000000 ] - [ 0.0007553000000000, 0.0000366300000000, -0.0005366800000000 ] - [ -0.0013923900000000, -0.0000980600000000, 0.0008187500000000 ] - [ 0.0023753100000000, 0.0003451200000000, -0.0021805800000000 ] - [ 0.0017965300000000, 0.0008626700000000, -0.0011536500000000 ] - [ -0.0005899500000000, -0.0000737400000000, 0.0007985600000000 ] - [ 0.0003860900000000, -0.0008649900000000, 0.0017443800000000 ] - [ 0.0006419000000000, 0.0017459100000000, 0.0032525800000000 ] - [ -0.0007500900000000, 0.0005583800000000, -0.0005429700000000 ] - [ -0.0001190800000000, -0.0013258000000000, -0.0014699400000000 ] - [ -0.0031517600000000, 0.0011466000000000, 0.0034060100000000 ] - [ 0.0003233000000000, 0.0003707400000000, -0.0006562500000000 ] - [ 0.0007627200000000, -0.0035465000000000, -0.0004683200000000 ] - [ -0.0007832800000000, -0.0000143700000000, -0.0000699300000000 ] - [ 0.0019321200000000, -0.0008758800000000, 0.0000490300000000 ] - [ -0.0021565300000000, -0.0009558400000000, 0.0027322600000000 ] - [ -0.0010342200000000, 0.0003375800000000, 0.0007055800000000 ] - [ 0.0018214800000000, 0.0007656400000000, -0.0010049900000000 ] - [ -0.0027752600000000, -0.0005772900000000, 0.0027208000000000 ] - [ 0.0025192600000000, 0.0002504600000000, 0.0010961100000000 ] - [ 0.0015273200000000, 0.0055310000000000, -0.0057810300000000 ] - [ -0.0009956100000000, -0.0002775400000000, -0.0000150600000000 ] - [ -0.0033483800000000, 0.0033861300000000, 0.0044118700000000 ] - [ -0.0000567800000000, 0.0004966800000000, 0.0002342300000000 ] - [ -0.0008117700000000, -0.0048639400000000, 0.0029279800000000 ] - [ -0.0002698000000000, -0.0001455800000000, 0.0008231200000000 ] - [ -0.0067468100000000, -0.0074186800000000, -0.0072782700000000 ] - [ -0.0018114200000000, 0.0010115400000000, -0.0010250500000000 ] - [ -0.0007288800000000, 0.0010762200000000, 0.0014289000000000 ] - [ 0.0020636500000000, -0.0012324100000000, 0.0003373700000000 ]- atom: 49 displacement: [ 0.0052559485207597, 0.0000000000000000, -0.0085073500660972 ] forces: - [ 0.0036315300000000, 0.0004735800000000, -0.0026486600000000 ] - [ -0.0010697200000000, -0.0000818400000000, 0.0014429300000000 ] - [ -0.0021950300000000, -0.0004025200000000, 0.0012497500000000 ] - [ 0.0009080100000000, -0.0001381700000000, -0.0020213600000000 ] - [ -0.0021078500000000, -0.0003887600000000, 0.0038044100000000 ] - [ 0.0016560400000000, -0.0000743800000000, 0.0003258700000000 ] - [ 0.0044517500000000, -0.0000044800000000, -0.0050813300000000 ] - [ -0.0013359500000000, -0.0000311500000000, 0.0006367400000000 ] - [ 0.0037185000000000, 0.0005778700000000, -0.0037481900000000 ] - [ -0.0008440700000000, -0.0000673300000000, 0.0011326200000000 ] - [ -0.0017627600000000, 0.0000352900000000, 0.0008367300000000 ] - [ -0.0000613500000000, -0.0009078200000000, -0.0015015600000000 ] - [ -0.0019466300000000, 0.0008909900000000, -0.0014992300000000 ] - [ 0.0065367300000000, 0.0007527100000000, -0.0038211000000000 ] - [ 0.0003899700000000, 0.0002993900000000, 0.0008125300000000 ] - [ 0.0003843300000000, 0.0005307700000000, 0.0015018300000000 ] - [ 0.1799904500000000, 0.0704410600000000, -0.0131361400000000 ] - [ -0.0007405900000000, -0.0003643400000000, -0.0002828700000000 ] - [ -0.0005427000000000, 0.0003286200000000, -0.0000417000000000 ] - [ 0.0004962400000000, -0.0001642900000000, -0.0002438200000000 ] - [ -0.0010388000000000, -0.0001974100000000, 0.0004404900000000 ] - [ 0.0001220300000000, 0.0002282300000000, 0.0002041200000000 ] - [ 0.0009432700000000, -0.0005816900000000, 0.0002397300000000 ] - [ -0.0000348400000000, -0.0000304700000000, 0.0002834300000000 ] - [ 0.0002320100000000, -0.0004295600000000, 0.0000974300000000 ] - [ -0.0016539000000000, -0.0000519500000000, 0.0010406700000000 ] - [ -0.0009613900000000, 0.0001412200000000, 0.0002692000000000 ] - [ 0.0004348100000000, 0.0000340500000000, -0.0010790500000000 ] - [ -0.0015516900000000, 0.0001522200000000, 0.0015242100000000 ] - [ 0.0011538400000000, 0.0001810200000000, -0.0005583600000000 ] - [ 0.0028103500000000, -0.0012301500000000, -0.0015134100000000 ] - [ -0.0001619000000000, -0.0001217600000000, 0.0003638700000000 ] - [ -0.0000084700000000, -0.0001041500000000, -0.0000845500000000 ] - [ -0.0005624600000000, -0.0003302800000000, -0.0000628800000000 ] - [ -0.0005972000000000, 0.0002909300000000, 0.0000405700000000 ] - [ 0.0003327000000000, -0.0000086200000000, -0.0004659400000000 ] - [ 0.0000837500000000, -0.0002288900000000, 0.0001496200000000 ] - [ 0.0004826000000000, 0.0005374800000000, -0.0000992400000000 ] - [ 0.0027143000000000, 0.0037059100000000, -0.0066407700000000 ] - [ 0.0000436000000000, 0.0001109400000000, 0.0001082100000000 ] - [ -0.0006319900000000, 0.0010624000000000, -0.0006797700000000 ] - [ 0.0001025800000000, 0.0004832100000000, -0.0007409400000000 ] - [ 0.0004767800000000, -0.0009048000000000, 0.0013800300000000 ] - [ 0.0005549100000000, -0.0001082800000000, 0.0002035300000000 ] - [ -0.0003132000000000, -0.0025458600000000, 0.0004165100000000 ] - [ -0.0004472000000000, -0.0004111300000000, -0.0000574100000000 ] - [ -0.0002712000000000, 0.0006722900000000, 0.0011577100000000 ] - [ 0.0000372700000000, 0.0004795400000000, 0.0005641300000000 ] - [ -0.2056545300000000, -0.0766682100000000, 0.0323668400000000 ] - [ 0.0007651600000000, 0.0001123400000000, -0.0003418700000000 ] - [ 0.0007982400000000, -0.0000065800000000, -0.0013491700000000 ] - [ -0.0013198800000000, -0.0001167100000000, 0.0003915200000000 ] - [ 0.0019594200000000, 0.0000200300000000, -0.0006691700000000 ] - [ -0.0018006300000000, -0.0004308000000000, 0.0023293800000000 ] - [ -0.0012307400000000, -0.0007780800000000, 0.0012768000000000 ] - [ 0.0011450100000000, 0.0001551800000000, -0.0006591000000000 ] - [ 0.0000315800000000, 0.0005148000000000, -0.0015013500000000 ] - [ -0.0002518400000000, -0.0021204100000000, -0.0030285400000000 ] - [ 0.0011512100000000, -0.0002202600000000, 0.0008057800000000 ] - [ 0.0005310100000000, 0.0016567700000000, 0.0017027300000000 ] - [ 0.0027458400000000, -0.0007832200000000, -0.0036375300000000 ] - [ -0.0007402000000000, -0.0000200700000000, 0.0004006000000000 ] - [ -0.0011673200000000, 0.0032311400000000, 0.0002655600000000 ] - [ 0.0003736600000000, -0.0003337200000000, -0.0001784900000000 ] - [ -0.0020498800000000, 0.0004313100000000, 0.0003265500000000 ] - [ 0.0020388400000000, 0.0004967900000000, -0.0023207500000000 ] - [ 0.0009236400000000, 0.0001075300000000, -0.0003055000000000 ] - [ -0.0019155800000000, -0.0003080900000000, 0.0014216700000000 ] - [ 0.0028899700000000, 0.0010312700000000, -0.0031207400000000 ] - [ -0.0024035400000000, 0.0001941200000000, -0.0014891900000000 ] - [ -0.0013462500000000, -0.0060567400000000, 0.0053651400000000 ] - [ 0.0010923900000000, -0.0001714300000000, -0.0003788900000000 ] - [ 0.0031145700000000, -0.0027782600000000, -0.0034350700000000 ] - [ -0.0002069600000000, 0.0001603200000000, 0.0007777100000000 ] - [ 0.0005545600000000, 0.0041639500000000, -0.0019038800000000 ] - [ -0.0000099700000000, -0.0005167400000000, 0.0001840900000000 ] - [ 0.0068850700000000, 0.0066893200000000, 0.0062848500000000 ] - [ 0.0020687500000000, -0.0016509700000000, -0.0000000200000000 ] - [ 0.0009993100000000, -0.0004168700000000, -0.0024400300000000 ] - [ -0.0018183700000000, 0.0019126900000000, -0.0013584900000000 ]- atom: 57 displacement: [ 0.0099987479920404, 0.0000000000000000, -0.0001582358735165 ] forces: - [ 0.0073452100000000, -0.0008353000000000, -0.0005946400000000 ] - [ -0.0024692900000000, 0.0001216900000000, -0.0010976300000000 ] - [ 0.0005165000000000, -0.0000749500000000, 0.0016319400000000 ] - [ -0.0011306000000000, -0.0000550100000000, -0.0018544600000000 ] - [ 0.0114763400000000, 0.0002423600000000, 0.0001470900000000 ] - [ -0.0068787300000000, -0.0003293700000000, -0.0021231700000000 ] - [ 0.0024983600000000, 0.0001917000000000, 0.0013922600000000 ] - [ -0.0002373800000000, 0.0001220400000000, -0.0003743400000000 ] - [ -0.0020942900000000, 0.0005538100000000, 0.0006261800000000 ] - [ 0.0054808000000000, 0.0016878100000000, 0.0004519200000000 ] - [ -0.0016483200000000, -0.0014948500000000, -0.0019356800000000 ] - [ -0.0013376100000000, 0.0016352600000000, 0.0014463000000000 ] - [ -0.0023216600000000, -0.0016272800000000, 0.0043359300000000 ] - [ -0.0007458300000000, 0.0008849400000000, -0.0033619300000000 ] - [ 0.0070855100000000, -0.0018573400000000, -0.0003877000000000 ] - [ -0.0024175300000000, -0.0004098300000000, 0.0003264300000000 ] - [ 0.0002582400000000, -0.0001751800000000, 0.0003864000000000 ] - [ -0.0005480000000000, -0.0003931200000000, -0.0005914100000000 ] - [ 0.0005608000000000, -0.0006811400000000, 0.0000325800000000 ] - [ -0.0008789200000000, 0.0003232800000000, -0.0002835800000000 ] - [ 0.0000722900000000, 0.0003194000000000, 0.0010155700000000 ] - [ -0.0005061600000000, -0.0002600000000000, -0.0002227000000000 ] - [ 0.0029424200000000, -0.0014438400000000, 0.0005320400000000 ] - [ -0.0006167100000000, 0.0002283900000000, 0.0000670900000000 ] - [ 0.2286366000000000, -0.0220871100000000, -0.1491615800000000 ] - [ -0.0016629900000000, -0.0000742800000000, 0.0006925800000000 ] - [ -0.0012247000000000, -0.0000410300000000, 0.0005683100000000 ] - [ -0.0004150900000000, 0.0001357900000000, -0.0003747500000000 ] - [ -0.0002548000000000, 0.0005175900000000, 0.0001690700000000 ] - [ -0.0004595700000000, -0.0001677500000000, 0.0005020200000000 ] - [ 0.0003734800000000, -0.0001427000000000, 0.0000540300000000 ] - [ 0.0006593200000000, -0.0003168100000000, -0.0001404000000000 ] - [ 0.0012391100000000, 0.0044825600000000, 0.0013169400000000 ] - [ -0.0007183900000000, -0.0006914100000000, 0.0000205300000000 ] - [ -0.0002969900000000, 0.0001324800000000, 0.0016563000000000 ] - [ -0.0005574500000000, 0.0002056000000000, -0.0002859600000000 ] - [ 0.0003600600000000, -0.0003589700000000, 0.0002369700000000 ] - [ 0.0001330200000000, -0.0003328300000000, 0.0000157600000000 ] - [ 0.0005103800000000, -0.0001200400000000, 0.0001439500000000 ] - [ 0.0002225800000000, -0.0001510600000000, -0.0000705700000000 ] - [ 0.0009620000000000, -0.0001533600000000, 0.0005121900000000 ] - [ -0.0004596500000000, 0.0012113200000000, -0.0008976200000000 ] - [ 0.0039866400000000, -0.0040197500000000, -0.0072097200000000 ] - [ -0.0003401600000000, -0.0005173600000000, -0.0006739600000000 ] - [ -0.0000182000000000, -0.0004041700000000, 0.0008481300000000 ] - [ -0.0006116000000000, -0.0001325600000000, -0.0002567900000000 ] - [ -0.0000326700000000, 0.0015708700000000, 0.0006969100000000 ] - [ -0.0007583100000000, 0.0002114400000000, -0.0000517200000000 ] - [ -0.0015716700000000, -0.0002337500000000, -0.0006857800000000 ] - [ 0.0007383700000000, 0.0000148900000000, 0.0010186200000000 ] - [ 0.0003212100000000, 0.0025487400000000, -0.0008047400000000 ] - [ 0.0010257400000000, -0.0003001700000000, 0.0003826000000000 ] - [ -0.0007099400000000, -0.0014223500000000, -0.0040525800000000 ] - [ 0.0014934900000000, 0.0003148500000000, 0.0014549900000000 ] - [ -0.0031931100000000, -0.0018634800000000, -0.0009328700000000 ] - [ 0.0018998000000000, 0.0002428700000000, 0.0003914800000000 ] - [ -0.2858216900000000, 0.0234145600000000, 0.1687752500000000 ] - [ 0.0029224200000000, -0.0001952400000000, -0.0001277500000000 ] - [ 0.0004246800000000, -0.0001214300000000, -0.0026658500000000 ] - [ 0.0013119100000000, -0.0000274700000000, 0.0021745700000000 ] - [ 0.0002913200000000, -0.0033485700000000, 0.0022279600000000 ] - [ 0.0017364200000000, 0.0008410900000000, -0.0004037900000000 ] - [ -0.0002170100000000, 0.0000224800000000, -0.0007854400000000 ] - [ 0.0004790800000000, -0.0004295800000000, 0.0017647800000000 ] - [ 0.0233795400000000, -0.0033321700000000, -0.0261134200000000 ] - [ 0.0032337000000000, -0.0001184900000000, 0.0026821500000000 ] - [ -0.0012056700000000, 0.0014845600000000, -0.0030200800000000 ] - [ 0.0005902300000000, 0.0001913600000000, 0.0005547400000000 ] - [ 0.0018606500000000, -0.0011339000000000, -0.0003749100000000 ] - [ 0.0013884400000000, 0.0029574200000000, 0.0000198900000000 ] - [ -0.0002689700000000, 0.0000378800000000, 0.0003569800000000 ] - [ -0.0001194200000000, 0.0000429400000000, -0.0005220000000000 ] - [ 0.0012364300000000, 0.0009651800000000, -0.0030713800000000 ] - [ 0.0018675200000000, -0.0007927400000000, 0.0037515200000000 ] - [ 0.0014836600000000, 0.0070956200000000, 0.0124744200000000 ] - [ 0.0021042600000000, -0.0008494100000000, 0.0003843900000000 ] - [ -0.0004848900000000, 0.0000391000000000, -0.0018190000000000 ] - [ 0.0013176700000000, -0.0004205000000000, 0.0007299700000000 ] - [ -0.0029343800000000, -0.0013886800000000, -0.0015842100000000 ] - [ 0.0017421500000000, 0.0003344600000000, -0.0000556200000000 ]- atom: 57 displacement: [ -0.0099987479920404, 0.0000000000000000, 0.0001582358735165 ] forces: - [ -0.0074050500000000, 0.0008964000000000, -0.0002417600000000 ] - [ 0.0024439400000000, -0.0000701700000000, 0.0002507900000000 ] - [ -0.0005655300000000, 0.0000160800000000, -0.0025089900000000 ] - [ 0.0010961800000000, -0.0000007400000000, 0.0009953800000000 ] - [ -0.0123834800000000, -0.0003192500000000, 0.0008406100000000 ] - [ 0.0068853800000000, 0.0002797100000000, 0.0030180100000000 ] - [ -0.0024626600000000, -0.0001390400000000, -0.0005664300000000 ] - [ 0.0002883000000000, -0.0000634500000000, 0.0012403600000000 ] - [ 0.0018441300000000, -0.0002792600000000, -0.0006280300000000 ] - [ -0.0057824400000000, -0.0014473600000000, -0.0005171300000000 ] - [ 0.0013696800000000, 0.0012105600000000, 0.0019649800000000 ] - [ 0.0010894600000000, -0.0019336100000000, -0.0014355300000000 ] - [ 0.0026107900000000, 0.0013572100000000, -0.0043831700000000 ] - [ 0.0010000000000000, -0.0011672400000000, 0.0033609600000000 ] - [ -0.0068186900000000, 0.0021014900000000, 0.0004080600000000 ] - [ 0.0027085100000000, 0.0007057500000000, -0.0003473500000000 ] - [ -0.0005581900000000, -0.0001163400000000, -0.0008143000000000 ] - [ 0.0002546700000000, 0.0001027200000000, 0.0001743300000000 ] - [ -0.0008686600000000, 0.0009773600000000, -0.0004554800000000 ] - [ 0.0005843100000000, -0.0000358900000000, -0.0001382400000000 ] - [ 0.0002239000000000, -0.0000324800000000, -0.0006041300000000 ] - [ 0.0008014300000000, 0.0005485000000000, 0.0006455500000000 ] - [ -0.0026586100000000, 0.0011474200000000, -0.0001171400000000 ] - [ 0.0009204800000000, -0.0005214100000000, 0.0003566300000000 ] - [ -0.2168146900000000, 0.0200871700000000, 0.1367705300000000 ] - [ 0.0009889700000000, -0.0001910000000000, -0.0008016600000000 ] - [ 0.0005378300000000, 0.0003082400000000, -0.0006773300000000 ] - [ -0.0002723900000000, 0.0001300200000000, 0.0002655500000000 ] - [ 0.0009392700000000, -0.0002602500000000, -0.0000536300000000 ] - [ 0.0011444000000000, 0.0004352700000000, -0.0003894000000000 ] - [ 0.0003142300000000, -0.0001226600000000, 0.0000514300000000 ] - [ 0.0000217100000000, 0.0000555300000000, 0.0002512200000000 ] - [ -0.0018204600000000, -0.0046291200000000, -0.0014453500000000 ] - [ 0.0001489500000000, 0.0005968500000000, -0.0001479100000000 ] - [ -0.0002872300000000, -0.0000259100000000, -0.0017917800000000 ] - [ -0.0000145200000000, -0.0001041800000000, 0.0001585500000000 ] - [ 0.0002088300000000, 0.0004647300000000, -0.0001101800000000 ] - [ 0.0004434800000000, 0.0004345800000000, 0.0001105100000000 ] - [ 0.0000590000000000, 0.0000202700000000, -0.0000170600000000 ] - [ 0.0003488900000000, 0.0000497900000000, 0.0002002000000000 ] - [ -0.0004549200000000, 0.0008599100000000, -0.0011728700000000 ] - [ 0.0009724600000000, -0.0005043400000000, 0.0002529200000000 ] - [ -0.0035961900000000, 0.0032878800000000, 0.0064987200000000 ] - [ 0.0008601000000000, -0.0001800800000000, 0.0000286300000000 ] - [ -0.0005017700000000, -0.0002937700000000, -0.0002048600000000 ] - [ 0.0000991500000000, -0.0005685700000000, 0.0009124000000000 ] - [ -0.0004958300000000, -0.0008759600000000, -0.0000462600000000 ] - [ 0.0002446700000000, 0.0004895200000000, 0.0007067200000000 ] - [ 0.0010218200000000, 0.0003165300000000, 0.0005609700000000 ] - [ -0.0013031300000000, 0.0000715200000000, -0.0011762500000000 ] - [ -0.0008764200000000, -0.0026603700000000, 0.0006642100000000 ] - [ -0.0015928200000000, 0.0002227400000000, -0.0005293400000000 ] - [ 0.0012793100000000, 0.0013533500000000, 0.0042398500000000 ] - [ -0.0009363800000000, -0.0003967700000000, -0.0013146100000000 ] - [ 0.0037614900000000, 0.0019634700000000, 0.0010832000000000 ] - [ -0.0013512100000000, -0.0001637200000000, -0.0002544200000000 ] - [ 0.2748713100000000, -0.0218834300000000, -0.1561500800000000 ] - [ -0.0025324800000000, -0.0001539000000000, 0.0003713200000000 ] - [ -0.0000158700000000, 0.0004705800000000, 0.0029316600000000 ] - [ -0.0009042300000000, 0.0003727300000000, -0.0019266500000000 ] - [ -0.0006878400000000, 0.0037339900000000, -0.0025059400000000 ] - [ -0.0021521900000000, -0.0004945600000000, 0.0001487900000000 ] - [ -0.0001896000000000, -0.0003724700000000, 0.0005519700000000 ] - [ -0.0008927600000000, 0.0000559600000000, -0.0020205000000000 ] - [ -0.0235283000000000, 0.0028892200000000, 0.0263924600000000 ] - [ -0.0033727600000000, -0.0003318300000000, -0.0023268300000000 ] - [ 0.0011160100000000, -0.0010345900000000, 0.0034204400000000 ] - [ -0.0007010000000000, 0.0002555300000000, -0.0001532600000000 ] - [ -0.0017640700000000, 0.0016050700000000, -0.0000256000000000 ] - [ -0.0012736400000000, -0.0024740400000000, -0.0004194100000000 ] - [ 0.0003823400000000, -0.0004869200000000, -0.0007511800000000 ] - [ 0.0002293700000000, -0.0004920100000000, 0.0001257600000000 ] - [ -0.0015175200000000, -0.0003185000000000, 0.0041400900000000 ] - [ -0.0021211200000000, 0.0014360400000000, -0.0027085900000000 ] - [ -0.0016780200000000, -0.0077843200000000, -0.0115177800000000 ] - [ -0.0023892000000000, 0.0001942600000000, 0.0006251900000000 ] - [ 0.0007460500000000, -0.0006990100000000, 0.0008274000000000 ] - [ -0.0010567100000000, -0.0002354000000000, -0.0017517100000000 ] - [ 0.0032236500000000, 0.0020374600000000, 0.0005634600000000 ] - [ -0.0014858400000000, 0.0003225000000000, -0.0009617100000000 ]- atom: 57 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0009264100000000, 0.0012627500000000, 0.0002340600000000 ] - [ -0.0000762700000000, -0.0001298100000000, -0.0005511400000000 ] - [ -0.0000277500000000, -0.0011717700000000, -0.0004136900000000 ] - [ 0.0003637900000000, -0.0006411400000000, -0.0003609300000000 ] - [ -0.0002740600000000, 0.0037978700000000, 0.0008017400000000 ] - [ 0.0001801600000000, 0.0014113300000000, 0.0005186400000000 ] - [ 0.0007329900000000, -0.0000194400000000, -0.0010667400000000 ] - [ 0.0000150700000000, 0.0006072300000000, 0.0011704100000000 ] - [ 0.0000982700000000, 0.0002450800000000, 0.0001674800000000 ] - [ 0.0011680400000000, 0.0059625000000000, 0.0027119700000000 ] - [ -0.0010620900000000, -0.0022790500000000, 0.0000773200000000 ] - [ 0.0001203900000000, -0.0011459900000000, -0.0004245200000000 ] - [ 0.0002134600000000, 0.0007514700000000, -0.0003280900000000 ] - [ 0.0001422500000000, 0.0014573700000000, 0.0002155100000000 ] - [ -0.0026622900000000, 0.0064317400000000, 0.0002997500000000 ] - [ 0.0002068300000000, 0.0000811600000000, 0.0000231500000000 ] - [ -0.0001441300000000, 0.0000729700000000, 0.0001963600000000 ] - [ -0.0006260500000000, -0.0003409300000000, -0.0005213800000000 ] - [ 0.0002139700000000, -0.0008697300000000, 0.0000278800000000 ] - [ -0.0000551600000000, -0.0002168800000000, -0.0000453400000000 ] - [ 0.0002594900000000, 0.0004256900000000, 0.0003742100000000 ] - [ 0.0002544500000000, 0.0003852300000000, 0.0001457100000000 ] - [ 0.0003651300000000, -0.0018728500000000, -0.0012493800000000 ] - [ 0.0001396700000000, -0.0001388700000000, 0.0002028900000000 ] - [ -0.0216948500000000, 0.0197900300000000, 0.0143523000000000 ] - [ -0.0003898400000000, -0.0001085900000000, 0.0000025300000000 ] - [ -0.0009555800000000, 0.0000583500000000, 0.0003286800000000 ] - [ -0.0003268000000000, 0.0001194000000000, -0.0002255800000000 ] - [ 0.0009304400000000, 0.0000980900000000, -0.0006886700000000 ] - [ -0.0004636600000000, 0.0002799600000000, 0.0005938500000000 ] - [ 0.0003518700000000, -0.0002153900000000, 0.0000777200000000 ] - [ -0.0002290100000000, -0.0003859700000000, -0.0000127100000000 ] - [ 0.0011709600000000, -0.0009708800000000, -0.0020795100000000 ] - [ -0.0003688200000000, -0.0000324400000000, -0.0000387900000000 ] - [ -0.0004619200000000, 0.0010936500000000, 0.0000463000000000 ] - [ -0.0002598200000000, 0.0001599400000000, -0.0000643100000000 ] - [ 0.0003655800000000, -0.0002881500000000, 0.0000209800000000 ] - [ 0.0008543700000000, -0.0014440500000000, -0.0001881400000000 ] - [ 0.0005046100000000, -0.0000711600000000, 0.0004246900000000 ] - [ 0.0003319300000000, -0.0003749600000000, -0.0000623300000000 ] - [ 0.0002237700000000, 0.0004908700000000, -0.0004126700000000 ] - [ 0.0002950400000000, 0.0001810800000000, -0.0003881600000000 ] - [ -0.0035832000000000, 0.0038168200000000, -0.0078003400000000 ] - [ 0.0002778600000000, -0.0002890800000000, -0.0003524500000000 ] - [ -0.0000655000000000, -0.0006251800000000, 0.0006435000000000 ] - [ -0.0000240500000000, -0.0007250100000000, 0.0006420900000000 ] - [ 0.0010405800000000, -0.0007664200000000, 0.0000332200000000 ] - [ -0.0003731500000000, 0.0002069700000000, 0.0002392600000000 ] - [ -0.0008489900000000, -0.0010054500000000, -0.0012361900000000 ] - [ -0.0003321200000000, -0.0005511600000000, 0.0021776300000000 ] - [ -0.0001667400000000, 0.0008390100000000, -0.0004580800000000 ] - [ -0.0022949900000000, 0.0012578000000000, 0.0004257200000000 ] - [ -0.0008542100000000, -0.0009296600000000, 0.0005092200000000 ] - [ 0.0001180200000000, -0.0002716100000000, 0.0001992500000000 ] - [ -0.0007695700000000, 0.0052932200000000, 0.0033838700000000 ] - [ 0.0004215600000000, 0.0000946800000000, -0.0000279700000000 ] - [ 0.0236358300000000, -0.0475281500000000, -0.0188235300000000 ] - [ 0.0001807100000000, -0.0002896400000000, 0.0000840600000000 ] - [ 0.0004952600000000, 0.0002475500000000, -0.0000574300000000 ] - [ 0.0004083600000000, 0.0001818100000000, 0.0003252400000000 ] - [ -0.0037669000000000, 0.0015500600000000, -0.0009030300000000 ] - [ 0.0004603400000000, 0.0001142700000000, -0.0004390000000000 ] - [ -0.0004047000000000, 0.0002300600000000, -0.0002803500000000 ] - [ -0.0000099300000000, 0.0035853300000000, -0.0032470100000000 ] - [ -0.0032340300000000, -0.0064910200000000, 0.0035661100000000 ] - [ 0.0002153900000000, -0.0004960500000000, 0.0000048500000000 ] - [ 0.0011068100000000, -0.0005295900000000, -0.0022282900000000 ] - [ -0.0000936400000000, 0.0001569300000000, 0.0004011100000000 ] - [ -0.0004896800000000, 0.0002840300000000, 0.0002820200000000 ] - [ 0.0028214100000000, 0.0036536600000000, 0.0005819100000000 ] - [ -0.0003750800000000, 0.0003441400000000, -0.0005847700000000 ] - [ 0.0003918800000000, 0.0003553000000000, -0.0002179100000000 ] - [ -0.0003373600000000, -0.0000496600000000, 0.0006381600000000 ] - [ -0.0002708700000000, -0.0019171500000000, -0.0002966800000000 ] - [ 0.0065299100000000, 0.0010478800000000, 0.0110082900000000 ] - [ -0.0001840200000000, -0.0005311300000000, 0.0005925500000000 ] - [ 0.0016930900000000, -0.0001022200000000, -0.0023307600000000 ] - [ 0.0002620200000000, 0.0001674800000000, -0.0007660800000000 ] - [ 0.0000318500000000, 0.0065020100000000, 0.0008879700000000 ] - [ -0.0001101900000000, 0.0007234800000000, -0.0004682200000000 ]- atom: 57 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0009407100000000, -0.0008891300000000, -0.0013145900000000 ] - [ 0.0000367600000000, 0.0001877200000000, -0.0003093600000000 ] - [ -0.0000050400000000, 0.0011133300000000, -0.0004492100000000 ] - [ -0.0004163700000000, 0.0005865900000000, -0.0005038000000000 ] - [ 0.0002479400000000, -0.0038504400000000, 0.0000923400000000 ] - [ -0.0001141100000000, -0.0014635300000000, 0.0003664700000000 ] - [ -0.0006964800000000, 0.0000640800000000, 0.0019117600000000 ] - [ 0.0000274600000000, -0.0005569600000000, -0.0003202900000000 ] - [ -0.0003658900000000, 0.0000410600000000, -0.0001526500000000 ] - [ -0.0013629500000000, -0.0055552900000000, -0.0024872500000000 ] - [ 0.0007904000000000, 0.0019849100000000, -0.0000655300000000 ] - [ -0.0003912800000000, 0.0008402300000000, 0.0004428900000000 ] - [ 0.0000740300000000, -0.0010121500000000, 0.0002894000000000 ] - [ 0.0001190500000000, -0.0017294400000000, -0.0002357100000000 ] - [ 0.0031827700000000, -0.0067139800000000, -0.0001152100000000 ] - [ 0.0000600200000000, 0.0002020200000000, -0.0000369900000000 ] - [ -0.0001542800000000, -0.0003573300000000, -0.0006162800000000 ] - [ 0.0003280500000000, 0.0000532600000000, 0.0000970100000000 ] - [ -0.0005004900000000, 0.0011545100000000, -0.0004484600000000 ] - [ -0.0002430200000000, 0.0005098800000000, -0.0003785500000000 ] - [ 0.0000381800000000, -0.0001333800000000, 0.0000488600000000 ] - [ 0.0000419300000000, -0.0000925200000000, 0.0002771300000000 ] - [ -0.0000487800000000, 0.0015784400000000, 0.0016893500000000 ] - [ 0.0001603800000000, -0.0001526900000000, 0.0002198700000000 ] - [ 0.0187019300000000, -0.0193341500000000, -0.0128809700000000 ] - [ -0.0002956700000000, -0.0001560500000000, -0.0001101900000000 ] - [ 0.0002719800000000, 0.0002092800000000, -0.0004385400000000 ] - [ -0.0003598800000000, 0.0001464900000000, 0.0001169900000000 ] - [ -0.0002434400000000, 0.0001679600000000, 0.0007946500000000 ] - [ 0.0011413000000000, -0.0000091700000000, -0.0004771300000000 ] - [ 0.0003338900000000, -0.0000497600000000, 0.0000309500000000 ] - [ 0.0009239800000000, 0.0001203200000000, 0.0001172900000000 ] - [ -0.0017543700000000, 0.0008232100000000, 0.0019516600000000 ] - [ -0.0002023600000000, -0.0000664500000000, -0.0000887500000000 ] - [ -0.0001113000000000, -0.0009879100000000, -0.0001716200000000 ] - [ -0.0003113900000000, -0.0000581800000000, -0.0000626900000000 ] - [ 0.0002081500000000, 0.0003892900000000, 0.0001072700000000 ] - [ -0.0002842600000000, 0.0015451700000000, 0.0003184300000000 ] - [ 0.0000688400000000, -0.0000251900000000, -0.0002928100000000 ] - [ 0.0002413100000000, 0.0002771100000000, 0.0001883100000000 ] - [ 0.0002913800000000, 0.0002117800000000, -0.0002411000000000 ] - [ 0.0002195500000000, 0.0005147000000000, -0.0002661800000000 ] - [ 0.0040841300000000, -0.0046249600000000, 0.0070680500000000 ] - [ 0.0002386800000000, -0.0004093500000000, -0.0002979600000000 ] - [ -0.0004512400000000, -0.0000750300000000, 0.0000108400000000 ] - [ -0.0004968200000000, 0.0000292000000000, 0.0000014700000000 ] - [ -0.0015475000000000, 0.0014703600000000, 0.0006207900000000 ] - [ -0.0001428400000000, 0.0004957500000000, 0.0004141500000000 ] - [ 0.0002897600000000, 0.0010772500000000, 0.0010896300000000 ] - [ -0.0002357500000000, 0.0006304300000000, -0.0023071800000000 ] - [ -0.0004015000000000, -0.0009117400000000, 0.0003124200000000 ] - [ 0.0017550100000000, -0.0013323700000000, -0.0005776400000000 ] - [ 0.0014081200000000, 0.0008442300000000, -0.0003624700000000 ] - [ 0.0004432900000000, 0.0001844700000000, -0.0000597900000000 ] - [ 0.0013421700000000, -0.0051889400000000, -0.0032791900000000 ] - [ 0.0001363800000000, -0.0000081100000000, 0.0001704400000000 ] - [ -0.0210430500000000, 0.0465676100000000, 0.0172048500000000 ] - [ 0.0002235600000000, -0.0000600300000000, 0.0001586000000000 ] - [ -0.0000910400000000, 0.0001106000000000, 0.0003106100000000 ] - [ 0.0000020300000000, 0.0001719400000000, -0.0000796000000000 ] - [ 0.0033408600000000, -0.0012049800000000, 0.0006572200000000 ] - [ -0.0008658800000000, 0.0002284200000000, 0.0001858400000000 ] - [ -0.0000052900000000, -0.0005765100000000, 0.0000359700000000 ] - [ -0.0003962700000000, -0.0039569200000000, 0.0030519400000000 ] - [ 0.0029232200000000, 0.0060780800000000, -0.0030041400000000 ] - [ -0.0003232000000000, 0.0000483600000000, 0.0003860800000000 ] - [ -0.0012260400000000, 0.0009890900000000, 0.0026226900000000 ] - [ -0.0000127100000000, 0.0002926100000000, -0.0000047300000000 ] - [ 0.0005986600000000, 0.0001595400000000, -0.0006768800000000 ] - [ -0.0026827500000000, -0.0032061500000000, -0.0009777900000000 ] - [ 0.0004803500000000, -0.0007884300000000, 0.0001860200000000 ] - [ -0.0002912000000000, -0.0008027600000000, -0.0001698100000000 ] - [ 0.0000757400000000, 0.0007066900000000, 0.0003771800000000 ] - [ 0.0000013100000000, 0.0025950700000000, 0.0013033600000000 ] - [ -0.0068183800000000, -0.0016403500000000, -0.0100084400000000 ] - [ -0.0000934600000000, -0.0001202400000000, 0.0004230400000000 ] - [ -0.0014039400000000, -0.0005649400000000, 0.0013009600000000 ] - [ 0.0000101900000000, -0.0008278200000000, -0.0002394600000000 ] - [ 0.0002063100000000, -0.0058399200000000, -0.0018958900000000 ] - [ 0.0003804500000000, -0.0000677500000000, -0.0005479500000000 ]- atom: 57 displacement: [ -0.0052559485207597, 0.0000000000000000, 0.0085073500660972 ] forces: - [ -0.0041466300000000, 0.0016919900000000, 0.0050092400000000 ] - [ 0.0011780800000000, -0.0001597500000000, -0.0006263300000000 ] - [ 0.0017922100000000, -0.0001791700000000, -0.0024735000000000 ] - [ -0.0012975200000000, 0.0000663500000000, -0.0001902800000000 ] - [ -0.0091394100000000, -0.0000754400000000, 0.0061085400000000 ] - [ 0.0034328400000000, 0.0003264200000000, 0.0050423400000000 ] - [ -0.0002977600000000, -0.0008286900000000, -0.0037152300000000 ] - [ -0.0003628000000000, 0.0002541300000000, -0.0013973600000000 ] - [ 0.0011396700000000, -0.0002084100000000, -0.0012012100000000 ] - [ -0.0017067300000000, 0.0021814700000000, 0.0075378200000000 ] - [ -0.0020550700000000, -0.0009529400000000, 0.0009871500000000 ] - [ 0.0026717200000000, -0.0023046900000000, -0.0012190300000000 ] - [ 0.0045546400000000, 0.0015553400000000, -0.0055158500000000 ] - [ -0.0022298400000000, 0.0004809500000000, 0.0001319500000000 ] - [ -0.0032939200000000, 0.0011848100000000, 0.0057872400000000 ] - [ 0.0018302400000000, 0.0005830200000000, -0.0005215900000000 ] - [ -0.0001040700000000, 0.0000422400000000, -0.0008911500000000 ] - [ -0.0006634100000000, -0.0002071100000000, -0.0004942800000000 ] - [ -0.0000112600000000, 0.0003714200000000, 0.0001325800000000 ] - [ 0.0001754700000000, 0.0001713000000000, -0.0003439100000000 ] - [ 0.0007882100000000, 0.0004178300000000, -0.0001962600000000 ] - [ -0.0005663100000000, -0.0001414600000000, 0.0003479500000000 ] - [ -0.0004649600000000, -0.0010559900000000, 0.0001849300000000 ] - [ 0.0007399200000000, -0.0004469400000000, 0.0001678200000000 ] - [ -0.2273316500000000, 0.0217202200000000, 0.1650052900000000 ] - [ 0.0004865000000000, -0.0001421500000000, -0.0003990800000000 ] - [ 0.0019165100000000, 0.0003753500000000, -0.0017644700000000 ] - [ -0.0006887900000000, 0.0001285000000000, -0.0000497300000000 ] - [ 0.0002549600000000, -0.0003262900000000, 0.0008575900000000 ] - [ 0.0003973300000000, 0.0005700800000000, 0.0004895300000000 ] - [ 0.0005252300000000, -0.0001140200000000, -0.0003486300000000 ] - [ 0.0009236500000000, -0.0003780800000000, -0.0007613500000000 ] - [ -0.0003474000000000, -0.0052946400000000, -0.0015502400000000 ] - [ -0.0001871200000000, 0.0004000200000000, -0.0002254100000000 ] - [ 0.0009904300000000, -0.0003653000000000, -0.0022815800000000 ] - [ -0.0003166800000000, 0.0001167500000000, 0.0000437300000000 ] - [ 0.0002550700000000, 0.0003975100000000, 0.0000907800000000 ] - [ 0.0001167300000000, 0.0001948300000000, 0.0000869100000000 ] - [ 0.0000129000000000, 0.0002331200000000, -0.0001215500000000 ] - [ 0.0005237400000000, -0.0002040000000000, -0.0002103000000000 ] - [ 0.0001461300000000, 0.0008245700000000, -0.0010980900000000 ] - [ 0.0001394900000000, 0.0005130500000000, -0.0007564200000000 ] - [ -0.0084366800000000, -0.0052145800000000, -0.0028645700000000 ] - [ 0.0005949600000000, -0.0001922900000000, -0.0000896200000000 ] - [ -0.0003877700000000, -0.0002215700000000, -0.0003952700000000 ] - [ -0.0005845000000000, -0.0002238300000000, -0.0001919300000000 ] - [ -0.0000684900000000, -0.0002118500000000, 0.0014958700000000 ] - [ 0.0000464900000000, 0.0005127600000000, 0.0006795400000000 ] - [ 0.0006725200000000, -0.0002912800000000, 0.0020285700000000 ] - [ -0.0012734000000000, -0.0003329300000000, 0.0021801500000000 ] - [ -0.0011272600000000, -0.0016386900000000, -0.0006847700000000 ] - [ 0.0001253700000000, 0.0002254300000000, -0.0012051400000000 ] - [ -0.0019208900000000, 0.0010793700000000, 0.0040777700000000 ] - [ 0.0007935400000000, -0.0001540000000000, -0.0004675200000000 ] - [ 0.0006535600000000, 0.0022449900000000, -0.0006633700000000 ] - [ -0.0001998200000000, -0.0001297900000000, 0.0001892700000000 ] - [ 0.2728773100000000, -0.0263295400000000, -0.2118710100000000 ] - [ -0.0014463800000000, -0.0001952500000000, 0.0003016600000000 ] - [ -0.0022443800000000, 0.0004864600000000, 0.0038209800000000 ] - [ 0.0013721000000000, 0.0001101000000000, 0.0005793500000000 ] - [ 0.0015188100000000, 0.0013720700000000, -0.0031983000000000 ] - [ -0.0014700700000000, -0.0004414900000000, -0.0006045800000000 ] - [ -0.0007435600000000, -0.0001448800000000, 0.0012244700000000 ] - [ 0.0010678500000000, 0.0026192400000000, 0.0009872600000000 ] - [ -0.0331885000000000, 0.0033895600000000, 0.0244559900000000 ] - [ -0.0016307700000000, -0.0005190400000000, -0.0021228900000000 ] - [ -0.0017053600000000, -0.0022909900000000, 0.0060565400000000 ] - [ 0.0002530000000000, 0.0002362800000000, 0.0005636900000000 ] - [ -0.0007884000000000, 0.0012676500000000, -0.0006544300000000 ] - [ 0.0001364600000000, -0.0009970600000000, -0.0032900200000000 ] - [ 0.0008120600000000, -0.0002935000000000, 0.0006147100000000 ] - [ -0.0008893700000000, -0.0001415500000000, 0.0013213800000000 ] - [ -0.0018940100000000, -0.0005154900000000, 0.0032393900000000 ] - [ 0.0024676400000000, -0.0006170300000000, 0.0004664200000000 ] - [ 0.0095711800000000, 0.0051708800000000, 0.0049591200000000 ] - [ -0.0025593200000000, 0.0000195500000000, 0.0009573600000000 ] - [ -0.0008258500000000, -0.0007539600000000, 0.0018505000000000 ] - [ 0.0010382800000000, -0.0003649800000000, 0.0000312800000000 ] - [ 0.0001976500000000, 0.0019165100000000, -0.0026270000000000 ] - [ -0.0005943800000000, 0.0001485300000000, -0.0008093900000000 ]- atom: 57 displacement: [ 0.0052559485207597, 0.0000000000000000, -0.0085073500660972 ] forces: - [ 0.0041255600000000, -0.0015021700000000, -0.0059878300000000 ] - [ -0.0012147100000000, 0.0002144100000000, -0.0002322000000000 ] - [ -0.0018313000000000, 0.0001211400000000, 0.0016103500000000 ] - [ 0.0012556700000000, -0.0001243900000000, -0.0006650000000000 ] - [ 0.0087945000000000, 0.0000019200000000, -0.0052041300000000 ] - [ -0.0033694600000000, -0.0003793400000000, -0.0041688600000000 ] - [ 0.0003361900000000, 0.0008825700000000, 0.0045640000000000 ] - [ 0.0003993700000000, -0.0001962400000000, 0.0022526800000000 ] - [ -0.0013990400000000, 0.0004888000000000, 0.0012121200000000 ] - [ 0.0015213500000000, -0.0017706900000000, -0.0073319000000000 ] - [ 0.0017806900000000, 0.0006702100000000, -0.0009695200000000 ] - [ -0.0029332500000000, 0.0020083600000000, 0.0012247300000000 ] - [ -0.0042682200000000, -0.0018266100000000, 0.0054704000000000 ] - [ 0.0024933300000000, -0.0007644600000000, -0.0001465200000000 ] - [ 0.0035280200000000, -0.0008628200000000, -0.0057980400000000 ] - [ -0.0015518700000000, -0.0002950500000000, 0.0005050900000000 ] - [ -0.0001962400000000, -0.0003323200000000, 0.0004680700000000 ] - [ 0.0003644800000000, -0.0000830000000000, 0.0000707300000000 ] - [ -0.0002901700000000, -0.0000784600000000, -0.0005539400000000 ] - [ -0.0004703200000000, 0.0001179900000000, -0.0000783400000000 ] - [ -0.0004861200000000, -0.0001248200000000, 0.0006158500000000 ] - [ 0.0008644700000000, 0.0004335800000000, 0.0000751700000000 ] - [ 0.0007654400000000, 0.0007686800000000, 0.0002365700000000 ] - [ -0.0004385600000000, 0.0001545900000000, 0.0002544400000000 ] - [ 0.2457569800000000, -0.0241542100000000, -0.1756423200000000 ] - [ -0.0011679700000000, -0.0001234200000000, 0.0002900700000000 ] - [ -0.0025879800000000, -0.0001087400000000, 0.0016465800000000 ] - [ 0.0000020000000000, 0.0001366400000000, -0.0000586000000000 ] - [ 0.0004260400000000, 0.0005869700000000, -0.0007420000000000 ] - [ 0.0002899700000000, -0.0003027400000000, -0.0003820500000000 ] - [ 0.0001620800000000, -0.0001516800000000, 0.0004553300000000 ] - [ -0.0002387600000000, 0.0001118200000000, 0.0008661700000000 ] - [ -0.0002568100000000, 0.0051646600000000, 0.0014233100000000 ] - [ -0.0003839800000000, -0.0005000800000000, 0.0000968700000000 ] - [ -0.0015516300000000, 0.0004637300000000, 0.0021325400000000 ] - [ -0.0002553500000000, -0.0000142800000000, -0.0001714100000000 ] - [ 0.0003163200000000, -0.0002927500000000, 0.0000376500000000 ] - [ 0.0004565200000000, -0.0000911800000000, 0.0000408900000000 ] - [ 0.0005600900000000, -0.0003348600000000, 0.0002501200000000 ] - [ 0.0000486100000000, 0.0001009800000000, 0.0003371500000000 ] - [ 0.0003693000000000, -0.0001212900000000, 0.0004415800000000 ] - [ 0.0003781600000000, 0.0001845000000000, 0.0001047300000000 ] - [ 0.0091097200000000, 0.0045395000000000, 0.0021307000000000 ] - [ -0.0000775900000000, -0.0005069100000000, -0.0005602300000000 ] - [ -0.0001298600000000, -0.0004779400000000, 0.0010441100000000 ] - [ 0.0000690300000000, -0.0004778900000000, 0.0008431400000000 ] - [ -0.0004499800000000, 0.0009167600000000, -0.0008416600000000 ] - [ -0.0005606700000000, 0.0001877700000000, -0.0000271900000000 ] - [ -0.0012286800000000, 0.0003709900000000, -0.0021720600000000 ] - [ 0.0007100400000000, 0.0004149800000000, -0.0023214100000000 ] - [ 0.0005692500000000, 0.0015473700000000, 0.0005394500000000 ] - [ -0.0006920900000000, -0.0003037200000000, 0.0010615600000000 ] - [ 0.0024627200000000, -0.0011490100000000, -0.0039032700000000 ] - [ -0.0002382900000000, 0.0000697800000000, 0.0006068500000000 ] - [ -0.0000786000000000, -0.0021293800000000, 0.0008080800000000 ] - [ 0.0007530300000000, 0.0002112000000000, -0.0000473900000000 ] - [ -0.2915567300000000, 0.0278866400000000, 0.2226668500000000 ] - [ 0.0018417100000000, -0.0001539900000000, -0.0000553800000000 ] - [ 0.0026341900000000, -0.0001351800000000, -0.0035539900000000 ] - [ -0.0009655700000000, 0.0002404000000000, -0.0003352500000000 ] - [ -0.0018987100000000, -0.0010367600000000, 0.0029558600000000 ] - [ 0.0010583500000000, 0.0007867200000000, 0.0003573000000000 ] - [ 0.0003354300000000, -0.0002036700000000, -0.0014680900000000 ] - [ -0.0014679900000000, -0.0029420200000000, -0.0012444600000000 ] - [ 0.0332891500000000, -0.0038562100000000, -0.0241388500000000 ] - [ 0.0015079800000000, 0.0000711000000000, 0.0025001700000000 ] - [ 0.0015847200000000, 0.0027090700000000, -0.0056052100000000 ] - [ -0.0003643500000000, 0.0002112900000000, -0.0001661100000000 ] - [ 0.0008967100000000, -0.0008118800000000, 0.0002516300000000 ] - [ -0.0000260800000000, 0.0014409000000000, 0.0028899200000000 ] - [ -0.0007040000000000, -0.0001536600000000, -0.0010133700000000 ] - [ 0.0009987400000000, -0.0003069400000000, -0.0017144900000000 ] - [ 0.0016226900000000, 0.0011678600000000, -0.0022163400000000 ] - [ -0.0027347400000000, 0.0012697100000000, 0.0005351800000000 ] - [ -0.0099115100000000, -0.0058510700000000, -0.0039064100000000 ] - [ 0.0022839900000000, -0.0006752300000000, 0.0000594700000000 ] - [ 0.0010939900000000, 0.0000931400000000, -0.0028571800000000 ] - [ -0.0007722600000000, -0.0002915100000000, -0.0010475400000000 ] - [ 0.0000791600000000, -0.0012571600000000, 0.0016031000000000 ] - [ 0.0008537400000000, 0.0005089800000000, -0.0002080200000000 ]- atom: 65 displacement: [ 0.0099987479920404, 0.0000000000000000, -0.0001582358735165 ] forces: - [ 0.0047681300000000, 0.0032617500000000, -0.0010100200000000 ] - [ -0.0023475000000000, -0.0004474300000000, -0.0004020500000000 ] - [ 0.0000074900000000, -0.0000360800000000, 0.0010953800000000 ] - [ -0.0001122700000000, -0.0002207800000000, -0.0017546300000000 ] - [ -0.0046449200000000, -0.0000257500000000, 0.0016570300000000 ] - [ 0.0075305900000000, -0.0012698700000000, 0.0021197800000000 ] - [ 0.0006246500000000, -0.0019718900000000, -0.0047358300000000 ] - [ -0.0012527500000000, 0.0005712300000000, 0.0020280700000000 ] - [ -0.0015311700000000, -0.0001020200000000, -0.0015012000000000 ] - [ 0.0017943700000000, 0.0016113100000000, 0.0038189700000000 ] - [ -0.0025814200000000, -0.0006583900000000, -0.0006216800000000 ] - [ 0.0026019000000000, 0.0049214700000000, 0.0015809500000000 ] - [ 0.0052847500000000, -0.0006501600000000, 0.0004825100000000 ] - [ -0.0021072400000000, 0.0002856600000000, -0.0016697200000000 ] - [ 0.0036695300000000, -0.0024051400000000, 0.0032561200000000 ] - [ -0.0015376800000000, 0.0004654400000000, -0.0008308200000000 ] - [ 0.0007766600000000, 0.0007690600000000, -0.0008947800000000 ] - [ -0.0003952600000000, -0.0005299200000000, -0.0002116000000000 ] - [ -0.0004860800000000, 0.0001568900000000, -0.0000702300000000 ] - [ -0.0005702700000000, 0.0002694000000000, -0.0002782300000000 ] - [ 0.0003723600000000, 0.0002161200000000, 0.0004557700000000 ] - [ 0.0006394000000000, 0.0001981000000000, -0.0003299100000000 ] - [ -0.0014929800000000, -0.0013260200000000, 0.0000525900000000 ] - [ -0.0011594900000000, 0.0008216800000000, -0.0000553300000000 ] - [ -0.0075790700000000, 0.0020904000000000, 0.0160325200000000 ] - [ -0.0013352000000000, -0.0000871500000000, 0.0006070900000000 ] - [ -0.0012306500000000, 0.0001677100000000, 0.0006055200000000 ] - [ -0.0002669800000000, 0.0001497300000000, -0.0003362500000000 ] - [ -0.0003558500000000, 0.0001873800000000, 0.0005509900000000 ] - [ 0.0013907600000000, -0.0009129500000000, -0.0010227700000000 ] - [ 0.0005871800000000, -0.0001839900000000, -0.0003432600000000 ] - [ -0.0002233000000000, -0.0000687000000000, 0.0006514700000000 ] - [ 0.0696633000000000, 0.1270141600000000, 0.0166885900000000 ] - [ -0.0007261500000000, -0.0002916200000000, -0.0000125300000000 ] - [ -0.0005998100000000, 0.0002685000000000, 0.0006629900000000 ] - [ -0.0005548900000000, 0.0003034700000000, -0.0005379200000000 ] - [ 0.0001097900000000, -0.0001421800000000, 0.0001529800000000 ] - [ 0.0005260900000000, 0.0006273000000000, 0.0002198100000000 ] - [ 0.0000654100000000, 0.0004040700000000, -0.0001199200000000 ] - [ -0.0000389600000000, -0.0002908900000000, 0.0002341200000000 ] - [ 0.0007863600000000, 0.0000840500000000, 0.0001589700000000 ] - [ 0.0000357900000000, 0.0004876100000000, -0.0006377000000000 ] - [ -0.0026219600000000, -0.0016018400000000, -0.0010766000000000 ] - [ -0.0005588300000000, -0.0008143600000000, -0.0009576300000000 ] - [ -0.0001268600000000, -0.0002837100000000, 0.0002705900000000 ] - [ -0.0002053600000000, -0.0004764600000000, 0.0004752700000000 ] - [ -0.0006603800000000, 0.0005917200000000, 0.0004768100000000 ] - [ -0.0007115900000000, -0.0000526200000000, -0.0003845400000000 ] - [ 0.0008117400000000, -0.0014881900000000, 0.0029427600000000 ] - [ 0.0018609600000000, 0.0007629300000000, -0.0012619700000000 ] - [ 0.0007935000000000, 0.0004223300000000, -0.0005680000000000 ] - [ -0.0013632800000000, -0.0021720900000000, 0.0014819800000000 ] - [ 0.0004165500000000, -0.0001894800000000, -0.0032293700000000 ] - [ 0.0008106900000000, 0.0010072300000000, 0.0032761600000000 ] - [ -0.0014722100000000, 0.0103245000000000, 0.0007522400000000 ] - [ 0.0024202900000000, -0.0005076000000000, 0.0001615200000000 ] - [ 0.0235178100000000, -0.0032570700000000, -0.0246670100000000 ] - [ 0.0034733200000000, 0.0000986000000000, 0.0003423100000000 ] - [ -0.0009605300000000, -0.0010308600000000, -0.0026232600000000 ] - [ 0.0008555500000000, 0.0002181200000000, 0.0008821900000000 ] - [ 0.0016223000000000, -0.0003740400000000, 0.0000152300000000 ] - [ 0.0011478300000000, 0.0029273400000000, 0.0008615300000000 ] - [ -0.0005265400000000, 0.0002465900000000, 0.0005557700000000 ] - [ -0.0003933800000000, -0.0005133900000000, -0.0013806200000000 ] - [ -0.1067750200000000, -0.1389763700000000, -0.0122058900000000 ] - [ 0.0020811700000000, -0.0002053000000000, 0.0002407100000000 ] - [ 0.0004699900000000, 0.0003050400000000, -0.0020529200000000 ] - [ 0.0009936000000000, -0.0001331600000000, 0.0017554800000000 ] - [ 0.0013397800000000, 0.0000732100000000, -0.0003911700000000 ] - [ -0.0030257700000000, 0.0015320100000000, 0.0001648800000000 ] - [ 0.0008261600000000, -0.0003340900000000, 0.0009597700000000 ] - [ 0.0006412700000000, 0.0000973500000000, -0.0014833200000000 ] - [ -0.0001612800000000, 0.0004433800000000, 0.0000344500000000 ] - [ -0.0020605800000000, 0.0001505800000000, 0.0012693900000000 ] - [ 0.0038546500000000, 0.0012488300000000, 0.0020937300000000 ] - [ 0.0056588100000000, -0.0025494700000000, -0.0005403000000000 ] - [ -0.0031261000000000, 0.0003228000000000, -0.0002152400000000 ] - [ 0.0010953200000000, -0.0000501800000000, -0.0003472200000000 ] - [ 0.0007838000000000, -0.0001051900000000, -0.0018870500000000 ] - [ 0.0011699700000000, 0.0006314000000000, 0.0005235300000000 ]- atom: 65 displacement: [ -0.0099987479920404, 0.0000000000000000, 0.0001582358735165 ] forces: - [ -0.0048592300000000, -0.0031431300000000, 0.0001600100000000 ] - [ 0.0023005800000000, 0.0005005100000000, -0.0004574900000000 ] - [ -0.0000452000000000, -0.0000244000000000, -0.0019566200000000 ] - [ 0.0000707000000000, 0.0001630300000000, 0.0008954700000000 ] - [ 0.0047005400000000, -0.0000308300000000, -0.0007951700000000 ] - [ -0.0071934500000000, 0.0012508100000000, -0.0009441100000000 ] - [ -0.0006116800000000, 0.0020396800000000, 0.0055811200000000 ] - [ 0.0012901600000000, -0.0005112700000000, -0.0011615200000000 ] - [ 0.0012579500000000, 0.0003815400000000, 0.0015070000000000 ] - [ -0.0020725400000000, -0.0013386400000000, -0.0037998000000000 ] - [ 0.0023015200000000, 0.0003814100000000, 0.0006359000000000 ] - [ -0.0028085800000000, -0.0052315200000000, -0.0015767000000000 ] - [ -0.0048356400000000, 0.0004816200000000, -0.0007035000000000 ] - [ 0.0023712300000000, -0.0005733000000000, 0.0016553900000000 ] - [ -0.0034176600000000, 0.0026846900000000, -0.0032266100000000 ] - [ 0.0018025900000000, -0.0001786600000000, 0.0008109600000000 ] - [ -0.0010790400000000, -0.0010572900000000, 0.0004657100000000 ] - [ 0.0000978700000000, 0.0002393100000000, -0.0002103100000000 ] - [ 0.0001871200000000, 0.0001354300000000, -0.0003525700000000 ] - [ 0.0002772000000000, 0.0000215700000000, -0.0001473200000000 ] - [ -0.0000716400000000, 0.0000757200000000, -0.0000342100000000 ] - [ -0.0003374000000000, 0.0000925900000000, 0.0007487600000000 ] - [ 0.0017714700000000, 0.0010764700000000, 0.0003666500000000 ] - [ 0.0014521700000000, -0.0011064600000000, 0.0004755300000000 ] - [ 0.0067478800000000, -0.0024829300000000, -0.0162348900000000 ] - [ 0.0006475400000000, -0.0001780900000000, -0.0007159800000000 ] - [ 0.0005528600000000, 0.0001027000000000, -0.0007147900000000 ] - [ -0.0004192500000000, 0.0001161800000000, 0.0002278800000000 ] - [ 0.0010404400000000, 0.0000791300000000, -0.0004402300000000 ] - [ -0.0007018700000000, 0.0011670400000000, 0.0011205800000000 ] - [ 0.0001012800000000, -0.0000812200000000, 0.0004481900000000 ] - [ 0.0009103600000000, -0.0001972100000000, -0.0005433800000000 ] - [ -0.0683328400000000, -0.1293106400000000, -0.0170610700000000 ] - [ 0.0001535100000000, 0.0001904300000000, -0.0001156800000000 ] - [ 0.0000301100000000, -0.0001646300000000, -0.0007946500000000 ] - [ -0.0000187300000000, -0.0002006900000000, 0.0004063700000000 ] - [ 0.0004622200000000, 0.0002447900000000, -0.0000254100000000 ] - [ 0.0000475100000000, -0.0005236000000000, -0.0000882700000000 ] - [ 0.0005058100000000, -0.0005073600000000, 0.0002446300000000 ] - [ 0.0006099300000000, 0.0001861900000000, -0.0001062300000000 ] - [ -0.0002723100000000, 0.0006189600000000, -0.0008154800000000 ] - [ 0.0004811800000000, 0.0002128000000000, -0.0000151700000000 ] - [ 0.0031613000000000, 0.0009120800000000, 0.0004161200000000 ] - [ 0.0010725700000000, 0.0001120800000000, 0.0003042300000000 ] - [ -0.0003923000000000, -0.0004168400000000, 0.0003732600000000 ] - [ -0.0003094000000000, -0.0002248400000000, 0.0001768800000000 ] - [ 0.0001420700000000, 0.0001063200000000, 0.0001767500000000 ] - [ 0.0001954100000000, 0.0007498100000000, 0.0010317000000000 ] - [ -0.0013613500000000, 0.0015784700000000, -0.0030852600000000 ] - [ -0.0024176500000000, -0.0006796000000000, 0.0011194300000000 ] - [ -0.0013510300000000, -0.0005076800000000, 0.0004265000000000 ] - [ 0.0007846400000000, 0.0020879100000000, -0.0016283200000000 ] - [ 0.0001361800000000, 0.0001087500000000, 0.0033643100000000 ] - [ -0.0002497900000000, -0.0010811000000000, -0.0031169500000000 ] - [ 0.0021227800000000, -0.0101640100000000, -0.0006104100000000 ] - [ -0.0018534200000000, 0.0005861200000000, -0.0000183700000000 ] - [ -0.0234332600000000, 0.0030035800000000, 0.0253654800000000 ] - [ -0.0030598700000000, -0.0004461200000000, -0.0000929400000000 ] - [ 0.0013468600000000, 0.0013784600000000, 0.0028836600000000 ] - [ -0.0004474900000000, 0.0001309500000000, -0.0006368500000000 ] - [ -0.0020132000000000, 0.0007294600000000, -0.0002654100000000 ] - [ -0.0015373500000000, -0.0025513200000000, -0.0011033800000000 ] - [ 0.0001211800000000, -0.0005968400000000, -0.0007950300000000 ] - [ -0.0000142800000000, 0.0001701600000000, 0.0011291300000000 ] - [ 0.1046705900000000, 0.1404385000000000, 0.0123793200000000 ] - [ -0.0021892500000000, -0.0002422400000000, 0.0001532500000000 ] - [ -0.0005838300000000, 0.0001346100000000, 0.0024533900000000 ] - [ -0.0010971900000000, 0.0005780300000000, -0.0013518300000000 ] - [ -0.0012262800000000, 0.0003759100000000, -0.0000070900000000 ] - [ 0.0031166100000000, -0.0010729500000000, -0.0005614900000000 ] - [ -0.0007081400000000, -0.0001128200000000, -0.0013477900000000 ] - [ -0.0005337800000000, -0.0005404900000000, 0.0010860600000000 ] - [ -0.0001034700000000, 0.0002098600000000, 0.0009893100000000 ] - [ 0.0017885100000000, 0.0005017500000000, -0.0002575500000000 ] - [ -0.0041329800000000, -0.0019372400000000, -0.0010769800000000 ] - [ -0.0058764500000000, 0.0018667600000000, 0.0015438200000000 ] - [ 0.0033799300000000, -0.0009804100000000, -0.0007837400000000 ] - [ -0.0008269700000000, -0.0006054300000000, -0.0006695900000000 ] - [ -0.0005095400000000, 0.0007687800000000, 0.0008580000000000 ] - [ -0.0009050300000000, 0.0000308200000000, -0.0015346000000000 ]- atom: 65 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0015328500000000, -0.0032279200000000, -0.0004939500000000 ] - [ -0.0005753400000000, -0.0001560300000000, -0.0004504100000000 ] - [ -0.0001572200000000, -0.0008007900000000, -0.0004561900000000 ] - [ -0.0000254800000000, -0.0004512500000000, -0.0003679400000000 ] - [ 0.0002187700000000, 0.0004262500000000, 0.0006663700000000 ] - [ 0.0009838200000000, 0.0044312300000000, 0.0016928200000000 ] - [ -0.0013989000000000, 0.0016625800000000, -0.0027611200000000 ] - [ 0.0001285100000000, 0.0003848100000000, 0.0003264500000000 ] - [ -0.0000576000000000, 0.0001863000000000, 0.0001675300000000 ] - [ 0.0000711200000000, 0.0000729900000000, -0.0009215200000000 ] - [ -0.0008399000000000, -0.0007450200000000, 0.0000413500000000 ] - [ 0.0045761200000000, -0.0070007300000000, -0.0023876800000000 ] - [ 0.0009522300000000, 0.0044372900000000, -0.0008230400000000 ] - [ 0.0003608200000000, 0.0003413600000000, 0.0000169700000000 ] - [ -0.0013646000000000, -0.0010541700000000, 0.0047377100000000 ] - [ 0.0002045100000000, 0.0000960300000000, -0.0000505400000000 ] - [ 0.0001530100000000, -0.0004882700000000, 0.0006624300000000 ] - [ -0.0002139400000000, -0.0003309000000000, -0.0002184500000000 ] - [ -0.0001830000000000, 0.0000447200000000, -0.0001202600000000 ] - [ 0.0003883500000000, -0.0000662600000000, -0.0005484900000000 ] - [ 0.0003555700000000, 0.0003762500000000, 0.0003033100000000 ] - [ 0.0002048800000000, 0.0002271600000000, 0.0001331300000000 ] - [ -0.0025753100000000, 0.0019842000000000, 0.0000357800000000 ] - [ 0.0004362100000000, -0.0003707500000000, 0.0002886700000000 ] - [ -0.0002072100000000, 0.0099047600000000, -0.0004552900000000 ] - [ -0.0003192800000000, -0.0000113100000000, -0.0000112400000000 ] - [ 0.0002715000000000, 0.0004884700000000, -0.0000552900000000 ] - [ -0.0003737700000000, 0.0001449100000000, -0.0000579900000000 ] - [ 0.0004169800000000, -0.0000195600000000, -0.0002101200000000 ] - [ -0.0007246200000000, -0.0013917600000000, -0.0005549000000000 ] - [ 0.0004251400000000, -0.0002579500000000, -0.0000309100000000 ] - [ 0.0003894400000000, -0.0001181600000000, 0.0000577500000000 ] - [ 0.1237325500000000, 0.3076155900000000, 0.0378009100000000 ] - [ -0.0002468700000000, 0.0000011900000000, -0.0000506000000000 ] - [ -0.0002723800000000, 0.0004028000000000, -0.0001236600000000 ] - [ -0.0002943400000000, 0.0001463300000000, -0.0001267000000000 ] - [ 0.0002781500000000, -0.0000615200000000, 0.0000480300000000 ] - [ -0.0002726100000000, -0.0012090200000000, 0.0009113900000000 ] - [ 0.0004917400000000, -0.0004717500000000, 0.0001518400000000 ] - [ 0.0001923500000000, -0.0003916900000000, 0.0001851500000000 ] - [ 0.0001074200000000, 0.0006462700000000, -0.0006666800000000 ] - [ 0.0002649700000000, 0.0003669800000000, -0.0003193600000000 ] - [ 0.0002111000000000, 0.0007213100000000, 0.0003030700000000 ] - [ 0.0002037300000000, -0.0000485800000000, 0.0000436400000000 ] - [ 0.0002463100000000, -0.0005209100000000, 0.0003193900000000 ] - [ -0.0002071800000000, -0.0004624700000000, 0.0004229100000000 ] - [ -0.0001564300000000, 0.0001860000000000, 0.0000505300000000 ] - [ -0.0005867500000000, -0.0000680900000000, -0.0003081100000000 ] - [ -0.0014348300000000, -0.0001981000000000, -0.0015546000000000 ] - [ 0.0009453800000000, 0.0003561700000000, -0.0001702600000000 ] - [ -0.0002486400000000, 0.0000640100000000, -0.0001888600000000 ] - [ -0.0019830900000000, 0.0021298000000000, -0.0017483200000000 ] - [ 0.0000161600000000, -0.0001166900000000, -0.0010384800000000 ] - [ 0.0001997300000000, -0.0000543800000000, 0.0000480100000000 ] - [ 0.0125438300000000, 0.0226792900000000, 0.0008449700000000 ] - [ 0.0000419100000000, 0.0002689300000000, -0.0000132500000000 ] - [ -0.0027876300000000, -0.0064755900000000, 0.0024179800000000 ] - [ 0.0002997800000000, -0.0004466900000000, -0.0001565400000000 ] - [ -0.0010217600000000, -0.0005822500000000, 0.0022911900000000 ] - [ 0.0002349300000000, 0.0001077100000000, 0.0001289300000000 ] - [ -0.0015743100000000, 0.0002326300000000, 0.0002590100000000 ] - [ 0.0025371600000000, 0.0036065900000000, 0.0001310500000000 ] - [ -0.0004682400000000, 0.0003930400000000, -0.0002062500000000 ] - [ -0.0004735300000000, 0.0004032700000000, -0.0003891200000000 ] - [ -0.1345461700000000, -0.3439292600000000, -0.0408114800000000 ] - [ -0.0000372800000000, -0.0004483300000000, 0.0000957000000000 ] - [ -0.0001365000000000, -0.0003613100000000, 0.0003050600000000 ] - [ 0.0003074400000000, 0.0000283800000000, 0.0006509100000000 ] - [ -0.0000927700000000, 0.0003589800000000, 0.0000086900000000 ] - [ 0.0013964700000000, 0.0044892600000000, 0.0019796900000000 ] - [ 0.0001692700000000, 0.0005232900000000, 0.0000388700000000 ] - [ -0.0002516000000000, 0.0005010300000000, 0.0002936300000000 ] - [ -0.0001950000000000, -0.0001931200000000, 0.0008877800000000 ] - [ -0.0003027800000000, -0.0003493500000000, 0.0004007100000000 ] - [ 0.0018085500000000, -0.0023877900000000, 0.0004523400000000 ] - [ -0.0021889100000000, -0.0014615100000000, 0.0008020200000000 ] - [ -0.0001307300000000, 0.0026974300000000, -0.0016642000000000 ] - [ 0.0003540400000000, -0.0000232600000000, -0.0006301300000000 ] - [ 0.0002616500000000, 0.0015317900000000, -0.0001974800000000 ] - [ 0.0000120200000000, 0.0010850900000000, -0.0000642200000000 ]- atom: 65 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0016914100000000, 0.0034989100000000, -0.0003769500000000 ] - [ 0.0005240500000000, 0.0002160700000000, -0.0004085200000000 ] - [ 0.0001145000000000, 0.0007470800000000, -0.0003943700000000 ] - [ -0.0000184000000000, 0.0003974600000000, -0.0005008400000000 ] - [ -0.0001965300000000, -0.0004791000000000, 0.0001952800000000 ] - [ -0.0010334500000000, -0.0045144900000000, -0.0009201600000000 ] - [ 0.0014524100000000, -0.0016151600000000, 0.0036058000000000 ] - [ -0.0000926300000000, -0.0003313900000000, 0.0005345700000000 ] - [ -0.0002060700000000, 0.0001022200000000, -0.0001517000000000 ] - [ -0.0003311600000000, 0.0002271300000000, 0.0009449700000000 ] - [ 0.0005688100000000, 0.0004528700000000, -0.0000278900000000 ] - [ -0.0048588300000000, 0.0067495000000000, 0.0024235300000000 ] - [ -0.0006789400000000, -0.0047418300000000, 0.0007963000000000 ] - [ -0.0000933800000000, -0.0006179000000000, -0.0000312100000000 ] - [ 0.0016603500000000, 0.0013239500000000, -0.0047635500000000 ] - [ 0.0000606300000000, 0.0001819200000000, 0.0000362600000000 ] - [ -0.0004461000000000, 0.0002031900000000, -0.0010807000000000 ] - [ -0.0000842000000000, 0.0000423400000000, -0.0002034700000000 ] - [ -0.0001126400000000, 0.0002434200000000, -0.0003015600000000 ] - [ -0.0006923700000000, 0.0003544400000000, 0.0001291100000000 ] - [ -0.0000580900000000, -0.0000857100000000, 0.0001204200000000 ] - [ 0.0000910000000000, 0.0000644800000000, 0.0002915000000000 ] - [ 0.0028423700000000, -0.0022547500000000, 0.0003850200000000 ] - [ -0.0001386500000000, 0.0000790900000000, 0.0001336400000000 ] - [ -0.0006094000000000, -0.0101916300000000, 0.0004458500000000 ] - [ -0.0003681600000000, -0.0002540700000000, -0.0000980400000000 ] - [ -0.0009643200000000, -0.0002242900000000, -0.0000512300000000 ] - [ -0.0003131100000000, 0.0001200300000000, -0.0000501300000000 ] - [ 0.0002702200000000, 0.0002834300000000, 0.0003150400000000 ] - [ 0.0014056100000000, 0.0016496100000000, 0.0006507500000000 ] - [ 0.0002627300000000, -0.0000078500000000, 0.0001378900000000 ] - [ 0.0002943400000000, -0.0001470800000000, 0.0000524100000000 ] - [ -0.1362992400000000, -0.3290301500000000, -0.0414940600000000 ] - [ -0.0003256600000000, -0.0001041000000000, -0.0000774800000000 ] - [ -0.0003005800000000, -0.0003022500000000, -0.0000004400000000 ] - [ -0.0002763100000000, -0.0000458400000000, 0.0000009100000000 ] - [ 0.0002943700000000, 0.0001627700000000, 0.0000798200000000 ] - [ 0.0008466100000000, 0.0013177300000000, -0.0007744000000000 ] - [ 0.0000817700000000, 0.0003716500000000, -0.0000213000000000 ] - [ 0.0003796300000000, 0.0002933100000000, -0.0000569700000000 ] - [ 0.0004104900000000, 0.0000520900000000, 0.0000179900000000 ] - [ 0.0002505400000000, 0.0003317600000000, -0.0003323000000000 ] - [ 0.0002961600000000, -0.0014259100000000, -0.0009616400000000 ] - [ 0.0003129200000000, -0.0006524900000000, -0.0006992300000000 ] - [ -0.0007573400000000, -0.0001793800000000, 0.0003315300000000 ] - [ -0.0003086500000000, -0.0002375000000000, 0.0002277600000000 ] - [ -0.0003561400000000, 0.0005160100000000, 0.0005971200000000 ] - [ 0.0000671500000000, 0.0007685700000000, 0.0009531100000000 ] - [ 0.0008736200000000, 0.0002683400000000, 0.0014089200000000 ] - [ -0.0015048100000000, -0.0002752400000000, 0.0000247000000000 ] - [ -0.0003114000000000, -0.0001411300000000, 0.0000437700000000 ] - [ 0.0014450800000000, -0.0022207900000000, 0.0016323000000000 ] - [ 0.0005444700000000, 0.0000327600000000, 0.0011770800000000 ] - [ 0.0003570800000000, -0.0000403900000000, 0.0000776300000000 ] - [ -0.0120321600000000, -0.0226096400000000, -0.0007174100000000 ] - [ 0.0005179200000000, -0.0001828500000000, 0.0001550600000000 ] - [ 0.0033587400000000, 0.0060935100000000, -0.0023010100000000 ] - [ 0.0000976100000000, 0.0000979000000000, 0.0004091900000000 ] - [ 0.0014308800000000, 0.0009373200000000, -0.0020745800000000 ] - [ 0.0001728100000000, 0.0002443200000000, 0.0001165800000000 ] - [ 0.0011503800000000, 0.0001089000000000, -0.0004983300000000 ] - [ -0.0029045600000000, -0.0032521500000000, -0.0003616000000000 ] - [ 0.0000569200000000, -0.0007397100000000, -0.0000428800000000 ] - [ 0.0000678000000000, -0.0007548900000000, 0.0001431900000000 ] - [ 0.1466189000000000, 0.3646064400000000, 0.0449165200000000 ] - [ -0.0000696000000000, -0.0000005200000000, 0.0003052100000000 ] - [ 0.0000316600000000, 0.0008137100000000, 0.0000821700000000 ] - [ -0.0004168900000000, 0.0004230300000000, -0.0002554800000000 ] - [ 0.0002021600000000, 0.0000872600000000, -0.0004032200000000 ] - [ -0.0012786200000000, -0.0040131200000000, -0.0023389600000000 ] - [ -0.0000608800000000, -0.0009689800000000, -0.0004368800000000 ] - [ 0.0003696300000000, -0.0009529600000000, -0.0007015300000000 ] - [ -0.0000703500000000, 0.0008520900000000, 0.0001231800000000 ] - [ 0.0000397400000000, 0.0010119000000000, 0.0006094500000000 ] - [ -0.0020564100000000, 0.0017294200000000, 0.0005727500000000 ] - [ 0.0019272200000000, 0.0008230000000000, 0.0002184800000000 ] - [ 0.0003907900000000, -0.0033470700000000, 0.0006286000000000 ] - [ -0.0000864900000000, -0.0006348900000000, -0.0003854700000000 ] - [ 0.0000002000000000, -0.0008735600000000, -0.0008119100000000 ] - [ 0.0002637000000000, -0.0004302000000000, -0.0009439400000000 ]- atom: 65 displacement: [ -0.0052559485207597, 0.0000000000000000, 0.0085073500660972 ] forces: - [ -0.0037729400000000, -0.0015334200000000, 0.0050726100000000 ] - [ 0.0015027700000000, 0.0001543100000000, 0.0002115900000000 ] - [ 0.0007977100000000, -0.0003121500000000, -0.0029683800000000 ] - [ -0.0007587300000000, 0.0000419800000000, -0.0007029200000000 ] - [ 0.0050611200000000, 0.0001191000000000, -0.0007946200000000 ] - [ -0.0012166100000000, -0.0001673200000000, 0.0068479200000000 ] - [ -0.0049261900000000, -0.0020048100000000, -0.0004477800000000 ] - [ 0.0018981400000000, -0.0004892000000000, -0.0012598700000000 ] - [ -0.0005854100000000, 0.0000892300000000, -0.0006539500000000 ] - [ -0.0002757800000000, -0.0022240900000000, -0.0053747400000000 ] - [ 0.0009223800000000, 0.0002195400000000, 0.0005565500000000 ] - [ -0.0000002500000000, -0.0050420200000000, 0.0025234500000000 ] - [ -0.0003428900000000, 0.0016813600000000, 0.0030289300000000 ] - [ 0.0002208300000000, -0.0005369900000000, 0.0009678500000000 ] - [ 0.0000174800000000, 0.0058725400000000, -0.0042680700000000 ] - [ 0.0004655200000000, 0.0002033500000000, -0.0002870500000000 ] - [ -0.0010882600000000, 0.0004376300000000, -0.0007508200000000 ] - [ 0.0000700300000000, 0.0004283600000000, -0.0001515000000000 ] - [ 0.0002500200000000, 0.0001171600000000, -0.0003122800000000 ] - [ -0.0004935700000000, 0.0001980300000000, 0.0000854600000000 ] - [ -0.0000176200000000, 0.0001540000000000, -0.0002385300000000 ] - [ -0.0002350900000000, -0.0000790800000000, 0.0001074200000000 ] - [ 0.0005796400000000, 0.0007061400000000, 0.0007362800000000 ] - [ 0.0011540500000000, -0.0008308200000000, 0.0004324500000000 ] - [ 0.0164069100000000, -0.0034076600000000, -0.0103547700000000 ] - [ 0.0001202400000000, -0.0000674100000000, 0.0000425800000000 ] - [ 0.0019561900000000, 0.0007170300000000, -0.0013283300000000 ] - [ -0.0006300700000000, 0.0001672000000000, 0.0000663800000000 ] - [ 0.0008586600000000, 0.0000450000000000, -0.0002501900000000 ] - [ -0.0009821500000000, 0.0003028400000000, 0.0014981200000000 ] - [ -0.0000796200000000, -0.0001654300000000, 0.0002380300000000 ] - [ 0.0013053700000000, -0.0001783600000000, -0.0008314600000000 ] - [ -0.0209108800000000, -0.0320358500000000, 0.0059283800000000 ] - [ 0.0000014800000000, 0.0002426100000000, -0.0000688800000000 ] - [ 0.0002717500000000, -0.0002270000000000, -0.0010245700000000 ] - [ -0.0004273500000000, 0.0002132900000000, -0.0000719600000000 ] - [ 0.0003855700000000, 0.0002171500000000, -0.0000610000000000 ] - [ -0.0000454900000000, -0.0000549200000000, 0.0002161200000000 ] - [ 0.0000898800000000, 0.0004200200000000, 0.0002467700000000 ] - [ 0.0007970000000000, 0.0003025600000000, -0.0001160600000000 ] - [ -0.0003708500000000, 0.0008315100000000, -0.0015485900000000 ] - [ 0.0000773500000000, 0.0006142500000000, -0.0005447400000000 ] - [ 0.0025089100000000, 0.0013829500000000, 0.0029232500000000 ] - [ 0.0005643900000000, 0.0002203600000000, 0.0006903100000000 ] - [ -0.0006760400000000, -0.0004431200000000, -0.0001376600000000 ] - [ -0.0003089300000000, -0.0001293700000000, -0.0000490300000000 ] - [ 0.0000235100000000, -0.0000106000000000, 0.0004538400000000 ] - [ -0.0000052500000000, 0.0006476100000000, 0.0010734800000000 ] - [ 0.0019313400000000, -0.0008879700000000, -0.0000664700000000 ] - [ -0.0040799700000000, -0.0008734600000000, 0.0013943400000000 ] - [ -0.0011332100000000, -0.0005333200000000, 0.0005101900000000 ] - [ 0.0017300400000000, -0.0005908000000000, -0.0012016500000000 ] - [ -0.0005221200000000, 0.0001959300000000, 0.0042449200000000 ] - [ 0.0009154500000000, 0.0001103200000000, 0.0002283200000000 ] - [ 0.0021500100000000, -0.0035806000000000, -0.0052642000000000 ] - [ -0.0012086200000000, 0.0003837300000000, -0.0000203900000000 ] - [ -0.0344839100000000, 0.0043112900000000, 0.0240319300000000 ] - [ 0.0005729000000000, -0.0004783800000000, -0.0009826600000000 ] - [ -0.0018374000000000, 0.0028354600000000, 0.0056914800000000 ] - [ 0.0001707500000000, -0.0000189200000000, 0.0002733600000000 ] - [ -0.0013104600000000, 0.0008722000000000, -0.0007479500000000 ] - [ -0.0007620100000000, -0.0005999200000000, -0.0036001700000000 ] - [ 0.0004474700000000, -0.0000712600000000, 0.0006297900000000 ] - [ -0.0003503200000000, 0.0000279200000000, 0.0018840400000000 ] - [ 0.0439242700000000, 0.0354240900000000, -0.0285793500000000 ] - [ -0.0011549900000000, -0.0003229100000000, -0.0005660900000000 ] - [ -0.0021924600000000, 0.0000819300000000, 0.0036071400000000 ] - [ 0.0007237000000000, 0.0000303800000000, 0.0005775400000000 ] - [ -0.0007781600000000, 0.0004788600000000, 0.0001738700000000 ] - [ 0.0019610100000000, 0.0013543900000000, -0.0009977800000000 ] - [ 0.0006269300000000, -0.0003675800000000, -0.0007876500000000 ] - [ -0.0013262200000000, -0.0008060100000000, 0.0009852300000000 ] - [ 0.0001283900000000, -0.0001491200000000, 0.0025669000000000 ] - [ 0.0008469900000000, 0.0001273300000000, 0.0021440100000000 ] - [ -0.0017898200000000, -0.0019816500000000, -0.0028669700000000 ] - [ -0.0046579200000000, 0.0011506800000000, -0.0008735400000000 ] - [ 0.0026948500000000, -0.0026423100000000, -0.0002094400000000 ] - [ -0.0005977000000000, -0.0008099400000000, -0.0003286100000000 ] - [ -0.0010584000000000, 0.0006088600000000, -0.0000266900000000 ] - [ 0.0002626300000000, -0.0000866900000000, -0.0011734500000000 ]- atom: 65 displacement: [ 0.0052559485207597, 0.0000000000000000, -0.0085073500660972 ] forces: - [ 0.0036891100000000, 0.0016526000000000, -0.0059258000000000 ] - [ -0.0015476300000000, -0.0000995200000000, -0.0010791700000000 ] - [ -0.0008307200000000, 0.0002553400000000, 0.0021127700000000 ] - [ 0.0007120100000000, -0.0000963500000000, -0.0001516600000000 ] - [ -0.0049875900000000, -0.0001717200000000, 0.0016694000000000 ] - [ 0.0013277800000000, 0.0001384500000000, -0.0059670600000000 ] - [ 0.0049775300000000, 0.0020542400000000, 0.0012560700000000 ] - [ -0.0018689300000000, 0.0005508700000000, 0.0021168200000000 ] - [ 0.0003308900000000, 0.0001935500000000, 0.0006616000000000 ] - [ -0.0000227300000000, 0.0024872800000000, 0.0053854800000000 ] - [ -0.0012031500000000, -0.0005043700000000, -0.0005376300000000 ] - [ -0.0002234700000000, 0.0047325800000000, -0.0025560800000000 ] - [ 0.0009443300000000, -0.0017698200000000, -0.0034223800000000 ] - [ 0.0000338700000000, 0.0002549100000000, -0.0009762000000000 ] - [ 0.0002266500000000, -0.0055537600000000, 0.0042823000000000 ] - [ -0.0001867800000000, 0.0000804000000000, 0.0002697400000000 ] - [ 0.0007984900000000, -0.0007235600000000, 0.0003212000000000 ] - [ -0.0003683100000000, -0.0007231900000000, -0.0002736000000000 ] - [ -0.0005470100000000, 0.0001743600000000, -0.0001085500000000 ] - [ 0.0002020000000000, 0.0000897900000000, -0.0005115700000000 ] - [ 0.0003218400000000, 0.0001381300000000, 0.0006626500000000 ] - [ 0.0005286400000000, 0.0003681400000000, 0.0003183700000000 ] - [ -0.0003072600000000, -0.0009762900000000, -0.0003107600000000 ] - [ -0.0008550500000000, 0.0005402100000000, -0.0000109900000000 ] - [ -0.0170414400000000, 0.0029965900000000, 0.0102703300000000 ] - [ -0.0008026200000000, -0.0001985800000000, -0.0001542700000000 ] - [ -0.0026448100000000, -0.0004552600000000, 0.0012165700000000 ] - [ -0.0000582900000000, 0.0000980600000000, -0.0001726800000000 ] - [ -0.0001721900000000, 0.0002191800000000, 0.0003610600000000 ] - [ 0.0016712500000000, -0.0000449400000000, -0.0014037800000000 ] - [ 0.0007700800000000, -0.0000998900000000, -0.0001341100000000 ] - [ -0.0006206300000000, -0.0000878400000000, 0.0009407900000000 ] - [ 0.0219487000000000, 0.0349677100000000, -0.0062040800000000 ] - [ -0.0005730500000000, -0.0003433300000000, -0.0000599400000000 ] - [ -0.0008417800000000, 0.0003303700000000, 0.0008928700000000 ] - [ -0.0001435700000000, -0.0001123100000000, -0.0000545000000000 ] - [ 0.0001875200000000, -0.0001135500000000, 0.0001892800000000 ] - [ 0.0006205800000000, 0.0001554300000000, -0.0000891700000000 ] - [ 0.0004810200000000, -0.0005191800000000, -0.0001200400000000 ] - [ -0.0002293400000000, -0.0004103000000000, 0.0002442800000000 ] - [ 0.0008908400000000, -0.0001313300000000, 0.0009002100000000 ] - [ 0.0004381700000000, 0.0000858000000000, -0.0001063100000000 ] - [ -0.0019944900000000, -0.0020660800000000, -0.0035315700000000 ] - [ -0.0000448600000000, -0.0009215800000000, -0.0013448300000000 ] - [ 0.0001609900000000, -0.0002550900000000, 0.0007855400000000 ] - [ -0.0002083100000000, -0.0005718400000000, 0.0006996900000000 ] - [ -0.0005389900000000, 0.0007069700000000, 0.0002021900000000 ] - [ -0.0005111100000000, 0.0000504700000000, -0.0004285200000000 ] - [ -0.0024802300000000, 0.0009626800000000, -0.0000534400000000 ] - [ 0.0035489500000000, 0.0009589800000000, -0.0015363600000000 ] - [ 0.0005705300000000, 0.0004461000000000, -0.0006568500000000 ] - [ -0.0022931200000000, 0.0005198600000000, 0.0010492800000000 ] - [ 0.0010741800000000, -0.0002762400000000, -0.0041109900000000 ] - [ -0.0003572800000000, -0.0001987200000000, -0.0001026400000000 ] - [ -0.0015234300000000, 0.0037817400000000, 0.0053863500000000 ] - [ 0.0017680400000000, -0.0003010100000000, 0.0001643900000000 ] - [ 0.0341090100000000, -0.0045152600000000, -0.0232671900000000 ] - [ -0.0001808200000000, 0.0001292400000000, 0.0012364900000000 ] - [ 0.0022455800000000, -0.0025175700000000, -0.0054793300000000 ] - [ 0.0002419200000000, 0.0003687100000000, -0.0000297700000000 ] - [ 0.0009115600000000, -0.0005155800000000, 0.0004888700000000 ] - [ 0.0003730500000000, 0.0009665800000000, 0.0033816200000000 ] - [ -0.0008628000000000, -0.0002772400000000, -0.0008709100000000 ] - [ -0.0000466800000000, -0.0003720900000000, -0.0021311000000000 ] - [ -0.0454242700000000, -0.0393013500000000, 0.0290351300000000 ] - [ 0.0010401200000000, -0.0001258700000000, 0.0009574100000000 ] - [ 0.0020881300000000, 0.0003580900000000, -0.0032067100000000 ] - [ -0.0008324700000000, 0.0004188400000000, -0.0001811400000000 ] - [ 0.0008852900000000, -0.0000283700000000, -0.0005725800000000 ] - [ -0.0018615400000000, -0.0009156700000000, 0.0005984400000000 ] - [ -0.0005114000000000, -0.0000820800000000, 0.0003969500000000 ] - [ 0.0014397100000000, 0.0003689000000000, -0.0013787700000000 ] - [ -0.0004069800000000, 0.0008042200000000, -0.0015471200000000 ] - [ -0.0010966100000000, 0.0005295500000000, -0.0011372200000000 ] - [ 0.0015471700000000, 0.0013033600000000, 0.0038537600000000 ] - [ 0.0043960000000000, -0.0018180600000000, 0.0019104000000000 ] - [ -0.0024528300000000, 0.0019979000000000, -0.0007922400000000 ] - [ 0.0008733700000000, 0.0001559000000000, -0.0006865800000000 ] - [ 0.0013304400000000, 0.0000553400000000, -0.0010061400000000 ] - [ -0.0000007400000000, 0.0007473700000000, 0.0001640400000000 ]- atom: 73 displacement: [ 0.0099987479920404, 0.0000000000000000, -0.0001582358735165 ] forces: - [ 0.0000023000000000, -0.0001121500000000, 0.0011640400000000 ] - [ -0.0000338600000000, 0.0000490000000000, -0.0026490400000000 ] - [ 0.0025869500000000, 0.0002222000000000, -0.0004581000000000 ] - [ -0.0027486500000000, -0.0000219800000000, 0.0001189500000000 ] - [ 0.0064745500000000, -0.0002973800000000, 0.0015417000000000 ] - [ -0.0023341800000000, -0.0000681200000000, -0.0009642900000000 ] - [ 0.0040379700000000, -0.0015486800000000, 0.0055020500000000 ] - [ -0.0022756200000000, 0.0003357500000000, -0.0008684200000000 ] - [ 0.0102826100000000, -0.0075733900000000, 0.0000932000000000 ] - [ -0.0045156200000000, -0.0005249000000000, 0.0008640000000000 ] - [ 0.0001257900000000, -0.0001643400000000, 0.0014442600000000 ] - [ -0.0003758200000000, 0.0006298100000000, -0.0024012400000000 ] - [ -0.0003169000000000, -0.0015101700000000, -0.0045102300000000 ] - [ -0.0009512300000000, -0.0000371400000000, 0.0021043400000000 ] - [ -0.0018779100000000, 0.0005890700000000, 0.0009471600000000 ] - [ 0.0048963400000000, 0.0000470100000000, -0.0011175400000000 ] - [ 0.0011805200000000, 0.0006218600000000, 0.0004477700000000 ] - [ -0.0006349600000000, -0.0004096000000000, -0.0002912100000000 ] - [ -0.0002718300000000, 0.0000954500000000, -0.0000397200000000 ] - [ -0.0011828600000000, 0.0006126500000000, -0.0005687600000000 ] - [ -0.0054210600000000, -0.0101666800000000, -0.0030761900000000 ] - [ -0.0006934000000000, -0.0002367000000000, -0.0000300100000000 ] - [ 0.0000026900000000, -0.0001215500000000, 0.0007122400000000 ] - [ -0.0002966100000000, 0.0000527700000000, -0.0003006700000000 ] - [ -0.0007368600000000, -0.0001061300000000, 0.0003190100000000 ] - [ 0.0006816400000000, -0.0000450500000000, -0.0016511000000000 ] - [ -0.0025307500000000, 0.0009426400000000, -0.0008004900000000 ] - [ -0.0020556100000000, 0.0000555400000000, 0.0015961700000000 ] - [ 0.0012513600000000, -0.0002159900000000, -0.0003137600000000 ] - [ 0.0001054100000000, 0.0001929500000000, 0.0000166900000000 ] - [ 0.0000645400000000, -0.0000816000000000, 0.0005487100000000 ] - [ -0.0001371800000000, -0.0001517200000000, 0.0002512300000000 ] - [ -0.0000724200000000, 0.0001067900000000, 0.0000306100000000 ] - [ -0.0001716800000000, 0.0001961200000000, -0.0003611300000000 ] - [ -0.0025376800000000, 0.0014232100000000, -0.0004208600000000 ] - [ -0.0015799400000000, 0.0006214200000000, -0.0000074700000000 ] - [ 0.0010430500000000, 0.0006955900000000, 0.0002615800000000 ] - [ 0.0000163900000000, -0.0001561600000000, -0.0000795600000000 ] - [ 0.0001911400000000, 0.0004294900000000, 0.0003404900000000 ] - [ -0.0000390200000000, -0.0000715700000000, -0.0002112400000000 ] - [ 0.1435324800000000, -0.1094477300000000, 0.1408654200000000 ] - [ -0.0002474900000000, 0.0003565200000000, -0.0005183900000000 ] - [ 0.0001570200000000, -0.0000762500000000, 0.0004011500000000 ] - [ -0.0003798600000000, -0.0009063100000000, -0.0014870500000000 ] - [ 0.0007926600000000, -0.0006060700000000, 0.0011469700000000 ] - [ -0.0006680900000000, -0.0003137500000000, 0.0000706900000000 ] - [ -0.0000824600000000, 0.0003224700000000, 0.0008733200000000 ] - [ -0.0007556100000000, -0.0000463500000000, -0.0007522400000000 ] - [ -0.0000278300000000, -0.0015947900000000, -0.0037897300000000 ] - [ 0.0011321100000000, 0.0001495000000000, 0.0008969100000000 ] - [ -0.0024028300000000, -0.0026163600000000, -0.0022268200000000 ] - [ 0.0013870900000000, -0.0001261900000000, 0.0007968200000000 ] - [ 0.0176883600000000, 0.0134966100000000, 0.0028748200000000 ] - [ 0.0032788600000000, 0.0000103600000000, -0.0003425000000000 ] - [ -0.0003811800000000, 0.0003488900000000, -0.0013926500000000 ] - [ 0.0001735500000000, -0.0002362700000000, 0.0022704800000000 ] - [ 0.0016123200000000, -0.0003839100000000, -0.0011246700000000 ] - [ 0.0022030200000000, -0.0002990000000000, 0.0044096100000000 ] - [ 0.0017371900000000, -0.0063119600000000, 0.0124334000000000 ] - [ 0.0024247500000000, 0.0002215400000000, -0.0013515600000000 ] - [ -0.0008202600000000, 0.0017555800000000, -0.0016787300000000 ] - [ 0.0009904400000000, 0.0003073300000000, 0.0016652900000000 ] - [ -0.0032832500000000, -0.0000549400000000, -0.0019171800000000 ] - [ 0.0014047500000000, 0.0000716100000000, 0.0000276000000000 ] - [ -0.0000721200000000, -0.0002941600000000, 0.0004591700000000 ] - [ -0.0019911800000000, -0.0003944800000000, 0.0001116400000000 ] - [ 0.0039317500000000, -0.0017159900000000, 0.0007738800000000 ] - [ 0.0056796200000000, 0.0022728200000000, -0.0015309800000000 ] - [ -0.0031811800000000, -0.0000241100000000, 0.0008233600000000 ] - [ 0.0010094000000000, 0.0004470300000000, -0.0004802400000000 ] - [ 0.0007109700000000, -0.0003478600000000, -0.0012055900000000 ] - [ 0.0010859600000000, -0.0000872300000000, 0.0006113600000000 ] - [ -0.1829074900000000, 0.1223439200000000, -0.1490730900000000 ] - [ 0.0020030500000000, 0.0002988400000000, 0.0007551900000000 ] - [ 0.0010114000000000, -0.0012656200000000, -0.0024070000000000 ] - [ 0.0012288400000000, -0.0000480900000000, 0.0024047400000000 ] - [ -0.0021701100000000, -0.0001851000000000, -0.0005481600000000 ] - [ 0.0009694000000000, -0.0002119600000000, -0.0003976000000000 ] - [ 0.0006421500000000, 0.0009435600000000, -0.0017271500000000 ] - [ 0.0034322000000000, -0.0000504300000000, 0.0020962600000000 ]- atom: 73 displacement: [ -0.0099987479920404, 0.0000000000000000, 0.0001582358735165 ] forces: - [ -0.0000475700000000, 0.0001688400000000, -0.0020159500000000 ] - [ -0.0000082200000000, 0.0000046900000000, 0.0017953100000000 ] - [ -0.0026044600000000, -0.0002904800000000, -0.0004219600000000 ] - [ 0.0027160600000000, -0.0000362900000000, -0.0009815300000000 ] - [ -0.0063374600000000, 0.0002564600000000, -0.0008267300000000 ] - [ 0.0023846900000000, 0.0000140600000000, 0.0018328800000000 ] - [ -0.0040802400000000, 0.0015668200000000, -0.0045660400000000 ] - [ 0.0023241200000000, -0.0002780900000000, 0.0017209800000000 ] - [ -0.0108993600000000, 0.0083139200000000, -0.0001453100000000 ] - [ 0.0042308400000000, 0.0008063400000000, -0.0008408400000000 ] - [ -0.0003988000000000, -0.0001200200000000, -0.0014340400000000 ] - [ 0.0001193700000000, -0.0009263300000000, 0.0024401500000000 ] - [ 0.0006076900000000, 0.0012509400000000, 0.0044901800000000 ] - [ 0.0012126600000000, -0.0002457000000000, -0.0021232400000000 ] - [ 0.0021440600000000, -0.0003057200000000, -0.0009521800000000 ] - [ -0.0047088100000000, 0.0001144400000000, 0.0010006600000000 ] - [ -0.0014826800000000, -0.0009043800000000, -0.0008630300000000 ] - [ 0.0003377200000000, 0.0001189600000000, -0.0001310500000000 ] - [ -0.0000201100000000, 0.0001966100000000, -0.0003777400000000 ] - [ 0.0008901100000000, -0.0003244200000000, 0.0001475000000000 ] - [ 0.0057870400000000, 0.0103015400000000, 0.0035216000000000 ] - [ 0.0009923300000000, 0.0005266500000000, 0.0004523000000000 ] - [ 0.0002953800000000, -0.0001692400000000, -0.0002894400000000 ] - [ 0.0005977000000000, -0.0003444800000000, 0.0007240700000000 ] - [ 0.0000469200000000, -0.0001588400000000, -0.0004278000000000 ] - [ -0.0013705400000000, -0.0002204100000000, 0.0015503400000000 ] - [ 0.0018729500000000, -0.0006659400000000, 0.0006496000000000 ] - [ 0.0013762700000000, 0.0002099100000000, -0.0017141800000000 ] - [ -0.0005618300000000, 0.0004794700000000, 0.0004199600000000 ] - [ 0.0005796300000000, 0.0000719000000000, 0.0000938900000000 ] - [ 0.0006173700000000, -0.0001854000000000, -0.0004432100000000 ] - [ 0.0008262300000000, -0.0001134600000000, -0.0001467400000000 ] - [ -0.0005012300000000, -0.0002087000000000, -0.0001557400000000 ] - [ -0.0004009200000000, -0.0002961500000000, 0.0002336300000000 ] - [ 0.0019396000000000, -0.0013198600000000, 0.0002831400000000 ] - [ 0.0010165200000000, -0.0005196300000000, -0.0001213400000000 ] - [ -0.0004708100000000, -0.0005926800000000, -0.0001322700000000 ] - [ 0.0005564200000000, 0.0002581800000000, 0.0002081900000000 ] - [ 0.0003796700000000, -0.0005278100000000, -0.0002146100000000 ] - [ 0.0006105600000000, -0.0000324700000000, 0.0003370300000000 ] - [ -0.1412981700000000, 0.1050328000000000, -0.1347260800000000 ] - [ 0.0007643500000000, 0.0003439100000000, -0.0001341400000000 ] - [ 0.0003627500000000, -0.0006223700000000, -0.0010512700000000 ] - [ 0.0008992600000000, 0.0002107800000000, 0.0008416800000000 ] - [ -0.0013115200000000, -0.0000915500000000, -0.0004990500000000 ] - [ 0.0001530700000000, -0.0003864300000000, 0.0005796200000000 ] - [ -0.0004322700000000, 0.0003773600000000, -0.0002206300000000 ] - [ 0.0002412100000000, 0.0007493800000000, 0.0014043700000000 ] - [ -0.0005120800000000, 0.0016691000000000, 0.0036531100000000 ] - [ -0.0016937900000000, -0.0000658700000000, -0.0010345700000000 ] - [ 0.0018251900000000, 0.0025364700000000, 0.0020815800000000 ] - [ -0.0019506900000000, 0.0000434000000000, -0.0009477600000000 ] - [ -0.0168490500000000, -0.0132728100000000, -0.0026934100000000 ] - [ -0.0027289000000000, -0.0000936800000000, 0.0004868900000000 ] - [ 0.0009433200000000, -0.0002646600000000, 0.0015282200000000 ] - [ 0.0003835800000000, 0.0003209900000000, -0.0021309800000000 ] - [ -0.0012155800000000, 0.0000332800000000, 0.0013622700000000 ] - [ -0.0018175700000000, -0.0000521400000000, -0.0041918200000000 ] - [ -0.0014361200000000, 0.0067022900000000, -0.0122608000000000 ] - [ -0.0020242900000000, 0.0001282000000000, 0.0016073100000000 ] - [ 0.0004178400000000, -0.0013984900000000, 0.0014303300000000 ] - [ -0.0014016200000000, 0.0000470300000000, -0.0019207800000000 ] - [ 0.0028976100000000, -0.0002733200000000, 0.0016835200000000 ] - [ -0.0018132200000000, -0.0004199800000000, -0.0002704900000000 ] - [ -0.0000375100000000, -0.0001567100000000, -0.0000724900000000 ] - [ 0.0018847600000000, -0.0000551400000000, 0.0002829700000000 ] - [ -0.0040231700000000, 0.0021490200000000, -0.0003439200000000 ] - [ -0.0058332800000000, -0.0018526800000000, 0.0019455400000000 ] - [ 0.0033015900000000, 0.0004604300000000, -0.0012097100000000 ] - [ -0.0008997800000000, 0.0000019800000000, 0.0000762200000000 ] - [ -0.0005937200000000, -0.0000957500000000, 0.0008143900000000 ] - [ -0.0009831900000000, -0.0003520800000000, -0.0010006900000000 ] - [ 0.1810835700000000, -0.1170920900000000, 0.1435802500000000 ] - [ -0.0022690800000000, 0.0003550800000000, 0.0002591800000000 ] - [ -0.0012731500000000, 0.0006062700000000, 0.0034172600000000 ] - [ -0.0015066400000000, -0.0006164900000000, -0.0013998400000000 ] - [ 0.0024375100000000, -0.0004756300000000, -0.0004678100000000 ] - [ -0.0007027400000000, -0.0004451600000000, -0.0006153100000000 ] - [ -0.0003788000000000, -0.0002813000000000, 0.0007061700000000 ] - [ -0.0031785100000000, 0.0007233200000000, -0.0031257900000000 ]- atom: 73 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001585100000000, -0.0004177200000000, -0.0006368400000000 ] - [ 0.0002869700000000, -0.0006965100000000, 0.0001310100000000 ] - [ 0.0025550400000000, -0.0075301400000000, -0.0003446300000000 ] - [ 0.0000081000000000, -0.0010862600000000, -0.0005701200000000 ] - [ 0.0010189300000000, 0.0054807900000000, 0.0001831200000000 ] - [ 0.0002384100000000, 0.0005174600000000, 0.0008238800000000 ] - [ -0.0028351900000000, 0.0032056500000000, 0.0042159600000000 ] - [ 0.0003966900000000, 0.0003485500000000, 0.0000951200000000 ] - [ -0.0077211400000000, 0.0104066700000000, -0.0005660600000000 ] - [ -0.0020791400000000, -0.0001389500000000, 0.0006427000000000 ] - [ -0.0001102400000000, -0.0005752500000000, -0.0005862500000000 ] - [ 0.0002922800000000, -0.0014058800000000, 0.0013437400000000 ] - [ -0.0003790000000000, 0.0019677500000000, -0.0023582700000000 ] - [ 0.0004281200000000, 0.0003092500000000, -0.0002563300000000 ] - [ 0.0003402400000000, 0.0002292100000000, 0.0001606200000000 ] - [ -0.0015712400000000, 0.0020339300000000, -0.0011727700000000 ] - [ -0.0002908500000000, -0.0010359100000000, -0.0013588000000000 ] - [ -0.0002321800000000, -0.0002524400000000, -0.0001908200000000 ] - [ 0.0007295400000000, -0.0002095700000000, 0.0004634200000000 ] - [ 0.0000007000000000, -0.0000715500000000, -0.0002169700000000 ] - [ -0.0101555900000000, -0.0007761300000000, -0.0017278800000000 ] - [ 0.0002261400000000, 0.0003802000000000, 0.0004435500000000 ] - [ 0.0000403800000000, -0.0000976600000000, 0.0004235400000000 ] - [ -0.0000939000000000, 0.0000471800000000, -0.0000275200000000 ] - [ -0.0005571900000000, -0.0000817000000000, 0.0002209100000000 ] - [ -0.0003794100000000, 0.0001052600000000, 0.0004394300000000 ] - [ 0.0022754500000000, 0.0005347500000000, -0.0010648800000000 ] - [ -0.0008712700000000, 0.0000919500000000, 0.0003353200000000 ] - [ -0.0002581800000000, 0.0000828600000000, 0.0005481400000000 ] - [ 0.0002009800000000, 0.0000965100000000, 0.0001734600000000 ] - [ -0.0003177500000000, -0.0001918700000000, 0.0003299700000000 ] - [ 0.0004573300000000, -0.0002009100000000, -0.0000914200000000 ] - [ -0.0003449700000000, 0.0001014300000000, 0.0002136600000000 ] - [ -0.0002351300000000, 0.0003852700000000, -0.0001935300000000 ] - [ -0.0007402500000000, 0.0029015800000000, -0.0001863300000000 ] - [ -0.0001562900000000, 0.0010090300000000, -0.0002077200000000 ] - [ -0.0001846800000000, -0.0015200800000000, -0.0002085400000000 ] - [ 0.0002607400000000, -0.0000998600000000, 0.0000793600000000 ] - [ 0.0004897500000000, -0.0007220000000000, 0.0000424900000000 ] - [ 0.0001887900000000, -0.0002891400000000, -0.0000956800000000 ] - [ -0.1079752300000000, 0.1025619500000000, -0.1148192100000000 ] - [ 0.0001496400000000, 0.0004910000000000, -0.0004921700000000 ] - [ 0.0003150500000000, -0.0001083500000000, -0.0000677400000000 ] - [ 0.0004490800000000, 0.0000498800000000, 0.0000121100000000 ] - [ 0.0001107000000000, -0.0012699200000000, 0.0006758800000000 ] - [ -0.0002703700000000, -0.0004056400000000, 0.0002542300000000 ] - [ -0.0002545900000000, -0.0000183100000000, 0.0004546700000000 ] - [ -0.0000860900000000, 0.0007405200000000, 0.0000773000000000 ] - [ -0.0015188900000000, 0.0001475800000000, 0.0027884300000000 ] - [ 0.0000227400000000, 0.0000617700000000, 0.0003147200000000 ] - [ -0.0030978200000000, 0.0032797300000000, 0.0034634700000000 ] - [ -0.0003838100000000, 0.0000986100000000, -0.0003546800000000 ] - [ 0.0164715700000000, 0.0052224700000000, 0.0017397800000000 ] - [ -0.0017196100000000, -0.0010123400000000, 0.0004108300000000 ] - [ 0.0002833000000000, 0.0004167300000000, -0.0008074500000000 ] - [ 0.0001534000000000, 0.0000718400000000, 0.0018357700000000 ] - [ 0.0008310300000000, -0.0005520400000000, -0.0004746700000000 ] - [ -0.0009446500000000, -0.0024337200000000, -0.0017026200000000 ] - [ -0.0074388100000000, 0.0015728200000000, -0.0110942600000000 ] - [ 0.0007243900000000, -0.0000289600000000, 0.0000350000000000 ] - [ 0.0001656600000000, 0.0003988600000000, -0.0003940800000000 ] - [ -0.0003007900000000, 0.0006741800000000, -0.0002294100000000 ] - [ 0.0014899200000000, 0.0059814300000000, -0.0009207200000000 ] - [ -0.0002084600000000, 0.0002219600000000, 0.0000879500000000 ] - [ 0.0000541900000000, -0.0007468900000000, -0.0002980100000000 ] - [ -0.0002315200000000, -0.0009041900000000, -0.0001481500000000 ] - [ -0.0016401400000000, -0.0018335100000000, 0.0011624100000000 ] - [ 0.0021607700000000, -0.0009099500000000, -0.0001855000000000 ] - [ 0.0006758500000000, 0.0032499500000000, -0.0025577900000000 ] - [ 0.0003252400000000, 0.0005305300000000, -0.0005998800000000 ] - [ 0.0004878500000000, 0.0009821200000000, -0.0002461300000000 ] - [ -0.0002424200000000, 0.0005373600000000, 0.0001118300000000 ] - [ 0.1199361700000000, -0.1346854600000000, 0.1258396400000000 ] - [ -0.0001620500000000, -0.0003651600000000, 0.0006193800000000 ] - [ 0.0007786000000000, -0.0013835400000000, -0.0009253100000000 ] - [ -0.0004292000000000, -0.0011382700000000, 0.0000665100000000 ] - [ 0.0002981000000000, 0.0015100400000000, 0.0003461100000000 ] - [ 0.0002503100000000, 0.0000254300000000, -0.0003634200000000 ] - [ -0.0004838800000000, 0.0016524800000000, -0.0009475500000000 ] - [ 0.0004923000000000, 0.0044812400000000, -0.0019153100000000 ]- atom: 73 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001152100000000, 0.0004763000000000, -0.0002241500000000 ] - [ -0.0003232000000000, 0.0007537800000000, -0.0009759300000000 ] - [ -0.0026513200000000, 0.0075006800000000, -0.0005455000000000 ] - [ -0.0000321100000000, 0.0010184300000000, -0.0002903700000000 ] - [ -0.0009790300000000, -0.0055427200000000, 0.0006562800000000 ] - [ -0.0001863400000000, -0.0005690300000000, 0.0000425000000000 ] - [ 0.0028429100000000, -0.0032107100000000, -0.0033324900000000 ] - [ -0.0003450900000000, -0.0002933700000000, 0.0007666700000000 ] - [ 0.0069650000000000, -0.0096681800000000, 0.0004991300000000 ] - [ 0.0018177800000000, 0.0004258200000000, -0.0006266900000000 ] - [ -0.0001603000000000, 0.0002882700000000, 0.0006041900000000 ] - [ -0.0005532900000000, 0.0011088400000000, -0.0013087900000000 ] - [ 0.0006611000000000, -0.0022223000000000, 0.0023600000000000 ] - [ -0.0001615900000000, -0.0005873400000000, 0.0002351300000000 ] - [ -0.0000705400000000, 0.0000497400000000, -0.0001741100000000 ] - [ 0.0017377600000000, -0.0018814100000000, 0.0010751900000000 ] - [ -0.0000094700000000, 0.0007513000000000, 0.0009321500000000 ] - [ -0.0000634500000000, -0.0000365200000000, -0.0002308700000000 ] - [ -0.0010298700000000, 0.0005004200000000, -0.0008905300000000 ] - [ -0.0002908600000000, 0.0003589600000000, -0.0002042100000000 ] - [ 0.0104443200000000, 0.0012040100000000, 0.0021595400000000 ] - [ 0.0000736400000000, -0.0000875700000000, -0.0000185300000000 ] - [ 0.0002560600000000, -0.0001922500000000, -0.0000010900000000 ] - [ 0.0003959600000000, -0.0003396700000000, 0.0004539800000000 ] - [ -0.0001300600000000, -0.0001829400000000, -0.0003298100000000 ] - [ -0.0003128700000000, -0.0003695900000000, -0.0005402200000000 ] - [ -0.0029329400000000, -0.0002728600000000, 0.0009304900000000 ] - [ 0.0001812700000000, 0.0001742100000000, -0.0004395600000000 ] - [ 0.0009356700000000, 0.0001869100000000, -0.0004338800000000 ] - [ 0.0004850100000000, 0.0001685400000000, -0.0000640900000000 ] - [ 0.0010145600000000, -0.0000838300000000, -0.0002370900000000 ] - [ 0.0002313800000000, -0.0000643600000000, 0.0001974800000000 ] - [ -0.0002287800000000, -0.0002029700000000, -0.0003394400000000 ] - [ -0.0003369500000000, -0.0004879000000000, 0.0000665700000000 ] - [ 0.0001762500000000, -0.0027948300000000, 0.0000574700000000 ] - [ -0.0004218300000000, -0.0008993000000000, 0.0000795100000000 ] - [ 0.0007568000000000, 0.0016239300000000, 0.0003361200000000 ] - [ 0.0003119700000000, 0.0002016800000000, 0.0000495600000000 ] - [ 0.0000823500000000, 0.0006254500000000, 0.0000800000000000 ] - [ 0.0003837100000000, 0.0001878300000000, 0.0002240600000000 ] - [ 0.1123141800000000, -0.1011988300000000, 0.1182954500000000 ] - [ 0.0003661100000000, 0.0002108800000000, -0.0001592600000000 ] - [ 0.0002025100000000, -0.0005919200000000, -0.0005847000000000 ] - [ 0.0000696700000000, -0.0007475600000000, -0.0006579400000000 ] - [ -0.0006353800000000, 0.0005730800000000, -0.0000400600000000 ] - [ -0.0002437300000000, -0.0002949500000000, 0.0003981300000000 ] - [ -0.0002620100000000, 0.0007217200000000, 0.0001976900000000 ] - [ -0.0004236400000000, -0.0000367200000000, 0.0005754700000000 ] - [ 0.0009691800000000, -0.0000808800000000, -0.0029195100000000 ] - [ -0.0005879300000000, 0.0000204000000000, -0.0004578500000000 ] - [ 0.0025611000000000, -0.0033746800000000, -0.0036517800000000 ] - [ -0.0001831900000000, -0.0001801300000000, 0.0002060200000000 ] - [ -0.0157540800000000, -0.0053244500000000, -0.0015868200000000 ] - [ 0.0022560800000000, 0.0009183000000000, -0.0002629400000000 ] - [ 0.0002794500000000, -0.0003307500000000, 0.0009452500000000 ] - [ 0.0004044900000000, 0.0000143400000000, -0.0017063500000000 ] - [ -0.0004327700000000, 0.0002032700000000, 0.0007220400000000 ] - [ 0.0013420500000000, 0.0020775700000000, 0.0019264700000000 ] - [ 0.0077987300000000, -0.0011165800000000, 0.0112748000000000 ] - [ -0.0003158100000000, 0.0003810400000000, 0.0002077300000000 ] - [ -0.0005650200000000, -0.0000646600000000, 0.0001515900000000 ] - [ -0.0001135200000000, -0.0003218700000000, -0.0000255300000000 ] - [ -0.0019127300000000, -0.0063618600000000, 0.0007099200000000 ] - [ -0.0002043400000000, -0.0005703400000000, -0.0003319800000000 ] - [ -0.0001633200000000, 0.0002965400000000, 0.0006877800000000 ] - [ 0.0001312100000000, 0.0004555600000000, 0.0005475600000000 ] - [ 0.0015169900000000, 0.0022821000000000, -0.0007494500000000 ] - [ -0.0022439300000000, 0.0013733000000000, 0.0005825200000000 ] - [ -0.0005540200000000, -0.0027960100000000, 0.0021373000000000 ] - [ -0.0002178000000000, -0.0000822100000000, 0.0002006200000000 ] - [ -0.0003853000000000, -0.0014247700000000, -0.0001340500000000 ] - [ 0.0003482700000000, -0.0009795000000000, -0.0005030300000000 ] - [ -0.1235175000000000, 0.1341639100000000, -0.1286957700000000 ] - [ -0.0001095700000000, 0.0010188300000000, 0.0003948700000000 ] - [ -0.0010486100000000, 0.0007305400000000, 0.0019479500000000 ] - [ 0.0001525600000000, 0.0004780000000000, 0.0009380600000000 ] - [ -0.0000185300000000, -0.0021705800000000, -0.0013434200000000 ] - [ 0.0000127900000000, -0.0006841200000000, -0.0006527000000000 ] - [ 0.0007554600000000, -0.0009991800000000, -0.0000679900000000 ] - [ -0.0002369300000000, -0.0038022800000000, 0.0008852900000000 ]- atom: 73 displacement: [ -0.0052559485207597, 0.0000000000000000, 0.0085073500660972 ] forces: - [ 0.0011560600000000, 0.0004132300000000, -0.0028971100000000 ] - [ -0.0011678200000000, 0.0002335300000000, -0.0006716800000000 ] - [ -0.0012850800000000, 0.0002885200000000, 0.0032498600000000 ] - [ 0.0011342800000000, 0.0002871200000000, -0.0002999400000000 ] - [ -0.0038120700000000, 0.0005998800000000, 0.0042642300000000 ] - [ 0.0001144100000000, -0.0001850500000000, 0.0007496900000000 ] - [ 0.0024169600000000, 0.0033098600000000, -0.0036818100000000 ] - [ -0.0000495400000000, -0.0001776100000000, 0.0004964800000000 ] - [ -0.0029181000000000, 0.0009844000000000, 0.0045318400000000 ] - [ 0.0020620400000000, 0.0005817900000000, 0.0001434200000000 ] - [ 0.0005884600000000, -0.0002166600000000, -0.0025611000000000 ] - [ -0.0013476800000000, 0.0004679200000000, -0.0011851000000000 ] - [ -0.0027026000000000, -0.0015047300000000, 0.0000067300000000 ] - [ 0.0022273900000000, -0.0000944400000000, -0.0025541600000000 ] - [ 0.0016487200000000, -0.0002615800000000, -0.0005829500000000 ] - [ -0.0033885900000000, 0.0002879300000000, 0.0046740600000000 ] - [ -0.0007989900000000, -0.0018619400000000, -0.0014811500000000 ] - [ -0.0000516400000000, -0.0000742800000000, -0.0003355200000000 ] - [ 0.0008873200000000, -0.0000594500000000, 0.0002640400000000 ] - [ -0.0001883000000000, 0.0001673000000000, -0.0001440100000000 ] - [ -0.0006293800000000, 0.0034268900000000, 0.0076252700000000 ] - [ 0.0005106100000000, 0.0003189400000000, 0.0002179500000000 ] - [ 0.0008141000000000, -0.0004111300000000, -0.0004026600000000 ] - [ -0.0001940500000000, -0.0000277000000000, 0.0002258300000000 ] - [ 0.0004317500000000, -0.0002445900000000, -0.0012677100000000 ] - [ -0.0012940100000000, -0.0000681100000000, -0.0000701200000000 ] - [ -0.0022166000000000, -0.0003221600000000, 0.0025984800000000 ] - [ 0.0008114300000000, 0.0001376500000000, -0.0009824700000000 ] - [ 0.0001609200000000, 0.0005786600000000, -0.0002542900000000 ] - [ 0.0004593700000000, 0.0001774100000000, -0.0000631100000000 ] - [ 0.0005437100000000, 0.0001050800000000, 0.0001632300000000 ] - [ 0.0002861200000000, -0.0001313100000000, 0.0001693200000000 ] - [ -0.0002862000000000, -0.0002098100000000, -0.0005418500000000 ] - [ -0.0004819100000000, -0.0004607100000000, -0.0001431400000000 ] - [ 0.0009047100000000, -0.0004695700000000, 0.0008162500000000 ] - [ 0.0004345800000000, -0.0004913000000000, -0.0000463700000000 ] - [ 0.0000392200000000, -0.0008208500000000, 0.0002648800000000 ] - [ 0.0003628600000000, 0.0001676300000000, 0.0000549000000000 ] - [ 0.0006206600000000, -0.0011548600000000, 0.0000436200000000 ] - [ 0.0002996300000000, 0.0000883400000000, 0.0001352900000000 ] - [ 0.0447692900000000, -0.0414529000000000, 0.0617913900000000 ] - [ 0.0004873400000000, 0.0003246100000000, -0.0003028400000000 ] - [ 0.0007498800000000, -0.0007485300000000, -0.0012623400000000 ] - [ 0.0000538100000000, -0.0004658500000000, -0.0004508700000000 ] - [ -0.0004832900000000, -0.0004698800000000, 0.0004038100000000 ] - [ -0.0001881200000000, -0.0003272900000000, 0.0003445400000000 ] - [ 0.0000863900000000, 0.0004173800000000, 0.0002066200000000 ] - [ -0.0002398500000000, 0.0005859900000000, 0.0001544000000000 ] - [ -0.0035262400000000, 0.0036791600000000, 0.0038599600000000 ] - [ -0.0001287700000000, -0.0000089400000000, -0.0002944400000000 ] - [ -0.0012990000000000, 0.0043870200000000, 0.0021425500000000 ] - [ -0.0006444000000000, -0.0000094300000000, 0.0000985500000000 ] - [ -0.0057979700000000, -0.0059018800000000, -0.0062006300000000 ] - [ -0.0007976100000000, 0.0002519000000000, 0.0000864900000000 ] - [ 0.0002201800000000, -0.0003777600000000, 0.0025045900000000 ] - [ 0.0009227900000000, 0.0002702000000000, 0.0001257800000000 ] - [ -0.0035477200000000, 0.0000453900000000, 0.0016124600000000 ] - [ 0.0018867500000000, -0.0007843700000000, -0.0004754400000000 ] - [ 0.0096466900000000, -0.0052431400000000, 0.0043175400000000 ] - [ -0.0010623800000000, 0.0000786100000000, 0.0012802000000000 ] - [ -0.0009672600000000, -0.0021667800000000, 0.0023475500000000 ] - [ 0.0002321000000000, -0.0001129500000000, 0.0001254800000000 ] - [ 0.0004804800000000, -0.0014074600000000, -0.0018677500000000 ] - [ -0.0006710900000000, -0.0003383100000000, -0.0002619600000000 ] - [ -0.0004109500000000, 0.0001341400000000, 0.0018614200000000 ] - [ 0.0016287200000000, -0.0002246000000000, 0.0022794200000000 ] - [ -0.0008570400000000, 0.0012946500000000, -0.0026139900000000 ] - [ -0.0039853400000000, -0.0011043000000000, -0.0008403800000000 ] - [ 0.0019961400000000, -0.0006090700000000, -0.0002857600000000 ] - [ -0.0003044200000000, 0.0000042600000000, 0.0002134100000000 ] - [ -0.0014511400000000, -0.0004194700000000, 0.0000941100000000 ] - [ 0.0003725100000000, -0.0006633600000000, -0.0007498700000000 ] - [ -0.0304174500000000, 0.0441648600000000, -0.0854297400000000 ] - [ -0.0010475900000000, 0.0004390100000000, 0.0004004700000000 ] - [ -0.0031383900000000, 0.0013689800000000, 0.0051346300000000 ] - [ 0.0007681100000000, -0.0001124000000000, 0.0007837000000000 ] - [ 0.0013252000000000, 0.0003087500000000, -0.0000669200000000 ] - [ -0.0002114600000000, -0.0002678000000000, -0.0000870800000000 ] - [ -0.0011689700000000, 0.0003768000000000, -0.0004768100000000 ] - [ 0.0006173100000000, 0.0017105100000000, -0.0010313600000000 ]- atom: 73 displacement: [ 0.0052559485207597, 0.0000000000000000, -0.0085073500660972 ] forces: - [ -0.0012148500000000, -0.0003627600000000, 0.0020350300000000 ] - [ 0.0011394700000000, -0.0001831900000000, -0.0001879700000000 ] - [ 0.0012505300000000, -0.0003517400000000, -0.0041229100000000 ] - [ -0.0011732200000000, -0.0003448200000000, -0.0005473400000000 ] - [ 0.0042518100000000, -0.0005504700000000, -0.0039842300000000 ] - [ -0.0000772900000000, 0.0001287600000000, 0.0001102700000000 ] - [ -0.0024946400000000, -0.0033448000000000, 0.0047752600000000 ] - [ 0.0001049700000000, 0.0002339600000000, 0.0003649900000000 ] - [ 0.0026238500000000, -0.0006609400000000, -0.0045597900000000 ] - [ -0.0023191600000000, -0.0002995300000000, -0.0001445300000000 ] - [ -0.0008386000000000, -0.0000615200000000, 0.0025791800000000 ] - [ 0.0010721600000000, -0.0007577700000000, 0.0012165200000000 ] - [ 0.0029669400000000, 0.0012341000000000, 0.0000005100000000 ] - [ -0.0019434900000000, -0.0001916800000000, 0.0025594800000000 ] - [ -0.0013858800000000, 0.0005485600000000, 0.0005558200000000 ] - [ 0.0036353100000000, -0.0000292100000000, -0.0047112900000000 ] - [ 0.0004909900000000, 0.0015571300000000, 0.0010547300000000 ] - [ -0.0002423100000000, -0.0002147600000000, -0.0000864100000000 ] - [ -0.0011858800000000, 0.0003492800000000, -0.0006914000000000 ] - [ -0.0001135300000000, 0.0001258800000000, -0.0002775300000000 ] - [ 0.0010666400000000, -0.0030492100000000, -0.0072172000000000 ] - [ -0.0002111900000000, -0.0000294000000000, 0.0002039000000000 ] - [ -0.0005195100000000, 0.0001247200000000, 0.0008159600000000 ] - [ 0.0004943700000000, -0.0002630800000000, 0.0001955700000000 ] - [ -0.0011220600000000, -0.0000208200000000, 0.0011646200000000 ] - [ 0.0006176200000000, -0.0001970700000000, -0.0000386600000000 ] - [ 0.0015646500000000, 0.0005841800000000, -0.0027165200000000 ] - [ -0.0015002700000000, 0.0001274700000000, 0.0008797600000000 ] - [ 0.0005360700000000, -0.0003204400000000, 0.0003579400000000 ] - [ 0.0002237100000000, 0.0000869600000000, 0.0001729000000000 ] - [ 0.0001349600000000, -0.0003662000000000, -0.0000440400000000 ] - [ 0.0004050400000000, -0.0001341300000000, -0.0000639000000000 ] - [ -0.0002912400000000, 0.0001060900000000, 0.0004136300000000 ] - [ -0.0000864400000000, 0.0003655400000000, 0.0000154300000000 ] - [ -0.0014702600000000, 0.0005588500000000, -0.0009513300000000 ] - [ -0.0010101100000000, 0.0005940400000000, -0.0000813500000000 ] - [ 0.0005344500000000, 0.0009265600000000, -0.0001388200000000 ] - [ 0.0002083300000000, -0.0000661600000000, 0.0000738300000000 ] - [ -0.0000492700000000, 0.0010465100000000, 0.0000862600000000 ] - [ 0.0002746500000000, -0.0001912000000000, -0.0000067200000000 ] - [ -0.0443255500000000, 0.0429189000000000, -0.0648735600000000 ] - [ 0.0000296400000000, 0.0003755500000000, -0.0003463200000000 ] - [ -0.0002455500000000, 0.0000504400000000, 0.0006118700000000 ] - [ 0.0004638100000000, -0.0002321300000000, -0.0001992600000000 ] - [ -0.0000355500000000, -0.0002308600000000, 0.0002505600000000 ] - [ -0.0003255400000000, -0.0003735300000000, 0.0003083900000000 ] - [ -0.0006049700000000, 0.0002797400000000, 0.0004384000000000 ] - [ -0.0002755300000000, 0.0001125400000000, 0.0004942300000000 ] - [ 0.0029474300000000, -0.0035589000000000, -0.0039801400000000 ] - [ -0.0004388100000000, 0.0000914400000000, 0.0001500100000000 ] - [ 0.0007312900000000, -0.0045036700000000, -0.0022791600000000 ] - [ 0.0000928100000000, -0.0000758100000000, -0.0002455900000000 ] - [ 0.0062738900000000, 0.0057986400000000, 0.0064009800000000 ] - [ 0.0013595400000000, -0.0003345900000000, 0.0000484800000000 ] - [ 0.0003597500000000, 0.0004530300000000, -0.0023445000000000 ] - [ -0.0003765200000000, -0.0001892800000000, 0.0000275100000000 ] - [ 0.0039864800000000, -0.0003931500000000, -0.0013572600000000 ] - [ -0.0014962300000000, 0.0004343400000000, 0.0007209800000000 ] - [ -0.0092422300000000, 0.0056205900000000, -0.0041782500000000 ] - [ 0.0014656200000000, 0.0002698200000000, -0.0010442600000000 ] - [ 0.0005598200000000, 0.0025504200000000, -0.0026041700000000 ] - [ -0.0006379100000000, 0.0004670100000000, -0.0003743100000000 ] - [ -0.0008730500000000, 0.0010530000000000, 0.0015969300000000 ] - [ 0.0002596900000000, -0.0000121700000000, 0.0000185500000000 ] - [ 0.0003180500000000, -0.0005814500000000, -0.0014698100000000 ] - [ -0.0017607600000000, -0.0002269900000000, -0.0018928000000000 ] - [ 0.0007320000000000, -0.0008391600000000, 0.0030292700000000 ] - [ 0.0038835200000000, 0.0015554200000000, 0.0012130700000000 ] - [ -0.0019035800000000, 0.0010675300000000, -0.0000986300000000 ] - [ 0.0004194800000000, 0.0004436200000000, -0.0006069800000000 ] - [ 0.0015557000000000, -0.0000339700000000, -0.0005045200000000 ] - [ -0.0002696000000000, 0.0002173000000000, 0.0003525000000000 ] - [ 0.0298845600000000, -0.0443915300000000, 0.0893438700000000 ] - [ 0.0007800300000000, 0.0002201100000000, 0.0006145900000000 ] - [ 0.0028724500000000, -0.0020356200000000, -0.0041215900000000 ] - [ -0.0010391800000000, -0.0005478200000000, 0.0002270600000000 ] - [ -0.0010427900000000, -0.0009620200000000, -0.0009549800000000 ] - [ 0.0004682900000000, -0.0003884000000000, -0.0009320200000000 ] - [ 0.0014365800000000, 0.0002794100000000, -0.0005235300000000 ] - [ -0.0003343700000000, -0.0010555300000000, 0.0000247600000000 ]