# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/0b90fb28-56d5-46fe-92fe-7ee878516435/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 LiH3O2 / C2/m (12) / materials id 27281](https://mdr.nims.go.jp/datasets/fe89e489-45f9-494a-92f8-3d1f3cfb315c) ## Fulltext phonopy: version: 2.17.1 frequency_unit_conversion_factor: 15.633302 symmetry_tolerance: 1.00000e-05 nac_unit_conversion_factor: 14.399652 configuration: save_params: ".true."physical_unit: atomic_mass: "AMU" length: "angstrom" force_constants: "eV/angstrom^2"space_group: type: "C2/m" number: 12 Hall_symbol: "-C 2y"primitive_matrix:- [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ]- [ -0.500000000000000, 0.500000000000000, 0.000000000000000 ]- [ 0.000000000000000, 0.000000000000000, 1.000000000000000 ]supercell_matrix:- [ 2, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 3 ]primitive_cell: lattice: - [ 3.662580980000000, -4.105785240000000, 0.021644160000000 ] # a - [ 3.662580980000000, 4.105785240000000, 0.021644160000000 ] # b - [ -1.123352530000000, 0.000000000000000, 2.919230680000000 ] # c points: - symbol: H # 1 coordinates: [ 0.243996730000000, 0.988053290000000, 0.147773340000000 ] mass: 1.007940 - symbol: H # 2 coordinates: [ 0.011946710000000, 0.756003270000000, 0.852226660000000 ] mass: 1.007940 - symbol: H # 3 coordinates: [ 0.756003270000000, 0.011946710000000, 0.852226660000000 ] mass: 1.007940 - symbol: H # 4 coordinates: [ 0.265572210000000, 0.265572210000000, 0.688033900000000 ] mass: 1.007940 - symbol: H # 5 coordinates: [ 0.734427790000000, 0.734427790000000, 0.311966100000000 ] mass: 1.007940 - symbol: H # 6 coordinates: [ 0.988053290000000, 0.243996730000000, 0.147773340000000 ] mass: 1.007940 - symbol: Li # 7 coordinates: [ 0.344468150000000, 0.655531850000000, 0.500000000000000 ] mass: 6.941000 - symbol: Li # 8 coordinates: [ 0.655531850000000, 0.344468150000000, 0.500000000000000 ] mass: 6.941000 - symbol: O # 9 coordinates: [ 0.283019510000000, 0.283019510000000, 0.390838090000000 ] mass: 15.999400 - symbol: O # 10 coordinates: [ 0.716980490000000, 0.716980490000000, 0.609161910000000 ] mass: 15.999400 - symbol: O # 11 coordinates: [ 0.794993270000000, 0.205006730000000, 0.000000000000000 ] mass: 15.999400 - symbol: O # 12 coordinates: [ 0.205006730000000, 0.794993270000000, 0.000000000000000 ] mass: 15.999400 reciprocal_lattice: # without 2pi - [ 0.136206012789500, -0.121779384642145, 0.052413593114299 ] # a* - [ 0.136206012789500, 0.121779384642145, 0.052413593114299 ] # b* - [ -0.002019754556552, -0.000000000000000, 0.341778781116715 ] # c*unit_cell: lattice: - [ 7.325161960000000, 0.000000000000000, 0.043288320000000 ] # a - [ 0.000000000000000, 8.211570480000001, 0.000000000000000 ] # b - [ -1.123352530000000, 0.000000000000000, 2.919230680000000 ] # c points: - symbol: H # 1 coordinates: [ 0.616025010000000, 0.372028280000000, 0.147773340000000 ] mass: 1.007940 reduced_to: 1 - symbol: H # 2 coordinates: [ 0.383974990000000, 0.372028280000000, 0.852226660000000 ] mass: 1.007940 reduced_to: 2 - symbol: H # 3 coordinates: [ 0.383974990000000, 0.627971720000000, 0.852226660000000 ] mass: 1.007940 reduced_to: 3 - symbol: H # 4 coordinates: [ 0.265572210000000, 0.000000000000000, 0.688033900000000 ] mass: 1.007940 reduced_to: 4 - symbol: H # 5 coordinates: [ 0.734427790000000, 0.000000000000000, 0.311966100000000 ] mass: 1.007940 reduced_to: 5 - symbol: H # 6 coordinates: [ 0.616025010000000, 0.627971720000000, 0.147773340000000 ] mass: 1.007940 reduced_to: 6 - symbol: H # 7 coordinates: [ 0.116025010000000, 0.872028280000000, 0.147773340000000 ] mass: 1.007940 reduced_to: 1 - symbol: H # 8 coordinates: [ 0.883974990000000, 0.872028280000000, 0.852226660000000 ] mass: 1.007940 reduced_to: 2 - symbol: H # 9 coordinates: [ 0.883974990000000, 0.127971720000000, 0.852226660000000 ] mass: 1.007940 reduced_to: 3 - symbol: H # 10 coordinates: [ 0.765572210000000, 0.500000000000000, 0.688033900000000 ] mass: 1.007940 reduced_to: 4 - symbol: H # 11 coordinates: [ 0.234427790000000, 0.500000000000000, 0.311966100000000 ] mass: 1.007940 reduced_to: 5 - symbol: H # 12 coordinates: [ 0.116025010000000, 0.127971720000000, 0.147773340000000 ] mass: 1.007940 reduced_to: 6 - symbol: Li # 13 coordinates: [ 0.500000000000000, 0.155531850000000, 0.500000000000000 ] mass: 6.941000 reduced_to: 13 - symbol: Li # 14 coordinates: [ 0.500000000000000, 0.844468150000000, 0.500000000000000 ] mass: 6.941000 reduced_to: 14 - symbol: Li # 15 coordinates: [ 0.000000000000000, 0.655531850000000, 0.500000000000000 ] mass: 6.941000 reduced_to: 13 - symbol: Li # 16 coordinates: [ 0.000000000000000, 0.344468150000000, 0.500000000000000 ] mass: 6.941000 reduced_to: 14 - symbol: O # 17 coordinates: [ 0.283019510000000, 0.000000000000000, 0.390838090000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 18 coordinates: [ 0.716980490000000, 0.000000000000000, 0.609161910000000 ] mass: 15.999400 reduced_to: 18 - symbol: O # 19 coordinates: [ 0.500000000000000, 0.705006730000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 20 coordinates: [ 0.500000000000000, 0.294993270000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 20 - symbol: O # 21 coordinates: [ 0.783019510000000, 0.500000000000000, 0.390838090000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 22 coordinates: [ 0.216980490000000, 0.500000000000000, 0.609161910000000 ] mass: 15.999400 reduced_to: 18 - symbol: O # 23 coordinates: [ 0.000000000000000, 0.205006730000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 24 coordinates: [ 0.000000000000000, 0.794993270000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 20supercell: lattice: - [ 14.650323920000000, 0.000000000000000, 0.086576640000000 ] # a - [ 0.000000000000000, 8.211570480000001, 0.000000000000000 ] # b - [ -3.370057590000000, 0.000000000000000, 8.757692040000000 ] # c points: - symbol: H # 1 coordinates: [ 0.308012505000000, 0.372028280000000, 0.049257780000000 ] mass: 1.007940 reduced_to: 1 - symbol: H # 2 coordinates: [ 0.808012505000000, 0.372028280000000, 0.049257780000000 ] mass: 1.007940 reduced_to: 1 - symbol: H # 3 coordinates: [ 0.308012505000000, 0.372028280000000, 0.382591113333333 ] mass: 1.007940 reduced_to: 1 - symbol: H # 4 coordinates: [ 0.808012505000000, 0.372028280000000, 0.382591113333333 ] mass: 1.007940 reduced_to: 1 - symbol: H # 5 coordinates: [ 0.308012505000000, 0.372028280000000, 0.715924446666667 ] mass: 1.007940 reduced_to: 1 - symbol: H # 6 coordinates: [ 0.808012505000000, 0.372028280000000, 0.715924446666667 ] mass: 1.007940 reduced_to: 1 - symbol: H # 7 coordinates: [ 0.191987495000000, 0.372028280000000, 0.284075553333333 ] mass: 1.007940 reduced_to: 7 - symbol: H # 8 coordinates: [ 0.691987495000000, 0.372028280000000, 0.284075553333333 ] mass: 1.007940 reduced_to: 7 - symbol: H # 9 coordinates: [ 0.191987495000000, 0.372028280000000, 0.617408886666667 ] mass: 1.007940 reduced_to: 7 - symbol: H # 10 coordinates: [ 0.691987495000000, 0.372028280000000, 0.617408886666667 ] mass: 1.007940 reduced_to: 7 - symbol: H # 11 coordinates: [ 0.191987495000000, 0.372028280000000, 0.950742220000000 ] mass: 1.007940 reduced_to: 7 - symbol: H # 12 coordinates: [ 0.691987495000000, 0.372028280000000, 0.950742220000000 ] mass: 1.007940 reduced_to: 7 - symbol: H # 13 coordinates: [ 0.191987495000000, 0.627971720000000, 0.284075553333333 ] mass: 1.007940 reduced_to: 13 - symbol: H # 14 coordinates: [ 0.691987495000000, 0.627971720000000, 0.284075553333333 ] mass: 1.007940 reduced_to: 13 - symbol: H # 15 coordinates: [ 0.191987495000000, 0.627971720000000, 0.617408886666667 ] mass: 1.007940 reduced_to: 13 - symbol: H # 16 coordinates: [ 0.691987495000000, 0.627971720000000, 0.617408886666667 ] mass: 1.007940 reduced_to: 13 - symbol: H # 17 coordinates: [ 0.191987495000000, 0.627971720000000, 0.950742220000000 ] mass: 1.007940 reduced_to: 13 - symbol: H # 18 coordinates: [ 0.691987495000000, 0.627971720000000, 0.950742220000000 ] mass: 1.007940 reduced_to: 13 - symbol: H # 19 coordinates: [ 0.132786105000000, 0.000000000000000, 0.229344633333333 ] mass: 1.007940 reduced_to: 19 - symbol: H # 20 coordinates: [ 0.632786105000000, 0.000000000000000, 0.229344633333333 ] mass: 1.007940 reduced_to: 19 - symbol: H # 21 coordinates: [ 0.132786105000000, 0.000000000000000, 0.562677966666667 ] mass: 1.007940 reduced_to: 19 - symbol: H # 22 coordinates: [ 0.632786105000000, 0.000000000000000, 0.562677966666667 ] mass: 1.007940 reduced_to: 19 - symbol: H # 23 coordinates: [ 0.132786105000000, 0.000000000000000, 0.896011300000000 ] mass: 1.007940 reduced_to: 19 - symbol: H # 24 coordinates: [ 0.632786105000000, 0.000000000000000, 0.896011300000000 ] mass: 1.007940 reduced_to: 19 - symbol: H # 25 coordinates: [ 0.367213895000000, 0.000000000000000, 0.103988700000000 ] mass: 1.007940 reduced_to: 25 - symbol: H # 26 coordinates: [ 0.867213895000000, 0.000000000000000, 0.103988700000000 ] mass: 1.007940 reduced_to: 25 - symbol: H # 27 coordinates: [ 0.367213895000000, 0.000000000000000, 0.437322033333333 ] mass: 1.007940 reduced_to: 25 - symbol: H # 28 coordinates: [ 0.867213895000000, 0.000000000000000, 0.437322033333333 ] mass: 1.007940 reduced_to: 25 - symbol: H # 29 coordinates: [ 0.367213895000000, 0.000000000000000, 0.770655366666667 ] mass: 1.007940 reduced_to: 25 - symbol: H # 30 coordinates: [ 0.867213895000000, 0.000000000000000, 0.770655366666667 ] mass: 1.007940 reduced_to: 25 - symbol: H # 31 coordinates: [ 0.308012505000000, 0.627971720000000, 0.049257780000000 ] mass: 1.007940 reduced_to: 31 - symbol: H # 32 coordinates: [ 0.808012505000000, 0.627971720000000, 0.049257780000000 ] mass: 1.007940 reduced_to: 31 - symbol: H # 33 coordinates: [ 0.308012505000000, 0.627971720000000, 0.382591113333333 ] mass: 1.007940 reduced_to: 31 - symbol: H # 34 coordinates: [ 0.808012505000000, 0.627971720000000, 0.382591113333333 ] mass: 1.007940 reduced_to: 31 - symbol: H # 35 coordinates: [ 0.308012505000000, 0.627971720000000, 0.715924446666667 ] mass: 1.007940 reduced_to: 31 - symbol: H # 36 coordinates: [ 0.808012505000000, 0.627971720000000, 0.715924446666667 ] mass: 1.007940 reduced_to: 31 - symbol: H # 37 coordinates: [ 0.058012505000000, 0.872028280000000, 0.049257780000000 ] mass: 1.007940 reduced_to: 1 - symbol: H # 38 coordinates: [ 0.558012505000000, 0.872028280000000, 0.049257780000000 ] mass: 1.007940 reduced_to: 1 - symbol: H # 39 coordinates: [ 0.058012505000000, 0.872028280000000, 0.382591113333333 ] mass: 1.007940 reduced_to: 1 - symbol: H # 40 coordinates: [ 0.558012505000000, 0.872028280000000, 0.382591113333333 ] mass: 1.007940 reduced_to: 1 - symbol: H # 41 coordinates: [ 0.058012505000000, 0.872028280000000, 0.715924446666667 ] mass: 1.007940 reduced_to: 1 - symbol: H # 42 coordinates: [ 0.558012505000000, 0.872028280000000, 0.715924446666667 ] mass: 1.007940 reduced_to: 1 - symbol: H # 43 coordinates: [ 0.441987495000000, 0.872028280000000, 0.284075553333333 ] mass: 1.007940 reduced_to: 7 - symbol: H # 44 coordinates: [ 0.941987495000000, 0.872028280000000, 0.284075553333333 ] mass: 1.007940 reduced_to: 7 - symbol: H # 45 coordinates: [ 0.441987495000000, 0.872028280000000, 0.617408886666667 ] mass: 1.007940 reduced_to: 7 - symbol: H # 46 coordinates: [ 0.941987495000000, 0.872028280000000, 0.617408886666667 ] mass: 1.007940 reduced_to: 7 - symbol: H # 47 coordinates: [ 0.441987495000000, 0.872028280000000, 0.950742220000000 ] mass: 1.007940 reduced_to: 7 - symbol: H # 48 coordinates: [ 0.941987495000000, 0.872028280000000, 0.950742220000000 ] mass: 1.007940 reduced_to: 7 - symbol: H # 49 coordinates: [ 0.441987495000000, 0.127971720000000, 0.284075553333333 ] mass: 1.007940 reduced_to: 13 - symbol: H # 50 coordinates: [ 0.941987495000000, 0.127971720000000, 0.284075553333333 ] mass: 1.007940 reduced_to: 13 - symbol: H # 51 coordinates: [ 0.441987495000000, 0.127971720000000, 0.617408886666667 ] mass: 1.007940 reduced_to: 13 - symbol: H # 52 coordinates: [ 0.941987495000000, 0.127971720000000, 0.617408886666667 ] mass: 1.007940 reduced_to: 13 - symbol: H # 53 coordinates: [ 0.441987495000000, 0.127971720000000, 0.950742220000000 ] mass: 1.007940 reduced_to: 13 - symbol: H # 54 coordinates: [ 0.941987495000000, 0.127971720000000, 0.950742220000000 ] mass: 1.007940 reduced_to: 13 - symbol: H # 55 coordinates: [ 0.382786105000000, 0.500000000000000, 0.229344633333333 ] mass: 1.007940 reduced_to: 19 - symbol: H # 56 coordinates: [ 0.882786105000000, 0.500000000000000, 0.229344633333333 ] mass: 1.007940 reduced_to: 19 - symbol: H # 57 coordinates: [ 0.382786105000000, 0.500000000000000, 0.562677966666667 ] mass: 1.007940 reduced_to: 19 - symbol: H # 58 coordinates: [ 0.882786105000000, 0.500000000000000, 0.562677966666667 ] mass: 1.007940 reduced_to: 19 - symbol: H # 59 coordinates: [ 0.382786105000000, 0.500000000000000, 0.896011300000000 ] mass: 1.007940 reduced_to: 19 - symbol: H # 60 coordinates: [ 0.882786105000000, 0.500000000000000, 0.896011300000000 ] mass: 1.007940 reduced_to: 19 - symbol: H # 61 coordinates: [ 0.117213895000000, 0.500000000000000, 0.103988700000000 ] mass: 1.007940 reduced_to: 25 - symbol: H # 62 coordinates: [ 0.617213895000000, 0.500000000000000, 0.103988700000000 ] mass: 1.007940 reduced_to: 25 - symbol: H # 63 coordinates: [ 0.117213895000000, 0.500000000000000, 0.437322033333333 ] mass: 1.007940 reduced_to: 25 - symbol: H # 64 coordinates: [ 0.617213895000000, 0.500000000000000, 0.437322033333333 ] mass: 1.007940 reduced_to: 25 - symbol: H # 65 coordinates: [ 0.117213895000000, 0.500000000000000, 0.770655366666667 ] mass: 1.007940 reduced_to: 25 - symbol: H # 66 coordinates: [ 0.617213895000000, 0.500000000000000, 0.770655366666667 ] mass: 1.007940 reduced_to: 25 - symbol: H # 67 coordinates: [ 0.058012505000000, 0.127971720000000, 0.049257780000000 ] mass: 1.007940 reduced_to: 31 - symbol: H # 68 coordinates: [ 0.558012505000000, 0.127971720000000, 0.049257780000000 ] mass: 1.007940 reduced_to: 31 - symbol: H # 69 coordinates: [ 0.058012505000000, 0.127971720000000, 0.382591113333333 ] mass: 1.007940 reduced_to: 31 - symbol: H # 70 coordinates: [ 0.558012505000000, 0.127971720000000, 0.382591113333333 ] mass: 1.007940 reduced_to: 31 - symbol: H # 71 coordinates: [ 0.058012505000000, 0.127971720000000, 0.715924446666667 ] mass: 1.007940 reduced_to: 31 - symbol: H # 72 coordinates: [ 0.558012505000000, 0.127971720000000, 0.715924446666667 ] mass: 1.007940 reduced_to: 31 - symbol: Li # 73 coordinates: [ 0.250000000000000, 0.155531850000000, 0.166666666666667 ] mass: 6.941000 reduced_to: 73 - symbol: Li # 74 coordinates: [ 0.750000000000000, 0.155531850000000, 0.166666666666667 ] mass: 6.941000 reduced_to: 73 - symbol: Li # 75 coordinates: [ 0.250000000000000, 0.155531850000000, 0.500000000000000 ] mass: 6.941000 reduced_to: 73 - symbol: Li # 76 coordinates: [ 0.750000000000000, 0.155531850000000, 0.500000000000000 ] mass: 6.941000 reduced_to: 73 - symbol: Li # 77 coordinates: [ 0.250000000000000, 0.155531850000000, 0.833333333333333 ] mass: 6.941000 reduced_to: 73 - symbol: Li # 78 coordinates: [ 0.750000000000000, 0.155531850000000, 0.833333333333333 ] mass: 6.941000 reduced_to: 73 - symbol: Li # 79 coordinates: [ 0.250000000000000, 0.844468150000000, 0.166666666666667 ] mass: 6.941000 reduced_to: 79 - symbol: Li # 80 coordinates: [ 0.750000000000000, 0.844468150000000, 0.166666666666667 ] mass: 6.941000 reduced_to: 79 - symbol: Li # 81 coordinates: [ 0.250000000000000, 0.844468150000000, 0.500000000000000 ] mass: 6.941000 reduced_to: 79 - symbol: Li # 82 coordinates: [ 0.750000000000000, 0.844468150000000, 0.500000000000000 ] mass: 6.941000 reduced_to: 79 - symbol: Li # 83 coordinates: [ 0.250000000000000, 0.844468150000000, 0.833333333333333 ] mass: 6.941000 reduced_to: 79 - symbol: Li # 84 coordinates: [ 0.750000000000000, 0.844468150000000, 0.833333333333333 ] mass: 6.941000 reduced_to: 79 - symbol: Li # 85 coordinates: [ 0.000000000000000, 0.655531850000000, 0.166666666666667 ] mass: 6.941000 reduced_to: 73 - symbol: Li # 86 coordinates: [ 0.500000000000000, 0.655531850000000, 0.166666666666667 ] mass: 6.941000 reduced_to: 73 - symbol: Li # 87 coordinates: [ 0.000000000000000, 0.655531850000000, 0.500000000000000 ] mass: 6.941000 reduced_to: 73 - symbol: Li # 88 coordinates: [ 0.500000000000000, 0.655531850000000, 0.500000000000000 ] mass: 6.941000 reduced_to: 73 - symbol: Li # 89 coordinates: [ 0.000000000000000, 0.655531850000000, 0.833333333333333 ] mass: 6.941000 reduced_to: 73 - symbol: Li # 90 coordinates: [ 0.500000000000000, 0.655531850000000, 0.833333333333333 ] mass: 6.941000 reduced_to: 73 - symbol: Li # 91 coordinates: [ 0.000000000000000, 0.344468150000000, 0.166666666666667 ] mass: 6.941000 reduced_to: 79 - symbol: Li # 92 coordinates: [ 0.500000000000000, 0.344468150000000, 0.166666666666667 ] mass: 6.941000 reduced_to: 79 - symbol: Li # 93 coordinates: [ 0.000000000000000, 0.344468150000000, 0.500000000000000 ] mass: 6.941000 reduced_to: 79 - symbol: Li # 94 coordinates: [ 0.500000000000000, 0.344468150000000, 0.500000000000000 ] mass: 6.941000 reduced_to: 79 - symbol: Li # 95 coordinates: [ 0.000000000000000, 0.344468150000000, 0.833333333333333 ] mass: 6.941000 reduced_to: 79 - symbol: Li # 96 coordinates: [ 0.500000000000000, 0.344468150000000, 0.833333333333333 ] mass: 6.941000 reduced_to: 79 - symbol: O # 97 coordinates: [ 0.141509755000000, 0.000000000000000, 0.130279363333333 ] mass: 15.999400 reduced_to: 97 - symbol: O # 98 coordinates: [ 0.641509755000000, 0.000000000000000, 0.130279363333333 ] mass: 15.999400 reduced_to: 97 - symbol: O # 99 coordinates: [ 0.141509755000000, 0.000000000000000, 0.463612696666667 ] mass: 15.999400 reduced_to: 97 - symbol: O # 100 coordinates: [ 0.641509755000000, 0.000000000000000, 0.463612696666667 ] mass: 15.999400 reduced_to: 97 - symbol: O # 101 coordinates: [ 0.141509755000000, 0.000000000000000, 0.796946030000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 102 coordinates: [ 0.641509755000000, 0.000000000000000, 0.796946030000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 103 coordinates: [ 0.358490245000000, 0.000000000000000, 0.203053970000000 ] mass: 15.999400 reduced_to: 103 - symbol: O # 104 coordinates: [ 0.858490245000000, 0.000000000000000, 0.203053970000000 ] mass: 15.999400 reduced_to: 103 - symbol: O # 105 coordinates: [ 0.358490245000000, 0.000000000000000, 0.536387303333333 ] mass: 15.999400 reduced_to: 103 - symbol: O # 106 coordinates: [ 0.858490245000000, 0.000000000000000, 0.536387303333333 ] mass: 15.999400 reduced_to: 103 - symbol: O # 107 coordinates: [ 0.358490245000000, 0.000000000000000, 0.869720636666667 ] mass: 15.999400 reduced_to: 103 - symbol: O # 108 coordinates: [ 0.858490245000000, 0.000000000000000, 0.869720636666667 ] mass: 15.999400 reduced_to: 103 - symbol: O # 109 coordinates: [ 0.250000000000000, 0.705006730000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 109 - symbol: O # 110 coordinates: [ 0.750000000000000, 0.705006730000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 109 - symbol: O # 111 coordinates: [ 0.250000000000000, 0.705006730000000, 0.333333333333333 ] mass: 15.999400 reduced_to: 109 - symbol: O # 112 coordinates: [ 0.750000000000000, 0.705006730000000, 0.333333333333333 ] mass: 15.999400 reduced_to: 109 - symbol: O # 113 coordinates: [ 0.250000000000000, 0.705006730000000, 0.666666666666667 ] mass: 15.999400 reduced_to: 109 - symbol: O # 114 coordinates: [ 0.750000000000000, 0.705006730000000, 0.666666666666667 ] mass: 15.999400 reduced_to: 109 - symbol: O # 115 coordinates: [ 0.250000000000000, 0.294993270000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 115 - symbol: O # 116 coordinates: [ 0.750000000000000, 0.294993270000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 115 - symbol: O # 117 coordinates: [ 0.250000000000000, 0.294993270000000, 0.333333333333333 ] mass: 15.999400 reduced_to: 115 - symbol: O # 118 coordinates: [ 0.750000000000000, 0.294993270000000, 0.333333333333333 ] mass: 15.999400 reduced_to: 115 - symbol: O # 119 coordinates: [ 0.250000000000000, 0.294993270000000, 0.666666666666667 ] mass: 15.999400 reduced_to: 115 - symbol: O # 120 coordinates: [ 0.750000000000000, 0.294993270000000, 0.666666666666667 ] mass: 15.999400 reduced_to: 115 - symbol: O # 121 coordinates: [ 0.391509755000000, 0.500000000000000, 0.130279363333333 ] mass: 15.999400 reduced_to: 97 - symbol: O # 122 coordinates: [ 0.891509755000000, 0.500000000000000, 0.130279363333333 ] mass: 15.999400 reduced_to: 97 - symbol: O # 123 coordinates: [ 0.391509755000000, 0.500000000000000, 0.463612696666667 ] mass: 15.999400 reduced_to: 97 - symbol: O # 124 coordinates: [ 0.891509755000000, 0.500000000000000, 0.463612696666667 ] mass: 15.999400 reduced_to: 97 - symbol: O # 125 coordinates: [ 0.391509755000000, 0.500000000000000, 0.796946030000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 126 coordinates: [ 0.891509755000000, 0.500000000000000, 0.796946030000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 127 coordinates: [ 0.108490245000000, 0.500000000000000, 0.203053970000000 ] mass: 15.999400 reduced_to: 103 - symbol: O # 128 coordinates: [ 0.608490245000000, 0.500000000000000, 0.203053970000000 ] mass: 15.999400 reduced_to: 103 - symbol: O # 129 coordinates: [ 0.108490245000000, 0.500000000000000, 0.536387303333333 ] mass: 15.999400 reduced_to: 103 - symbol: O # 130 coordinates: [ 0.608490245000000, 0.500000000000000, 0.536387303333333 ] mass: 15.999400 reduced_to: 103 - symbol: O # 131 coordinates: [ 0.108490245000000, 0.500000000000000, 0.869720636666667 ] mass: 15.999400 reduced_to: 103 - symbol: O # 132 coordinates: [ 0.608490245000000, 0.500000000000000, 0.869720636666667 ] mass: 15.999400 reduced_to: 103 - symbol: O # 133 coordinates: [ 0.000000000000000, 0.205006730000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 109 - symbol: O # 134 coordinates: [ 0.500000000000000, 0.205006730000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 109 - symbol: O # 135 coordinates: [ 0.000000000000000, 0.205006730000000, 0.333333333333333 ] mass: 15.999400 reduced_to: 109 - symbol: O # 136 coordinates: [ 0.500000000000000, 0.205006730000000, 0.333333333333333 ] mass: 15.999400 reduced_to: 109 - symbol: O # 137 coordinates: [ 0.000000000000000, 0.205006730000000, 0.666666666666667 ] mass: 15.999400 reduced_to: 109 - symbol: O # 138 coordinates: [ 0.500000000000000, 0.205006730000000, 0.666666666666667 ] mass: 15.999400 reduced_to: 109 - symbol: O # 139 coordinates: [ 0.000000000000000, 0.794993270000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 115 - symbol: O # 140 coordinates: [ 0.500000000000000, 0.794993270000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 115 - symbol: O # 141 coordinates: [ 0.000000000000000, 0.794993270000000, 0.333333333333333 ] mass: 15.999400 reduced_to: 115 - symbol: O # 142 coordinates: [ 0.500000000000000, 0.794993270000000, 0.333333333333333 ] mass: 15.999400 reduced_to: 115 - symbol: O # 143 coordinates: [ 0.000000000000000, 0.794993270000000, 0.666666666666667 ] mass: 15.999400 reduced_to: 115 - symbol: O # 144 coordinates: [ 0.500000000000000, 0.794993270000000, 0.666666666666667 ] mass: 15.999400 reduced_to: 115born_effective_charge:- # 1 (H) - [ 0.789337930000000, 0.467950890000000, 0.351228140000000 ] - [ 0.499588250000000, 0.713176830000000, 0.365486520000000 ] - [ 0.357592330000000, 0.350072030000000, 0.578104020000000 ]- # 2 (H) - [ 0.789337930000000, -0.467950890000000, 0.351228140000000 ] - [ -0.499588250000000, 0.713176830000000, -0.365486520000000 ] - [ 0.357592330000000, -0.350072030000000, 0.578104020000000 ]- # 3 (H) - [ 0.789337930000000, 0.467950890000000, 0.351228140000000 ] - [ 0.499588250000000, 0.713176830000000, 0.365486520000000 ] - [ 0.357592330000000, 0.350072030000000, 0.578104020000000 ]- # 4 (H) - [ 0.333585400000000, 0.000000000000000, -0.018418330000000 ] - [ -0.000000000000000, 0.340183070000000, -0.000000000000000 ] - [ -0.025517630000000, 0.000000000000000, 0.458517010000000 ]- # 5 (H) - [ 0.333585400000000, 0.000000000000000, -0.018418330000000 ] - [ -0.000000000000000, 0.340183070000000, -0.000000000000000 ] - [ -0.025517630000000, 0.000000000000000, 0.458517010000000 ]- # 6 (H) - [ 0.789337930000000, -0.467950890000000, 0.351228140000000 ] - [ -0.499588250000000, 0.713176830000000, -0.365486520000000 ] - [ 0.357592330000000, -0.350072030000000, 0.578104020000000 ]- # 7 (Li) - [ 1.003782220000000, 0.000000000000000, 0.003413810000000 ] - [ -0.000000000000000, 1.028280350000000, -0.000000000000000 ] - [ 0.017085670000000, -0.000000000000000, 0.923296810000000 ]- # 8 (Li) - [ 1.003782220000000, 0.000000000000000, 0.003413810000000 ] - [ -0.000000000000000, 1.028280350000000, -0.000000000000000 ] - [ 0.017085670000000, -0.000000000000000, 0.923296810000000 ]- # 9 (O) - [ -1.491122770000000, 0.000000000000000, -0.357434660000000 ] - [ -0.000000000000000, -1.453522380000000, -0.000000000000000 ] - [ -0.339985930000000, 0.000000000000000, -1.281540640000000 ]- # 10 (O) - [ -1.491122770000000, 0.000000000000000, -0.357434660000000 ] - [ -0.000000000000000, -1.453522380000000, -0.000000000000000 ] - [ -0.339985930000000, 0.000000000000000, -1.281540640000000 ]- # 11 (O) - [ -1.424920710000000, 0.000000000000000, -0.330017100000000 ] - [ -0.000000000000000, -1.341294710000000, -0.000000000000000 ] - [ -0.366766780000000, 0.000000000000000, -1.256481230000000 ]- # 12 (O) - [ -1.424920710000000, 0.000000000000000, -0.330017100000000 ] - [ -0.000000000000000, -1.341294710000000, -0.000000000000000 ] - [ -0.366766780000000, 0.000000000000000, -1.256481230000000 ]dielectric_constant: - [ 2.386926910000000, 0.000000000000000, 0.124502650000000 ] - [ 0.000000000000000, 2.389911060000000, 0.000000000000000 ] - [ 0.124501290000000, 0.000000000000000, 2.373159610000000 ]displacements:- atom: 1 displacement: [ 0.0099998253914003, 0.0000000000000000, 0.0000590943441047 ] forces: - [ -0.1487000100000000, -0.0763393300000000, -0.0657055700000000 ] - [ 0.0006861800000000, 0.0000416000000000, 0.0008503300000000 ] - [ -0.0017318100000000, -0.0018345300000000, -0.0006554100000000 ] - [ 0.0007904500000000, 0.0001522800000000, 0.0009922400000000 ] - [ -0.0017392700000000, -0.0017301600000000, -0.0004156800000000 ] - [ 0.0007904200000000, 0.0001540700000000, 0.0009853000000000 ] - [ 0.0003775000000000, -0.0004583500000000, -0.0014436500000000 ] - [ 0.0006688400000000, -0.0009858900000000, 0.0000180500000000 ] - [ -0.0003980000000000, -0.0003610600000000, -0.0002554600000000 ] - [ 0.0003325100000000, -0.0006754000000000, -0.0002189800000000 ] - [ 0.0200027200000000, 0.0082748400000000, 0.0124215200000000 ] - [ 0.0002295400000000, -0.0005092300000000, -0.0004308700000000 ] - [ -0.0010692800000000, -0.0006824900000000, -0.0013174700000000 ] - [ 0.0006720000000000, 0.0009895400000000, 0.0000120200000000 ] - [ -0.0008561200000000, -0.0002912200000000, -0.0008251100000000 ] - [ 0.0003251600000000, 0.0006645500000000, -0.0002228500000000 ] - [ -0.0017469400000000, -0.0031180100000000, -0.0013721900000000 ] - [ 0.0002157900000000, 0.0005167500000000, -0.0004280600000000 ] - [ -0.0004555000000000, -0.0000353200000000, -0.0001873800000000 ] - [ -0.0002777900000000, 0.0000018000000000, 0.0000279500000000 ] - [ -0.0005511200000000, 0.0000724500000000, 0.0002290100000000 ] - [ -0.0003457000000000, 0.0000019500000000, 0.0000897700000000 ] - [ 0.0002968600000000, 0.0011588500000000, -0.0000768500000000 ] - [ -0.0002412000000000, -0.0000208900000000, -0.0001251400000000 ] - [ -0.0004078900000000, 0.0004423900000000, -0.0003225900000000 ] - [ 0.0005885700000000, 0.0000159100000000, 0.0000815000000000 ] - [ 0.0001337200000000, 0.0001094500000000, -0.0000752400000000 ] - [ 0.0005707900000000, 0.0000071300000000, 0.0001817800000000 ] - [ 0.0002797100000000, -0.0000130700000000, -0.0000469000000000 ] - [ 0.0005960500000000, 0.0000128300000000, 0.0001762500000000 ] - [ -0.0079487000000000, 0.0054504900000000, -0.0045305900000000 ] - [ 0.0006788500000000, -0.0000511900000000, 0.0008512000000000 ] - [ -0.0010237700000000, 0.0007848600000000, 0.0004319300000000 ] - [ 0.0007930100000000, -0.0001627000000000, 0.0009962800000000 ] - [ -0.0010183600000000, 0.0011021600000000, -0.0001802400000000 ] - [ 0.0007918900000000, -0.0001703500000000, 0.0009883500000000 ] - [ 0.0005686900000000, 0.0001263400000000, 0.0008381000000000 ] - [ 0.0005704400000000, -0.0000592900000000, 0.0008520500000000 ] - [ 0.0003427800000000, -0.0001086900000000, 0.0006852200000000 ] - [ 0.0009954000000000, 0.0000797100000000, 0.0010606700000000 ] - [ 0.0009969500000000, 0.0004794100000000, 0.0012153000000000 ] - [ 0.0003412300000000, -0.0001605400000000, 0.0006936500000000 ] - [ -0.0013702500000000, 0.0011815200000000, -0.0011804100000000 ] - [ 0.0001268900000000, -0.0004229300000000, -0.0004195400000000 ] - [ -0.0006722300000000, 0.0001305200000000, -0.0008397300000000 ] - [ 0.0003271100000000, -0.0005677300000000, -0.0002557800000000 ] - [ -0.0010225200000000, 0.0006134100000000, -0.0013418500000000 ] - [ 0.0002203200000000, -0.0004600200000000, -0.0003839900000000 ] - [ -0.0014225100000000, -0.0008755200000000, -0.0010110300000000 ] - [ 0.0001806800000000, 0.0004832800000000, -0.0003875900000000 ] - [ -0.0006849300000000, -0.0000603000000000, -0.0008518000000000 ] - [ 0.0004698900000000, 0.0007272800000000, -0.0001753200000000 ] - [ -0.0011808900000000, -0.0009816900000000, -0.0015886800000000 ] - [ 0.0004053900000000, 0.0006945100000000, -0.0001909500000000 ] - [ -0.0045657800000000, -0.0025479400000000, 0.0000039500000000 ] - [ -0.0002560400000000, -0.0000017900000000, 0.0000136900000000 ] - [ -0.0004577600000000, -0.0000298800000000, -0.0005819300000000 ] - [ -0.0001993800000000, -0.0000070700000000, 0.0001247600000000 ] - [ 0.0005363600000000, 0.0011580700000000, -0.0034999700000000 ] - [ -0.0002121300000000, -0.0000154000000000, -0.0000377600000000 ] - [ 0.0013715200000000, -0.0007423800000000, -0.0001347900000000 ] - [ 0.0006980400000000, 0.0000277800000000, -0.0000636000000000 ] - [ 0.0004525200000000, -0.0000800400000000, -0.0001424500000000 ] - [ 0.0008023900000000, -0.0000164500000000, 0.0004506000000000 ] - [ 0.0002876900000000, -0.0004773400000000, 0.0008022800000000 ] - [ 0.0004628500000000, -0.0000050500000000, 0.0001731700000000 ] - [ 0.0008139100000000, 0.0004029900000000, 0.0005374600000000 ] - [ 0.0008119500000000, -0.0001873000000000, 0.0012186700000000 ] - [ 0.0003377300000000, 0.0002222200000000, 0.0006504300000000 ] - [ 0.0008677000000000, -0.0000383100000000, 0.0009365200000000 ] - [ 0.0008698600000000, 0.0001487200000000, 0.0013086400000000 ] - [ 0.0003390800000000, 0.0001715100000000, 0.0006625800000000 ] - [ 0.0011420400000000, 0.0050688400000000, -0.0043405800000000 ] - [ 0.0005732100000000, 0.0001622400000000, 0.0000445400000000 ] - [ -0.0004049000000000, 0.0006383500000000, -0.0003085000000000 ] - [ 0.0005217800000000, 0.0002003800000000, 0.0002965400000000 ] - [ -0.0036879000000000, 0.0017258200000000, 0.0020811700000000 ] - [ 0.0004423900000000, 0.0001590400000000, 0.0002099400000000 ] - [ -0.0010074800000000, 0.0007228500000000, -0.0004356800000000 ] - [ 0.0005551600000000, -0.0001595800000000, 0.0000235600000000 ] - [ -0.0004496900000000, -0.0000366500000000, -0.0001602100000000 ] - [ 0.0005197800000000, -0.0001891400000000, 0.0002941000000000 ] - [ -0.0009125300000000, 0.0005579600000000, -0.0002357700000000 ] - [ 0.0004275600000000, -0.0001477800000000, 0.0002011300000000 ] - [ 0.0004709200000000, 0.0001255100000000, -0.0000649200000000 ] - [ 0.0033315200000000, 0.0025325300000000, -0.0000429700000000 ] - [ 0.0002311500000000, 0.0002507900000000, 0.0003534000000000 ] - [ -0.0000451700000000, 0.0005470100000000, 0.0010886500000000 ] - [ 0.0007495800000000, -0.0001814500000000, 0.0001782000000000 ] - [ 0.0003551100000000, 0.0004629000000000, -0.0002639100000000 ] - [ 0.0006462400000000, -0.0002539300000000, -0.0001220600000000 ] - [ 0.0052336600000000, -0.0025181900000000, 0.0020241400000000 ] - [ 0.0003027300000000, -0.0003400500000000, 0.0004317900000000 ] - [ -0.0001513100000000, -0.0005749600000000, 0.0008379200000000 ] - [ 0.0013802200000000, -0.0001531300000000, 0.0005380800000000 ] - [ 0.0004522600000000, -0.0003956900000000, -0.0004906300000000 ] - [ -0.0005321800000000, -0.0010869700000000, 0.0009256500000000 ] - [ -0.0008164300000000, 0.0001729500000000, -0.0000287500000000 ] - [ 0.0001777500000000, -0.0002352800000000, 0.0003202700000000 ] - [ -0.0009345800000000, -0.0000812900000000, -0.0003463600000000 ] - [ -0.0006854000000000, -0.0025608700000000, -0.0013522200000000 ] - [ -0.0003363100000000, -0.0000019500000000, 0.0002343300000000 ] - [ 0.0023024700000000, -0.0014157700000000, 0.0012653400000000 ] - [ -0.0007938400000000, -0.0000387400000000, -0.0006647400000000 ] - [ 0.0008007200000000, -0.0002426500000000, 0.0000616800000000 ] - [ -0.0010571900000000, -0.0000879700000000, -0.0009946600000000 ] - [ 0.0019611900000000, -0.0004651100000000, 0.0003429200000000 ] - [ -0.0009560300000000, -0.0001408900000000, -0.0008376800000000 ] - [ 0.0063048600000000, -0.0017866800000000, 0.0037437900000000 ] - [ -0.0007693700000000, 0.0003193000000000, -0.0002562200000000 ] - [ 0.0016646900000000, 0.0003238500000000, 0.0005720700000000 ] - [ -0.0011584200000000, 0.0000577100000000, -0.0006685600000000 ] - [ 0.0014447200000000, -0.0000318100000000, 0.0006195000000000 ] - [ -0.0008895200000000, 0.0003107300000000, -0.0005833600000000 ] - [ 0.1313782300000000, 0.0781524800000000, 0.0682728100000000 ] - [ -0.0007919200000000, -0.0003136100000000, -0.0002515900000000 ] - [ 0.0003123500000000, 0.0002227700000000, 0.0031179900000000 ] - [ -0.0011502500000000, -0.0000439400000000, -0.0006704800000000 ] - [ 0.0022039200000000, 0.0005197500000000, -0.0006920100000000 ] - [ -0.0008943400000000, -0.0002926500000000, -0.0005854600000000 ] - [ 0.0024789700000000, -0.0157617800000000, -0.0071518200000000 ] - [ -0.0007576600000000, 0.0000311200000000, 0.0000887900000000 ] - [ 0.0022140200000000, 0.0005964100000000, -0.0003014300000000 ] - [ -0.0008027000000000, 0.0000212900000000, -0.0002858000000000 ] - [ 0.0009362800000000, -0.0000587400000000, 0.0029503900000000 ] - [ -0.0011125400000000, 0.0000487100000000, -0.0001780800000000 ] - [ -0.0006508700000000, 0.0009672100000000, 0.0003778200000000 ] - [ -0.0025741200000000, -0.0000596500000000, -0.0012461900000000 ] - [ 0.0002413400000000, 0.0003917900000000, -0.0005685000000000 ] - [ -0.0008684700000000, 0.0000296500000000, -0.0013281500000000 ] - [ -0.0031183300000000, 0.0039778800000000, -0.0024270900000000 ] - [ -0.0007544200000000, -0.0000258000000000, -0.0004525400000000 ] - [ -0.0011603700000000, -0.0000481400000000, -0.0001738900000000 ] - [ -0.0010178300000000, 0.0020854200000000, 0.0005732800000000 ] - [ -0.0004850100000000, 0.0001803400000000, -0.0001503400000000 ] - [ -0.0000609800000000, 0.0019585300000000, -0.0008572700000000 ] - [ -0.0010146600000000, 0.0000906000000000, -0.0008981000000000 ] - [ 0.0002094700000000, 0.0006688200000000, 0.0001042600000000 ] - [ -0.0007545500000000, -0.0003400400000000, -0.0002312100000000 ] - [ -0.0002600700000000, -0.0015480000000000, 0.0006929100000000 ] - [ -0.0004305500000000, -0.0002666600000000, -0.0001738700000000 ] - [ -0.0003252100000000, -0.0024956000000000, -0.0008537200000000 ] - [ -0.0010676700000000, -0.0004991900000000, -0.0008517700000000 ] - [ 0.0002124000000000, -0.0007175300000000, 0.0000223000000000 ]- atom: 1 displacement: [ -0.0099998253914003, 0.0000000000000000, -0.0000590943441047 ] forces: - [ 0.1537432400000000, 0.0830881700000000, 0.0724705700000000 ] - [ -0.0002551700000000, -0.0005164000000000, 0.0003714300000000 ] - [ 0.0021482500000000, 0.0013489400000000, 0.0018758400000000 ] - [ -0.0003559100000000, -0.0006204700000000, 0.0002382000000000 ] - [ 0.0021434300000000, 0.0012411700000000, 0.0016397600000000 ] - [ -0.0003577600000000, -0.0006259800000000, 0.0002396700000000 ] - [ -0.0008142400000000, -0.0000158300000000, 0.0002203000000000 ] - [ -0.0010877500000000, 0.0005034200000000, -0.0012334900000000 ] - [ -0.0000266300000000, -0.0001188700000000, -0.0009603500000000 ] - [ -0.0007517300000000, 0.0001953900000000, -0.0010006500000000 ] - [ -0.0207173600000000, -0.0090489200000000, -0.0141303700000000 ] - [ -0.0006526900000000, 0.0000313500000000, -0.0007890900000000 ] - [ 0.0006294400000000, 0.0011483000000000, 0.0000891800000000 ] - [ -0.0010941600000000, -0.0005082500000000, -0.0012284000000000 ] - [ 0.0004257700000000, 0.0007616400000000, -0.0003984400000000 ] - [ -0.0007506900000000, -0.0001892800000000, -0.0009991300000000 ] - [ 0.0013049500000000, 0.0035729000000000, 0.0001322400000000 ] - [ -0.0006407800000000, -0.0000398700000000, -0.0007925300000000 ] - [ -0.0003622000000000, 0.0000323900000000, 0.0000482000000000 ] - [ -0.0005427700000000, -0.0000016500000000, -0.0001549400000000 ] - [ -0.0002752800000000, -0.0000714000000000, -0.0003558800000000 ] - [ -0.0004791000000000, -0.0000019500000000, -0.0002173600000000 ] - [ -0.0011104900000000, -0.0011402200000000, -0.0000510300000000 ] - [ -0.0005717200000000, 0.0000202200000000, -0.0000158200000000 ] - [ 0.0012230800000000, -0.0004287600000000, 0.0004397300000000 ] - [ 0.0002307800000000, -0.0000157000000000, 0.0000544200000000 ] - [ 0.0006865000000000, -0.0001085900000000, 0.0002091100000000 ] - [ 0.0002562700000000, -0.0000070600000000, -0.0000509600000000 ] - [ 0.0005334000000000, 0.0000121100000000, 0.0001866300000000 ] - [ 0.0002275100000000, -0.0000130400000000, -0.0000469700000000 ] - [ 0.0083033600000000, -0.0049559200000000, 0.0056816900000000 ] - [ -0.0002441600000000, 0.0005228700000000, 0.0003725900000000 ] - [ 0.0014396300000000, -0.0003052800000000, 0.0007940900000000 ] - [ -0.0003563100000000, 0.0006291000000000, 0.0002352300000000 ] - [ 0.0014346600000000, -0.0006233500000000, 0.0013978900000000 ] - [ -0.0003536100000000, 0.0006382700000000, 0.0002386900000000 ] - [ -0.0001390300000000, -0.0005991600000000, 0.0003833500000000 ] - [ -0.0001363300000000, -0.0004116000000000, 0.0003734400000000 ] - [ 0.0000904100000000, -0.0003607900000000, 0.0005417400000000 ] - [ -0.0005573400000000, -0.0005494000000000, 0.0001695600000000 ] - [ -0.0005552300000000, -0.0009414100000000, 0.0000172100000000 ] - [ 0.0000889600000000, -0.0003119900000000, 0.0005301000000000 ] - [ 0.0009231400000000, -0.0016334400000000, -0.0000528400000000 ] - [ -0.0005554100000000, -0.0000500600000000, -0.0008039600000000 ] - [ 0.0002398600000000, -0.0005996500000000, -0.0003868600000000 ] - [ -0.0007484400000000, 0.0000896400000000, -0.0009644600000000 ] - [ 0.0005843200000000, -0.0010787900000000, 0.0001122900000000 ] - [ -0.0006480500000000, -0.0000149200000000, -0.0008369700000000 ] - [ 0.0009749100000000, 0.0013374600000000, -0.0002239600000000 ] - [ -0.0006039900000000, -0.0000063600000000, -0.0008329600000000 ] - [ 0.0002512400000000, 0.0005296500000000, -0.0003751300000000 ] - [ -0.0008891400000000, -0.0002460900000000, -0.0010430700000000 ] - [ 0.0007329100000000, 0.0014457400000000, 0.0003570500000000 ] - [ -0.0008257600000000, -0.0002136100000000, -0.0010244900000000 ] - [ 0.0036383300000000, 0.0024073300000000, -0.0001582300000000 ] - [ -0.0005661300000000, 0.0000019400000000, -0.0001361000000000 ] - [ -0.0003647900000000, 0.0000298100000000, 0.0004415300000000 ] - [ -0.0006279500000000, 0.0000068000000000, -0.0002468100000000 ] - [ -0.0013660200000000, -0.0011540300000000, 0.0033188900000000 ] - [ -0.0005997700000000, 0.0000149800000000, -0.0001026600000000 ] - [ -0.0005578100000000, 0.0007385200000000, 0.0002584400000000 ] - [ 0.0001242300000000, -0.0000272000000000, 0.0001939600000000 ] - [ 0.0003677400000000, 0.0000787200000000, 0.0002802700000000 ] - [ 0.0000214100000000, 0.0000162600000000, -0.0003065400000000 ] - [ 0.0005395500000000, 0.0004671900000000, -0.0006591200000000 ] - [ 0.0003621000000000, 0.0000048300000000, -0.0000491400000000 ] - [ -0.0003792500000000, 0.0000810200000000, 0.0006755600000000 ] - [ -0.0003725700000000, 0.0006544100000000, 0.0000123300000000 ] - [ 0.0000884800000000, 0.0002514200000000, 0.0005747200000000 ] - [ -0.0004345700000000, 0.0005118000000000, 0.0002902100000000 ] - [ -0.0004296200000000, 0.0003216400000000, -0.0000728100000000 ] - [ 0.0000909300000000, 0.0003015500000000, 0.0005600700000000 ] - [ -0.0011023200000000, -0.0046319100000000, 0.0041656300000000 ] - [ -0.0005451300000000, 0.0002714900000000, -0.0001599400000000 ] - [ 0.0003971200000000, -0.0001507400000000, 0.0003166800000000 ] - [ -0.0005163900000000, 0.0002859500000000, -0.0002922000000000 ] - [ 0.0036429300000000, -0.0012142600000000, -0.0018864100000000 ] - [ -0.0004633700000000, 0.0002743100000000, -0.0000831300000000 ] - [ 0.0010150300000000, -0.0011294000000000, 0.0003061900000000 ] - [ -0.0005244100000000, -0.0002675500000000, -0.0001498900000000 ] - [ 0.0004465500000000, -0.0004479600000000, 0.0001564000000000 ] - [ -0.0005126600000000, -0.0002918100000000, -0.0002939900000000 ] - [ 0.0008851400000000, -0.0009829800000000, 0.0003497200000000 ] - [ -0.0004461100000000, -0.0002799300000000, -0.0000825300000000 ] - [ -0.0004484400000000, 0.0003077700000000, -0.0000518800000000 ] - [ -0.0032607100000000, -0.0020724200000000, -0.0000722800000000 ] - [ -0.0002281100000000, 0.0002290900000000, -0.0003427100000000 ] - [ 0.0000455700000000, -0.0000592400000000, -0.0010720800000000 ] - [ -0.0007678300000000, 0.0006211000000000, -0.0000552200000000 ] - [ -0.0003775100000000, -0.0000378300000000, 0.0003838100000000 ] - [ -0.0006209600000000, -0.0001859500000000, -0.0000020700000000 ] - [ -0.0051369000000000, 0.0020513700000000, -0.0021101700000000 ] - [ -0.0002955300000000, -0.0001436600000000, -0.0004301300000000 ] - [ 0.0001538500000000, 0.0000901600000000, -0.0008345000000000 ] - [ -0.0013821900000000, -0.0002876400000000, -0.0004113200000000 ] - [ -0.0004723300000000, -0.0000308000000000, 0.0006015600000000 ] - [ 0.0006519600000000, 0.0010706700000000, -0.0001213700000000 ] - [ 0.0009312500000000, -0.0001695300000000, 0.0007989600000000 ] - [ -0.0000605900000000, 0.0002330000000000, 0.0003988300000000 ] - [ 0.0010551200000000, 0.0000719100000000, 0.0010591400000000 ] - [ 0.0008166100000000, 0.0025272600000000, 0.0020575100000000 ] - [ 0.0004670600000000, -0.0000077000000000, 0.0005068500000000 ] - [ -0.0024344700000000, 0.0013857800000000, -0.0019643700000000 ] - [ 0.0006562400000000, 0.0000415700000000, -0.0000741400000000 ] - [ -0.0009081600000000, 0.0002413100000000, -0.0007866100000000 ] - [ 0.0009171500000000, 0.0000809700000000, 0.0002643300000000 ] - [ -0.0020549100000000, 0.0004536700000000, -0.0011264000000000 ] - [ 0.0008206300000000, 0.0001280000000000, 0.0000572600000000 ] - [ -0.0062518100000000, 0.0024187500000000, -0.0036894000000000 ] - [ 0.0007642200000000, 0.0003391100000000, 0.0002467900000000 ] - [ -0.0016472300000000, 0.0003198000000000, -0.0005438500000000 ] - [ 0.0011403400000000, 0.0005942400000000, 0.0007052000000000 ] - [ -0.0014306600000000, 0.0006673900000000, -0.0006482800000000 ] - [ 0.0008850900000000, 0.0003503100000000, 0.0005421200000000 ] - [ -0.1358272200000000, -0.0854017500000000, -0.0729947600000000 ] - [ 0.0007839500000000, -0.0003354600000000, 0.0002562900000000 ] - [ -0.0003047700000000, -0.0008583200000000, -0.0030886800000000 ] - [ 0.0011346000000000, -0.0005971800000000, 0.0006966600000000 ] - [ -0.0021819100000000, -0.0011578900000000, 0.0006366000000000 ] - [ 0.0008908800000000, -0.0003451000000000, 0.0005390300000000 ] - [ -0.0021640000000000, 0.0154707900000000, 0.0076675000000000 ] - [ 0.0008805100000000, -0.0000181100000000, 0.0006821400000000 ] - [ -0.0020796300000000, -0.0005911700000000, 0.0010123500000000 ] - [ 0.0009217100000000, -0.0000224100000000, 0.0009929600000000 ] - [ -0.0007727800000000, 0.0000630800000000, -0.0021919900000000 ] - [ 0.0012407300000000, -0.0000537500000000, 0.0009177100000000 ] - [ 0.0005179700000000, -0.0009469500000000, -0.0011046700000000 ] - [ 0.0024067000000000, 0.0000574100000000, 0.0005015800000000 ] - [ -0.0003616900000000, -0.0003854700000000, -0.0001682400000000 ] - [ 0.0007432000000000, -0.0000294900000000, 0.0005883700000000 ] - [ 0.0029670900000000, -0.0039090600000000, 0.0016491300000000 ] - [ 0.0006185200000000, 0.0000201800000000, -0.0003179700000000 ] - [ 0.0011483200000000, 0.0006919000000000, 0.0001651400000000 ] - [ 0.0010073500000000, -0.0013960000000000, -0.0005680700000000 ] - [ 0.0004749400000000, 0.0004539400000000, 0.0001922600000000 ] - [ 0.0000621700000000, -0.0012908500000000, 0.0008805000000000 ] - [ 0.0010042200000000, 0.0005551400000000, 0.0008534600000000 ] - [ -0.0002041000000000, -0.0000175300000000, -0.0001312700000000 ] - [ 0.0007492900000000, -0.0003214400000000, 0.0002413300000000 ] - [ 0.0002549200000000, 0.0008741400000000, -0.0006826200000000 ] - [ 0.0004257900000000, -0.0003892600000000, 0.0001972400000000 ] - [ 0.0003191000000000, 0.0018177000000000, 0.0008740100000000 ] - [ 0.0010573600000000, -0.0001492800000000, 0.0008044700000000 ] - [ -0.0002073500000000, 0.0000668000000000, -0.0000573000000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0760190800000000, -0.1268581400000000, -0.0449382700000000 ] - [ 0.0004894600000000, -0.0001056500000000, 0.0007190000000000 ] - [ -0.0012817700000000, -0.0016734800000000, -0.0000387500000000 ] - [ 0.0006010300000000, 0.0000221600000000, 0.0008693900000000 ] - [ -0.0013886600000000, -0.0016697400000000, 0.0002771900000000 ] - [ 0.0005965000000000, 0.0000196500000000, 0.0008667300000000 ] - [ 0.0000155200000000, -0.0006486900000000, -0.0009358600000000 ] - [ 0.0005363800000000, -0.0010111100000000, -0.0000449100000000 ] - [ -0.0000906500000000, -0.0005936400000000, -0.0001939600000000 ] - [ 0.0002295800000000, -0.0006492700000000, -0.0002856100000000 ] - [ -0.0086815200000000, -0.0198695800000000, -0.0056489100000000 ] - [ 0.0000624600000000, -0.0004695600000000, -0.0004956100000000 ] - [ -0.0011319700000000, -0.0004253100000000, -0.0009423500000000 ] - [ 0.0005435500000000, 0.0009469700000000, -0.0000630900000000 ] - [ -0.0007352100000000, -0.0002342900000000, -0.0008256300000000 ] - [ 0.0002158500000000, 0.0006112600000000, -0.0002921600000000 ] - [ -0.0035623500000000, -0.0021441600000000, -0.0029608300000000 ] - [ 0.0000701900000000, 0.0004213200000000, -0.0005210000000000 ] - [ -0.0004097400000000, 0.0000010600000000, -0.0001542200000000 ] - [ -0.0003476800000000, 0.0000495900000000, -0.0000699500000000 ] - [ -0.0004599000000000, 0.0000857300000000, 0.0000838700000000 ] - [ -0.0003817600000000, 0.0000222000000000, 0.0000280800000000 ] - [ -0.0002969900000000, 0.0007663100000000, -0.0000709900000000 ] - [ -0.0003644700000000, 0.0000484500000000, -0.0000894400000000 ] - [ -0.0001144100000000, 0.0014806800000000, -0.0000260800000000 ] - [ 0.0005223200000000, 0.0000227800000000, 0.0000733800000000 ] - [ 0.0003089300000000, 0.0001335000000000, -0.0001794000000000 ] - [ 0.0005091800000000, 0.0000086800000000, 0.0001385400000000 ] - [ 0.0002850300000000, -0.0000998500000000, 0.0001029700000000 ] - [ 0.0005253400000000, 0.0000154100000000, 0.0001435000000000 ] - [ -0.0050178600000000, 0.0107771000000000, -0.0031314300000000 ] - [ 0.0004987100000000, 0.0000681400000000, 0.0007430600000000 ] - [ -0.0006601800000000, 0.0006648900000000, 0.0008225600000000 ] - [ 0.0006145200000000, -0.0000478800000000, 0.0008838800000000 ] - [ -0.0003346400000000, 0.0006645100000000, 0.0000824000000000 ] - [ 0.0006083500000000, -0.0000503000000000, 0.0008751100000000 ] - [ 0.0003851700000000, 0.0000926200000000, 0.0007898000000000 ] - [ 0.0005728900000000, 0.0000929200000000, 0.0008999500000000 ] - [ 0.0002884500000000, -0.0001255700000000, 0.0006713800000000 ] - [ 0.0009226500000000, 0.0000866800000000, 0.0010157800000000 ] - [ 0.0005326100000000, 0.0000928500000000, 0.0008831200000000 ] - [ 0.0003361600000000, -0.0001278900000000, 0.0007010500000000 ] - [ -0.0016165500000000, 0.0013764900000000, -0.0014279600000000 ] - [ -0.0000248000000000, -0.0003196400000000, -0.0005170400000000 ] - [ -0.0005752700000000, 0.0001011500000000, -0.0007546600000000 ] - [ 0.0001195300000000, -0.0004026300000000, -0.0003964100000000 ] - [ -0.0010532000000000, 0.0008139000000000, -0.0013820200000000 ] - [ 0.0000132600000000, -0.0003187900000000, -0.0005072700000000 ] - [ -0.0013122200000000, -0.0000743100000000, -0.0017018400000000 ] - [ 0.0000371500000000, 0.0003890400000000, -0.0004853400000000 ] - [ -0.0005050300000000, 0.0000728200000000, -0.0007096900000000 ] - [ 0.0002799100000000, 0.0005914600000000, -0.0003049700000000 ] - [ -0.0014272100000000, 0.0004457400000000, -0.0005966000000000 ] - [ 0.0002468000000000, 0.0006259300000000, -0.0002338300000000 ] - [ -0.0010902300000000, -0.0002783100000000, 0.0033983900000000 ] - [ -0.0003043400000000, -0.0000027100000000, -0.0000144400000000 ] - [ -0.0004687500000000, -0.0000450400000000, -0.0003912000000000 ] - [ -0.0002632800000000, -0.0000091400000000, 0.0000693800000000 ] - [ 0.0009180200000000, -0.0006131700000000, -0.0031688200000000 ] - [ -0.0002768800000000, -0.0000229100000000, -0.0000614000000000 ] - [ 0.0005924000000000, -0.0007685300000000, -0.0003968600000000 ] - [ 0.0005385300000000, -0.0000537200000000, -0.0001126000000000 ] - [ 0.0003970500000000, -0.0000811400000000, 0.0000013400000000 ] - [ 0.0008063700000000, -0.0000545400000000, 0.0004530600000000 ] - [ 0.0002952400000000, -0.0004703300000000, 0.0006196000000000 ] - [ 0.0004364600000000, -0.0000024300000000, 0.0001909900000000 ] - [ 0.0006360200000000, 0.0005896500000000, 0.0004297900000000 ] - [ 0.0000539200000000, 0.0005816500000000, 0.0003144400000000 ] - [ 0.0002736200000000, 0.0002471000000000, 0.0006344700000000 ] - [ 0.0002972900000000, 0.0004352000000000, 0.0007059800000000 ] - [ 0.0004896300000000, 0.0004336500000000, 0.0010163800000000 ] - [ 0.0002232100000000, 0.0002476500000000, 0.0006566600000000 ] - [ 0.0034986000000000, 0.0051106200000000, -0.0034983500000000 ] - [ 0.0002784900000000, 0.0001197200000000, -0.0000560500000000 ] - [ -0.0002487700000000, 0.0005129700000000, -0.0000187900000000 ] - [ 0.0002899700000000, 0.0001708800000000, 0.0001781500000000 ] - [ -0.0002622300000000, 0.0039645500000000, 0.0035301400000000 ] - [ 0.0002437000000000, 0.0001596700000000, 0.0001649500000000 ] - [ -0.0006126900000000, 0.0012987200000000, 0.0002470500000000 ] - [ 0.0003149100000000, -0.0000841900000000, -0.0000362700000000 ] - [ -0.0002710200000000, 0.0001066000000000, 0.0000308800000000 ] - [ 0.0003123800000000, -0.0001432100000000, 0.0001924600000000 ] - [ -0.0001589000000000, 0.0008988800000000, -0.0006523800000000 ] - [ 0.0002433500000000, -0.0001294000000000, 0.0001472600000000 ] - [ 0.0001964600000000, 0.0002042400000000, -0.0000864200000000 ] - [ 0.0031027600000000, 0.0031943400000000, -0.0001628900000000 ] - [ 0.0001491600000000, 0.0002208300000000, 0.0002581500000000 ] - [ 0.0000450200000000, 0.0007080500000000, 0.0010799300000000 ] - [ 0.0004957200000000, -0.0001013200000000, 0.0000603500000000 ] - [ 0.0002674400000000, 0.0004350400000000, -0.0002204200000000 ] - [ 0.0003998500000000, -0.0003665000000000, -0.0001823100000000 ] - [ 0.0011893100000000, -0.0044022900000000, -0.0006975500000000 ] - [ 0.0002207900000000, -0.0003225300000000, 0.0003327700000000 ] - [ -0.0000138500000000, -0.0009233500000000, 0.0006972800000000 ] - [ 0.0013243700000000, -0.0002934900000000, 0.0006339800000000 ] - [ -0.0000134500000000, -0.0007340600000000, 0.0000106500000000 ] - [ -0.0003299900000000, -0.0011533200000000, 0.0006096200000000 ] - [ -0.0001822500000000, -0.0003970100000000, 0.0003664100000000 ] - [ 0.0000985600000000, -0.0002511900000000, 0.0002926200000000 ] - [ -0.0005134600000000, -0.0003430000000000, -0.0000352500000000 ] - [ -0.0001425900000000, -0.0016676200000000, -0.0001020300000000 ] - [ -0.0001438800000000, -0.0000933200000000, 0.0002520600000000 ] - [ 0.0013893600000000, -0.0031715500000000, 0.0013829200000000 ] - [ -0.0004684600000000, -0.0000480800000000, -0.0005170500000000 ] - [ 0.0004733900000000, -0.0003049200000000, -0.0001449800000000 ] - [ -0.0006935200000000, -0.0000980600000000, -0.0007790800000000 ] - [ 0.0013329400000000, -0.0015194000000000, -0.0003479200000000 ] - [ -0.0006297100000000, -0.0001887300000000, -0.0006930500000000 ] - [ 0.0054907600000000, -0.0031024800000000, 0.0036473900000000 ] - [ -0.0004787200000000, 0.0002683500000000, -0.0001297600000000 ] - [ 0.0014082500000000, 0.0000590800000000, -0.0000940600000000 ] - [ -0.0008828600000000, -0.0000485300000000, -0.0005103700000000 ] - [ 0.0007450700000000, 0.0001121500000000, 0.0005454800000000 ] - [ -0.0006316900000000, 0.0002389400000000, -0.0004408100000000 ] - [ 0.0982893000000000, 0.1331186500000000, 0.0622376000000000 ] - [ -0.0004640900000000, -0.0002214300000000, -0.0001226500000000 ] - [ 0.0002219500000000, 0.0007111700000000, 0.0019430200000000 ] - [ -0.0008746800000000, 0.0000876900000000, -0.0005208500000000 ] - [ 0.0014538200000000, 0.0005140600000000, -0.0012087800000000 ] - [ -0.0006337600000000, -0.0001905100000000, -0.0004472500000000 ] - [ -0.0136173600000000, -0.0039839200000000, -0.0072861700000000 ] - [ -0.0004105200000000, 0.0000530700000000, 0.0002414300000000 ] - [ 0.0017010300000000, 0.0005948100000000, -0.0007023900000000 ] - [ -0.0005421100000000, 0.0000351300000000, -0.0000950500000000 ] - [ 0.0004991700000000, 0.0009973300000000, 0.0021606800000000 ] - [ -0.0007467500000000, 0.0000652600000000, -0.0000109500000000 ] - [ 0.0000062600000000, 0.0009545000000000, 0.0001988700000000 ] - [ -0.0027607600000000, 0.0002618600000000, -0.0010334200000000 ] - [ 0.0001059400000000, 0.0004800800000000, -0.0006547700000000 ] - [ -0.0007699700000000, 0.0001072600000000, -0.0012675200000000 ] - [ -0.0029929600000000, 0.0078518800000000, -0.0024727500000000 ] - [ -0.0004798300000000, 0.0000794200000000, -0.0004118300000000 ] - [ -0.0009769600000000, -0.0001028900000000, -0.0000847900000000 ] - [ 0.0010097500000000, 0.0007545900000000, 0.0005029500000000 ] - [ -0.0002903200000000, 0.0002291500000000, -0.0000751700000000 ] - [ 0.0004225100000000, 0.0014248400000000, 0.0001246500000000 ] - [ -0.0006292100000000, -0.0000108400000000, -0.0006277000000000 ] - [ 0.0002051800000000, 0.0005866100000000, -0.0000859200000000 ] - [ -0.0004029400000000, -0.0004040900000000, -0.0001050500000000 ] - [ -0.0002203800000000, -0.0017470200000000, 0.0007033000000000 ] - [ -0.0002339700000000, -0.0003236800000000, -0.0001123400000000 ] - [ 0.0000042900000000, -0.0026442000000000, -0.0005475800000000 ] - [ -0.0005911700000000, -0.0002881800000000, -0.0005157100000000 ] - [ 0.0001573600000000, -0.0007121100000000, -0.0000683800000000 ]- atom: 1 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0828287000000000, 0.1293637500000000, 0.0502319100000000 ] - [ -0.0000606400000000, -0.0003705100000000, 0.0005018600000000 ] - [ 0.0016870600000000, 0.0011797600000000, 0.0012490800000000 ] - [ -0.0001681600000000, -0.0004915100000000, 0.0003600500000000 ] - [ 0.0017948500000000, 0.0011826500000000, 0.0009471400000000 ] - [ -0.0001681100000000, -0.0004947300000000, 0.0003564000000000 ] - [ -0.0004374500000000, 0.0001701200000000, -0.0002972100000000 ] - [ -0.0009505700000000, 0.0005241100000000, -0.0011674500000000 ] - [ -0.0003329900000000, 0.0001129900000000, -0.0010217500000000 ] - [ -0.0006430500000000, 0.0001643400000000, -0.0009302500000000 ] - [ 0.0085733300000000, 0.0195223700000000, 0.0046304400000000 ] - [ -0.0004830900000000, -0.0000099800000000, -0.0007233100000000 ] - [ 0.0006891900000000, 0.0008848000000000, -0.0002892800000000 ] - [ -0.0009557800000000, -0.0004560900000000, -0.0011473000000000 ] - [ 0.0003076600000000, 0.0007068500000000, -0.0003979000000000 ] - [ -0.0006390100000000, -0.0001344000000000, -0.0009285100000000 ] - [ 0.0030974100000000, 0.0025846300000000, 0.0017140700000000 ] - [ -0.0004915600000000, 0.0000582900000000, -0.0006979600000000 ] - [ -0.0004070400000000, -0.0000039900000000, 0.0000125400000000 ] - [ -0.0004715800000000, -0.0000493000000000, -0.0000590200000000 ] - [ -0.0003657500000000, -0.0000843200000000, -0.0002126300000000 ] - [ -0.0004417500000000, -0.0000220000000000, -0.0001584500000000 ] - [ -0.0005115500000000, -0.0007394500000000, -0.0000601300000000 ] - [ -0.0004472400000000, -0.0000485800000000, -0.0000545500000000 ] - [ 0.0009361200000000, -0.0014854600000000, 0.0001420700000000 ] - [ 0.0002963100000000, -0.0000222300000000, 0.0000642700000000 ] - [ 0.0005092800000000, -0.0001320600000000, 0.0003187100000000 ] - [ 0.0003180800000000, -0.0000085200000000, -0.0000070400000000 ] - [ 0.0005272100000000, 0.0001019000000000, 0.0000385400000000 ] - [ 0.0002982800000000, -0.0000153900000000, -0.0000129900000000 ] - [ 0.0053499600000000, -0.0100916400000000, 0.0042857600000000 ] - [ -0.0000673200000000, 0.0004058300000000, 0.0004794600000000 ] - [ 0.0010753000000000, -0.0001867700000000, 0.0004027700000000 ] - [ -0.0001845900000000, 0.0005206900000000, 0.0003440000000000 ] - [ 0.0007524100000000, -0.0001859500000000, 0.0011329300000000 ] - [ -0.0001711700000000, 0.0005186900000000, 0.0003516500000000 ] - [ 0.0000402000000000, -0.0005678600000000, 0.0004302600000000 ] - [ -0.0001426300000000, -0.0005664600000000, 0.0003234100000000 ] - [ 0.0001422800000000, -0.0003454500000000, 0.0005546200000000 ] - [ -0.0004870300000000, -0.0005568200000000, 0.0002141900000000 ] - [ -0.0000892800000000, -0.0005519700000000, 0.0003504200000000 ] - [ 0.0000913100000000, -0.0003466900000000, 0.0005211300000000 ] - [ 0.0011830000000000, -0.0018423000000000, 0.0002036900000000 ] - [ -0.0004008200000000, -0.0001551900000000, -0.0007046900000000 ] - [ 0.0001466800000000, -0.0005730000000000, -0.0004702900000000 ] - [ -0.0005394800000000, -0.0000759100000000, -0.0008232600000000 ] - [ 0.0006238300000000, -0.0012855000000000, 0.0001567300000000 ] - [ -0.0004362400000000, -0.0001591900000000, -0.0007116400000000 ] - [ 0.0008803200000000, 0.0005433800000000, 0.0004813400000000 ] - [ -0.0004556800000000, 0.0000917300000000, -0.0007325900000000 ] - [ 0.0000765700000000, 0.0004014800000000, -0.0005145100000000 ] - [ -0.0006956200000000, -0.0001071300000000, -0.0009111200000000 ] - [ 0.0009945300000000, 0.0000268000000000, -0.0006318100000000 ] - [ -0.0006632300000000, -0.0001419200000000, -0.0009798300000000 ] - [ 0.0002292300000000, 0.0002452500000000, -0.0034861700000000 ] - [ -0.0005161800000000, 0.0000030200000000, -0.0001113000000000 ] - [ -0.0003538500000000, 0.0000441300000000, 0.0002510400000000 ] - [ -0.0005619900000000, 0.0000090500000000, -0.0001951300000000 ] - [ -0.0017360200000000, 0.0005859400000000, 0.0029975800000000 ] - [ -0.0005349300000000, 0.0000224900000000, -0.0000797100000000 ] - [ 0.0002333600000000, 0.0007560600000000, 0.0005279700000000 ] - [ 0.0002803000000000, 0.0000539100000000, 0.0002444600000000 ] - [ 0.0004248200000000, 0.0000795100000000, 0.0001348700000000 ] - [ 0.0000190600000000, 0.0000545400000000, -0.0003057100000000 ] - [ 0.0005249500000000, 0.0004636500000000, -0.0004805100000000 ] - [ 0.0003867100000000, 0.0000024300000000, -0.0000629000000000 ] - [ -0.0002022400000000, -0.0001021300000000, 0.0007822400000000 ] - [ 0.0003789300000000, -0.0001108100000000, 0.0009093200000000 ] - [ 0.0001489600000000, 0.0002304900000000, 0.0005885700000000 ] - [ 0.0001339400000000, 0.0000387500000000, 0.0005205100000000 ] - [ -0.0000508200000000, 0.0000390800000000, 0.0002196000000000 ] - [ 0.0002020900000000, 0.0002293800000000, 0.0005639000000000 ] - [ -0.0035455600000000, -0.0046534500000000, 0.0033416300000000 ] - [ -0.0002504300000000, 0.0003188600000000, -0.0000606100000000 ] - [ 0.0002414900000000, -0.0000170300000000, 0.0000230000000000 ] - [ -0.0002847300000000, 0.0003169200000000, -0.0001728800000000 ] - [ 0.0001786400000000, -0.0034945600000000, -0.0033902400000000 ] - [ -0.0002641500000000, 0.0002829700000000, -0.0000381400000000 ] - [ 0.0006133500000000, -0.0017216000000000, -0.0003704100000000 ] - [ -0.0002834700000000, -0.0003431500000000, -0.0000898300000000 ] - [ 0.0002676200000000, -0.0005955800000000, -0.0000367600000000 ] - [ -0.0003044600000000, -0.0003398800000000, -0.0001936500000000 ] - [ 0.0001308900000000, -0.0013236600000000, 0.0007599100000000 ] - [ -0.0002619800000000, -0.0003010000000000, -0.0000283500000000 ] - [ -0.0001717000000000, 0.0002268800000000, -0.0000290000000000 ] - [ -0.0030380700000000, -0.0027091400000000, 0.0000407900000000 ] - [ -0.0001460800000000, 0.0002651200000000, -0.0002493400000000 ] - [ -0.0000472800000000, -0.0001956300000000, -0.0010614300000000 ] - [ -0.0005157400000000, 0.0005461200000000, 0.0000631200000000 ] - [ -0.0002904200000000, 0.0000138300000000, 0.0003392400000000 ] - [ -0.0003714400000000, -0.0000785800000000, 0.0000587900000000 ] - [ -0.0011433000000000, 0.0039264100000000, 0.0005631000000000 ] - [ -0.0002133500000000, -0.0001666800000000, -0.0003314100000000 ] - [ 0.0000138600000000, 0.0004161600000000, -0.0006902600000000 ] - [ -0.0013275200000000, -0.0001486800000000, -0.0005076600000000 ] - [ -0.0000101700000000, 0.0002813200000000, 0.0001021900000000 ] - [ 0.0004378200000000, 0.0011326700000000, 0.0001964200000000 ] - [ 0.0002874400000000, 0.0003984200000000, 0.0004045900000000 ] - [ 0.0000087400000000, 0.0002488100000000, 0.0004244700000000 ] - [ 0.0006206400000000, 0.0003357300000000, 0.0007481600000000 ] - [ 0.0002626400000000, 0.0016163100000000, 0.0007967600000000 ] - [ 0.0002596800000000, 0.0000850700000000, 0.0004908700000000 ] - [ -0.0015142500000000, 0.0031775000000000, -0.0021004300000000 ] - [ 0.0003379900000000, 0.0000527500000000, -0.0002201300000000 ] - [ -0.0005676100000000, 0.0003034900000000, -0.0005786000000000 ] - [ 0.0005607700000000, 0.0000923500000000, 0.0000522100000000 ] - [ -0.0014198300000000, 0.0015079100000000, -0.0004293100000000 ] - [ 0.0005034700000000, 0.0001757900000000, -0.0000834900000000 ] - [ -0.0054091500000000, 0.0036944700000000, -0.0035888900000000 ] - [ 0.0004727200000000, 0.0003727200000000, 0.0001196800000000 ] - [ -0.0013855600000000, 0.0005860800000000, 0.0001226000000000 ] - [ 0.0008612300000000, 0.0006614900000000, 0.0005457800000000 ] - [ -0.0007337600000000, 0.0005061400000000, -0.0005686600000000 ] - [ 0.0006257800000000, 0.0004146900000000, 0.0003986700000000 ] - [ -0.1045326000000000, -0.1370242900000000, -0.0662253100000000 ] - [ 0.0004547900000000, -0.0004155400000000, 0.0001285000000000 ] - [ -0.0002161500000000, -0.0013401800000000, -0.0018842700000000 ] - [ 0.0008558400000000, -0.0007174500000000, 0.0005441100000000 ] - [ -0.0014299000000000, -0.0011513900000000, 0.0011544700000000 ] - [ 0.0006284700000000, -0.0004244400000000, 0.0003994000000000 ] - [ 0.0134242700000000, 0.0040205100000000, 0.0078437700000000 ] - [ 0.0005200700000000, -0.0000401500000000, 0.0005260600000000 ] - [ -0.0015688900000000, -0.0005860700000000, 0.0014151800000000 ] - [ 0.0006473200000000, -0.0000338400000000, 0.0007982800000000 ] - [ -0.0003530200000000, -0.0009799400000000, -0.0014087600000000 ] - [ 0.0008655000000000, -0.0000716300000000, 0.0007486600000000 ] - [ -0.0001417100000000, -0.0009276500000000, -0.0009192500000000 ] - [ 0.0025919800000000, -0.0002572700000000, 0.0002890500000000 ] - [ -0.0002162500000000, -0.0004709800000000, -0.0000754900000000 ] - [ 0.0006527900000000, -0.0001068100000000, 0.0005223700000000 ] - [ 0.0028844400000000, -0.0078393000000000, 0.0016968300000000 ] - [ 0.0003572400000000, -0.0000841000000000, -0.0003571100000000 ] - [ 0.0009631600000000, 0.0007339500000000, 0.0000753600000000 ] - [ -0.0010137400000000, -0.0000944800000000, -0.0004955600000000 ] - [ 0.0002786600000000, 0.0003870900000000, 0.0001157100000000 ] - [ -0.0004270600000000, -0.0007807000000000, -0.0001011600000000 ] - [ 0.0006175700000000, 0.0006412300000000, 0.0005834800000000 ] - [ -0.0001983200000000, 0.0000408700000000, 0.0000569900000000 ] - [ 0.0003978100000000, -0.0002368800000000, 0.0001140800000000 ] - [ 0.0002118200000000, 0.0010994500000000, -0.0006915300000000 ] - [ 0.0002289400000000, -0.0003200800000000, 0.0001326900000000 ] - [ -0.0000122300000000, 0.0019881100000000, 0.0005674700000000 ] - [ 0.0005776900000000, -0.0003567100000000, 0.0004701600000000 ] - [ -0.0001510600000000, 0.0000787000000000, 0.0000306900000000 ]- atom: 1 displacement: [ -0.0035913823858773, 0.0000000000000000, 0.0093328437551697 ] forces: - [ -0.0101446000000000, -0.0167572400000000, -0.0538470300000000 ] - [ 0.0002685500000000, -0.0002350300000000, 0.0006096000000000 ] - [ -0.0000524300000000, 0.0000261000000000, 0.0018194700000000 ] - [ 0.0003564700000000, -0.0001345200000000, 0.0007141200000000 ] - [ -0.0002732900000000, -0.0003039800000000, 0.0017187400000000 ] - [ 0.0003612300000000, -0.0001363700000000, 0.0007137700000000 ] - [ -0.0012123500000000, 0.0001488600000000, -0.0008533100000000 ] - [ 0.0000527200000000, -0.0004935700000000, -0.0004366600000000 ] - [ 0.0001740600000000, -0.0005758500000000, -0.0001712500000000 ] - [ -0.0000447600000000, -0.0003803900000000, -0.0004642200000000 ] - [ 0.0048175800000000, 0.0014673900000000, 0.0022160400000000 ] - [ -0.0002054600000000, -0.0002456900000000, -0.0006277200000000 ] - [ -0.0005661000000000, 0.0002593800000000, -0.0006153100000000 ] - [ 0.0000430400000000, 0.0004708300000000, -0.0004375700000000 ] - [ -0.0001859000000000, 0.0002233800000000, -0.0004271300000000 ] - [ -0.0000461100000000, 0.0003799900000000, -0.0004663500000000 ] - [ -0.0003628600000000, -0.0007532100000000, -0.0014218600000000 ] - [ -0.0001981900000000, 0.0002183900000000, -0.0006438200000000 ] - [ -0.0005244400000000, -0.0001651600000000, -0.0001086500000000 ] - [ -0.0003366500000000, 0.0000027700000000, -0.0001178400000000 ] - [ -0.0003833700000000, 0.0000319600000000, 0.0000210300000000 ] - [ -0.0004123700000000, -0.0000003300000000, 0.0000361900000000 ] - [ -0.0002884400000000, 0.0003879900000000, 0.0000788200000000 ] - [ -0.0004166500000000, 0.0000292400000000, -0.0000750700000000 ] - [ 0.0003369200000000, 0.0002365200000000, -0.0003032300000000 ] - [ 0.0004474200000000, 0.0000120300000000, 0.0000641100000000 ] - [ 0.0003830200000000, -0.0000740700000000, 0.0001139200000000 ] - [ 0.0004445400000000, 0.0000006800000000, 0.0000826800000000 ] - [ 0.0003129000000000, -0.0000179900000000, 0.0002016800000000 ] - [ 0.0004573900000000, 0.0000045500000000, 0.0000995000000000 ] - [ -0.0016174700000000, 0.0018150600000000, -0.0023788600000000 ] - [ 0.0002730700000000, 0.0002151900000000, 0.0006242000000000 ] - [ -0.0000845400000000, 0.0005352800000000, 0.0008179100000000 ] - [ 0.0003612300000000, 0.0001285400000000, 0.0007158900000000 ] - [ 0.0004828100000000, -0.0002677500000000, 0.0010356600000000 ] - [ 0.0003635300000000, 0.0001277300000000, 0.0007138200000000 ] - [ 0.0003103700000000, -0.0000974500000000, 0.0006807300000000 ] - [ 0.0003022400000000, -0.0001288100000000, 0.0006796900000000 ] - [ 0.0002461000000000, -0.0001960300000000, 0.0006443600000000 ] - [ 0.0004931200000000, -0.0001000400000000, 0.0007543000000000 ] - [ 0.0003542000000000, -0.0001128300000000, 0.0007016600000000 ] - [ 0.0002371800000000, -0.0002075200000000, 0.0006403000000000 ] - [ -0.0003310200000000, 0.0000231100000000, -0.0006034800000000 ] - [ -0.0001590300000000, -0.0002556500000000, -0.0005953700000000 ] - [ -0.0002615600000000, -0.0002330600000000, -0.0005269700000000 ] - [ -0.0000757600000000, -0.0003189300000000, -0.0005125000000000 ] - [ -0.0006026800000000, 0.0001801800000000, -0.0010400000000000 ] - [ -0.0001618400000000, -0.0002497400000000, -0.0005877900000000 ] - [ -0.0001523300000000, -0.0003904300000000, -0.0006174100000000 ] - [ -0.0001487300000000, 0.0002622900000000, -0.0006052000000000 ] - [ -0.0002698200000000, 0.0002477500000000, -0.0004772100000000 ] - [ -0.0000535400000000, 0.0003449600000000, -0.0005000700000000 ] - [ -0.0007773400000000, 0.0006882300000000, -0.0006787500000000 ] - [ -0.0000479300000000, 0.0004212100000000, -0.0004303300000000 ] - [ 0.0044414300000000, 0.0072175400000000, 0.0069534400000000 ] - [ -0.0003794600000000, 0.0000015900000000, -0.0000396300000000 ] - [ -0.0006260200000000, -0.0000752900000000, 0.0002620800000000 ] - [ -0.0003577700000000, -0.0000017600000000, -0.0000134500000000 ] - [ -0.0022842100000000, -0.0021315700000000, -0.0007763200000000 ] - [ -0.0003769100000000, -0.0000140900000000, -0.0000766400000000 ] - [ 0.0001788400000000, -0.0001622200000000, -0.0004056300000000 ] - [ 0.0004283900000000, -0.0000447900000000, -0.0000511200000000 ] - [ 0.0002950900000000, 0.0000238600000000, 0.0001822000000000 ] - [ 0.0005573100000000, 0.0000038100000000, 0.0001779900000000 ] - [ 0.0007252200000000, 0.0000508000000000, 0.0004137000000000 ] - [ 0.0004001100000000, 0.0000036000000000, 0.0001508000000000 ] - [ 0.0005650700000000, 0.0004584100000000, 0.0004623500000000 ] - [ -0.0000593500000000, 0.0005502300000000, 0.0002257900000000 ] - [ 0.0002163900000000, 0.0001960800000000, 0.0006515400000000 ] - [ 0.0006236500000000, -0.0000385500000000, 0.0008636900000000 ] - [ 0.0002852100000000, 0.0001772100000000, 0.0007349100000000 ] - [ 0.0002067400000000, 0.0002361100000000, 0.0006463900000000 ] - [ -0.0030367600000000, -0.0033019900000000, -0.0016214800000000 ] - [ 0.0000777700000000, 0.0001723700000000, -0.0000920200000000 ] - [ -0.0003219100000000, 0.0001477900000000, 0.0005806700000000 ] - [ 0.0001667100000000, 0.0002313600000000, 0.0000736300000000 ] - [ 0.0015102400000000, 0.0032483800000000, 0.0028284500000000 ] - [ 0.0000599600000000, 0.0001916800000000, 0.0001308500000000 ] - [ -0.0003588600000000, 0.0001948700000000, -0.0002829400000000 ] - [ 0.0000986400000000, -0.0001559700000000, -0.0000768300000000 ] - [ -0.0002082400000000, -0.0002065100000000, 0.0002378200000000 ] - [ 0.0001617800000000, -0.0002286700000000, 0.0000702300000000 ] - [ 0.0000344500000000, -0.0001137000000000, -0.0001599300000000 ] - [ 0.0000596000000000, -0.0001842000000000, 0.0001126300000000 ] - [ -0.0000497900000000, 0.0003047100000000, -0.0000829700000000 ] - [ 0.0012290500000000, 0.0011486100000000, 0.0000264800000000 ] - [ 0.0000934500000000, 0.0002201500000000, 0.0001249400000000 ] - [ 0.0000389100000000, 0.0003847400000000, 0.0003961600000000 ] - [ 0.0001909100000000, 0.0000779900000000, 0.0000320600000000 ] - [ -0.0003103800000000, -0.0000310600000000, -0.0001212100000000 ] - [ 0.0000031400000000, -0.0003696200000000, -0.0001860500000000 ] - [ 0.0011233700000000, -0.0013153000000000, -0.0011226300000000 ] - [ 0.0001046700000000, -0.0002334400000000, 0.0001327600000000 ] - [ 0.0001324900000000, -0.0003362500000000, 0.0005901200000000 ] - [ 0.0004290800000000, -0.0002391300000000, 0.0003232200000000 ] - [ -0.0006146100000000, -0.0001403200000000, 0.0001310000000000 ] - [ -0.0000657900000000, -0.0004802500000000, 0.0009949000000000 ] - [ 0.0001289300000000, -0.0002631300000000, 0.0005592800000000 ] - [ 0.0001110600000000, -0.0000135600000000, 0.0001978800000000 ] - [ -0.0003859500000000, 0.0000803400000000, 0.0000594100000000 ] - [ -0.0000933900000000, -0.0002392500000000, 0.0000905000000000 ] - [ 0.0000474600000000, -0.0000367300000000, 0.0002888400000000 ] - [ 0.0002671300000000, 0.0003382900000000, 0.0001290100000000 ] - [ -0.0001779800000000, -0.0000087100000000, -0.0003854200000000 ] - [ 0.0001092100000000, 0.0000547300000000, -0.0006475700000000 ] - [ -0.0003166400000000, -0.0000152700000000, -0.0005153000000000 ] - [ 0.0003980700000000, -0.0008469000000000, -0.0003001600000000 ] - [ -0.0002714200000000, -0.0001052300000000, -0.0005160200000000 ] - [ 0.0014838700000000, -0.0003885300000000, 0.0020746500000000 ] - [ -0.0000733700000000, 0.0003502900000000, 0.0000122200000000 ] - [ 0.0005600800000000, 0.0000071400000000, -0.0001678500000000 ] - [ -0.0003176400000000, 0.0002275000000000, -0.0001411200000000 ] - [ -0.0001521000000000, 0.0006550000000000, -0.0004308900000000 ] - [ -0.0002434600000000, 0.0003090100000000, -0.0002111600000000 ] - [ 0.0169120500000000, 0.0181417200000000, 0.0367675700000000 ] - [ -0.0000645100000000, -0.0003205100000000, 0.0000184200000000 ] - [ 0.0018170500000000, 0.0000237000000000, -0.0013036900000000 ] - [ -0.0003302200000000, -0.0001993100000000, -0.0001504300000000 ] - [ -0.0000423000000000, -0.0004255700000000, -0.0016361800000000 ] - [ -0.0002380900000000, -0.0003012700000000, -0.0002140800000000 ] - [ -0.0141655400000000, -0.0098488500000000, 0.0106778500000000 ] - [ 0.0000229700000000, 0.0000278300000000, 0.0003868600000000 ] - [ 0.0003610500000000, -0.0002645800000000, -0.0006204200000000 ] - [ -0.0001675000000000, 0.0000020000000000, 0.0001831700000000 ] - [ 0.0012578100000000, 0.0011896800000000, 0.0000687800000000 ] - [ -0.0002405100000000, 0.0000317800000000, 0.0002319800000000 ] - [ 0.0006408100000000, -0.0000956100000000, 0.0000638000000000 ] - [ -0.0010858100000000, 0.0001318000000000, -0.0005423000000000 ] - [ -0.0002352500000000, 0.0001729800000000, -0.0007860300000000 ] - [ -0.0003585000000000, -0.0000130600000000, -0.0007444800000000 ] - [ -0.0011045300000000, 0.0010384600000000, -0.0009527400000000 ] - [ 0.0000939100000000, 0.0000416500000000, -0.0003168300000000 ] - [ -0.0004860700000000, 0.0001518900000000, -0.0000101300000000 ] - [ 0.0008090700000000, 0.0000022100000000, 0.0006837600000000 ] - [ -0.0000479500000000, 0.0003479600000000, -0.0000147200000000 ] - [ -0.0006232000000000, 0.0010617500000000, -0.0003656400000000 ] - [ -0.0002095100000000, 0.0002755300000000, -0.0002370900000000 ] - [ 0.0001583500000000, 0.0003253300000000, -0.0003062200000000 ] - [ -0.0001274300000000, -0.0004261700000000, 0.0000051700000000 ] - [ -0.0000322300000000, -0.0008303100000000, 0.0005109100000000 ] - [ -0.0000586100000000, -0.0003519900000000, -0.0000497400000000 ] - [ -0.0002532100000000, -0.0008464800000000, -0.0003686000000000 ] - [ -0.0002427000000000, -0.0003094200000000, -0.0001970200000000 ] - [ 0.0000970700000000, -0.0003332400000000, -0.0002074900000000 ]- atom: 1 displacement: [ 0.0035913823858773, 0.0000000000000000, -0.0093328437551697 ] forces: - [ 0.0094659200000000, 0.0149766500000000, 0.0533138100000000 ] - [ 0.0001614500000000, -0.0002391400000000, 0.0006121600000000 ] - [ 0.0004892400000000, -0.0004890800000000, -0.0005788400000000 ] - [ 0.0000761000000000, -0.0003348700000000, 0.0005143700000000 ] - [ 0.0007125000000000, -0.0001648900000000, -0.0005082300000000 ] - [ 0.0000708500000000, -0.0003353700000000, 0.0005095900000000 ] - [ 0.0007616900000000, -0.0006065700000000, -0.0003765900000000 ] - [ -0.0004842000000000, 0.0000211700000000, -0.0007869300000000 ] - [ -0.0006158800000000, 0.0001124600000000, -0.0010607300000000 ] - [ -0.0003839200000000, -0.0000915200000000, -0.0007616100000000 ] - [ -0.0053034400000000, -0.0019284100000000, -0.0033484300000000 ] - [ -0.0002243500000000, -0.0002283100000000, -0.0005940000000000 ] - [ 0.0001337300000000, 0.0002120300000000, -0.0006117100000000 ] - [ -0.0004806700000000, -0.0000031200000000, -0.0007890000000000 ] - [ -0.0002471600000000, 0.0002480200000000, -0.0007986800000000 ] - [ -0.0003864500000000, 0.0000894900000000, -0.0007606700000000 ] - [ -0.0000651500000000, 0.0012175200000000, 0.0002058200000000 ] - [ -0.0002332200000000, 0.0002539400000000, -0.0005789600000000 ] - [ -0.0002926300000000, 0.0001626800000000, -0.0000300500000000 ] - [ -0.0004860000000000, -0.0000028400000000, -0.0000077300000000 ] - [ -0.0004452500000000, -0.0000324100000000, -0.0001469000000000 ] - [ -0.0004134600000000, 0.0000000300000000, -0.0001635700000000 ] - [ -0.0005277800000000, -0.0003772700000000, -0.0002038800000000 ] - [ -0.0003968700000000, -0.0000297200000000, -0.0000655200000000 ] - [ 0.0004858600000000, -0.0002312600000000, 0.0004215300000000 ] - [ 0.0003708400000000, -0.0000122600000000, 0.0000695900000000 ] - [ 0.0004405500000000, 0.0000728400000000, 0.0000209100000000 ] - [ 0.0003817500000000, -0.0000007700000000, 0.0000441700000000 ] - [ 0.0005022700000000, 0.0000167900000000, -0.0000606900000000 ] - [ 0.0003658600000000, -0.0000050900000000, 0.0000252300000000 ] - [ 0.0020441900000000, -0.0013854400000000, 0.0036049700000000 ] - [ 0.0001610100000000, 0.0002557500000000, 0.0005996400000000 ] - [ 0.0005127400000000, -0.0000571700000000, 0.0004037000000000 ] - [ 0.0000760700000000, 0.0003358900000000, 0.0005156000000000 ] - [ -0.0000593500000000, 0.0007470500000000, 0.0001832500000000 ] - [ 0.0000714600000000, 0.0003425800000000, 0.0005100900000000 ] - [ 0.0001189900000000, -0.0003785600000000, 0.0005381800000000 ] - [ 0.0001343100000000, -0.0003393200000000, 0.0005466500000000 ] - [ 0.0001873800000000, -0.0002733300000000, 0.0005822700000000 ] - [ -0.0000635900000000, -0.0003720800000000, 0.0004706800000000 ] - [ 0.0000840700000000, -0.0003529800000000, 0.0005281000000000 ] - [ 0.0001972300000000, -0.0002619000000000, 0.0005850500000000 ] - [ -0.0001048300000000, -0.0004926100000000, -0.0006235100000000 ] - [ -0.0002758500000000, -0.0002130700000000, -0.0006312600000000 ] - [ -0.0001685400000000, -0.0002370000000000, -0.0006996000000000 ] - [ -0.0003523900000000, -0.0001549700000000, -0.0007114300000000 ] - [ 0.0001727400000000, -0.0006546600000000, -0.0001789100000000 ] - [ -0.0002747200000000, -0.0002189200000000, -0.0006377500000000 ] - [ -0.0002813200000000, 0.0008581700000000, -0.0006134300000000 ] - [ -0.0002836000000000, 0.0002080400000000, -0.0006199900000000 ] - [ -0.0001626300000000, 0.0002192600000000, -0.0007506900000000 ] - [ -0.0003764800000000, 0.0001284600000000, -0.0007244500000000 ] - [ 0.0003481300000000, -0.0002157000000000, -0.0005376700000000 ] - [ -0.0003845700000000, 0.0000494600000000, -0.0007933900000000 ] - [ -0.0052206700000000, -0.0071321400000000, -0.0069971600000000 ] - [ -0.0004467300000000, -0.0000012000000000, -0.0000793700000000 ] - [ -0.0001951100000000, 0.0000747300000000, -0.0004001600000000 ] - [ -0.0004732300000000, 0.0000016700000000, -0.0001058700000000 ] - [ 0.0014839800000000, 0.0021568000000000, 0.0006571000000000 ] - [ -0.0004353000000000, 0.0000138400000000, -0.0000650000000000 ] - [ 0.0006427600000000, 0.0001647100000000, 0.0005287400000000 ] - [ 0.0003928300000000, 0.0000446800000000, 0.0001809700000000 ] - [ 0.0005248500000000, -0.0000232700000000, -0.0000468100000000 ] - [ 0.0002617400000000, -0.0000034300000000, -0.0000398400000000 ] - [ 0.0000887700000000, -0.0000504000000000, -0.0002830600000000 ] - [ 0.0004262900000000, -0.0000038400000000, -0.0000310600000000 ] - [ -0.0001351600000000, 0.0000193300000000, 0.0007520800000000 ] - [ 0.0004973400000000, -0.0000829300000000, 0.0009999500000000 ] - [ 0.0002120200000000, 0.0002737700000000, 0.0005750500000000 ] - [ -0.0001941200000000, 0.0005104300000000, 0.0003627100000000 ] - [ 0.0001533600000000, 0.0002902300000000, 0.0004985900000000 ] - [ 0.0002285700000000, 0.0002323800000000, 0.0005794700000000 ] - [ 0.0030674900000000, 0.0036953600000000, 0.0014791700000000 ] - [ -0.0000547800000000, 0.0002521800000000, -0.0000229300000000 ] - [ 0.0003209600000000, 0.0003265100000000, -0.0005769800000000 ] - [ -0.0001648000000000, 0.0002501000000000, -0.0000738600000000 ] - [ -0.0015616200000000, -0.0028741100000000, -0.0027073300000000 ] - [ -0.0000846600000000, 0.0002290500000000, -0.0000025200000000 ] - [ 0.0003791200000000, -0.0006164400000000, 0.0001521600000000 ] - [ -0.0000724500000000, -0.0002623400000000, -0.0000504500000000 ] - [ 0.0002097600000000, -0.0002777400000000, -0.0002454400000000 ] - [ -0.0001592800000000, -0.0002474600000000, -0.0000715900000000 ] - [ -0.0000612600000000, -0.0003161700000000, 0.0002851100000000 ] - [ -0.0000813300000000, -0.0002352100000000, 0.0000041200000000 ] - [ 0.0000698800000000, 0.0001173300000000, -0.0000330900000000 ] - [ -0.0012075900000000, -0.0007369700000000, -0.0001320200000000 ] - [ -0.0000957500000000, 0.0002608800000000, -0.0001157000000000 ] - [ -0.0000368000000000, 0.0001054000000000, -0.0003965500000000 ] - [ -0.0002116000000000, 0.0003425600000000, 0.0000891300000000 ] - [ 0.0002918400000000, 0.0004676100000000, 0.0002470100000000 ] - [ 0.0000172500000000, -0.0000597000000000, 0.0000619800000000 ] - [ -0.0011241800000000, 0.0008983000000000, 0.0009907000000000 ] - [ -0.0001032400000000, -0.0002506000000000, -0.0001338300000000 ] - [ -0.0001246300000000, -0.0001478800000000, -0.0005969800000000 ] - [ -0.0004407500000000, -0.0001764600000000, -0.0002069700000000 ] - [ 0.0005995900000000, -0.0002972900000000, -0.0000109200000000 ] - [ 0.0002056800000000, 0.0004842300000000, -0.0001918100000000 ] - [ -0.0000015500000000, 0.0002648600000000, 0.0002153800000000 ] - [ 0.0000131200000000, 0.0000201100000000, 0.0005238800000000 ] - [ 0.0005265200000000, -0.0000878200000000, 0.0006629600000000 ] - [ 0.0002420900000000, 0.0002221000000000, 0.0006171900000000 ] - [ 0.0000910700000000, 0.0000257700000000, 0.0004544800000000 ] - [ -0.0004338800000000, -0.0003391600000000, -0.0008443200000000 ] - [ 0.0000396700000000, 0.0000117700000000, -0.0003515900000000 ] - [ -0.0002302100000000, -0.0000476700000000, -0.0000808200000000 ] - [ 0.0001764600000000, 0.0000078600000000, -0.0002100600000000 ] - [ -0.0005269200000000, 0.0008545000000000, -0.0004981800000000 ] - [ 0.0001360400000000, 0.0000938700000000, -0.0002594200000000 ] - [ -0.0014858200000000, 0.0010800400000000, -0.0020771400000000 ] - [ 0.0000744300000000, 0.0003235600000000, -0.0000213200000000 ] - [ -0.0005593800000000, 0.0006411400000000, 0.0001968200000000 ] - [ 0.0003105600000000, 0.0004536300000000, 0.0001864800000000 ] - [ 0.0001617700000000, -0.0000035100000000, 0.0004062700000000 ] - [ 0.0002469200000000, 0.0003628000000000, 0.0001752500000000 ] - [ -0.0157398600000000, -0.0175615500000000, -0.0352571900000000 ] - [ 0.0000624900000000, -0.0003407200000000, -0.0000125200000000 ] - [ -0.0018033100000000, -0.0006921500000000, 0.0013152300000000 ] - [ 0.0003255900000000, -0.0004565100000000, 0.0001833000000000 ] - [ 0.0000468800000000, -0.0002288400000000, 0.0016296200000000 ] - [ 0.0002422500000000, -0.0003566300000000, 0.0001729400000000 ] - [ 0.0142824100000000, 0.0098649100000000, -0.0097832400000000 ] - [ 0.0001134300000000, -0.0000152800000000, 0.0003866500000000 ] - [ -0.0002439400000000, 0.0002618500000000, 0.0013490900000000 ] - [ 0.0003015200000000, -0.0000030700000000, 0.0005279900000000 ] - [ -0.0011237500000000, -0.0012116200000000, 0.0006695000000000 ] - [ 0.0003865100000000, -0.0000412300000000, 0.0005158100000000 ] - [ -0.0007819600000000, 0.0001039200000000, -0.0007901700000000 ] - [ 0.0009397400000000, -0.0001330100000000, -0.0001938300000000 ] - [ 0.0001187600000000, -0.0001762000000000, 0.0000552500000000 ] - [ 0.0002312100000000, 0.0000151400000000, 0.0000152600000000 ] - [ 0.0009507500000000, -0.0010181000000000, 0.0001511400000000 ] - [ -0.0002345400000000, -0.0000491700000000, -0.0004572300000000 ] - [ 0.0004895300000000, 0.0005183700000000, 0.0000014000000000 ] - [ -0.0008105100000000, 0.0006771300000000, -0.0006964300000000 ] - [ 0.0000445100000000, 0.0003067100000000, 0.0000578900000000 ] - [ 0.0006213400000000, -0.0003998900000000, 0.0004007700000000 ] - [ 0.0002069600000000, 0.0003916200000000, 0.0002045700000000 ] - [ -0.0001599300000000, 0.0003446700000000, 0.0002793300000000 ] - [ 0.0001288500000000, -0.0002542800000000, 0.0000088700000000 ] - [ 0.0000261500000000, 0.0001532400000000, -0.0005137900000000 ] - [ 0.0000585100000000, -0.0003167800000000, 0.0000771400000000 ] - [ 0.0002545700000000, 0.0001867900000000, 0.0004060400000000 ] - [ 0.0002406400000000, -0.0003481400000000, 0.0001537200000000 ] - [ -0.0000973100000000, -0.0003292000000000, 0.0001697700000000 ]- atom: 19 displacement: [ 0.0099998253914003, 0.0000000000000000, 0.0000590943441047 ] forces: - [ 0.0001700000000000, -0.0002367800000000, 0.0004698500000000 ] - [ 0.0003508600000000, -0.0001732400000000, 0.0007435400000000 ] - [ 0.0009217400000000, -0.0001269400000000, 0.0010129700000000 ] - [ 0.0003816800000000, -0.0001936100000000, 0.0006675900000000 ] - [ 0.0000822800000000, -0.0002804000000000, 0.0005945500000000 ] - [ 0.0002879500000000, -0.0002026500000000, 0.0006417600000000 ] - [ -0.0010410800000000, 0.0002909800000000, -0.0010122000000000 ] - [ -0.0000391600000000, -0.0003482700000000, -0.0005036700000000 ] - [ -0.0004948600000000, -0.0001328400000000, -0.0007521900000000 ] - [ -0.0000602900000000, -0.0003308100000000, -0.0005195100000000 ] - [ -0.0003457000000000, -0.0001146500000000, -0.0007639600000000 ] - [ -0.0000335300000000, -0.0003499000000000, -0.0004915500000000 ] - [ -0.0010410800000000, -0.0002909800000000, -0.0010122000000000 ] - [ -0.0000391600000000, 0.0003482700000000, -0.0005036700000000 ] - [ -0.0004948600000000, 0.0001328400000000, -0.0007521900000000 ] - [ -0.0000602900000000, 0.0003308100000000, -0.0005195100000000 ] - [ -0.0003457000000000, 0.0001146500000000, -0.0007639600000000 ] - [ -0.0000335300000000, 0.0003499000000000, -0.0004915500000000 ] - [ -0.1172053200000000, 0.0000000000000000, 0.1810994600000000 ] - [ -0.0003255300000000, 0.0000000000000000, -0.0000721100000000 ] - [ 0.0014016900000000, 0.0000000000000000, 0.0000561200000000 ] - [ -0.0003486300000000, 0.0000000000000000, -0.0000340900000000 ] - [ 0.0014222200000000, 0.0000000000000000, -0.0008087500000000 ] - [ -0.0003470100000000, 0.0000000000000000, -0.0000028800000000 ] - [ -0.0000100400000000, 0.0000000000000000, -0.0001397600000000 ] - [ 0.0006542000000000, 0.0000000000000000, 0.0004641300000000 ] - [ 0.0012532000000000, 0.0000000000000000, 0.0003337700000000 ] - [ 0.0005934800000000, 0.0000000000000000, -0.0000182400000000 ] - [ 0.0002963800000000, 0.0000000000000000, 0.0002277100000000 ] - [ 0.0004085200000000, 0.0000000000000000, 0.0000003800000000 ] - [ 0.0001700000000000, 0.0002367800000000, 0.0004698500000000 ] - [ 0.0003508600000000, 0.0001732400000000, 0.0007435400000000 ] - [ 0.0009217400000000, 0.0001269400000000, 0.0010129700000000 ] - [ 0.0003816800000000, 0.0001936100000000, 0.0006675900000000 ] - [ 0.0000822800000000, 0.0002804000000000, 0.0005945500000000 ] - [ 0.0002879500000000, 0.0002026500000000, 0.0006417600000000 ] - [ -0.0039095000000000, -0.0009000000000000, 0.0042736800000000 ] - [ 0.0003748600000000, -0.0001284200000000, 0.0007082100000000 ] - [ 0.0011655800000000, 0.0010710600000000, -0.0010404200000000 ] - [ 0.0004134000000000, -0.0001032400000000, 0.0007225500000000 ] - [ 0.0001737000000000, -0.0002904000000000, 0.0003684500000000 ] - [ 0.0004360200000000, -0.0000827400000000, 0.0007588700000000 ] - [ 0.0000716100000000, -0.0003677800000000, -0.0004813400000000 ] - [ 0.0007401500000000, -0.0004117300000000, -0.0004930500000000 ] - [ 0.0001749700000000, -0.0006326800000000, -0.0003045300000000 ] - [ -0.0001747000000000, -0.0002209800000000, -0.0007201500000000 ] - [ -0.0001682100000000, -0.0002602900000000, -0.0006077600000000 ] - [ -0.0003404900000000, -0.0001272700000000, -0.0003179300000000 ] - [ 0.0000716100000000, 0.0003677800000000, -0.0004813400000000 ] - [ 0.0007401500000000, 0.0004117300000000, -0.0004930500000000 ] - [ 0.0001749700000000, 0.0006326800000000, -0.0003045300000000 ] - [ -0.0001747000000000, 0.0002209800000000, -0.0007201500000000 ] - [ -0.0001682100000000, 0.0002602900000000, -0.0006077600000000 ] - [ -0.0003404900000000, 0.0001272700000000, -0.0003179300000000 ] - [ -0.0002882500000000, 0.0000000000000000, -0.0001360000000000 ] - [ -0.0002884800000000, 0.0000000000000000, -0.0000411900000000 ] - [ -0.0004468800000000, 0.0000000000000000, 0.0000997700000000 ] - [ -0.0003866400000000, 0.0000000000000000, -0.0001113800000000 ] - [ -0.0003857100000000, 0.0000000000000000, -0.0001161700000000 ] - [ -0.0004430700000000, 0.0000000000000000, -0.0000266900000000 ] - [ 0.0003592200000000, 0.0000000000000000, -0.0000867200000000 ] - [ 0.0004487200000000, 0.0000000000000000, 0.0001058900000000 ] - [ 0.0001125800000000, 0.0000000000000000, 0.0001160400000000 ] - [ 0.0004816000000000, 0.0000000000000000, 0.0000694600000000 ] - [ 0.0003654200000000, 0.0000000000000000, -0.0000010700000000 ] - [ 0.0004713100000000, 0.0000000000000000, 0.0001202100000000 ] - [ -0.0039095000000000, 0.0009000000000000, 0.0042736800000000 ] - [ 0.0003748600000000, 0.0001284200000000, 0.0007082100000000 ] - [ 0.0011655800000000, -0.0010710600000000, -0.0010404200000000 ] - [ 0.0004134000000000, 0.0001032400000000, 0.0007225500000000 ] - [ 0.0001737000000000, 0.0002904000000000, 0.0003684500000000 ] - [ 0.0004360200000000, 0.0000827400000000, 0.0007588700000000 ] - [ 0.0037461500000000, 0.0024395100000000, -0.0040401000000000 ] - [ 0.0003594600000000, 0.0001000600000000, 0.0000579100000000 ] - [ -0.0010281000000000, 0.0007768600000000, 0.0018766800000000 ] - [ 0.0002201500000000, 0.0002264300000000, -0.0000005100000000 ] - [ -0.0002033500000000, 0.0000654200000000, -0.0000640800000000 ] - [ 0.0001157200000000, 0.0002088900000000, 0.0001889700000000 ] - [ 0.0037461500000000, -0.0024395100000000, -0.0040401000000000 ] - [ 0.0003594600000000, -0.0001000600000000, 0.0000579100000000 ] - [ -0.0010281000000000, -0.0007768600000000, 0.0018766800000000 ] - [ 0.0002201500000000, -0.0002264300000000, -0.0000005100000000 ] - [ -0.0002033500000000, -0.0000654200000000, -0.0000640800000000 ] - [ 0.0001157200000000, -0.0002088900000000, 0.0001889700000000 ] - [ -0.0003274000000000, 0.0009648000000000, 0.0003702600000000 ] - [ 0.0001847800000000, 0.0001724700000000, -0.0000827100000000 ] - [ 0.0000521500000000, 0.0006088900000000, -0.0004171800000000 ] - [ 0.0002684000000000, 0.0002408200000000, 0.0000702600000000 ] - [ -0.0001106200000000, 0.0002747300000000, -0.0000680500000000 ] - [ 0.0000471300000000, 0.0001650200000000, 0.0001894700000000 ] - [ -0.0003274000000000, -0.0009648000000000, 0.0003702600000000 ] - [ 0.0001847800000000, -0.0001724700000000, -0.0000827100000000 ] - [ 0.0000521500000000, -0.0006088900000000, -0.0004171800000000 ] - [ 0.0002684000000000, -0.0002408200000000, 0.0000702600000000 ] - [ -0.0001106200000000, -0.0002747300000000, -0.0000680500000000 ] - [ 0.0000471300000000, -0.0001650200000000, 0.0001894700000000 ] - [ 0.1109265700000000, 0.0000000000000000, -0.1832065600000000 ] - [ -0.0003039300000000, 0.0000000000000000, 0.0002386900000000 ] - [ 0.0002232100000000, 0.0000000000000000, 0.0014901600000000 ] - [ -0.0002789700000000, 0.0000000000000000, 0.0002369500000000 ] - [ -0.0007049100000000, 0.0000000000000000, 0.0012699900000000 ] - [ -0.0002566800000000, 0.0000000000000000, 0.0001343400000000 ] - [ -0.0004818400000000, 0.0000000000000000, 0.0008681100000000 ] - [ -0.0010957900000000, 0.0000000000000000, -0.0008146700000000 ] - [ -0.0007113700000000, 0.0000000000000000, -0.0017148000000000 ] - [ -0.0003032200000000, 0.0000000000000000, -0.0002493500000000 ] - [ 0.0000286500000000, 0.0000000000000000, -0.0003657000000000 ] - [ 0.0000144100000000, 0.0000000000000000, -0.0005269800000000 ] - [ 0.0001195800000000, 0.0003142700000000, 0.0004838000000000 ] - [ -0.0002699000000000, 0.0002693500000000, -0.0002300600000000 ] - [ -0.0004003800000000, 0.0020597900000000, -0.0005635700000000 ] - [ -0.0003331600000000, 0.0002636200000000, -0.0000737100000000 ] - [ 0.0004796200000000, 0.0002848000000000, 0.0000293300000000 ] - [ -0.0002040800000000, 0.0002813100000000, -0.0001027800000000 ] - [ 0.0001195800000000, -0.0003142700000000, 0.0004838000000000 ] - [ -0.0002699000000000, -0.0002693500000000, -0.0002300600000000 ] - [ -0.0004003800000000, -0.0020597900000000, -0.0005635700000000 ] - [ -0.0003331600000000, -0.0002636200000000, -0.0000737100000000 ] - [ 0.0004796200000000, -0.0002848000000000, 0.0000293300000000 ] - [ -0.0002040800000000, -0.0002813100000000, -0.0001027800000000 ] - [ -0.0000283100000000, 0.0000000000000000, 0.0005503200000000 ] - [ -0.0000143000000000, 0.0000000000000000, 0.0000786300000000 ] - [ -0.0007142600000000, 0.0000000000000000, -0.0001645200000000 ] - [ -0.0001621700000000, 0.0000000000000000, 0.0004304500000000 ] - [ 0.0001883500000000, 0.0000000000000000, 0.0003547700000000 ] - [ 0.0000293200000000, 0.0000000000000000, 0.0003959900000000 ] - [ 0.0010495600000000, 0.0000000000000000, 0.0000760100000000 ] - [ -0.0003636200000000, 0.0000000000000000, -0.0004981600000000 ] - [ 0.0004319200000000, 0.0000000000000000, -0.0000717000000000 ] - [ -0.0003833800000000, 0.0000000000000000, -0.0005054200000000 ] - [ 0.0001532500000000, 0.0000000000000000, -0.0001430200000000 ] - [ -0.0003294700000000, 0.0000000000000000, -0.0006120400000000 ] - [ 0.0028825200000000, -0.0012514800000000, -0.0003586000000000 ] - [ -0.0001758800000000, 0.0003810900000000, -0.0000689900000000 ] - [ -0.0010486000000000, 0.0012963500000000, 0.0007972700000000 ] - [ -0.0003899000000000, 0.0003148400000000, -0.0001002300000000 ] - [ -0.0000246500000000, 0.0003600500000000, 0.0003445300000000 ] - [ -0.0004499200000000, 0.0001620500000000, -0.0003663800000000 ] - [ 0.0028825200000000, 0.0012514800000000, -0.0003586000000000 ] - [ -0.0001758800000000, -0.0003810900000000, -0.0000689900000000 ] - [ -0.0010486000000000, -0.0012963500000000, 0.0007972700000000 ] - [ -0.0003899000000000, -0.0003148400000000, -0.0001002300000000 ] - [ -0.0000246500000000, -0.0003600500000000, 0.0003445300000000 ] - [ -0.0004499200000000, -0.0001620500000000, -0.0003663800000000 ]- atom: 19 displacement: [ -0.0099998253914003, 0.0000000000000000, -0.0000590943441047 ] forces: - [ 0.0002605200000000, -0.0002348000000000, 0.0007498200000000 ] - [ 0.0000836300000000, -0.0002967700000000, 0.0004798300000000 ] - [ -0.0004850500000000, -0.0003415500000000, 0.0002146200000000 ] - [ 0.0000505400000000, -0.0002760400000000, 0.0005593600000000 ] - [ 0.0003509600000000, -0.0001884000000000, 0.0006305400000000 ] - [ 0.0001497800000000, -0.0002637600000000, 0.0005859600000000 ] - [ 0.0005956600000000, -0.0007610600000000, -0.0002198800000000 ] - [ -0.0003938100000000, -0.0001218600000000, -0.0007205100000000 ] - [ 0.0000607800000000, -0.0003365000000000, -0.0004752100000000 ] - [ -0.0003725200000000, -0.0001378400000000, -0.0007075400000000 ] - [ -0.0000906500000000, -0.0003570800000000, -0.0004599200000000 ] - [ -0.0003997000000000, -0.0001207700000000, -0.0007318000000000 ] - [ 0.0005956600000000, 0.0007610600000000, -0.0002198800000000 ] - [ -0.0003938100000000, 0.0001218600000000, -0.0007205100000000 ] - [ 0.0000607800000000, 0.0003365000000000, -0.0004752100000000 ] - [ -0.0003725200000000, 0.0001378400000000, -0.0007075400000000 ] - [ -0.0000906500000000, 0.0003570800000000, -0.0004599200000000 ] - [ -0.0003997000000000, 0.0001207700000000, -0.0007318000000000 ] - [ 0.1177153600000000, 0.0000000000000000, -0.1761450200000000 ] - [ -0.0004906200000000, 0.0000000000000000, -0.0000666600000000 ] - [ -0.0022505600000000, 0.0000000000000000, -0.0001841400000000 ] - [ -0.0004703000000000, 0.0000000000000000, -0.0001090200000000 ] - [ -0.0022405500000000, 0.0000000000000000, 0.0007213800000000 ] - [ -0.0004690400000000, 0.0000000000000000, -0.0001390900000000 ] - [ 0.0008152800000000, 0.0000000000000000, 0.0002799900000000 ] - [ 0.0001593500000000, 0.0000000000000000, -0.0003232900000000 ] - [ -0.0004236400000000, 0.0000000000000000, -0.0001834300000000 ] - [ 0.0002252300000000, 0.0000000000000000, 0.0001636800000000 ] - [ 0.0005227900000000, 0.0000000000000000, -0.0000901500000000 ] - [ 0.0004097200000000, 0.0000000000000000, 0.0001398000000000 ] - [ 0.0002605200000000, 0.0002348000000000, 0.0007498200000000 ] - [ 0.0000836300000000, 0.0002967700000000, 0.0004798300000000 ] - [ -0.0004850500000000, 0.0003415500000000, 0.0002146200000000 ] - [ 0.0000505400000000, 0.0002760400000000, 0.0005593600000000 ] - [ 0.0003509600000000, 0.0001884000000000, 0.0006305400000000 ] - [ 0.0001497800000000, 0.0002637600000000, 0.0005859600000000 ] - [ 0.0043299000000000, 0.0003768700000000, -0.0029979500000000 ] - [ 0.0000603700000000, -0.0003414100000000, 0.0005156100000000 ] - [ -0.0007175900000000, -0.0015460000000000, 0.0022808600000000 ] - [ 0.0000228800000000, -0.0003633000000000, 0.0005066200000000 ] - [ 0.0002696600000000, -0.0001698100000000, 0.0008625800000000 ] - [ 0.0000007300000000, -0.0003844100000000, 0.0004682900000000 ] - [ -0.0004986200000000, -0.0001093000000000, -0.0007374600000000 ] - [ -0.0011816400000000, -0.0000576700000000, -0.0007308000000000 ] - [ -0.0006045700000000, 0.0001594800000000, -0.0009198300000000 ] - [ -0.0002560200000000, -0.0002494500000000, -0.0005046000000000 ] - [ -0.0002672800000000, -0.0002088500000000, -0.0006183800000000 ] - [ -0.0000923100000000, -0.0003492600000000, -0.0009072800000000 ] - [ -0.0004986200000000, 0.0001093000000000, -0.0007374600000000 ] - [ -0.0011816400000000, 0.0000576700000000, -0.0007308000000000 ] - [ -0.0006045700000000, -0.0001594800000000, -0.0009198300000000 ] - [ -0.0002560200000000, 0.0002494500000000, -0.0005046000000000 ] - [ -0.0002672800000000, 0.0002088500000000, -0.0006183800000000 ] - [ -0.0000923100000000, 0.0003492600000000, -0.0009072800000000 ] - [ -0.0005281700000000, 0.0000000000000000, -0.0000032900000000 ] - [ -0.0005281700000000, 0.0000000000000000, -0.0000985100000000 ] - [ -0.0003739600000000, 0.0000000000000000, -0.0002417100000000 ] - [ -0.0004310000000000, 0.0000000000000000, -0.0000343800000000 ] - [ -0.0004296800000000, 0.0000000000000000, -0.0000274000000000 ] - [ -0.0003723700000000, 0.0000000000000000, -0.0001154400000000 ] - [ 0.0004535900000000, 0.0000000000000000, 0.0002303800000000 ] - [ 0.0003656900000000, 0.0000000000000000, 0.0000381900000000 ] - [ 0.0007084300000000, 0.0000000000000000, 0.0000262300000000 ] - [ 0.0003398800000000, 0.0000000000000000, 0.0000733700000000 ] - [ 0.0004516800000000, 0.0000000000000000, 0.0001394800000000 ] - [ 0.0003459700000000, 0.0000000000000000, 0.0000191500000000 ] - [ 0.0043299000000000, -0.0003768700000000, -0.0029979500000000 ] - [ 0.0000603700000000, 0.0003414100000000, 0.0005156100000000 ] - [ -0.0007175900000000, 0.0015460000000000, 0.0022808600000000 ] - [ 0.0000228800000000, 0.0003633000000000, 0.0005066200000000 ] - [ 0.0002696600000000, 0.0001698100000000, 0.0008625800000000 ] - [ 0.0000007300000000, 0.0003844100000000, 0.0004682900000000 ] - [ -0.0036883000000000, -0.0019350900000000, 0.0038685500000000 ] - [ -0.0003362200000000, 0.0003318900000000, -0.0001804600000000 ] - [ 0.0010086700000000, -0.0003094300000000, -0.0018806900000000 ] - [ -0.0002171800000000, 0.0002483100000000, 0.0000009700000000 ] - [ 0.0001719900000000, 0.0003583000000000, 0.0001823800000000 ] - [ -0.0001369200000000, 0.0002142800000000, -0.0000666700000000 ] - [ -0.0036883000000000, 0.0019350900000000, 0.0038685500000000 ] - [ -0.0003362200000000, -0.0003318900000000, -0.0001804600000000 ] - [ 0.0010086700000000, 0.0003094300000000, -0.0018806900000000 ] - [ -0.0002171800000000, -0.0002483100000000, 0.0000009700000000 ] - [ 0.0001719900000000, -0.0003583000000000, 0.0001823800000000 ] - [ -0.0001369200000000, -0.0002142800000000, -0.0000666700000000 ] - [ 0.0003583800000000, -0.0005394500000000, -0.0004922600000000 ] - [ -0.0001617400000000, 0.0002486100000000, -0.0000391700000000 ] - [ -0.0000529000000000, -0.0001294500000000, 0.0004209300000000 ] - [ -0.0002692000000000, 0.0002392300000000, -0.0000679300000000 ] - [ 0.0000903400000000, 0.0001488500000000, 0.0001909900000000 ] - [ -0.0000687300000000, 0.0002601500000000, -0.0000676700000000 ] - [ 0.0003583800000000, 0.0005394500000000, -0.0004922600000000 ] - [ -0.0001617400000000, -0.0002486100000000, -0.0000391700000000 ] - [ -0.0000529000000000, 0.0001294500000000, 0.0004209300000000 ] - [ -0.0002692000000000, -0.0002392300000000, -0.0000679300000000 ] - [ 0.0000903400000000, -0.0001488500000000, 0.0001909900000000 ] - [ -0.0000687300000000, -0.0002601500000000, -0.0000676700000000 ] - [ -0.1121793900000000, 0.0000000000000000, 0.1788722700000000 ] - [ 0.0004340600000000, 0.0000000000000000, 0.0005554300000000 ] - [ -0.0000961000000000, 0.0000000000000000, -0.0007366600000000 ] - [ 0.0004048700000000, 0.0000000000000000, 0.0005010400000000 ] - [ 0.0008624600000000, 0.0000000000000000, -0.0005637000000000 ] - [ 0.0003901200000000, 0.0000000000000000, 0.0006187900000000 ] - [ 0.0002963600000000, 0.0000000000000000, -0.0016097300000000 ] - [ 0.0009576300000000, 0.0000000000000000, 0.0000617800000000 ] - [ 0.0005873900000000, 0.0000000000000000, 0.0009581400000000 ] - [ 0.0001709100000000, 0.0000000000000000, -0.0004963300000000 ] - [ -0.0001456200000000, 0.0000000000000000, -0.0004280300000000 ] - [ -0.0001488300000000, 0.0000000000000000, -0.0002658800000000 ] - [ -0.0001113200000000, 0.0003519600000000, -0.0004752100000000 ] - [ 0.0002686000000000, 0.0004028000000000, 0.0002316100000000 ] - [ 0.0004113900000000, -0.0013808000000000, 0.0005959600000000 ] - [ 0.0003291300000000, 0.0003940000000000, 0.0001068000000000 ] - [ -0.0004731700000000, 0.0003755500000000, -0.0000605100000000 ] - [ 0.0002053200000000, 0.0003829200000000, 0.0000658500000000 ] - [ -0.0001113200000000, -0.0003519600000000, -0.0004752100000000 ] - [ 0.0002686000000000, -0.0004028000000000, 0.0002316100000000 ] - [ 0.0004113900000000, 0.0013808000000000, 0.0005959600000000 ] - [ 0.0003291300000000, -0.0003940000000000, 0.0001068000000000 ] - [ -0.0004731700000000, -0.0003755500000000, -0.0000605100000000 ] - [ 0.0002053200000000, -0.0003829200000000, 0.0000658500000000 ] - [ 0.0001643600000000, 0.0000000000000000, 0.0002475300000000 ] - [ 0.0001455500000000, 0.0000000000000000, 0.0007157000000000 ] - [ 0.0008376800000000, 0.0000000000000000, 0.0009074700000000 ] - [ 0.0002876900000000, 0.0000000000000000, 0.0003062400000000 ] - [ -0.0000440300000000, 0.0000000000000000, 0.0004001800000000 ] - [ 0.0001089700000000, 0.0000000000000000, 0.0003556100000000 ] - [ -0.0011900700000000, 0.0000000000000000, -0.0008239500000000 ] - [ 0.0002211100000000, 0.0000000000000000, -0.0002573600000000 ] - [ -0.0005546000000000, 0.0000000000000000, -0.0006736400000000 ] - [ 0.0002595600000000, 0.0000000000000000, -0.0002380200000000 ] - [ -0.0002791800000000, 0.0000000000000000, -0.0006523200000000 ] - [ 0.0001969200000000, 0.0000000000000000, -0.0001820700000000 ] - [ -0.0028657300000000, 0.0018892000000000, 0.0003518300000000 ] - [ 0.0001750600000000, 0.0002919700000000, 0.0000710600000000 ] - [ 0.0010397500000000, -0.0006416200000000, -0.0007741600000000 ] - [ 0.0003799000000000, 0.0003447300000000, 0.0001281400000000 ] - [ 0.0000209600000000, 0.0003072600000000, -0.0003842800000000 ] - [ 0.0004499000000000, 0.0004957000000000, 0.0003297200000000 ] - [ -0.0028657300000000, -0.0018892000000000, 0.0003518300000000 ] - [ 0.0001750600000000, -0.0002919700000000, 0.0000710600000000 ] - [ 0.0010397500000000, 0.0006416200000000, -0.0007741600000000 ] - [ 0.0003799000000000, -0.0003447300000000, 0.0001281400000000 ] - [ 0.0000209600000000, -0.0003072600000000, -0.0003842800000000 ] - [ 0.0004499000000000, -0.0004957000000000, 0.0003297200000000 ]- atom: 19 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001883800000000, -0.0002288500000000, 0.0004265200000000 ] - [ 0.0002161900000000, -0.0001874200000000, 0.0006149400000000 ] - [ 0.0013681300000000, 0.0005226700000000, 0.0014682200000000 ] - [ 0.0001961500000000, -0.0001855800000000, 0.0006384600000000 ] - [ 0.0002890800000000, -0.0001484900000000, 0.0006751300000000 ] - [ 0.0002176600000000, -0.0002136600000000, 0.0006118900000000 ] - [ -0.0006511600000000, 0.0012561100000000, -0.0010285300000000 ] - [ -0.0002320700000000, -0.0002129700000000, -0.0006314400000000 ] - [ -0.0003255400000000, -0.0001029400000000, -0.0005762500000000 ] - [ -0.0002220400000000, -0.0002268300000000, -0.0006168900000000 ] - [ -0.0002054800000000, -0.0003345300000000, -0.0005909500000000 ] - [ -0.0002296800000000, -0.0002197600000000, -0.0006224600000000 ] - [ 0.0002183600000000, 0.0017115600000000, -0.0001936400000000 ] - [ -0.0002039600000000, 0.0002560900000000, -0.0005942900000000 ] - [ -0.0001054000000000, 0.0003694700000000, -0.0006485400000000 ] - [ -0.0002109400000000, 0.0002422300000000, -0.0006106700000000 ] - [ -0.0002278000000000, 0.0001357000000000, -0.0006357700000000 ] - [ -0.0002043000000000, 0.0002504000000000, -0.0006023700000000 ] - [ 0.0006351700000000, -0.0183900000000000, -0.0019831500000000 ] - [ -0.0004115000000000, -0.0000055600000000, -0.0000625300000000 ] - [ -0.0004164000000000, 0.0016763000000000, -0.0000503900000000 ] - [ -0.0004144900000000, -0.0000017900000000, -0.0000619800000000 ] - [ -0.0004211000000000, 0.0016757400000000, -0.0000275200000000 ] - [ -0.0004064000000000, -0.0000018100000000, -0.0000718000000000 ] - [ 0.0004145100000000, 0.0000673400000000, 0.0000555700000000 ] - [ 0.0004101400000000, -0.0001164400000000, 0.0000682200000000 ] - [ 0.0004086400000000, -0.0002441000000000, 0.0000670600000000 ] - [ 0.0004152400000000, -0.0001151400000000, 0.0000606100000000 ] - [ 0.0004054700000000, -0.0000219200000000, 0.0000719400000000 ] - [ 0.0004126000000000, -0.0000368600000000, 0.0000602900000000 ] - [ 0.0002512600000000, 0.0002360800000000, 0.0008019000000000 ] - [ 0.0002151600000000, 0.0002850100000000, 0.0006082900000000 ] - [ -0.0009240600000000, 0.0009854500000000, -0.0002344000000000 ] - [ 0.0002398800000000, 0.0002804900000000, 0.0005925100000000 ] - [ 0.0001436800000000, 0.0003199900000000, 0.0005502600000000 ] - [ 0.0002159800000000, 0.0002570200000000, 0.0006108900000000 ] - [ -0.0023547000000000, -0.0004926700000000, 0.0072895900000000 ] - [ 0.0002161900000000, -0.0002366600000000, 0.0006137000000000 ] - [ 0.0013954500000000, -0.0008137300000000, -0.0012296200000000 ] - [ 0.0002009500000000, -0.0002577400000000, 0.0005929300000000 ] - [ 0.0001934600000000, -0.0002736800000000, 0.0005238000000000 ] - [ 0.0002100300000000, -0.0002438100000000, 0.0006079400000000 ] - [ -0.0002465000000000, -0.0002866000000000, -0.0005764300000000 ] - [ 0.0005218000000000, -0.0009936000000000, -0.0001563500000000 ] - [ -0.0002020200000000, -0.0002861000000000, -0.0006126700000000 ] - [ -0.0001352400000000, -0.0003161800000000, -0.0006075300000000 ] - [ -0.0002113300000000, -0.0002380700000000, -0.0006135300000000 ] - [ 0.0002509900000000, -0.0006933700000000, -0.0004863800000000 ] - [ -0.0001903000000000, 0.0001788700000000, -0.0006507700000000 ] - [ -0.0009514800000000, -0.0005291800000000, -0.0010733400000000 ] - [ -0.0002361600000000, 0.0001760300000000, -0.0006182500000000 ] - [ -0.0002953600000000, 0.0001552700000000, -0.0006184600000000 ] - [ -0.0002219600000000, 0.0002322600000000, -0.0006098600000000 ] - [ -0.0006904700000000, -0.0002403500000000, -0.0007403100000000 ] - [ -0.0004127100000000, 0.0001227700000000, -0.0000589400000000 ] - [ -0.0004137800000000, 0.0001227900000000, -0.0000577000000000 ] - [ -0.0004102800000000, 0.0000569200000000, -0.0000678400000000 ] - [ -0.0004170500000000, -0.0000046000000000, -0.0000579000000000 ] - [ -0.0004092500000000, -0.0000047200000000, -0.0000655900000000 ] - [ -0.0004074900000000, 0.0000571800000000, -0.0000701700000000 ] - [ 0.0004114800000000, 0.0001708700000000, 0.0000612500000000 ] - [ 0.0004101400000000, 0.0000022200000000, 0.0000643600000000 ] - [ 0.0004099400000000, 0.0003324600000000, 0.0000693700000000 ] - [ 0.0004095800000000, 0.0000061900000000, 0.0000703500000000 ] - [ 0.0004103400000000, 0.0000080900000000, 0.0000642500000000 ] - [ 0.0004138300000000, 0.0000013200000000, 0.0000581500000000 ] - [ 0.0026788000000000, -0.0000309200000000, -0.0061486800000000 ] - [ 0.0002213400000000, 0.0002299900000000, 0.0006127300000000 ] - [ -0.0009415400000000, -0.0003842100000000, 0.0024666600000000 ] - [ 0.0002302800000000, 0.0002131000000000, 0.0006336000000000 ] - [ 0.0002535600000000, 0.0001831200000000, 0.0007080300000000 ] - [ 0.0002236900000000, 0.0002256800000000, 0.0006168100000000 ] - [ 0.0035388900000000, 0.0006814600000000, -0.0025988600000000 ] - [ -0.0000361900000000, 0.0001811800000000, -0.0000895400000000 ] - [ 0.0005162500000000, 0.0001560600000000, 0.0020085900000000 ] - [ -0.0000143800000000, 0.0002304200000000, 0.0000047200000000 ] - [ -0.0001205100000000, 0.0001648200000000, 0.0001962400000000 ] - [ -0.0000346700000000, 0.0002038400000000, 0.0000476700000000 ] - [ -0.0034808700000000, 0.0002963600000000, 0.0024849700000000 ] - [ 0.0000597600000000, -0.0002356900000000, -0.0000311900000000 ] - [ -0.0005213500000000, -0.0003045500000000, -0.0020105400000000 ] - [ 0.0000160000000000, -0.0002537500000000, -0.0000089200000000 ] - [ 0.0000984600000000, -0.0002314200000000, -0.0000779800000000 ] - [ 0.0000060100000000, -0.0002267400000000, 0.0000747400000000 ] - [ 0.0007246400000000, 0.0014454300000000, 0.0004086400000000 ] - [ 0.0000045400000000, 0.0002123400000000, -0.0000446800000000 ] - [ 0.0001011200000000, 0.0005442600000000, -0.0002808200000000 ] - [ -0.0000489800000000, 0.0002592400000000, -0.0000418300000000 ] - [ -0.0001334600000000, 0.0003124600000000, 0.0001311000000000 ] - [ -0.0000183200000000, 0.0002166800000000, 0.0000583400000000 ] - [ -0.0007186500000000, 0.0010177500000000, -0.0005259100000000 ] - [ 0.0000197500000000, -0.0001966200000000, -0.0000755400000000 ] - [ -0.0000973300000000, 0.0000642300000000, 0.0002824500000000 ] - [ 0.0000523400000000, -0.0002084000000000, 0.0000404900000000 ] - [ 0.0001121500000000, -0.0001047500000000, -0.0000192400000000 ] - [ -0.0000060300000000, -0.0002058000000000, 0.0000630200000000 ] - [ -0.0009294300000000, 0.0132918200000000, 0.0023279000000000 ] - [ 0.0000654300000000, 0.0000124000000000, 0.0003887600000000 ] - [ 0.0000493200000000, 0.0010014900000000, 0.0003768900000000 ] - [ 0.0000725700000000, 0.0000253400000000, 0.0003607700000000 ] - [ 0.0000822500000000, -0.0006187300000000, 0.0003392200000000 ] - [ 0.0000720000000000, 0.0000057800000000, 0.0003751000000000 ] - [ -0.0000825700000000, 0.0002306200000000, -0.0003594100000000 ] - [ -0.0000726200000000, 0.0008229300000000, -0.0003695900000000 ] - [ -0.0000558600000000, 0.0005182900000000, -0.0003605700000000 ] - [ -0.0000740400000000, 0.0001399300000000, -0.0003606100000000 ] - [ -0.0000619400000000, 0.0000159900000000, -0.0003977200000000 ] - [ -0.0000637400000000, 0.0004452800000000, -0.0003846100000000 ] - [ -0.0003108400000000, 0.0006978600000000, -0.0002891500000000 ] - [ -0.0000027000000000, 0.0003062000000000, -0.0000055500000000 ] - [ 0.0017284200000000, -0.0018284900000000, 0.0010031400000000 ] - [ -0.0000401000000000, 0.0003059300000000, 0.0000244200000000 ] - [ -0.0000903800000000, 0.0002265000000000, 0.0002097800000000 ] - [ 0.0000006700000000, 0.0003258800000000, -0.0000159700000000 ] - [ 0.0003004100000000, 0.0000133000000000, 0.0002990800000000 ] - [ 0.0000055200000000, -0.0003641000000000, 0.0000054200000000 ] - [ -0.0017481800000000, -0.0024986500000000, -0.0009956600000000 ] - [ 0.0000336900000000, -0.0003650100000000, 0.0000157000000000 ] - [ 0.0000948200000000, -0.0004312000000000, -0.0002406600000000 ] - [ 0.0000054400000000, -0.0003430200000000, -0.0000225400000000 ] - [ 0.0000679200000000, 0.0000300300000000, 0.0003851300000000 ] - [ 0.0000729800000000, -0.0003467000000000, 0.0003854600000000 ] - [ 0.0000576000000000, -0.0012865900000000, 0.0003629800000000 ] - [ 0.0000694100000000, -0.0001810600000000, 0.0003548500000000 ] - [ 0.0000769400000000, -0.0000864800000000, 0.0003697000000000 ] - [ 0.0000762100000000, -0.0001544000000000, 0.0003768300000000 ] - [ -0.0000752800000000, -0.0018800700000000, -0.0003680100000000 ] - [ -0.0000737800000000, -0.0000299800000000, -0.0003671000000000 ] - [ -0.0000655200000000, -0.0004715800000000, -0.0003683700000000 ] - [ -0.0000649000000000, -0.0000134500000000, -0.0003682100000000 ] - [ -0.0000706500000000, 0.0000109100000000, -0.0003890700000000 ] - [ -0.0000704400000000, -0.0000210400000000, -0.0003849300000000 ] - [ -0.0013615900000000, 0.0013940200000000, 0.0013729100000000 ] - [ 0.0000013200000000, 0.0003457400000000, -0.0000014300000000 ] - [ 0.0014563600000000, 0.0005763900000000, -0.0008412700000000 ] - [ -0.0000382300000000, 0.0003739200000000, 0.0000223300000000 ] - [ 0.0000368900000000, 0.0003718700000000, -0.0001020400000000 ] - [ 0.0000215100000000, 0.0003720300000000, -0.0000033200000000 ] - [ 0.0014109500000000, 0.0007069900000000, -0.0013464100000000 ] - [ -0.0000036500000000, -0.0003374200000000, -0.0000013400000000 ] - [ -0.0014624000000000, -0.0001125500000000, 0.0008659700000000 ] - [ 0.0000369600000000, -0.0002926400000000, 0.0000127700000000 ] - [ -0.0000444900000000, -0.0003026800000000, 0.0000670300000000 ] - [ -0.0000150600000000, -0.0003023100000000, -0.0000268800000000 ]- atom: 19 displacement: [ -0.0035913823858773, 0.0000000000000000, 0.0093328437551697 ] forces: - [ 0.0001181000000000, -0.0003160700000000, 0.0005744400000000 ] - [ 0.0002515100000000, -0.0002628700000000, 0.0005388400000000 ] - [ -0.0000552600000000, -0.0002784400000000, 0.0006049600000000 ] - [ 0.0001014200000000, -0.0002671800000000, 0.0005656800000000 ] - [ 0.0005381300000000, -0.0000780000000000, 0.0008090000000000 ] - [ 0.0003328900000000, -0.0001574800000000, 0.0007573500000000 ] - [ -0.0002721300000000, -0.0003465500000000, -0.0009708700000000 ] - [ -0.0002657900000000, -0.0001984300000000, -0.0006469700000000 ] - [ -0.0002472100000000, -0.0000361400000000, -0.0005646900000000 ] - [ -0.0001609000000000, -0.0002680200000000, -0.0005848700000000 ] - [ -0.0002783700000000, -0.0003113700000000, -0.0004611900000000 ] - [ -0.0001754200000000, -0.0002673000000000, -0.0005765100000000 ] - [ -0.0002721300000000, 0.0003465500000000, -0.0009708700000000 ] - [ -0.0002657900000000, 0.0001984300000000, -0.0006469700000000 ] - [ -0.0002472100000000, 0.0000361400000000, -0.0005646900000000 ] - [ -0.0001609000000000, 0.0002680200000000, -0.0005848700000000 ] - [ -0.0002783700000000, 0.0003113700000000, -0.0004611900000000 ] - [ -0.0001754200000000, 0.0002673000000000, -0.0005765100000000 ] - [ 0.2028477500000000, 0.0000000000000000, -0.3843369100000000 ] - [ -0.0004414600000000, 0.0000000000000000, -0.0000565800000000 ] - [ -0.0018175900000000, 0.0000000000000000, 0.0005387100000000 ] - [ -0.0003677500000000, 0.0000000000000000, -0.0000691200000000 ] - [ -0.0009640300000000, 0.0000000000000000, 0.0008625900000000 ] - [ -0.0003960500000000, 0.0000000000000000, -0.0000783900000000 ] - [ 0.0003562500000000, 0.0000000000000000, 0.0002349300000000 ] - [ 0.0006885300000000, 0.0000000000000000, -0.0001062600000000 ] - [ 0.0003506700000000, 0.0000000000000000, -0.0002236800000000 ] - [ 0.0002567300000000, 0.0000000000000000, 0.0000142500000000 ] - [ 0.0006016400000000, 0.0000000000000000, 0.0001723100000000 ] - [ 0.0003418800000000, 0.0000000000000000, 0.0003299900000000 ] - [ 0.0001181000000000, 0.0003160700000000, 0.0005744400000000 ] - [ 0.0002515100000000, 0.0002628700000000, 0.0005388400000000 ] - [ -0.0000552600000000, 0.0002784400000000, 0.0006049600000000 ] - [ 0.0001014200000000, 0.0002671800000000, 0.0005656800000000 ] - [ 0.0005381300000000, 0.0000780000000000, 0.0008090000000000 ] - [ 0.0003328900000000, 0.0001574800000000, 0.0007573500000000 ] - [ 0.0017458900000000, 0.0032208800000000, 0.0063073900000000 ] - [ 0.0002263200000000, -0.0002280800000000, 0.0006232800000000 ] - [ -0.0033451500000000, -0.0036342500000000, -0.0007609000000000 ] - [ 0.0001722800000000, -0.0002746400000000, 0.0005758800000000 ] - [ -0.0002474900000000, -0.0005111600000000, 0.0008536200000000 ] - [ 0.0003077300000000, -0.0001653600000000, 0.0006729200000000 ] - [ -0.0004411800000000, -0.0000160900000000, -0.0008229000000000 ] - [ -0.0007440300000000, 0.0002674100000000, -0.0011980600000000 ] - [ 0.0000004800000000, -0.0004486000000000, -0.0004749200000000 ] - [ -0.0004279100000000, -0.0001773700000000, -0.0005320900000000 ] - [ -0.0001286900000000, -0.0003452700000000, -0.0004803400000000 ] - [ 0.0005133500000000, -0.0007914100000000, -0.0001016100000000 ] - [ -0.0004411800000000, 0.0000160900000000, -0.0008229000000000 ] - [ -0.0007440300000000, -0.0002674100000000, -0.0011980600000000 ] - [ 0.0000004800000000, 0.0004486000000000, -0.0004749200000000 ] - [ -0.0004279100000000, 0.0001773700000000, -0.0005320900000000 ] - [ -0.0001286900000000, 0.0003452700000000, -0.0004803400000000 ] - [ 0.0005133500000000, 0.0007914100000000, -0.0001016100000000 ] - [ -0.0004240200000000, 0.0000000000000000, -0.0001050200000000 ] - [ -0.0005145700000000, 0.0000000000000000, -0.0001397300000000 ] - [ -0.0003549300000000, 0.0000000000000000, -0.0001511500000000 ] - [ -0.0004595300000000, 0.0000000000000000, 0.0000310300000000 ] - [ -0.0004524600000000, 0.0000000000000000, 0.0000357300000000 ] - [ -0.0002351400000000, 0.0000000000000000, -0.0001051500000000 ] - [ 0.0002748300000000, 0.0000000000000000, 0.0001365100000000 ] - [ 0.0004241400000000, 0.0000000000000000, 0.0000689900000000 ] - [ 0.0005622500000000, 0.0000000000000000, -0.0001427700000000 ] - [ 0.0003828000000000, 0.0000000000000000, 0.0000910100000000 ] - [ 0.0003576600000000, 0.0000000000000000, 0.0002144000000000 ] - [ 0.0004333400000000, 0.0000000000000000, 0.0000630100000000 ] - [ 0.0017458900000000, -0.0032208800000000, 0.0063073900000000 ] - [ 0.0002263200000000, 0.0002280800000000, 0.0006232800000000 ] - [ -0.0033451500000000, 0.0036342500000000, -0.0007609000000000 ] - [ 0.0001722800000000, 0.0002746400000000, 0.0005758800000000 ] - [ -0.0002474900000000, 0.0005111600000000, 0.0008536200000000 ] - [ 0.0003077300000000, 0.0001653600000000, 0.0006729200000000 ] - [ -0.0023862600000000, -0.0010324300000000, 0.0009328600000000 ] - [ -0.0000655000000000, 0.0002536000000000, -0.0001518300000000 ] - [ 0.0019111400000000, 0.0018035800000000, 0.0004588000000000 ] - [ -0.0001092200000000, 0.0002608300000000, 0.0000906000000000 ] - [ 0.0000001400000000, 0.0004465100000000, 0.0007864600000000 ] - [ 0.0002412200000000, 0.0001501700000000, 0.0000838500000000 ] - [ -0.0023862600000000, 0.0010324300000000, 0.0009328600000000 ] - [ -0.0000655000000000, -0.0002536000000000, -0.0001518300000000 ] - [ 0.0019111400000000, -0.0018035800000000, 0.0004588000000000 ] - [ -0.0001092200000000, -0.0002608300000000, 0.0000906000000000 ] - [ 0.0000001400000000, -0.0004465100000000, 0.0007864600000000 ] - [ 0.0002412200000000, -0.0001501700000000, 0.0000838500000000 ] - [ 0.0006791500000000, 0.0005269600000000, -0.0008646600000000 ] - [ -0.0000751200000000, 0.0002310600000000, -0.0000062100000000 ] - [ -0.0003193300000000, -0.0001104300000000, 0.0002011000000000 ] - [ 0.0000256700000000, 0.0002154500000000, -0.0000731800000000 ] - [ -0.0002724500000000, 0.0003961100000000, 0.0006520800000000 ] - [ 0.0000810500000000, 0.0002207700000000, 0.0000911000000000 ] - [ 0.0006791500000000, -0.0005269600000000, -0.0008646600000000 ] - [ -0.0000751200000000, -0.0002310600000000, -0.0000062100000000 ] - [ -0.0003193300000000, 0.0001104300000000, 0.0002011000000000 ] - [ 0.0000256700000000, -0.0002154500000000, -0.0000731800000000 ] - [ -0.0002724500000000, -0.0003961100000000, 0.0006520800000000 ] - [ 0.0000810500000000, -0.0002207700000000, 0.0000911000000000 ] - [ -0.2009845100000000, 0.0000000000000000, 0.3776543300000000 ] - [ 0.0000986400000000, 0.0000000000000000, 0.0004067200000000 ] - [ 0.0041824500000000, 0.0000000000000000, -0.0033993400000000 ] - [ 0.0001343500000000, 0.0000000000000000, 0.0003681000000000 ] - [ 0.0011195200000000, 0.0000000000000000, -0.0014732300000000 ] - [ -0.0001411900000000, 0.0000000000000000, 0.0003200200000000 ] - [ 0.0009451000000000, 0.0000000000000000, -0.0001818600000000 ] - [ 0.0003465600000000, 0.0000000000000000, 0.0002741300000000 ] - [ -0.0010393900000000, 0.0000000000000000, -0.0004051000000000 ] - [ 0.0002776800000000, 0.0000000000000000, -0.0004772800000000 ] - [ -0.0002699000000000, 0.0000000000000000, -0.0008920100000000 ] - [ -0.0009352200000000, 0.0000000000000000, -0.0009888800000000 ] - [ 0.0003453800000000, 0.0001261900000000, -0.0003874600000000 ] - [ -0.0001034400000000, 0.0002987400000000, 0.0000751400000000 ] - [ 0.0002418600000000, -0.0001189100000000, 0.0010867200000000 ] - [ 0.0001480000000000, 0.0003344100000000, 0.0000657100000000 ] - [ -0.0004125700000000, 0.0009134800000000, -0.0004787900000000 ] - [ -0.0001215200000000, 0.0003436100000000, -0.0001795700000000 ] - [ 0.0003453800000000, -0.0001261900000000, -0.0003874600000000 ] - [ -0.0001034400000000, -0.0002987400000000, 0.0000751400000000 ] - [ 0.0002418600000000, 0.0001189100000000, 0.0010867200000000 ] - [ 0.0001480000000000, -0.0003344100000000, 0.0000657100000000 ] - [ -0.0004125700000000, -0.0009134800000000, -0.0004787900000000 ] - [ -0.0001215200000000, -0.0003436100000000, -0.0001795700000000 ] - [ 0.0002370200000000, 0.0000000000000000, 0.0004116200000000 ] - [ -0.0000654600000000, 0.0000000000000000, 0.0007799200000000 ] - [ 0.0002741400000000, 0.0000000000000000, 0.0006189000000000 ] - [ 0.0003123400000000, 0.0000000000000000, 0.0003413400000000 ] - [ -0.0002946200000000, 0.0000000000000000, 0.0001039900000000 ] - [ -0.0001016200000000, 0.0000000000000000, -0.0000251500000000 ] - [ -0.0001588600000000, 0.0000000000000000, 0.0001292200000000 ] - [ 0.0000113800000000, 0.0000000000000000, -0.0003669300000000 ] - [ 0.0000044200000000, 0.0000000000000000, -0.0004106000000000 ] - [ -0.0001090700000000, 0.0000000000000000, -0.0003897200000000 ] - [ 0.0001039000000000, 0.0000000000000000, -0.0007567800000000 ] - [ -0.0001693100000000, 0.0000000000000000, -0.0004309200000000 ] - [ -0.0021494400000000, 0.0023206300000000, -0.0025467800000000 ] - [ -0.0000575900000000, 0.0002718400000000, -0.0001260400000000 ] - [ 0.0016998000000000, -0.0010838100000000, 0.0017906500000000 ] - [ 0.0001894300000000, 0.0004558300000000, 0.0001788200000000 ] - [ 0.0006164800000000, 0.0001197700000000, -0.0005169100000000 ] - [ -0.0002401200000000, 0.0002099200000000, -0.0001144700000000 ] - [ -0.0021494400000000, -0.0023206300000000, -0.0025467800000000 ] - [ -0.0000575900000000, -0.0002718400000000, -0.0001260400000000 ] - [ 0.0016998000000000, 0.0010838100000000, 0.0017906500000000 ] - [ 0.0001894300000000, -0.0004558300000000, 0.0001788200000000 ] - [ 0.0006164800000000, -0.0001197700000000, -0.0005169100000000 ] - [ -0.0002401200000000, -0.0002099200000000, -0.0001144700000000 ]- atom: 19 displacement: [ 0.0035913823858773, 0.0000000000000000, -0.0093328437551697 ] forces: - [ 0.0003123100000000, -0.0001563000000000, 0.0006472600000000 ] - [ 0.0001815000000000, -0.0002084700000000, 0.0006832000000000 ] - [ 0.0004830500000000, -0.0001910500000000, 0.0006198200000000 ] - [ 0.0003279900000000, -0.0002034700000000, 0.0006599700000000 ] - [ -0.0000963600000000, -0.0003872500000000, 0.0004214500000000 ] - [ 0.0001026800000000, -0.0003100700000000, 0.0004704400000000 ] - [ -0.0001602400000000, -0.0001275900000000, -0.0002571000000000 ] - [ -0.0001714700000000, -0.0002685700000000, -0.0005798800000000 ] - [ -0.0001854600000000, -0.0004291600000000, -0.0006605600000000 ] - [ -0.0002730500000000, -0.0002002200000000, -0.0006430100000000 ] - [ -0.0001545700000000, -0.0001620700000000, -0.0007585500000000 ] - [ -0.0002595500000000, -0.0002024100000000, -0.0006474800000000 ] - [ -0.0001602400000000, 0.0001275900000000, -0.0002571000000000 ] - [ -0.0001714700000000, 0.0002685700000000, -0.0005798800000000 ] - [ -0.0001854600000000, 0.0004291600000000, -0.0006605600000000 ] - [ -0.0002730500000000, 0.0002002200000000, -0.0006430100000000 ] - [ -0.0001545700000000, 0.0001620700000000, -0.0007585500000000 ] - [ -0.0002595500000000, 0.0002024100000000, -0.0006474800000000 ] - [ -0.2201197300000000, 0.0000000000000000, 0.4129491100000000 ] - [ -0.0003819200000000, 0.0000000000000000, -0.0000721300000000 ] - [ 0.0009273200000000, 0.0000000000000000, -0.0006321700000000 ] - [ -0.0004573000000000, 0.0000000000000000, -0.0000636800000000 ] - [ 0.0001292500000000, 0.0000000000000000, -0.0009461400000000 ] - [ -0.0004279200000000, 0.0000000000000000, -0.0000492600000000 ] - [ 0.0004565600000000, 0.0000000000000000, -0.0000918500000000 ] - [ 0.0001351300000000, 0.0000000000000000, 0.0002366800000000 ] - [ 0.0004712800000000, 0.0000000000000000, 0.0003482100000000 ] - [ 0.0005632400000000, 0.0000000000000000, 0.0001201400000000 ] - [ 0.0002313200000000, 0.0000000000000000, -0.0000501900000000 ] - [ 0.0004800000000000, 0.0000000000000000, -0.0001976800000000 ] - [ 0.0003123100000000, 0.0001563000000000, 0.0006472600000000 ] - [ 0.0001815000000000, 0.0002084700000000, 0.0006832000000000 ] - [ 0.0004830500000000, 0.0001910500000000, 0.0006198200000000 ] - [ 0.0003279900000000, 0.0002034700000000, 0.0006599700000000 ] - [ -0.0000963600000000, 0.0003872500000000, 0.0004214500000000 ] - [ 0.0001026800000000, 0.0003100700000000, 0.0004704400000000 ] - [ -0.0012674700000000, -0.0036685900000000, -0.0050792400000000 ] - [ 0.0002064600000000, -0.0002429600000000, 0.0006003100000000 ] - [ 0.0036929400000000, 0.0030760800000000, 0.0019334600000000 ] - [ 0.0002592000000000, -0.0001951600000000, 0.0006504800000000 ] - [ 0.0006801300000000, 0.0000445000000000, 0.0003835800000000 ] - [ 0.0001278600000000, -0.0003022300000000, 0.0005539400000000 ] - [ -0.0000001100000000, -0.0004462300000000, -0.0004076800000000 ] - [ 0.0003011800000000, -0.0007258300000000, -0.0000378200000000 ] - [ -0.0004303700000000, -0.0000234500000000, -0.0007502900000000 ] - [ -0.0000084900000000, -0.0002911600000000, -0.0006930100000000 ] - [ -0.0003061300000000, -0.0001250600000000, -0.0007424200000000 ] - [ -0.0009393300000000, 0.0003157100000000, -0.0011163200000000 ] - [ -0.0000001100000000, 0.0004462300000000, -0.0004076800000000 ] - [ 0.0003011800000000, 0.0007258300000000, -0.0000378200000000 ] - [ -0.0004303700000000, 0.0000234500000000, -0.0007502900000000 ] - [ -0.0000084900000000, 0.0002911600000000, -0.0006930100000000 ] - [ -0.0003061300000000, 0.0001250600000000, -0.0007424200000000 ] - [ -0.0009393300000000, -0.0003157100000000, -0.0011163200000000 ] - [ -0.0003988000000000, 0.0000000000000000, -0.0000239800000000 ] - [ -0.0003090200000000, 0.0000000000000000, 0.0000086800000000 ] - [ -0.0004711700000000, 0.0000000000000000, 0.0000198900000000 ] - [ -0.0003638500000000, 0.0000000000000000, -0.0001667200000000 ] - [ -0.0003704300000000, 0.0000000000000000, -0.0001641000000000 ] - [ -0.0005857500000000, 0.0000000000000000, -0.0000242300000000 ] - [ 0.0005431900000000, 0.0000000000000000, -0.0000006100000000 ] - [ 0.0003962000000000, 0.0000000000000000, 0.0000631400000000 ] - [ 0.0002680400000000, 0.0000000000000000, 0.0002697300000000 ] - [ 0.0004443200000000, 0.0000000000000000, 0.0000378800000000 ] - [ 0.0004661900000000, 0.0000000000000000, -0.0000867300000000 ] - [ 0.0003890000000000, 0.0000000000000000, 0.0000652300000000 ] - [ -0.0012674700000000, 0.0036685900000000, -0.0050792400000000 ] - [ 0.0002064600000000, 0.0002429600000000, 0.0006003100000000 ] - [ 0.0036929400000000, -0.0030760800000000, 0.0019334600000000 ] - [ 0.0002592000000000, 0.0001951600000000, 0.0006504800000000 ] - [ 0.0006801300000000, -0.0000445000000000, 0.0003835800000000 ] - [ 0.0001278600000000, 0.0003022300000000, 0.0005539400000000 ] - [ 0.0023634400000000, 0.0014062600000000, -0.0010498800000000 ] - [ 0.0000862500000000, 0.0001836900000000, 0.0000286600000000 ] - [ -0.0018664100000000, -0.0012898600000000, -0.0004672000000000 ] - [ 0.0001081000000000, 0.0002185700000000, -0.0000918900000000 ] - [ -0.0000253400000000, -0.0000322100000000, -0.0006478300000000 ] - [ -0.0002627700000000, 0.0002817500000000, 0.0000390700000000 ] - [ 0.0023634400000000, -0.0014062600000000, -0.0010498800000000 ] - [ 0.0000862500000000, -0.0001836900000000, 0.0000286600000000 ] - [ -0.0018664100000000, 0.0012898600000000, -0.0004672000000000 ] - [ 0.0001081000000000, -0.0002185700000000, -0.0000918900000000 ] - [ -0.0000253400000000, 0.0000322100000000, -0.0006478300000000 ] - [ -0.0002627700000000, -0.0002817500000000, 0.0000390700000000 ] - [ -0.0006444000000000, -0.0000969000000000, 0.0007347500000000 ] - [ 0.0000948400000000, 0.0001987700000000, -0.0001149100000000 ] - [ 0.0003141900000000, 0.0005705900000000, -0.0001984800000000 ] - [ -0.0000281100000000, 0.0002753400000000, 0.0000731400000000 ] - [ 0.0002507800000000, 0.0000272600000000, -0.0005227300000000 ] - [ -0.0001018900000000, 0.0002134700000000, 0.0000306700000000 ] - [ -0.0006444000000000, 0.0000969000000000, 0.0007347500000000 ] - [ 0.0000948400000000, -0.0001987700000000, -0.0001149100000000 ] - [ 0.0003141900000000, -0.0005705900000000, -0.0001984800000000 ] - [ -0.0000281100000000, -0.0002753400000000, 0.0000731400000000 ] - [ 0.0002507800000000, -0.0000272600000000, -0.0005227300000000 ] - [ -0.0001018900000000, -0.0002134700000000, 0.0000306700000000 ] - [ 0.2175330200000000, 0.0000000000000000, -0.4055062300000000 ] - [ 0.0000276200000000, 0.0000000000000000, 0.0003752400000000 ] - [ -0.0039141000000000, 0.0000000000000000, 0.0039709900000000 ] - [ -0.0000084200000000, 0.0000000000000000, 0.0003555500000000 ] - [ -0.0009586600000000, 0.0000000000000000, 0.0021479700000000 ] - [ 0.0002769100000000, 0.0000000000000000, 0.0004090600000000 ] - [ -0.0010596900000000, 0.0000000000000000, -0.0005562200000000 ] - [ -0.0004754400000000, 0.0000000000000000, -0.0009987500000000 ] - [ 0.0009044000000000, 0.0000000000000000, -0.0003139500000000 ] - [ -0.0003919900000000, 0.0000000000000000, -0.0002531000000000 ] - [ 0.0001431000000000, 0.0000000000000000, 0.0001144500000000 ] - [ 0.0008042500000000, 0.0000000000000000, 0.0002031900000000 ] - [ -0.0003373400000000, 0.0005319400000000, 0.0003817400000000 ] - [ 0.0001043000000000, 0.0003677700000000, -0.0000720900000000 ] - [ -0.0002428900000000, 0.0007602200000000, -0.0010357600000000 ] - [ -0.0001466500000000, 0.0003226700000000, -0.0000291900000000 ] - [ 0.0004046600000000, -0.0002504100000000, 0.0004339800000000 ] - [ 0.0001251100000000, 0.0003093700000000, 0.0001441200000000 ] - [ -0.0003373400000000, -0.0005319400000000, 0.0003817400000000 ] - [ 0.0001043000000000, -0.0003677700000000, -0.0000720900000000 ] - [ -0.0002428900000000, -0.0007602200000000, -0.0010357600000000 ] - [ -0.0001466500000000, -0.0003226700000000, -0.0000291900000000 ] - [ 0.0004046600000000, 0.0002504100000000, 0.0004339800000000 ] - [ 0.0001251100000000, -0.0003093700000000, 0.0001441200000000 ] - [ -0.0001065000000000, 0.0000000000000000, 0.0003683600000000 ] - [ 0.0001899900000000, 0.0000000000000000, 0.0000074700000000 ] - [ -0.0001471100000000, 0.0000000000000000, 0.0001086200000000 ] - [ -0.0001885900000000, 0.0000000000000000, 0.0003866700000000 ] - [ 0.0004231000000000, 0.0000000000000000, 0.0006233900000000 ] - [ 0.0002394000000000, 0.0000000000000000, 0.0007515600000000 ] - [ 0.0000150700000000, 0.0000000000000000, -0.0008647600000000 ] - [ -0.0001457500000000, 0.0000000000000000, -0.0003674100000000 ] - [ -0.0001233100000000, 0.0000000000000000, -0.0003139500000000 ] - [ -0.0000125700000000, 0.0000000000000000, -0.0003262300000000 ] - [ -0.0002336100000000, 0.0000000000000000, -0.0000245100000000 ] - [ 0.0000447200000000, 0.0000000000000000, -0.0003464200000000 ] - [ 0.0021180800000000, -0.0016421200000000, 0.0025389200000000 ] - [ 0.0000586700000000, 0.0003912100000000, 0.0001255300000000 ] - [ -0.0016660900000000, 0.0017012700000000, -0.0017110400000000 ] - [ -0.0001874100000000, 0.0002059600000000, -0.0001407200000000 ] - [ -0.0006075400000000, 0.0005358000000000, 0.0004714800000000 ] - [ 0.0002402000000000, 0.0004398900000000, 0.0000789800000000 ] - [ 0.0021180800000000, 0.0016421200000000, 0.0025389200000000 ] - [ 0.0000586700000000, -0.0003912100000000, 0.0001255300000000 ] - [ -0.0016660900000000, -0.0017012700000000, -0.0017110400000000 ] - [ -0.0001874100000000, -0.0002059600000000, -0.0001407200000000 ] - [ -0.0006075400000000, -0.0005358000000000, 0.0004714800000000 ] - [ 0.0002402000000000, -0.0004398900000000, 0.0000789800000000 ]- atom: 73 displacement: [ 0.0099998253914003, 0.0000000000000000, 0.0000590943441047 ] forces: - [ 0.0013170200000000, 0.0032775000000000, -0.0022475300000000 ] - [ 0.0007721700000000, 0.0000273700000000, 0.0008960400000000 ] - [ -0.0034476700000000, -0.0004408800000000, 0.0008643700000000 ] - [ 0.0006687100000000, 0.0000202300000000, 0.0008658500000000 ] - [ -0.0001849000000000, -0.0004810500000000, 0.0001183300000000 ] - [ 0.0007341400000000, 0.0000527600000000, 0.0009878300000000 ] - [ 0.0009152500000000, -0.0037252200000000, -0.0034553400000000 ] - [ 0.0003423400000000, -0.0005004400000000, -0.0003266000000000 ] - [ -0.0006127000000000, 0.0000081600000000, -0.0011057500000000 ] - [ 0.0003036100000000, -0.0005243400000000, -0.0002364000000000 ] - [ -0.0038632200000000, -0.0000418300000000, -0.0003480200000000 ] - [ 0.0002367200000000, -0.0004906700000000, -0.0003605400000000 ] - [ -0.0012207000000000, -0.0003767800000000, -0.0013958400000000 ] - [ 0.0003197500000000, 0.0005339400000000, -0.0003146000000000 ] - [ -0.0006608700000000, -0.0000339600000000, -0.0010060500000000 ] - [ 0.0002989400000000, 0.0005442500000000, -0.0002427400000000 ] - [ -0.0011137100000000, 0.0000870800000000, -0.0009048100000000 ] - [ 0.0002199200000000, 0.0004886500000000, -0.0003694900000000 ] - [ 0.0032717600000000, 0.0034611700000000, -0.0011726100000000 ] - [ -0.0000626500000000, -0.0000476500000000, -0.0000117800000000 ] - [ -0.0006009100000000, -0.0001076000000000, -0.0001172400000000 ] - [ -0.0002887800000000, -0.0000205400000000, 0.0002542100000000 ] - [ -0.0014198800000000, 0.0005330200000000, 0.0015741100000000 ] - [ -0.0001893400000000, -0.0000150600000000, -0.0001023800000000 ] - [ 0.0041363600000000, -0.0035313100000000, -0.0010646200000000 ] - [ 0.0007574300000000, 0.0000465300000000, 0.0001177500000000 ] - [ -0.0006103300000000, -0.0005305900000000, 0.0017025200000000 ] - [ 0.0006302400000000, 0.0000146500000000, 0.0000323300000000 ] - [ 0.0002185600000000, 0.0001094000000000, 0.0000170900000000 ] - [ 0.0005360200000000, 0.0000197300000000, 0.0003796600000000 ] - [ -0.0007922900000000, 0.0008468300000000, -0.0001732200000000 ] - [ 0.0007549000000000, -0.0000632500000000, 0.0009097800000000 ] - [ -0.0006832400000000, 0.0003842700000000, 0.0003176800000000 ] - [ 0.0006547100000000, -0.0000203600000000, 0.0008581600000000 ] - [ -0.0002301900000000, 0.0005040300000000, 0.0002187300000000 ] - [ 0.0007332600000000, -0.0000743700000000, 0.0009827700000000 ] - [ 0.0034996400000000, 0.0028378100000000, 0.0031875000000000 ] - [ 0.0006756800000000, -0.0000514200000000, 0.0007248600000000 ] - [ 0.0005834800000000, 0.0000420400000000, 0.0004300400000000 ] - [ 0.0009695300000000, 0.0002665400000000, 0.0011173800000000 ] - [ 0.0001805300000000, -0.0001803200000000, 0.0006436800000000 ] - [ 0.0004452800000000, -0.0000868400000000, 0.0008029200000000 ] - [ 0.0030597600000000, -0.0032981100000000, 0.0019461800000000 ] - [ 0.0002421500000000, -0.0004187800000000, -0.0005005600000000 ] - [ -0.0002552900000000, -0.0002864000000000, -0.0005854200000000 ] - [ 0.0000162500000000, -0.0003867500000000, -0.0004203100000000 ] - [ 0.0001511900000000, -0.0005149600000000, -0.0007934800000000 ] - [ 0.0005398500000000, -0.0007430200000000, -0.0001055700000000 ] - [ 0.0049822400000000, 0.0013847600000000, 0.0025910100000000 ] - [ 0.0004147300000000, 0.0006188800000000, -0.0003785300000000 ] - [ -0.0003663600000000, 0.0002229000000000, -0.0005297200000000 ] - [ 0.0000846800000000, 0.0004558100000000, -0.0003843800000000 ] - [ 0.0002470500000000, 0.0002331800000000, -0.0010852500000000 ] - [ 0.0011559900000000, 0.0015570600000000, 0.0003822100000000 ] - [ -0.0007592500000000, 0.0007270600000000, 0.0005142000000000 ] - [ -0.0002411500000000, -0.0000066700000000, -0.0000820400000000 ] - [ -0.0005086600000000, -0.0001227800000000, -0.0003847500000000 ] - [ -0.0003576700000000, -0.0000051100000000, 0.0000606700000000 ] - [ -0.0003572000000000, 0.0000981600000000, -0.0003852400000000 ] - [ -0.0001377900000000, -0.0000493200000000, 0.0000594900000000 ] - [ 0.0000684100000000, -0.0007219000000000, 0.0006369000000000 ] - [ 0.0005817600000000, 0.0000069500000000, 0.0000418700000000 ] - [ 0.0004643000000000, -0.0000993700000000, -0.0002484100000000 ] - [ 0.0006779400000000, 0.0000509400000000, 0.0002011400000000 ] - [ 0.0003121700000000, 0.0001210900000000, -0.0002486600000000 ] - [ 0.0004708000000000, 0.0000052400000000, 0.0001801900000000 ] - [ 0.0053717000000000, -0.0009352200000000, 0.0037844600000000 ] - [ 0.0008516100000000, -0.0001521400000000, 0.0008481000000000 ] - [ 0.0006767300000000, 0.0002360600000000, 0.0001443100000000 ] - [ 0.0015976600000000, -0.0011001400000000, 0.0016137900000000 ] - [ 0.0000730500000000, 0.0002419100000000, 0.0006999600000000 ] - [ 0.0005161900000000, 0.0000158500000000, 0.0008399600000000 ] - [ -0.0491218200000000, 0.0007778100000000, 0.0075761500000000 ] - [ 0.0007465600000000, 0.0002098900000000, 0.0000279000000000 ] - [ -0.0008058800000000, 0.0003315700000000, -0.0024534600000000 ] - [ 0.0006915500000000, 0.0003198400000000, 0.0003385300000000 ] - [ -0.0008282200000000, 0.0001316700000000, -0.0023912500000000 ] - [ 0.0006764900000000, 0.0001379300000000, 0.0004008800000000 ] - [ -0.0053743800000000, -0.0001878000000000, -0.0003496800000000 ] - [ 0.0007126100000000, -0.0002129800000000, 0.0000179900000000 ] - [ -0.0008876200000000, 0.0000012900000000, -0.0009168800000000 ] - [ 0.0006501900000000, -0.0003267300000000, 0.0003067500000000 ] - [ -0.0009025600000000, -0.0004597100000000, -0.0008507300000000 ] - [ 0.0006367700000000, -0.0001233300000000, 0.0003682000000000 ] - [ 0.0006333000000000, 0.0005559400000000, -0.0002169400000000 ] - [ 0.0006320900000000, -0.0001284200000000, -0.0002152900000000 ] - [ 0.0001711200000000, 0.0004629200000000, -0.0001717000000000 ] - [ -0.0002810300000000, -0.0002072800000000, 0.0005184900000000 ] - [ -0.0002907400000000, 0.0006596500000000, 0.0005782000000000 ] - [ 0.0001566200000000, -0.0000074400000000, -0.0001130900000000 ] - [ 0.0014117100000000, -0.0011656800000000, -0.0003044200000000 ] - [ 0.0014244300000000, 0.0007508300000000, -0.0003084800000000 ] - [ 0.0001995100000000, -0.0005516600000000, -0.0002286500000000 ] - [ -0.0002038600000000, 0.0005694800000000, 0.0009579600000000 ] - [ -0.0002129600000000, -0.0010177200000000, 0.0010132700000000 ] - [ 0.0001849200000000, 0.0001023800000000, -0.0001709600000000 ] - [ 0.0110347300000000, 0.0036488900000000, -0.0015276300000000 ] - [ -0.0010061700000000, 0.0001284000000000, 0.0001290900000000 ] - [ -0.0001802300000000, -0.0002946100000000, 0.0019495100000000 ] - [ -0.0015144100000000, 0.0004146000000000, -0.0007259700000000 ] - [ 0.0014625700000000, -0.0000460600000000, 0.0003211000000000 ] - [ -0.0005997100000000, 0.0000394800000000, -0.0000077900000000 ] - [ 0.0114462000000000, -0.0041925600000000, -0.0021563500000000 ] - [ -0.0011379400000000, -0.0001230100000000, -0.0006264400000000 ] - [ 0.0013361200000000, 0.0000429400000000, -0.0003980900000000 ] - [ -0.0007425400000000, -0.0000458400000000, -0.0007443200000000 ] - [ -0.0003029700000000, 0.0002959700000000, 0.0011990200000000 ] - [ -0.0016482600000000, -0.0004128700000000, -0.0014720500000000 ] - [ 0.0021643600000000, 0.0002834200000000, 0.0009283000000000 ] - [ -0.0008797200000000, 0.0003568400000000, -0.0003623700000000 ] - [ 0.0021623100000000, 0.0003821900000000, 0.0009375600000000 ] - [ -0.0008847800000000, 0.0003186700000000, -0.0003357900000000 ] - [ 0.0008159000000000, 0.0003294900000000, 0.0007449200000000 ] - [ -0.0008688000000000, 0.0003357700000000, -0.0006463700000000 ] - [ 0.0091773600000000, 0.0022512500000000, -0.0026915600000000 ] - [ -0.0009143000000000, -0.0003315400000000, -0.0003535400000000 ] - [ 0.0091978200000000, -0.0029154400000000, -0.0026286700000000 ] - [ -0.0009178000000000, -0.0003271200000000, -0.0003386800000000 ] - [ 0.0005872300000000, -0.0003275500000000, 0.0012417100000000 ] - [ -0.0008625000000000, -0.0003296500000000, -0.0006469800000000 ] - [ 0.0001202800000000, -0.0017624200000000, 0.0010468900000000 ] - [ -0.0008896600000000, 0.0001024100000000, 0.0001041300000000 ] - [ 0.0024304700000000, 0.0008991300000000, 0.0011255700000000 ] - [ -0.0005379700000000, 0.0000214200000000, 0.0001136000000000 ] - [ 0.0004256200000000, -0.0000864300000000, 0.0010576400000000 ] - [ -0.0005455100000000, 0.0001074400000000, -0.0003662200000000 ] - [ -0.0000373700000000, 0.0017622300000000, 0.0002823700000000 ] - [ -0.0010322500000000, -0.0000997000000000, -0.0006493200000000 ] - [ 0.0002859400000000, 0.0000856500000000, 0.0003195100000000 ] - [ -0.0006810900000000, -0.0001134400000000, -0.0011082600000000 ] - [ 0.0022911200000000, -0.0008955000000000, 0.0003649400000000 ] - [ -0.0006712700000000, -0.0000267400000000, -0.0006262300000000 ] - [ -0.0032002900000000, 0.0009823300000000, -0.0022475800000000 ] - [ -0.0010938700000000, 0.0003793400000000, 0.0004400400000000 ] - [ -0.0010894000000000, 0.0002887300000000, 0.0004573800000000 ] - [ -0.0032204800000000, -0.0003023800000000, -0.0022401600000000 ] - [ -0.0000451900000000, 0.0003111900000000, -0.0003239100000000 ] - [ -0.0000396400000000, 0.0003560500000000, -0.0003224200000000 ] - [ -0.0027881000000000, -0.0023912100000000, -0.0020950800000000 ] - [ -0.0007423200000000, -0.0001721500000000, 0.0002366600000000 ] - [ -0.0007423900000000, -0.0004976900000000, 0.0002483400000000 ] - [ -0.0027740400000000, 0.0017096400000000, -0.0020703700000000 ] - [ -0.0000691000000000, -0.0003639800000000, -0.0002059700000000 ] - [ -0.0000641200000000, -0.0002946400000000, -0.0002031100000000 ]- atom: 73 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0051017000000000, 0.0046618300000000, -0.0012936400000000 ] - [ 0.0001654600000000, -0.0003312300000000, 0.0005488700000000 ] - [ 0.0016532000000000, 0.0035033100000000, 0.0044620500000000 ] - [ 0.0001602300000000, -0.0002942800000000, 0.0005750500000000 ] - [ 0.0006146700000000, 0.0000354400000000, 0.0006696400000000 ] - [ 0.0001707500000000, -0.0003082400000000, 0.0005910400000000 ] - [ -0.0051017000000000, 0.0046618300000000, 0.0012936400000000 ] - [ -0.0001654600000000, -0.0003312300000000, -0.0005488700000000 ] - [ -0.0006146700000000, 0.0000354400000000, -0.0006696400000000 ] - [ -0.0001707500000000, -0.0003082400000000, -0.0005910400000000 ] - [ -0.0016532000000000, 0.0035033100000000, -0.0044620500000000 ] - [ -0.0001602300000000, -0.0002942800000000, -0.0005750500000000 ] - [ 0.0006968800000000, 0.0017397200000000, 0.0001713400000000 ] - [ -0.0001661700000000, 0.0003631700000000, -0.0005349300000000 ] - [ -0.0000122200000000, 0.0005852900000000, -0.0004934800000000 ] - [ -0.0001712100000000, 0.0003274600000000, -0.0005900100000000 ] - [ 0.0005435800000000, 0.0013408700000000, -0.0002021800000000 ] - [ -0.0001535500000000, 0.0003184200000000, -0.0005625700000000 ] - [ 0.0017718200000000, 0.0004975200000000, -0.0005304600000000 ] - [ -0.0005293900000000, -0.0000254400000000, -0.0000721600000000 ] - [ -0.0005571700000000, -0.0000344400000000, 0.0001307100000000 ] - [ -0.0004196000000000, -0.0000122200000000, -0.0001382400000000 ] - [ 0.0001219000000000, -0.0000666400000000, 0.0017961100000000 ] - [ -0.0004186100000000, -0.0000122200000000, -0.0000494400000000 ] - [ -0.0017718200000000, 0.0004975200000000, 0.0005304600000000 ] - [ 0.0005293900000000, -0.0000254400000000, 0.0000721600000000 ] - [ -0.0001219000000000, -0.0000666400000000, -0.0017961100000000 ] - [ 0.0004186100000000, -0.0000122200000000, 0.0000494400000000 ] - [ 0.0005571700000000, -0.0000344400000000, -0.0001307100000000 ] - [ 0.0004196000000000, -0.0000122200000000, 0.0001382400000000 ] - [ -0.0006968800000000, 0.0017397200000000, -0.0001713400000000 ] - [ 0.0001661700000000, 0.0003631700000000, 0.0005349300000000 ] - [ -0.0005435800000000, 0.0013408700000000, 0.0002021800000000 ] - [ 0.0001535500000000, 0.0003184200000000, 0.0005625700000000 ] - [ 0.0000122200000000, 0.0005852900000000, 0.0004934800000000 ] - [ 0.0001712100000000, 0.0003274600000000, 0.0005900100000000 ] - [ 0.0025238900000000, 0.0027273400000000, 0.0025121500000000 ] - [ 0.0001293600000000, -0.0002417100000000, 0.0006860000000000 ] - [ 0.0004683500000000, -0.0000206500000000, 0.0004319500000000 ] - [ -0.0001741500000000, -0.0005538800000000, 0.0003196700000000 ] - [ 0.0005215600000000, 0.0002204300000000, 0.0008664100000000 ] - [ 0.0002337700000000, -0.0002505700000000, 0.0005980500000000 ] - [ -0.0025238900000000, 0.0027273400000000, -0.0025121500000000 ] - [ -0.0001293600000000, -0.0002417100000000, -0.0006860000000000 ] - [ -0.0005215600000000, 0.0002204300000000, -0.0008664100000000 ] - [ -0.0002337700000000, -0.0002505700000000, -0.0005980500000000 ] - [ -0.0004683500000000, -0.0000206500000000, -0.0004319500000000 ] - [ 0.0001741500000000, -0.0005538800000000, -0.0003196700000000 ] - [ -0.0025077900000000, -0.0039265000000000, -0.0026676100000000 ] - [ -0.0002544500000000, 0.0000890800000000, -0.0007956800000000 ] - [ -0.0005518600000000, -0.0004371400000000, -0.0008337700000000 ] - [ -0.0003213600000000, 0.0001520400000000, -0.0006475900000000 ] - [ -0.0003978500000000, -0.0002746000000000, -0.0005875100000000 ] - [ -0.0001552400000000, 0.0001597300000000, -0.0006234400000000 ] - [ 0.0003426700000000, 0.0012366500000000, 0.0005649600000000 ] - [ -0.0004502000000000, 0.0000085900000000, -0.0000705100000000 ] - [ -0.0003486900000000, 0.0001032700000000, 0.0001541100000000 ] - [ -0.0004601400000000, 0.0000062400000000, -0.0000762200000000 ] - [ -0.0000400500000000, 0.0003042000000000, -0.0002953400000000 ] - [ -0.0004096800000000, 0.0000261500000000, -0.0001040700000000 ] - [ -0.0003426700000000, 0.0012366500000000, -0.0005649600000000 ] - [ 0.0004502000000000, 0.0000085900000000, 0.0000705100000000 ] - [ 0.0000400500000000, 0.0003042000000000, 0.0002953400000000 ] - [ 0.0004096800000000, 0.0000261500000000, 0.0001040700000000 ] - [ 0.0003486900000000, 0.0001032700000000, -0.0001541100000000 ] - [ 0.0004601400000000, 0.0000062400000000, 0.0000762200000000 ] - [ 0.0025077900000000, -0.0039265000000000, 0.0026676100000000 ] - [ 0.0002544500000000, 0.0000890800000000, 0.0007956800000000 ] - [ 0.0003978500000000, -0.0002746000000000, 0.0005875100000000 ] - [ 0.0001552400000000, 0.0001597300000000, 0.0006234400000000 ] - [ 0.0005518600000000, -0.0004371400000000, 0.0008337700000000 ] - [ 0.0003213600000000, 0.0001520400000000, 0.0006475900000000 ] - [ 0.0000000000000000, -0.0607811700000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0001304900000000, 0.0000000000000000 ] - [ -0.0000794000000000, -0.0022617800000000, 0.0002400900000000 ] - [ -0.0000721300000000, 0.0001454800000000, -0.0000278700000000 ] - [ 0.0000794000000000, -0.0022617800000000, -0.0002400900000000 ] - [ 0.0000721300000000, 0.0001454800000000, 0.0000278700000000 ] - [ 0.0000000000000000, 0.0117605900000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0001438900000000, 0.0000000000000000 ] - [ 0.0002510800000000, 0.0005287500000000, -0.0007357000000000 ] - [ -0.0000823600000000, -0.0001566900000000, -0.0000404200000000 ] - [ -0.0002510800000000, 0.0005287500000000, 0.0007357000000000 ] - [ 0.0000823600000000, -0.0001566900000000, 0.0000404200000000 ] - [ -0.0003390400000000, 0.0011026900000000, -0.0002877100000000 ] - [ 0.0003390400000000, 0.0011026900000000, 0.0002877100000000 ] - [ -0.0002167800000000, 0.0005609700000000, -0.0001477000000000 ] - [ 0.0004568300000000, 0.0008836300000000, -0.0001122900000000 ] - [ -0.0004568300000000, 0.0008836300000000, 0.0001122900000000 ] - [ 0.0002167800000000, 0.0005609700000000, 0.0001477000000000 ] - [ -0.0009564100000000, -0.0007621000000000, -0.0003330600000000 ] - [ 0.0009564100000000, -0.0007621000000000, 0.0003330600000000 ] - [ -0.0003086600000000, -0.0004569200000000, -0.0001395500000000 ] - [ 0.0008109400000000, -0.0006149400000000, 0.0003169700000000 ] - [ -0.0008109400000000, -0.0006149400000000, -0.0003169700000000 ] - [ 0.0003086600000000, -0.0004569200000000, 0.0001395500000000 ] - [ 0.0034941200000000, 0.0103161500000000, -0.0012818400000000 ] - [ 0.0001156400000000, 0.0001007300000000, 0.0002889600000000 ] - [ -0.0003068400000000, 0.0004828500000000, 0.0011521200000000 ] - [ 0.0003067000000000, 0.0002288000000000, 0.0005301800000000 ] - [ -0.0001680400000000, 0.0006030100000000, -0.0009668900000000 ] - [ -0.0000279400000000, 0.0000567400000000, 0.0003557900000000 ] - [ -0.0034941200000000, 0.0103161500000000, 0.0012818400000000 ] - [ -0.0001156400000000, 0.0001007300000000, -0.0002889600000000 ] - [ 0.0001680400000000, 0.0006030100000000, 0.0009668900000000 ] - [ 0.0000279400000000, 0.0000567400000000, -0.0003557900000000 ] - [ 0.0003068400000000, 0.0004828500000000, -0.0011521200000000 ] - [ -0.0003067000000000, 0.0002288000000000, -0.0005301800000000 ] - [ 0.0002873400000000, -0.0023086700000000, -0.0003889800000000 ] - [ -0.0000241600000000, 0.0001623300000000, 0.0000045300000000 ] - [ -0.0002873400000000, -0.0023086700000000, 0.0003889800000000 ] - [ 0.0000241600000000, 0.0001623300000000, -0.0000045300000000 ] - [ 0.0000000000000000, -0.0003322000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0001905900000000, 0.0000000000000000 ] - [ 0.0016461200000000, 0.0096654000000000, -0.0063129000000000 ] - [ -0.0000196800000000, -0.0001961200000000, 0.0000102700000000 ] - [ -0.0016461200000000, 0.0096654000000000, 0.0063129000000000 ] - [ 0.0000196800000000, -0.0001961200000000, -0.0000102700000000 ] - [ 0.0000000000000000, -0.0000831400000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0001887400000000, 0.0000000000000000 ] - [ -0.0020178200000000, -0.0031371500000000, 0.0000426400000000 ] - [ 0.0004061600000000, -0.0000573500000000, 0.0005686600000000 ] - [ -0.0011778400000000, -0.0022274300000000, -0.0008288100000000 ] - [ 0.0002759300000000, -0.0000288800000000, 0.0004659800000000 ] - [ -0.0003586700000000, -0.0004817000000000, 0.0003795300000000 ] - [ 0.0003495400000000, -0.0000722500000000, 0.0004058800000000 ] - [ 0.0020178200000000, -0.0031371500000000, -0.0000426400000000 ] - [ -0.0004061600000000, -0.0000573500000000, -0.0005686600000000 ] - [ 0.0003586700000000, -0.0004817000000000, -0.0003795300000000 ] - [ -0.0003495400000000, -0.0000722500000000, -0.0004058800000000 ] - [ 0.0011778400000000, -0.0022274300000000, 0.0008288100000000 ] - [ -0.0002759300000000, -0.0000288800000000, -0.0004659800000000 ] - [ -0.0012385900000000, 0.0032132900000000, -0.0011280100000000 ] - [ -0.0000971500000000, 0.0009384900000000, -0.0001872100000000 ] - [ 0.0000971500000000, 0.0009384900000000, 0.0001872100000000 ] - [ 0.0012385900000000, 0.0032132900000000, 0.0011280100000000 ] - [ -0.0000266800000000, 0.0009492000000000, -0.0000786100000000 ] - [ 0.0000266800000000, 0.0009492000000000, 0.0000786100000000 ] - [ -0.0018010900000000, -0.0025253500000000, -0.0013274400000000 ] - [ 0.0001531200000000, -0.0007246700000000, -0.0002481500000000 ] - [ -0.0001531200000000, -0.0007246700000000, 0.0002481500000000 ] - [ 0.0018010900000000, -0.0025253500000000, 0.0013274400000000 ] - [ -0.0000525900000000, -0.0008197500000000, -0.0001479300000000 ] - [ 0.0000525900000000, -0.0008197500000000, 0.0001479300000000 ]- atom: 73 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0046257400000000, -0.0051088700000000, 0.0024681600000000 ] - [ 0.0002674200000000, -0.0001379200000000, 0.0006750000000000 ] - [ -0.0012450100000000, -0.0039584100000000, -0.0031919800000000 ] - [ 0.0002722900000000, -0.0001734300000000, 0.0006510100000000 ] - [ -0.0001798400000000, -0.0005007900000000, 0.0005580400000000 ] - [ 0.0002590500000000, -0.0001622800000000, 0.0006335200000000 ] - [ 0.0046257400000000, -0.0051088700000000, -0.0024681600000000 ] - [ -0.0002674200000000, -0.0001379200000000, -0.0006750000000000 ] - [ 0.0001798400000000, -0.0005007900000000, -0.0005580400000000 ] - [ -0.0002590500000000, -0.0001622800000000, -0.0006335200000000 ] - [ 0.0012450100000000, -0.0039584100000000, 0.0031919800000000 ] - [ -0.0002722900000000, -0.0001734300000000, -0.0006510100000000 ] - [ -0.0011349700000000, -0.0012715200000000, -0.0013967500000000 ] - [ -0.0002655800000000, 0.0001098100000000, -0.0006873700000000 ] - [ -0.0004176100000000, -0.0001146600000000, -0.0007308800000000 ] - [ -0.0002678400000000, 0.0001369000000000, -0.0006385400000000 ] - [ -0.0009814800000000, -0.0008738100000000, -0.0010279200000000 ] - [ -0.0002768200000000, 0.0001532800000000, -0.0006621600000000 ] - [ -0.0026085900000000, -0.0004880100000000, 0.0003904500000000 ] - [ -0.0002882400000000, 0.0000261800000000, -0.0000656100000000 ] - [ -0.0002601600000000, 0.0000343900000000, -0.0002737800000000 ] - [ -0.0004028200000000, 0.0000124800000000, 0.0000055200000000 ] - [ -0.0009468400000000, 0.0000774600000000, -0.0019370200000000 ] - [ -0.0004002000000000, 0.0000128100000000, -0.0000893600000000 ] - [ 0.0026085900000000, -0.0004880100000000, -0.0003904500000000 ] - [ 0.0002882400000000, 0.0000261800000000, 0.0000656100000000 ] - [ 0.0009468400000000, 0.0000774600000000, 0.0019370200000000 ] - [ 0.0004002000000000, 0.0000128100000000, 0.0000893600000000 ] - [ 0.0002601600000000, 0.0000343900000000, 0.0002737800000000 ] - [ 0.0004028200000000, 0.0000124800000000, -0.0000055200000000 ] - [ 0.0011349700000000, -0.0012715200000000, 0.0013967500000000 ] - [ 0.0002655800000000, 0.0001098100000000, 0.0006873700000000 ] - [ 0.0009814800000000, -0.0008738100000000, 0.0010279200000000 ] - [ 0.0002768200000000, 0.0001532800000000, 0.0006621600000000 ] - [ 0.0004176100000000, -0.0001146600000000, 0.0007308800000000 ] - [ 0.0002678400000000, 0.0001369000000000, 0.0006385400000000 ] - [ -0.0020835400000000, -0.0031843300000000, -0.0012728800000000 ] - [ 0.0003069900000000, -0.0002238900000000, 0.0005411500000000 ] - [ -0.0000362700000000, -0.0004476700000000, 0.0007926100000000 ] - [ 0.0006054700000000, 0.0000832100000000, 0.0009054000000000 ] - [ -0.0000864400000000, -0.0006852800000000, 0.0003613100000000 ] - [ 0.0002006400000000, -0.0002153900000000, 0.0006289800000000 ] - [ 0.0020835400000000, -0.0031843300000000, 0.0012728800000000 ] - [ -0.0003069900000000, -0.0002238900000000, -0.0005411500000000 ] - [ 0.0000864400000000, -0.0006852800000000, -0.0003613100000000 ] - [ -0.0002006400000000, -0.0002153900000000, -0.0006289800000000 ] - [ 0.0000362700000000, -0.0004476700000000, -0.0007926100000000 ] - [ -0.0006054700000000, 0.0000832100000000, -0.0009054000000000 ] - [ 0.0020611700000000, 0.0044087500000000, 0.0014437700000000 ] - [ -0.0001805100000000, 0.0003787000000000, -0.0004301400000000 ] - [ 0.0001185100000000, 0.0009056200000000, -0.0003941700000000 ] - [ -0.0001116100000000, 0.0003177500000000, -0.0005775700000000 ] - [ -0.0000340000000000, 0.0007454500000000, -0.0006363900000000 ] - [ -0.0002780100000000, 0.0003103100000000, -0.0006021300000000 ] - [ -0.0011536700000000, -0.0012258100000000, -0.0006881100000000 ] - [ -0.0003691400000000, -0.0000080100000000, -0.0000637800000000 ] - [ -0.0004702300000000, -0.0001048700000000, -0.0002967000000000 ] - [ -0.0003653700000000, -0.0000054400000000, -0.0000517500000000 ] - [ -0.0007792600000000, -0.0003054900000000, 0.0001543700000000 ] - [ -0.0004061800000000, -0.0000253200000000, -0.0000408200000000 ] - [ 0.0011536700000000, -0.0012258100000000, 0.0006881100000000 ] - [ 0.0003691400000000, -0.0000080100000000, 0.0000637800000000 ] - [ 0.0007792600000000, -0.0003054900000000, -0.0001543700000000 ] - [ 0.0004061800000000, -0.0000253200000000, 0.0000408200000000 ] - [ 0.0004702300000000, -0.0001048700000000, 0.0002967000000000 ] - [ 0.0003653700000000, -0.0000054400000000, 0.0000517500000000 ] - [ -0.0020611700000000, 0.0044087500000000, -0.0014437700000000 ] - [ 0.0001805100000000, 0.0003787000000000, 0.0004301400000000 ] - [ 0.0000340000000000, 0.0007454500000000, 0.0006363900000000 ] - [ 0.0002780100000000, 0.0003103100000000, 0.0006021300000000 ] - [ -0.0001185100000000, 0.0009056200000000, 0.0003941700000000 ] - [ 0.0001116100000000, 0.0003177500000000, 0.0005775700000000 ] - [ 0.0000000000000000, 0.0613961600000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0002997500000000, 0.0000000000000000 ] - [ 0.0000942000000000, 0.0027166700000000, -0.0003150200000000 ] - [ 0.0000846000000000, 0.0003172400000000, -0.0000337900000000 ] - [ -0.0000942000000000, 0.0027166700000000, 0.0003150200000000 ] - [ -0.0000846000000000, 0.0003172400000000, 0.0000337900000000 ] - [ 0.0000000000000000, -0.0124039400000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0002797400000000, 0.0000000000000000 ] - [ -0.0002435400000000, -0.0009817100000000, 0.0006800500000000 ] - [ 0.0000955200000000, -0.0002969400000000, -0.0000218300000000 ] - [ 0.0002435400000000, -0.0009817100000000, -0.0006800500000000 ] - [ -0.0000955200000000, -0.0002969400000000, 0.0000218300000000 ] - [ 0.0003362000000000, -0.0006673300000000, 0.0002839300000000 ] - [ -0.0003362000000000, -0.0006673300000000, -0.0002839300000000 ] - [ 0.0002287300000000, -0.0001055100000000, 0.0000872900000000 ] - [ -0.0004419500000000, -0.0004295300000000, 0.0000514000000000 ] - [ 0.0004419500000000, -0.0004295300000000, -0.0000514000000000 ] - [ -0.0002287300000000, -0.0001055100000000, -0.0000872900000000 ] - [ 0.0009529900000000, 0.0003295400000000, 0.0003323700000000 ] - [ -0.0009529900000000, 0.0003295400000000, -0.0003323700000000 ] - [ 0.0003208300000000, 0.0000025500000000, 0.0000788600000000 ] - [ -0.0007981200000000, 0.0001600700000000, -0.0003772300000000 ] - [ 0.0007981200000000, 0.0001600700000000, 0.0003772300000000 ] - [ -0.0003208300000000, 0.0000025500000000, -0.0000788600000000 ] - [ -0.0037600300000000, -0.0106671900000000, 0.0019667900000000 ] - [ 0.0000077400000000, -0.0000987000000000, 0.0004760100000000 ] - [ 0.0004219900000000, -0.0004829600000000, -0.0003840800000000 ] - [ -0.0001747200000000, -0.0002342700000000, 0.0002270500000000 ] - [ 0.0002989800000000, -0.0006071500000000, 0.0017052500000000 ] - [ 0.0001619000000000, -0.0000607800000000, 0.0003874300000000 ] - [ 0.0037600300000000, -0.0106671900000000, -0.0019667900000000 ] - [ -0.0000077400000000, -0.0000987000000000, -0.0004760100000000 ] - [ -0.0002989800000000, -0.0006071500000000, -0.0017052500000000 ] - [ -0.0001619000000000, -0.0000607800000000, -0.0003874300000000 ] - [ -0.0004219900000000, -0.0004829600000000, 0.0003840800000000 ] - [ 0.0001747200000000, -0.0002342700000000, -0.0002270500000000 ] - [ -0.0002908300000000, 0.0029820700000000, 0.0003852500000000 ] - [ 0.0000292100000000, 0.0004872600000000, -0.0000317100000000 ] - [ 0.0002908300000000, 0.0029820700000000, -0.0003852500000000 ] - [ -0.0000292100000000, 0.0004872600000000, 0.0000317100000000 ] - [ 0.0000000000000000, 0.0009717300000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0004928200000000, 0.0000000000000000 ] - [ -0.0015078500000000, -0.0100649200000000, 0.0058856600000000 ] - [ 0.0000218500000000, -0.0004659300000000, -0.0000276300000000 ] - [ 0.0015078500000000, -0.0100649200000000, -0.0058856600000000 ] - [ -0.0000218500000000, -0.0004659300000000, 0.0000276300000000 ] - [ 0.0000000000000000, -0.0005881600000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0004552600000000, 0.0000000000000000 ] - [ 0.0021370000000000, 0.0031379700000000, 0.0007239300000000 ] - [ -0.0002754600000000, 0.0000642300000000, 0.0001963200000000 ] - [ 0.0013011200000000, 0.0022296700000000, 0.0015921700000000 ] - [ -0.0001451200000000, 0.0000317400000000, 0.0002849800000000 ] - [ 0.0004917200000000, 0.0004884400000000, 0.0003628200000000 ] - [ -0.0002208600000000, 0.0000633800000000, 0.0003419300000000 ] - [ -0.0021370000000000, 0.0031379700000000, -0.0007239300000000 ] - [ 0.0002754600000000, 0.0000642300000000, -0.0001963200000000 ] - [ -0.0004917200000000, 0.0004884400000000, -0.0003628200000000 ] - [ 0.0002208600000000, 0.0000633800000000, -0.0003419300000000 ] - [ -0.0013011200000000, 0.0022296700000000, -0.0015921700000000 ] - [ 0.0001451200000000, 0.0000317400000000, -0.0002849800000000 ] - [ 0.0012469400000000, -0.0025568300000000, 0.0011102700000000 ] - [ 0.0000991000000000, -0.0002767300000000, 0.0001632200000000 ] - [ -0.0000991000000000, -0.0002767300000000, -0.0001632200000000 ] - [ -0.0012469400000000, -0.0025568300000000, -0.0011102700000000 ] - [ 0.0000263300000000, -0.0002926000000000, 0.0000789000000000 ] - [ -0.0000263300000000, -0.0002926000000000, -0.0000789000000000 ] - [ 0.0017909500000000, 0.0018542200000000, 0.0013056900000000 ] - [ -0.0001548700000000, 0.0000591600000000, 0.0002302600000000 ] - [ 0.0001548700000000, 0.0000591600000000, -0.0002302600000000 ] - [ -0.0017909500000000, 0.0018542200000000, -0.0013056900000000 ] - [ 0.0000535600000000, 0.0001562500000000, 0.0001435200000000 ] - [ -0.0000535600000000, 0.0001562500000000, -0.0001435200000000 ]- atom: 73 displacement: [ -0.0035913823858773, 0.0000000000000000, 0.0093328437551697 ] forces: - [ -0.0041345300000000, -0.0046796100000000, -0.0014361200000000 ] - [ 0.0001114700000000, -0.0003284600000000, 0.0005108100000000 ] - [ 0.0033530600000000, 0.0030863200000000, 0.0040187300000000 ] - [ 0.0001903200000000, -0.0002318100000000, 0.0006415800000000 ] - [ 0.0000627700000000, -0.0001687400000000, 0.0012547300000000 ] - [ 0.0003090400000000, -0.0001724300000000, 0.0006584700000000 ] - [ -0.0045847300000000, 0.0042325300000000, -0.0026688300000000 ] - [ -0.0003215800000000, -0.0001435600000000, -0.0007109100000000 ] - [ -0.0003649900000000, -0.0003047700000000, 0.0000308800000000 ] - [ -0.0001303700000000, -0.0002914300000000, -0.0005703000000000 ] - [ 0.0029427700000000, -0.0035313900000000, 0.0027599800000000 ] - [ -0.0002428300000000, -0.0002392900000000, -0.0005819800000000 ] - [ -0.0001982500000000, 0.0007457100000000, -0.0006790200000000 ] - [ -0.0003335900000000, 0.0001472900000000, -0.0007037900000000 ] - [ -0.0002097700000000, 0.0003593600000000, -0.0002874100000000 ] - [ -0.0001225300000000, 0.0003081700000000, -0.0005689200000000 ] - [ -0.0001678200000000, -0.0003723000000000, -0.0008327200000000 ] - [ -0.0002400500000000, 0.0002276000000000, -0.0005918400000000 ] - [ -0.0054509000000000, -0.0036432300000000, -0.0000910200000000 ] - [ -0.0004285300000000, -0.0000132000000000, -0.0001209700000000 ] - [ -0.0004655500000000, 0.0001678500000000, 0.0006332100000000 ] - [ -0.0003410000000000, -0.0000069100000000, -0.0001040200000000 ] - [ 0.0016886400000000, 0.0016768800000000, 0.0004949500000000 ] - [ -0.0004922400000000, 0.0000105300000000, 0.0000436400000000 ] - [ -0.0045993900000000, 0.0036266900000000, 0.0000361500000000 ] - [ 0.0004011400000000, 0.0000134500000000, -0.0000081200000000 ] - [ 0.0025436700000000, -0.0016949300000000, 0.0006088000000000 ] - [ 0.0003362000000000, -0.0000096600000000, 0.0001607200000000 ] - [ 0.0003629900000000, -0.0001650700000000, 0.0007478600000000 ] - [ 0.0004882400000000, 0.0000066000000000, 0.0000120300000000 ] - [ 0.0002364700000000, -0.0002738600000000, 0.0005446100000000 ] - [ 0.0001030800000000, 0.0003193100000000, 0.0005221000000000 ] - [ 0.0002644700000000, 0.0008444800000000, 0.0003886200000000 ] - [ 0.0001952800000000, 0.0002385000000000, 0.0006356100000000 ] - [ 0.0002327000000000, 0.0001015700000000, 0.0009430600000000 ] - [ 0.0003016300000000, 0.0001687400000000, 0.0006528000000000 ] - [ -0.0009376000000000, -0.0014212800000000, -0.0002141300000000 ] - [ 0.0000471000000000, -0.0003272800000000, 0.0005433500000000 ] - [ -0.0002187200000000, -0.0005996700000000, 0.0003754800000000 ] - [ 0.0000510600000000, -0.0004214000000000, 0.0004426300000000 ] - [ 0.0012267600000000, 0.0007393600000000, 0.0013811400000000 ] - [ 0.0004600300000000, -0.0000497400000000, 0.0007894000000000 ] - [ -0.0013880300000000, 0.0009725400000000, -0.0014601700000000 ] - [ -0.0003860200000000, -0.0001415300000000, -0.0006818100000000 ] - [ 0.0008095400000000, -0.0012228800000000, 0.0001633400000000 ] - [ 0.0000269000000000, -0.0004213100000000, -0.0004349700000000 ] - [ -0.0006483300000000, 0.0001237400000000, -0.0008413800000000 ] - [ -0.0003806200000000, -0.0000513600000000, -0.0007789200000000 ] - [ -0.0001527400000000, -0.0007762100000000, -0.0020794000000000 ] - [ -0.0005025700000000, -0.0000193400000000, -0.0008440700000000 ] - [ 0.0006185400000000, 0.0008907400000000, 0.0002531500000000 ] - [ 0.0000765600000000, 0.0004653500000000, -0.0004079100000000 ] - [ -0.0008858500000000, 0.0001971800000000, -0.0005637500000000 ] - [ -0.0002690800000000, 0.0002931200000000, -0.0005333200000000 ] - [ 0.0001151500000000, 0.0001738900000000, -0.0009058900000000 ] - [ -0.0004973400000000, 0.0000153300000000, -0.0000001600000000 ] - [ -0.0005046900000000, 0.0001125500000000, 0.0005939100000000 ] - [ -0.0003176600000000, -0.0000029700000000, -0.0000237500000000 ] - [ -0.0008229500000000, -0.0003017800000000, 0.0001032600000000 ] - [ -0.0004424500000000, -0.0000222200000000, -0.0001563500000000 ] - [ 0.0009440200000000, -0.0001778100000000, -0.0007907300000000 ] - [ 0.0003316800000000, -0.0000154300000000, 0.0001121700000000 ] - [ 0.0000049400000000, 0.0003014800000000, 0.0002237300000000 ] - [ 0.0003840800000000, 0.0000227000000000, -0.0000364800000000 ] - [ 0.0003265500000000, -0.0001129200000000, 0.0007095100000000 ] - [ 0.0005143200000000, 0.0000029800000000, 0.0000886400000000 ] - [ 0.0003046400000000, 0.0012372300000000, -0.0008370800000000 ] - [ -0.0000670100000000, 0.0004867900000000, 0.0003823400000000 ] - [ -0.0004600700000000, 0.0002777100000000, 0.0006554900000000 ] - [ 0.0001605600000000, 0.0001803200000000, 0.0006885300000000 ] - [ 0.0010428300000000, -0.0004133000000000, 0.0014724300000000 ] - [ 0.0005138800000000, 0.0000000500000000, 0.0008201900000000 ] - [ 0.0250793000000000, -0.0006068400000000, -0.0507413500000000 ] - [ -0.0001740800000000, 0.0002170100000000, -0.0000302800000000 ] - [ -0.0020429900000000, -0.0000328700000000, 0.0049455600000000 ] - [ 0.0000721600000000, 0.0002156000000000, -0.0000262700000000 ] - [ -0.0020246400000000, 0.0005099700000000, 0.0049335500000000 ] - [ 0.0000570200000000, 0.0002555200000000, 0.0000446800000000 ] - [ 0.0016938300000000, -0.0001947900000000, -0.0030991800000000 ] - [ -0.0001611900000000, -0.0002042600000000, -0.0000236500000000 ] - [ -0.0005342500000000, -0.0010013500000000, 0.0007737800000000 ] - [ 0.0000515000000000, -0.0002285100000000, -0.0000277700000000 ] - [ -0.0005479800000000, 0.0005316600000000, 0.0008499800000000 ] - [ 0.0000465700000000, -0.0002418500000000, 0.0000216100000000 ] - [ -0.0003587800000000, 0.0003682200000000, -0.0001520300000000 ] - [ -0.0003641500000000, 0.0000551900000000, -0.0001505900000000 ] - [ -0.0002295800000000, 0.0002678200000000, 0.0003924000000000 ] - [ 0.0005863500000000, 0.0004877900000000, -0.0002914700000000 ] - [ 0.0005747900000000, -0.0000199100000000, -0.0002304100000000 ] - [ -0.0002384100000000, 0.0001840900000000, 0.0004458900000000 ] - [ -0.0007155700000000, -0.0001781600000000, -0.0005635000000000 ] - [ -0.0007210000000000, -0.0002366900000000, -0.0005578400000000 ] - [ -0.0002861900000000, -0.0002338500000000, 0.0004790300000000 ] - [ 0.0009693700000000, -0.0002049000000000, 0.0000714000000000 ] - [ 0.0009553400000000, -0.0002566900000000, 0.0001375400000000 ] - [ -0.0002989500000000, -0.0002366100000000, 0.0005410500000000 ] - [ -0.0009092900000000, 0.0011226300000000, 0.0079416200000000 ] - [ 0.0004172100000000, -0.0000712500000000, 0.0005126500000000 ] - [ 0.0013565100000000, 0.0005566600000000, -0.0006693800000000 ] - [ 0.0000771900000000, 0.0001391300000000, 0.0004994500000000 ] - [ -0.0014662800000000, -0.0016317800000000, -0.0023070900000000 ] - [ -0.0002107800000000, 0.0000189200000000, 0.0001208700000000 ] - [ -0.0010624900000000, -0.0011160200000000, 0.0072329400000000 ] - [ 0.0002772800000000, 0.0000830100000000, -0.0002236700000000 ] - [ -0.0016238600000000, 0.0016399200000000, -0.0030428000000000 ] - [ -0.0003346900000000, -0.0000105800000000, -0.0005900700000000 ] - [ 0.0012156600000000, -0.0005621700000000, -0.0014050400000000 ] - [ -0.0000489700000000, -0.0001284200000000, -0.0002370500000000 ] - [ -0.0001702400000000, 0.0005590600000000, 0.0003632500000000 ] - [ 0.0001202900000000, 0.0002860000000000, 0.0000345900000000 ] - [ -0.0001722700000000, 0.0000971200000000, 0.0003901800000000 ] - [ 0.0001222200000000, 0.0003864300000000, 0.0000450000000000 ] - [ 0.0002165600000000, 0.0003419500000000, -0.0008325700000000 ] - [ -0.0001584600000000, 0.0003137100000000, -0.0000386900000000 ] - [ -0.0056205900000000, -0.0083055500000000, 0.0153883600000000 ] - [ 0.0001132200000000, -0.0002783700000000, 0.0000339700000000 ] - [ -0.0058931500000000, 0.0083779900000000, 0.0161710400000000 ] - [ 0.0001119900000000, -0.0003792100000000, 0.0000477400000000 ] - [ 0.0008805400000000, -0.0003220100000000, -0.0023968700000000 ] - [ -0.0001524600000000, -0.0003367600000000, -0.0000443900000000 ] - [ 0.0020640200000000, 0.0023243900000000, 0.0024294200000000 ] - [ 0.0004278600000000, -0.0000068700000000, 0.0005525900000000 ] - [ -0.0024504500000000, -0.0024807000000000, -0.0010598100000000 ] - [ 0.0001230400000000, -0.0000275100000000, 0.0001469500000000 ] - [ 0.0004972100000000, 0.0001883400000000, -0.0004096100000000 ] - [ -0.0002862400000000, 0.0000602900000000, 0.0004339200000000 ] - [ 0.0019265500000000, -0.0023211300000000, 0.0016981600000000 ] - [ 0.0002849600000000, 0.0000060300000000, -0.0001879100000000 ] - [ 0.0003737500000000, -0.0001964400000000, -0.0011235500000000 ] - [ -0.0004146900000000, -0.0000536300000000, -0.0002797600000000 ] - [ -0.0025757100000000, 0.0024841900000000, -0.0017923300000000 ] - [ -0.0000034400000000, 0.0000181600000000, -0.0005838500000000 ] - [ -0.0000473200000000, -0.0002989400000000, 0.0009113100000000 ] - [ 0.0008667100000000, 0.0002541800000000, 0.0000304800000000 ] - [ 0.0008713200000000, 0.0004066400000000, 0.0000523700000000 ] - [ -0.0000371000000000, 0.0009633300000000, 0.0009333700000000 ] - [ -0.0007502100000000, 0.0006062700000000, -0.0008212500000000 ] - [ -0.0007601900000000, 0.0000461800000000, -0.0008237200000000 ] - [ 0.0008931900000000, 0.0004218400000000, 0.0009645700000000 ] - [ 0.0005331000000000, -0.0004947500000000, 0.0000709800000000 ] - [ 0.0005328400000000, -0.0001647400000000, 0.0000928100000000 ] - [ 0.0009077100000000, -0.0010972400000000, 0.0009967700000000 ] - [ -0.0009064200000000, -0.0008184400000000, -0.0007580100000000 ] - [ -0.0009167900000000, 0.0001790100000000, -0.0007619000000000 ]- atom: 97 displacement: [ 0.0099998253914003, 0.0000000000000000, 0.0000590943441047 ] forces: - [ -0.0003778800000000, -0.0006178800000000, 0.0002405300000000 ] - [ -0.0006632500000000, -0.0004678300000000, 0.0003447600000000 ] - [ -0.0005377200000000, -0.0004350100000000, 0.0001454500000000 ] - [ -0.0001922500000000, -0.0004362700000000, 0.0004318100000000 ] - [ 0.0003297800000000, -0.0001890100000000, 0.0007089200000000 ] - [ -0.0007810800000000, -0.0008013100000000, -0.0002606200000000 ] - [ 0.0021592500000000, -0.0016910600000000, 0.0006810100000000 ] - [ -0.0009381600000000, 0.0001723700000000, -0.0010081300000000 ] - [ 0.0006448600000000, -0.0007562700000000, -0.0001003200000000 ] - [ -0.0012003500000000, 0.0003976800000000, -0.0012597100000000 ] - [ 0.0017951600000000, -0.0016112900000000, 0.0006564000000000 ] - [ -0.0011009800000000, 0.0003355100000000, -0.0011720600000000 ] - [ 0.0021592500000000, 0.0016910600000000, 0.0006810100000000 ] - [ -0.0009381600000000, -0.0001723700000000, -0.0010081300000000 ] - [ 0.0006448600000000, 0.0007562700000000, -0.0001003200000000 ] - [ -0.0012003500000000, -0.0003976800000000, -0.0012597100000000 ] - [ 0.0017951600000000, 0.0016112900000000, 0.0006564000000000 ] - [ -0.0011009800000000, -0.0003355100000000, -0.0011720600000000 ] - [ 0.1118058700000000, 0.0000000000000000, -0.1761442600000000 ] - [ -0.0007783900000000, 0.0000000000000000, -0.0001754800000000 ] - [ -0.0011955500000000, 0.0000000000000000, 0.0007344200000000 ] - [ -0.0007336000000000, 0.0000000000000000, -0.0004192600000000 ] - [ -0.0002721500000000, 0.0000000000000000, 0.0043610900000000 ] - [ -0.0007517800000000, 0.0000000000000000, -0.0001280400000000 ] - [ 0.0000197900000000, 0.0000000000000000, 0.0010051000000000 ] - [ -0.0006196100000000, 0.0000000000000000, 0.0001199600000000 ] - [ -0.0002373700000000, 0.0000000000000000, -0.0012208400000000 ] - [ 0.0001723600000000, 0.0000000000000000, 0.0003406700000000 ] - [ 0.0004985200000000, 0.0000000000000000, -0.0001243800000000 ] - [ 0.0004959700000000, 0.0000000000000000, -0.0008345000000000 ] - [ -0.0003778800000000, 0.0006178800000000, 0.0002405300000000 ] - [ -0.0006632500000000, 0.0004678300000000, 0.0003447600000000 ] - [ -0.0005377200000000, 0.0004350100000000, 0.0001454500000000 ] - [ -0.0001922500000000, 0.0004362700000000, 0.0004318100000000 ] - [ 0.0003297800000000, 0.0001890100000000, 0.0007089200000000 ] - [ -0.0007810800000000, 0.0008013100000000, -0.0002606200000000 ] - [ 0.0023875000000000, -0.0138882900000000, -0.0136358800000000 ] - [ -0.0006090200000000, -0.0007005200000000, 0.0002472500000000 ] - [ 0.0010711300000000, 0.0002039900000000, 0.0022130000000000 ] - [ -0.0009661800000000, -0.0010420200000000, -0.0001781600000000 ] - [ 0.0023556900000000, 0.0014034800000000, 0.0017573100000000 ] - [ -0.0006519400000000, -0.0008323900000000, 0.0000270700000000 ] - [ -0.0026980700000000, 0.0024530300000000, -0.0026556600000000 ] - [ -0.0007936200000000, -0.0003076200000000, -0.0000746300000000 ] - [ -0.0010169300000000, 0.0004838700000000, -0.0012401700000000 ] - [ 0.0000900400000000, -0.0003931500000000, -0.0006890600000000 ] - [ -0.0009010900000000, 0.0001866100000000, -0.0006999200000000 ] - [ -0.0032555200000000, 0.0027269400000000, -0.0028838300000000 ] - [ -0.0026980700000000, -0.0024530300000000, -0.0026556600000000 ] - [ -0.0007936200000000, 0.0003076200000000, -0.0000746300000000 ] - [ -0.0010169300000000, -0.0004838700000000, -0.0012401700000000 ] - [ 0.0000900400000000, 0.0003931500000000, -0.0006890600000000 ] - [ -0.0009010900000000, -0.0001866100000000, -0.0006999200000000 ] - [ -0.0032555200000000, -0.0027269400000000, -0.0028838300000000 ] - [ -0.0004872400000000, 0.0000000000000000, -0.0002400800000000 ] - [ -0.0005067400000000, 0.0000000000000000, 0.0000773600000000 ] - [ -0.0004479100000000, 0.0000000000000000, -0.0002706900000000 ] - [ -0.0002914100000000, 0.0000000000000000, -0.0004138200000000 ] - [ -0.0006325900000000, 0.0000000000000000, 0.0001048000000000 ] - [ -0.0011870700000000, 0.0000000000000000, -0.0001421000000000 ] - [ 0.0015283900000000, 0.0000000000000000, 0.0004138900000000 ] - [ 0.0001148900000000, 0.0000000000000000, 0.0000431400000000 ] - [ 0.0009033100000000, 0.0000000000000000, 0.0003316000000000 ] - [ 0.0000883200000000, 0.0000000000000000, -0.0001052600000000 ] - [ 0.0006250700000000, 0.0000000000000000, 0.0003308900000000 ] - [ 0.0001450800000000, 0.0000000000000000, -0.0001449800000000 ] - [ 0.0023875000000000, 0.0138882900000000, -0.0136358800000000 ] - [ -0.0006090200000000, 0.0007005200000000, 0.0002472500000000 ] - [ 0.0010711300000000, -0.0002039900000000, 0.0022130000000000 ] - [ -0.0009661800000000, 0.0010420200000000, -0.0001781600000000 ] - [ 0.0023556900000000, -0.0014034800000000, 0.0017573100000000 ] - [ -0.0006519400000000, 0.0008323900000000, 0.0000270700000000 ] - [ 0.0115139900000000, 0.0041139300000000, 0.0033230100000000 ] - [ -0.0010644200000000, 0.0002651100000000, -0.0000973100000000 ] - [ 0.0014013200000000, 0.0000006300000000, -0.0011335800000000 ] - [ -0.0006744100000000, 0.0001354200000000, -0.0005579400000000 ] - [ -0.0002530300000000, -0.0001490400000000, 0.0013450000000000 ] - [ -0.0016006000000000, 0.0004516900000000, -0.0005360800000000 ] - [ 0.0115139900000000, -0.0041139300000000, 0.0033230100000000 ] - [ -0.0010644200000000, -0.0002651100000000, -0.0000973100000000 ] - [ 0.0014013200000000, -0.0000006300000000, -0.0011335800000000 ] - [ -0.0006744100000000, -0.0001354200000000, -0.0005579400000000 ] - [ -0.0002530300000000, 0.0001490400000000, 0.0013450000000000 ] - [ -0.0016006000000000, -0.0004516900000000, -0.0005360800000000 ] - [ 0.0000452200000000, -0.0018795000000000, 0.0021126800000000 ] - [ -0.0009525400000000, 0.0005521600000000, -0.0000483000000000 ] - [ 0.0003545900000000, -0.0001979600000000, 0.0005935400000000 ] - [ -0.0006204700000000, 0.0005240700000000, -0.0006173100000000 ] - [ 0.0023724200000000, -0.0010445700000000, -0.0017244600000000 ] - [ -0.0006179400000000, 0.0004200000000000, -0.0001098200000000 ] - [ 0.0000452200000000, 0.0018795000000000, 0.0021126800000000 ] - [ -0.0009525400000000, -0.0005521600000000, -0.0000483000000000 ] - [ 0.0003545900000000, 0.0001979600000000, 0.0005935400000000 ] - [ -0.0006204700000000, -0.0005240700000000, -0.0006173100000000 ] - [ 0.0023724200000000, 0.0010445700000000, -0.0017244600000000 ] - [ -0.0006179400000000, -0.0004200000000000, -0.0001098200000000 ] - [ -0.1794912600000000, 0.0000000000000000, 0.1641007900000000 ] - [ 0.0016021600000000, 0.0000000000000000, 0.0008973400000000 ] - [ -0.0012473200000000, 0.0000000000000000, -0.0023747100000000 ] - [ 0.0018195300000000, 0.0000000000000000, 0.0015629200000000 ] - [ -0.0012203400000000, 0.0000000000000000, -0.0052404500000000 ] - [ 0.0018241400000000, 0.0000000000000000, 0.0012863400000000 ] - [ 0.0118621600000000, 0.0000000000000000, 0.0030911600000000 ] - [ 0.0014131700000000, 0.0000000000000000, -0.0007615600000000 ] - [ 0.0005969000000000, 0.0000000000000000, 0.0015377900000000 ] - [ -0.0000069300000000, 0.0000000000000000, -0.0000620700000000 ] - [ 0.0008215300000000, 0.0000000000000000, -0.0009802900000000 ] - [ 0.0038199100000000, 0.0000000000000000, 0.0024354300000000 ] - [ 0.0000665000000000, -0.0024603500000000, -0.0017516100000000 ] - [ 0.0016521500000000, 0.0005941400000000, 0.0005148300000000 ] - [ -0.0013458400000000, -0.0028542600000000, 0.0011336000000000 ] - [ 0.0010400100000000, 0.0004746400000000, 0.0003931000000000 ] - [ -0.0008116100000000, -0.0000220100000000, -0.0005432400000000 ] - [ 0.0016000400000000, 0.0004181200000000, 0.0012358800000000 ] - [ 0.0000665000000000, 0.0024603500000000, -0.0017516100000000 ] - [ 0.0016521500000000, -0.0005941400000000, 0.0005148300000000 ] - [ -0.0013458400000000, 0.0028542600000000, 0.0011336000000000 ] - [ 0.0010400100000000, -0.0004746400000000, 0.0003931000000000 ] - [ -0.0008116100000000, 0.0000220100000000, -0.0005432400000000 ] - [ 0.0016000400000000, -0.0004181200000000, 0.0012358800000000 ] - [ 0.0011437100000000, 0.0000000000000000, 0.0007722800000000 ] - [ 0.0011520400000000, 0.0000000000000000, 0.0000197800000000 ] - [ 0.0010315300000000, 0.0000000000000000, 0.0012502900000000 ] - [ 0.0003172500000000, 0.0000000000000000, 0.0004447600000000 ] - [ 0.0003216200000000, 0.0000000000000000, 0.0003036000000000 ] - [ 0.0010421800000000, 0.0000000000000000, 0.0024408900000000 ] - [ -0.0036193000000000, 0.0000000000000000, -0.0028665600000000 ] - [ 0.0012476300000000, 0.0000000000000000, 0.0001065400000000 ] - [ -0.0014740400000000, 0.0000000000000000, -0.0012804600000000 ] - [ 0.0014721000000000, 0.0000000000000000, 0.0007108700000000 ] - [ -0.0033182800000000, 0.0000000000000000, -0.0015294300000000 ] - [ 0.0013340100000000, 0.0000000000000000, 0.0003541700000000 ] - [ 0.0149156500000000, -0.0207634200000000, 0.0174726100000000 ] - [ 0.0013092100000000, 0.0004149400000000, 0.0001859600000000 ] - [ 0.0002116000000000, -0.0000539500000000, -0.0022770900000000 ] - [ 0.0027740400000000, 0.0017845600000000, 0.0018833700000000 ] - [ -0.0020967700000000, 0.0011693000000000, -0.0001632000000000 ] - [ 0.0012814300000000, 0.0004626300000000, 0.0009116700000000 ] - [ 0.0149156500000000, 0.0207634200000000, 0.0174726100000000 ] - [ 0.0013092100000000, -0.0004149400000000, 0.0001859600000000 ] - [ 0.0002116000000000, 0.0000539500000000, -0.0022770900000000 ] - [ 0.0027740400000000, -0.0017845600000000, 0.0018833700000000 ] - [ -0.0020967700000000, -0.0011693000000000, -0.0001632000000000 ] - [ 0.0012814300000000, -0.0004626300000000, 0.0009116700000000 ]- atom: 97 displacement: [ -0.0099998253914003, 0.0000000000000000, -0.0000590943441047 ] forces: - [ 0.0008100400000000, 0.0001471800000000, 0.0009815200000000 ] - [ 0.0010962900000000, -0.0000027900000000, 0.0008780600000000 ] - [ 0.0009864200000000, -0.0000268900000000, 0.0010878100000000 ] - [ 0.0006236200000000, -0.0000339500000000, 0.0007944600000000 ] - [ 0.0001059900000000, -0.0002783700000000, 0.0005183200000000 ] - [ 0.0012185800000000, 0.0003349700000000, 0.0014879900000000 ] - [ -0.0025984200000000, 0.0012345200000000, -0.0019050900000000 ] - [ 0.0005033800000000, -0.0006415600000000, -0.0002167000000000 ] - [ -0.0010790700000000, 0.0002874100000000, -0.0011252100000000 ] - [ 0.0007655600000000, -0.0008654200000000, 0.0000314800000000 ] - [ -0.0022266300000000, 0.0011397500000000, -0.0018817400000000 ] - [ 0.0006662300000000, -0.0008049800000000, -0.0000520800000000 ] - [ -0.0025984200000000, -0.0012345200000000, -0.0019050900000000 ] - [ 0.0005033800000000, 0.0006415600000000, -0.0002167000000000 ] - [ -0.0010790700000000, -0.0002874100000000, -0.0011252100000000 ] - [ 0.0007655600000000, 0.0008654200000000, 0.0000314800000000 ] - [ -0.0022266300000000, -0.0011397500000000, -0.0018817400000000 ] - [ 0.0006662300000000, 0.0008049800000000, -0.0000520800000000 ] - [ -0.1112743500000000, 0.0000000000000000, 0.1809777400000000 ] - [ -0.0000390100000000, 0.0000000000000000, 0.0000357800000000 ] - [ 0.0003688500000000, 0.0000000000000000, -0.0008619200000000 ] - [ -0.0000853900000000, 0.0000000000000000, 0.0002741200000000 ] - [ -0.0005558800000000, 0.0000000000000000, -0.0043713300000000 ] - [ -0.0000648500000000, 0.0000000000000000, -0.0000138200000000 ] - [ 0.0007946800000000, 0.0000000000000000, -0.0008597400000000 ] - [ 0.0014380200000000, 0.0000000000000000, 0.0000276700000000 ] - [ 0.0010609500000000, 0.0000000000000000, 0.0013602400000000 ] - [ 0.0006465000000000, 0.0000000000000000, -0.0001964400000000 ] - [ 0.0003213200000000, 0.0000000000000000, 0.0002624100000000 ] - [ 0.0003210700000000, 0.0000000000000000, 0.0009711000000000 ] - [ 0.0008100400000000, -0.0001471800000000, 0.0009815200000000 ] - [ 0.0010962900000000, 0.0000027900000000, 0.0008780600000000 ] - [ 0.0009864200000000, 0.0000268900000000, 0.0010878100000000 ] - [ 0.0006236200000000, 0.0000339500000000, 0.0007944600000000 ] - [ 0.0001059900000000, 0.0002783700000000, 0.0005183200000000 ] - [ 0.0012185800000000, -0.0003349700000000, 0.0014879900000000 ] - [ -0.0023225100000000, 0.0132375000000000, 0.0149020400000000 ] - [ 0.0010434300000000, 0.0002312200000000, 0.0009773700000000 ] - [ -0.0006456800000000, -0.0006751700000000, -0.0010004600000000 ] - [ 0.0013987600000000, 0.0005733400000000, 0.0014046000000000 ] - [ -0.0019088600000000, -0.0018610300000000, -0.0005244700000000 ] - [ 0.0010882000000000, 0.0003648600000000, 0.0011995100000000 ] - [ 0.0022576900000000, -0.0029099500000000, 0.0014227600000000 ] - [ 0.0003615100000000, -0.0001558000000000, -0.0011553900000000 ] - [ 0.0005857900000000, -0.0009540200000000, 0.0000148300000000 ] - [ -0.0005228900000000, -0.0000759200000000, -0.0005378500000000 ] - [ 0.0004642400000000, -0.0006545100000000, -0.0005242800000000 ] - [ 0.0028186300000000, -0.0031820500000000, 0.0016654300000000 ] - [ 0.0022576900000000, 0.0029099500000000, 0.0014227600000000 ] - [ 0.0003615100000000, 0.0001558000000000, -0.0011553900000000 ] - [ 0.0005857900000000, 0.0009540200000000, 0.0000148300000000 ] - [ -0.0005228900000000, 0.0000759200000000, -0.0005378500000000 ] - [ 0.0004642400000000, 0.0006545100000000, -0.0005242800000000 ] - [ 0.0028186300000000, 0.0031820500000000, 0.0016654300000000 ] - [ -0.0003268600000000, 0.0000000000000000, 0.0000989400000000 ] - [ -0.0003106800000000, 0.0000000000000000, -0.0002162900000000 ] - [ -0.0003720500000000, 0.0000000000000000, 0.0001295500000000 ] - [ -0.0005265000000000, 0.0000000000000000, 0.0002674900000000 ] - [ -0.0001818800000000, 0.0000000000000000, -0.0002489100000000 ] - [ 0.0003719500000000, 0.0000000000000000, -0.0000010600000000 ] - [ -0.0007142200000000, 0.0000000000000000, -0.0002749100000000 ] - [ 0.0006990500000000, 0.0000000000000000, 0.0001017200000000 ] - [ -0.0000848400000000, 0.0000000000000000, -0.0001867300000000 ] - [ 0.0007320800000000, 0.0000000000000000, 0.0002483100000000 ] - [ 0.0001918400000000, 0.0000000000000000, -0.0001913100000000 ] - [ 0.0006718600000000, 0.0000000000000000, 0.0002847400000000 ] - [ -0.0023225100000000, -0.0132375000000000, 0.0149020400000000 ] - [ 0.0010434300000000, -0.0002312200000000, 0.0009773700000000 ] - [ -0.0006456800000000, 0.0006751700000000, -0.0010004600000000 ] - [ 0.0013987600000000, -0.0005733400000000, 0.0014046000000000 ] - [ -0.0019088600000000, 0.0018610300000000, -0.0005244700000000 ] - [ 0.0010882000000000, -0.0003648600000000, 0.0011995100000000 ] - [ -0.0109238100000000, -0.0031126700000000, -0.0033006200000000 ] - [ 0.0010881800000000, 0.0001630700000000, -0.0000235200000000 ] - [ -0.0014011000000000, 0.0004930800000000, 0.0011456600000000 ] - [ 0.0006761100000000, 0.0003406100000000, 0.0005550900000000 ] - [ 0.0002202800000000, 0.0005801500000000, -0.0012192900000000 ] - [ 0.0015776200000000, -0.0000219000000000, 0.0006578200000000 ] - [ -0.0109238100000000, 0.0031126700000000, -0.0033006200000000 ] - [ 0.0010881800000000, -0.0001630700000000, -0.0000235200000000 ] - [ -0.0014011000000000, -0.0004930800000000, 0.0011456600000000 ] - [ 0.0006761100000000, -0.0003406100000000, 0.0005550900000000 ] - [ 0.0002202800000000, -0.0005801500000000, -0.0012192900000000 ] - [ 0.0015776200000000, 0.0000219000000000, 0.0006578200000000 ] - [ -0.0000318100000000, 0.0022961200000000, -0.0022324400000000 ] - [ 0.0009726600000000, -0.0001150100000000, -0.0000731700000000 ] - [ -0.0003557200000000, 0.0006680200000000, -0.0005936800000000 ] - [ 0.0006226700000000, -0.0000309600000000, 0.0006171800000000 ] - [ -0.0023955500000000, 0.0014635100000000, 0.0018406000000000 ] - [ 0.0005960900000000, 0.0000148500000000, 0.0002320800000000 ] - [ -0.0000318100000000, -0.0022961200000000, -0.0022324400000000 ] - [ 0.0009726600000000, 0.0001150100000000, -0.0000731700000000 ] - [ -0.0003557200000000, -0.0006680200000000, -0.0005936800000000 ] - [ 0.0006226700000000, 0.0000309600000000, 0.0006171800000000 ] - [ -0.0023955500000000, -0.0014635100000000, 0.0018406000000000 ] - [ 0.0005960900000000, -0.0000148500000000, 0.0002320800000000 ] - [ 0.1777922700000000, 0.0000000000000000, -0.1682363600000000 ] - [ -0.0014719500000000, 0.0000000000000000, -0.0001028300000000 ] - [ 0.0014035900000000, 0.0000000000000000, 0.0030917500000000 ] - [ -0.0016880100000000, 0.0000000000000000, -0.0008199800000000 ] - [ 0.0013991100000000, 0.0000000000000000, 0.0058712300000000 ] - [ -0.0016876300000000, 0.0000000000000000, -0.0005305000000000 ] - [ -0.0118902900000000, 0.0000000000000000, -0.0038063500000000 ] - [ -0.0015581800000000, 0.0000000000000000, 0.0000082300000000 ] - [ -0.0007250300000000, 0.0000000000000000, -0.0022858100000000 ] - [ -0.0001257500000000, 0.0000000000000000, -0.0006809700000000 ] - [ -0.0009383500000000, 0.0000000000000000, 0.0001794200000000 ] - [ -0.0039437900000000, 0.0000000000000000, -0.0032222100000000 ] - [ -0.0000653800000000, 0.0031187200000000, 0.0017553900000000 ] - [ -0.0016508700000000, 0.0000805300000000, -0.0005144100000000 ] - [ 0.0013164200000000, 0.0035437100000000, -0.0011198400000000 ] - [ -0.0010424400000000, 0.0001848300000000, -0.0003575700000000 ] - [ 0.0008156800000000, 0.0006840400000000, 0.0005053700000000 ] - [ -0.0015974300000000, 0.0002497200000000, -0.0012709500000000 ] - [ -0.0000653800000000, -0.0031187200000000, 0.0017553900000000 ] - [ -0.0016508700000000, -0.0000805300000000, -0.0005144100000000 ] - [ 0.0013164200000000, -0.0035437100000000, -0.0011198400000000 ] - [ -0.0010424400000000, -0.0001848300000000, -0.0003575700000000 ] - [ 0.0008156800000000, -0.0006840400000000, 0.0005053700000000 ] - [ -0.0015974300000000, -0.0002497200000000, -0.0012709500000000 ] - [ -0.0010114000000000, 0.0000000000000000, 0.0000252400000000 ] - [ -0.0010142600000000, 0.0000000000000000, 0.0007762700000000 ] - [ -0.0009228300000000, 0.0000000000000000, -0.0005140100000000 ] - [ -0.0001870500000000, 0.0000000000000000, 0.0002949500000000 ] - [ -0.0001794600000000, 0.0000000000000000, 0.0004483000000000 ] - [ -0.0009023700000000, 0.0000000000000000, -0.0016890700000000 ] - [ 0.0034801100000000, 0.0000000000000000, 0.0021141400000000 ] - [ -0.0013892800000000, 0.0000000000000000, -0.0008627300000000 ] - [ 0.0013531400000000, 0.0000000000000000, 0.0005322000000000 ] - [ -0.0015966300000000, 0.0000000000000000, -0.0014538700000000 ] - [ 0.0031875400000000, 0.0000000000000000, 0.0007339600000000 ] - [ -0.0014677500000000, 0.0000000000000000, -0.0011493100000000 ] - [ -0.0149294500000000, 0.0216915100000000, -0.0176842900000000 ] - [ -0.0013086400000000, 0.0002607400000000, -0.0001868600000000 ] - [ -0.0002123000000000, 0.0007242900000000, 0.0023215000000000 ] - [ -0.0027716400000000, -0.0011098600000000, -0.0018432700000000 ] - [ 0.0020924300000000, -0.0004963600000000, 0.0001243400000000 ] - [ -0.0012810200000000, 0.0001989200000000, -0.0009476000000000 ] - [ -0.0149294500000000, -0.0216915100000000, -0.0176842900000000 ] - [ -0.0013086400000000, -0.0002607400000000, -0.0001868600000000 ] - [ -0.0002123000000000, -0.0007242900000000, 0.0023215000000000 ] - [ -0.0027716400000000, 0.0011098600000000, -0.0018432700000000 ] - [ 0.0020924300000000, 0.0004963600000000, 0.0001243400000000 ] - [ -0.0012810200000000, -0.0001989200000000, -0.0009476000000000 ]- atom: 97 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0008632400000000, -0.0013826200000000, -0.0003201200000000 ] - [ 0.0003821100000000, -0.0006394300000000, 0.0003909500000000 ] - [ -0.0023321900000000, -0.0018844600000000, -0.0006128200000000 ] - [ 0.0002130300000000, -0.0003276600000000, 0.0005792500000000 ] - [ -0.0000228000000000, -0.0004887800000000, 0.0005030700000000 ] - [ 0.0001321600000000, -0.0005818400000000, 0.0006688800000000 ] - [ 0.0011882100000000, -0.0034206500000000, -0.0004382000000000 ] - [ -0.0001707600000000, -0.0002903500000000, -0.0005832000000000 ] - [ 0.0000318200000000, -0.0005440500000000, -0.0005735200000000 ] - [ -0.0001222600000000, -0.0003388100000000, -0.0005629400000000 ] - [ 0.0002429200000000, -0.0017548400000000, 0.0004785600000000 ] - [ -0.0000753000000000, -0.0004230700000000, -0.0004501200000000 ] - [ -0.0016119300000000, -0.0029275500000000, -0.0007898000000000 ] - [ -0.0002487800000000, 0.0001922800000000, -0.0006338800000000 ] - [ -0.0004500800000000, -0.0000620500000000, -0.0006459400000000 ] - [ -0.0002942800000000, 0.0001446500000000, -0.0006551500000000 ] - [ -0.0006636700000000, -0.0012711300000000, -0.0016931600000000 ] - [ -0.0003432500000000, 0.0000599400000000, -0.0007664000000000 ] - [ 0.0006172100000000, 0.0132903400000000, -0.0020468300000000 ] - [ -0.0004070900000000, 0.0000113600000000, -0.0000704800000000 ] - [ -0.0004139000000000, -0.0006203800000000, -0.0000643200000000 ] - [ -0.0004095500000000, 0.0000113000000000, -0.0000705700000000 ] - [ -0.0004252600000000, 0.0009981400000000, -0.0000034600000000 ] - [ -0.0004051500000000, 0.0000299300000000, -0.0000746800000000 ] - [ 0.0004034000000000, 0.0002294800000000, 0.0000650200000000 ] - [ 0.0004048100000000, 0.0008211300000000, 0.0000720600000000 ] - [ 0.0004106600000000, 0.0005140800000000, 0.0000767200000000 ] - [ 0.0004092300000000, 0.0001438400000000, 0.0000709800000000 ] - [ 0.0004059400000000, 0.0000152600000000, 0.0000742200000000 ] - [ 0.0004087300000000, 0.0004503900000000, 0.0000699100000000 ] - [ 0.0012823700000000, -0.0009007200000000, 0.0015391000000000 ] - [ 0.0000371400000000, -0.0001552000000000, 0.0008241900000000 ] - [ 0.0027436000000000, -0.0014009400000000, 0.0018339600000000 ] - [ 0.0002062600000000, 0.0001521000000000, 0.0006424600000000 ] - [ 0.0004425100000000, -0.0000083800000000, 0.0007149100000000 ] - [ 0.0002890100000000, -0.0000995100000000, 0.0005496800000000 ] - [ -0.0153650000000000, -0.0043676500000000, -0.0159305100000000 ] - [ 0.0002348500000000, -0.0001941300000000, 0.0006413400000000 ] - [ 0.0001415100000000, 0.0007450000000000, 0.0018692600000000 ] - [ 0.0002614500000000, -0.0001725900000000, 0.0006681600000000 ] - [ 0.0008060000000000, 0.0003529900000000, 0.0005582300000000 ] - [ 0.0002329200000000, -0.0002047100000000, 0.0006220200000000 ] - [ -0.0001494900000000, 0.0000132800000000, -0.0007246100000000 ] - [ -0.0011684300000000, 0.0007009000000000, -0.0008701700000000 ] - [ -0.0002363400000000, -0.0001350600000000, -0.0006053600000000 ] - [ -0.0005947500000000, 0.0002341800000000, -0.0009456700000000 ] - [ -0.0001853700000000, -0.0001608900000000, -0.0006469300000000 ] - [ -0.0041519000000000, 0.0075951000000000, -0.0032358100000000 ] - [ -0.0002643600000000, 0.0005061100000000, -0.0004855200000000 ] - [ 0.0007447400000000, 0.0011818600000000, -0.0003477400000000 ] - [ -0.0001789400000000, 0.0003499400000000, -0.0006124400000000 ] - [ 0.0001779400000000, 0.0007186900000000, -0.0002707200000000 ] - [ -0.0002317800000000, 0.0003241400000000, -0.0005689200000000 ] - [ 0.0037060200000000, 0.0080957800000000, 0.0019901600000000 ] - [ -0.0004092700000000, -0.0003528800000000, -0.0000685200000000 ] - [ -0.0004089600000000, 0.0000294300000000, -0.0000676800000000 ] - [ -0.0004083900000000, -0.0001487000000000, -0.0000742100000000 ] - [ -0.0004107900000000, -0.0000835100000000, -0.0000690400000000 ] - [ -0.0004058200000000, -0.0001806400000000, -0.0000734100000000 ] - [ -0.0004043600000000, -0.0012892500000000, -0.0000745100000000 ] - [ 0.0004058600000000, -0.0018875000000000, 0.0000735800000000 ] - [ 0.0004065100000000, -0.0000290700000000, 0.0000717600000000 ] - [ 0.0004087200000000, -0.0004731100000000, 0.0000730800000000 ] - [ 0.0004078000000000, -0.0000149300000000, 0.0000745500000000 ] - [ 0.0004073000000000, 0.0000154200000000, 0.0000699500000000 ] - [ 0.0004087100000000, -0.0000169900000000, 0.0000683000000000 ] - [ 0.0156698200000000, -0.0036376400000000, 0.0171342600000000 ] - [ 0.0001868100000000, 0.0002866400000000, 0.0005761000000000 ] - [ 0.0002741400000000, 0.0012343200000000, -0.0006528800000000 ] - [ 0.0001580500000000, 0.0003090000000000, 0.0005524200000000 ] - [ -0.0003789000000000, 0.0008257300000000, 0.0006657100000000 ] - [ 0.0001872200000000, 0.0002768800000000, 0.0005957100000000 ] - [ 0.0041611700000000, 0.0108797200000000, 0.0026954100000000 ] - [ 0.0001367100000000, 0.0003135500000000, -0.0000908800000000 ] - [ -0.0000357600000000, 0.0008536000000000, -0.0017611500000000 ] - [ 0.0000441800000000, 0.0003007400000000, 0.0000362400000000 ] - [ -0.0003120700000000, 0.0006966000000000, 0.0005460600000000 ] - [ 0.0004003400000000, 0.0004503700000000, 0.0003619100000000 ] - [ -0.0036445200000000, 0.0100951500000000, -0.0027081300000000 ] - [ -0.0001142300000000, -0.0001157200000000, -0.0000286600000000 ] - [ 0.0000346200000000, 0.0003566600000000, 0.0017626300000000 ] - [ -0.0000421400000000, -0.0001815700000000, -0.0000362100000000 ] - [ 0.0002848900000000, 0.0002674900000000, -0.0004253500000000 ] - [ -0.0004211300000000, 0.0000150800000000, -0.0002399700000000 ] - [ -0.0017530300000000, -0.0029229600000000, 0.0017476700000000 ] - [ 0.0001084100000000, 0.0001574800000000, -0.0000277900000000 ] - [ -0.0000856700000000, -0.0002420100000000, 0.0001702500000000 ] - [ 0.0001108100000000, 0.0001712500000000, 0.0001002800000000 ] - [ 0.0008961300000000, -0.0020132800000000, -0.0022445100000000 ] - [ 0.0000092500000000, 0.0001854500000000, 0.0000549800000000 ] - [ 0.0017863900000000, -0.0033544300000000, -0.0018688800000000 ] - [ -0.0000853400000000, -0.0002740100000000, -0.0000932200000000 ] - [ 0.0000864400000000, -0.0007328900000000, -0.0001671500000000 ] - [ -0.0001113400000000, -0.0003131000000000, -0.0001009200000000 ] - [ -0.0009207300000000, -0.0024423100000000, 0.0023618800000000 ] - [ -0.0000327800000000, -0.0002452600000000, 0.0000645800000000 ] - [ -0.0010082000000000, -0.0650285500000000, 0.0024892100000000 ] - [ 0.0000486400000000, -0.0000868400000000, 0.0003887800000000 ] - [ 0.0000572400000000, -0.0015710400000000, 0.0003478700000000 ] - [ 0.0000537700000000, -0.0000985600000000, 0.0003605800000000 ] - [ 0.0000795200000000, -0.0015689600000000, 0.0003160300000000 ] - [ 0.0000545100000000, -0.0001025500000000, 0.0003713000000000 ] - [ -0.0000976200000000, -0.0025767500000000, -0.0003621600000000 ] - [ -0.0000530000000000, -0.0013927700000000, -0.0003677900000000 ] - [ -0.0000488600000000, -0.0008676600000000, -0.0003687100000000 ] - [ -0.0000569100000000, -0.0005781600000000, -0.0003639300000000 ] - [ -0.0000478000000000, -0.0003072300000000, -0.0003928500000000 ] - [ -0.0000562200000000, -0.0070299200000000, -0.0003872500000000 ] - [ -0.0021743300000000, 0.0025304300000000, 0.0011344900000000 ] - [ 0.0003161000000000, 0.0006022600000000, -0.0000295800000000 ] - [ -0.0030374400000000, 0.0055259300000000, -0.0037636700000000 ] - [ 0.0000416400000000, 0.0003679900000000, 0.0000062400000000 ] - [ 0.0000474300000000, 0.0005186800000000, -0.0001633700000000 ] - [ -0.0000326400000000, 0.0005270300000000, 0.0000144300000000 ] - [ 0.0021755500000000, 0.0019042000000000, -0.0011358700000000 ] - [ -0.0003171300000000, -0.0000177500000000, 0.0000279500000000 ] - [ 0.0030730900000000, 0.0049305500000000, 0.0038284500000000 ] - [ -0.0000480600000000, -0.0002437400000000, 0.0000338000000000 ] - [ -0.0000455600000000, -0.0000975100000000, 0.0001331800000000 ] - [ 0.0000345900000000, -0.0000906300000000, -0.0000556000000000 ] - [ 0.0000538100000000, 0.0015055900000000, 0.0003872300000000 ] - [ 0.0000532800000000, 0.0015099200000000, 0.0003870800000000 ] - [ 0.0000565500000000, 0.0027070300000000, 0.0003678900000000 ] - [ 0.0000513700000000, 0.0003506500000000, 0.0003566900000000 ] - [ 0.0000576700000000, 0.0003504300000000, 0.0003689000000000 ] - [ 0.0000595200000000, 0.0026985300000000, 0.0003703800000000 ] - [ -0.0000625000000000, 0.0056269400000000, -0.0003670800000000 ] - [ -0.0000584700000000, 0.0000822900000000, -0.0003689300000000 ] - [ -0.0000489000000000, 0.0007889100000000, -0.0003640100000000 ] - [ -0.0000516400000000, 0.0001137400000000, -0.0003666800000000 ] - [ -0.0000524400000000, 0.0023706800000000, -0.0003917200000000 ] - [ -0.0000526100000000, 0.0002118000000000, -0.0003859300000000 ] - [ -0.0269260700000000, 0.0149213900000000, -0.0202993500000000 ] - [ 0.0000463300000000, 0.0002517700000000, -0.0000069300000000 ] - [ -0.0014493400000000, -0.0002415500000000, 0.0014647400000000 ] - [ 0.0000189800000000, 0.0001064700000000, -0.0000443800000000 ] - [ 0.0003937300000000, -0.0000954400000000, -0.0008576700000000 ] - [ -0.0000184600000000, 0.0002367100000000, -0.0000220600000000 ] - [ 0.0266136100000000, 0.0141765500000000, 0.0200689300000000 ] - [ -0.0000513100000000, -0.0003728900000000, 0.0000091100000000 ] - [ 0.0014473700000000, -0.0008493000000000, -0.0014315500000000 ] - [ -0.0000283300000000, -0.0005024300000000, 0.0000735100000000 ] - [ -0.0003965700000000, -0.0007165400000000, 0.0008195900000000 ] - [ 0.0000203500000000, -0.0003732500000000, -0.0000166500000000 ]- atom: 97 displacement: [ -0.0035913823858773, 0.0000000000000000, 0.0093328437551697 ] forces: - [ 0.0009174100000000, 0.0001000500000000, 0.0015331200000000 ] - [ 0.0001450000000000, -0.0001679700000000, 0.0007352800000000 ] - [ -0.0010991200000000, -0.0005780500000000, -0.0000918900000000 ] - [ 0.0002363100000000, -0.0002739300000000, 0.0005509300000000 ] - [ 0.0001419700000000, -0.0003100200000000, 0.0004029400000000 ] - [ -0.0000782300000000, -0.0003960200000000, 0.0003742500000000 ] - [ 0.0004335100000000, -0.0013414200000000, -0.0000079000000000 ] - [ -0.0002362200000000, -0.0002389600000000, -0.0005980500000000 ] - [ -0.0001276300000000, -0.0002502300000000, -0.0009318900000000 ] - [ -0.0004550200000000, -0.0000682600000000, -0.0007657300000000 ] - [ -0.0002516400000000, 0.0002202700000000, -0.0007107100000000 ] - [ -0.0003199800000000, -0.0001518500000000, -0.0007035500000000 ] - [ 0.0004335100000000, 0.0013414200000000, -0.0000079000000000 ] - [ -0.0002362200000000, 0.0002389600000000, -0.0005980500000000 ] - [ -0.0001276300000000, 0.0002502300000000, -0.0009318900000000 ] - [ -0.0004550200000000, 0.0000682600000000, -0.0007657300000000 ] - [ -0.0002516400000000, -0.0002202700000000, -0.0007107100000000 ] - [ -0.0003199800000000, 0.0001518500000000, -0.0007035500000000 ] - [ -0.2201949200000000, 0.0000000000000000, 0.4048605500000000 ] - [ -0.0004228500000000, 0.0000000000000000, -0.0000796000000000 ] - [ 0.0007268600000000, 0.0000000000000000, -0.0018332000000000 ] - [ -0.0005194200000000, 0.0000000000000000, -0.0000912900000000 ] - [ 0.0005877900000000, 0.0000000000000000, -0.0049106100000000 ] - [ -0.0004079000000000, 0.0000000000000000, -0.0001015200000000 ] - [ 0.0016994200000000, 0.0000000000000000, 0.0003712900000000 ] - [ 0.0003631300000000, 0.0000000000000000, 0.0005456400000000 ] - [ -0.0006124700000000, 0.0000000000000000, 0.0000197100000000 ] - [ 0.0006118200000000, 0.0000000000000000, -0.0000854900000000 ] - [ 0.0004074300000000, 0.0000000000000000, -0.0003399200000000 ] - [ 0.0002599700000000, 0.0000000000000000, -0.0002467700000000 ] - [ 0.0009174100000000, -0.0001000500000000, 0.0015331200000000 ] - [ 0.0001450000000000, 0.0001679700000000, 0.0007352800000000 ] - [ -0.0010991200000000, 0.0005780500000000, -0.0000918900000000 ] - [ 0.0002363100000000, 0.0002739300000000, 0.0005509300000000 ] - [ 0.0001419700000000, 0.0003100200000000, 0.0004029400000000 ] - [ -0.0000782300000000, 0.0003960200000000, 0.0003742500000000 ] - [ -0.0076892700000000, -0.0025152900000000, 0.0132607700000000 ] - [ 0.0002368300000000, -0.0002005700000000, 0.0006375700000000 ] - [ 0.0023214400000000, 0.0012847300000000, 0.0006613300000000 ] - [ 0.0001314900000000, -0.0002967600000000, 0.0005648400000000 ] - [ -0.0011466900000000, -0.0018024600000000, -0.0010100600000000 ] - [ -0.0000658300000000, -0.0004365900000000, 0.0004217200000000 ] - [ -0.0001411800000000, -0.0005824800000000, -0.0003681600000000 ] - [ 0.0006813500000000, -0.0007299700000000, -0.0001130800000000 ] - [ -0.0008257600000000, 0.0003489800000000, -0.0011205300000000 ] - [ -0.0005102400000000, 0.0000949000000000, -0.0010840300000000 ] - [ -0.0000379900000000, -0.0003578000000000, -0.0005392200000000 ] - [ -0.0010340300000000, 0.0006700500000000, -0.0010883600000000 ] - [ -0.0001411800000000, 0.0005824800000000, -0.0003681600000000 ] - [ 0.0006813500000000, 0.0007299700000000, -0.0001130800000000 ] - [ -0.0008257600000000, -0.0003489800000000, -0.0011205300000000 ] - [ -0.0005102400000000, -0.0000949000000000, -0.0010840300000000 ] - [ -0.0000379900000000, 0.0003578000000000, -0.0005392200000000 ] - [ -0.0010340300000000, -0.0006700500000000, -0.0010883600000000 ] - [ -0.0006801100000000, 0.0000000000000000, 0.0002566000000000 ] - [ -0.0002313600000000, 0.0000000000000000, -0.0000522700000000 ] - [ -0.0003751500000000, 0.0000000000000000, -0.0003936300000000 ] - [ -0.0004709300000000, 0.0000000000000000, -0.0002280000000000 ] - [ -0.0002692700000000, 0.0000000000000000, -0.0001413900000000 ] - [ -0.0006313000000000, 0.0000000000000000, 0.0000066900000000 ] - [ 0.0004228200000000, 0.0000000000000000, 0.0006148000000000 ] - [ 0.0003990600000000, 0.0000000000000000, 0.0000488800000000 ] - [ 0.0005141700000000, 0.0000000000000000, 0.0000499900000000 ] - [ 0.0004002900000000, 0.0000000000000000, 0.0000674600000000 ] - [ 0.0005714000000000, 0.0000000000000000, -0.0002888500000000 ] - [ 0.0003024800000000, 0.0000000000000000, 0.0000342100000000 ] - [ -0.0076892700000000, 0.0025152900000000, 0.0132607700000000 ] - [ 0.0002368300000000, 0.0002005700000000, 0.0006375700000000 ] - [ 0.0023214400000000, -0.0012847300000000, 0.0006613300000000 ] - [ 0.0001314900000000, 0.0002967600000000, 0.0005648400000000 ] - [ -0.0011466900000000, 0.0018024600000000, -0.0010100600000000 ] - [ -0.0000658300000000, 0.0004365900000000, 0.0004217200000000 ] - [ -0.0058559500000000, -0.0026433100000000, 0.0056921300000000 ] - [ 0.0001531700000000, 0.0001084600000000, -0.0000073600000000 ] - [ -0.0005245500000000, -0.0009389100000000, -0.0022976300000000 ] - [ -0.0001132700000000, 0.0002567800000000, -0.0001774100000000 ] - [ 0.0015642500000000, 0.0010531600000000, -0.0008525800000000 ] - [ -0.0004598600000000, 0.0002712300000000, 0.0000286100000000 ] - [ -0.0058559500000000, 0.0026433100000000, 0.0056921300000000 ] - [ 0.0001531700000000, -0.0001084600000000, -0.0000073600000000 ] - [ -0.0005245500000000, 0.0009389100000000, -0.0022976300000000 ] - [ -0.0001132700000000, -0.0002567800000000, -0.0001774100000000 ] - [ 0.0015642500000000, -0.0010531600000000, -0.0008525800000000 ] - [ -0.0004598600000000, -0.0002712300000000, 0.0000286100000000 ] - [ 0.0006026000000000, 0.0006335800000000, 0.0014622800000000 ] - [ 0.0000916600000000, 0.0002632500000000, 0.0000030800000000 ] - [ 0.0005222700000000, 0.0003952200000000, -0.0007361100000000 ] - [ -0.0004735300000000, 0.0001689000000000, 0.0000276900000000 ] - [ -0.0001438200000000, -0.0004787800000000, -0.0004471000000000 ] - [ -0.0000197200000000, 0.0002236900000000, -0.0001701900000000 ] - [ 0.0006026000000000, -0.0006335800000000, 0.0014622800000000 ] - [ 0.0000916600000000, -0.0002632500000000, 0.0000030800000000 ] - [ 0.0005222700000000, -0.0003952200000000, -0.0007361100000000 ] - [ -0.0004735300000000, -0.0001689000000000, 0.0000276900000000 ] - [ -0.0001438200000000, 0.0004787800000000, -0.0004471000000000 ] - [ -0.0000197200000000, -0.0002236900000000, -0.0001701900000000 ] - [ 0.2304173800000000, 0.0000000000000000, -0.4392340800000000 ] - [ -0.0000186800000000, 0.0000000000000000, 0.0003770300000000 ] - [ -0.0046979900000000, 0.0000000000000000, 0.0076317200000000 ] - [ 0.0002824300000000, 0.0000000000000000, 0.0004913400000000 ] - [ -0.0020159800000000, 0.0000000000000000, 0.0085539800000000 ] - [ 0.0005520700000000, 0.0000000000000000, 0.0005997600000000 ] - [ -0.0011127500000000, 0.0000000000000000, -0.0039432200000000 ] - [ -0.0009657500000000, 0.0000000000000000, -0.0010885900000000 ] - [ 0.0014880200000000, 0.0000000000000000, 0.0012417800000000 ] - [ 0.0001933400000000, 0.0000000000000000, 0.0002530500000000 ] - [ -0.0009144000000000, 0.0000000000000000, -0.0000995500000000 ] - [ 0.0011857300000000, 0.0000000000000000, 0.0001969100000000 ] - [ -0.0016832400000000, 0.0020841700000000, -0.0010278100000000 ] - [ 0.0001955200000000, 0.0004111100000000, -0.0000823800000000 ] - [ 0.0021697500000000, -0.0027329900000000, 0.0010255200000000 ] - [ -0.0000297200000000, 0.0003014000000000, 0.0000929100000000 ] - [ -0.0002684100000000, 0.0002100400000000, 0.0009904100000000 ] - [ 0.0004417300000000, 0.0003555400000000, 0.0002833000000000 ] - [ -0.0016832400000000, -0.0020841700000000, -0.0010278100000000 ] - [ 0.0001955200000000, -0.0004111100000000, -0.0000823800000000 ] - [ 0.0021697500000000, 0.0027329900000000, 0.0010255200000000 ] - [ -0.0000297200000000, -0.0003014000000000, 0.0000929100000000 ] - [ -0.0002684100000000, -0.0002100400000000, 0.0009904100000000 ] - [ 0.0004417300000000, -0.0003555400000000, 0.0002833000000000 ] - [ -0.0006674200000000, 0.0000000000000000, -0.0004932100000000 ] - [ 0.0000318000000000, 0.0000000000000000, -0.0002291300000000 ] - [ 0.0016430200000000, 0.0000000000000000, 0.0012619900000000 ] - [ -0.0000994900000000, 0.0000000000000000, 0.0007205200000000 ] - [ 0.0000519200000000, 0.0000000000000000, 0.0007849500000000 ] - [ 0.0005411400000000, 0.0000000000000000, 0.0008423000000000 ] - [ -0.0011209800000000, 0.0000000000000000, -0.0017801300000000 ] - [ -0.0000915900000000, 0.0000000000000000, -0.0003866800000000 ] - [ -0.0004046000000000, 0.0000000000000000, 0.0002061200000000 ] - [ 0.0003992200000000, 0.0000000000000000, -0.0002147700000000 ] - [ 0.0000423900000000, 0.0000000000000000, -0.0002054500000000 ] - [ 0.0001326600000000, 0.0000000000000000, -0.0002072400000000 ] - [ 0.0098288900000000, -0.0063064500000000, -0.0022553100000000 ] - [ -0.0001659600000000, 0.0002724200000000, -0.0000115900000000 ] - [ -0.0023460500000000, 0.0014143600000000, -0.0001890400000000 ] - [ 0.0000615800000000, 0.0000741900000000, -0.0002123500000000 ] - [ 0.0009035900000000, -0.0005671400000000, 0.0016687200000000 ] - [ 0.0006714000000000, 0.0005762300000000, 0.0005012800000000 ] - [ 0.0098288900000000, 0.0063064500000000, -0.0022553100000000 ] - [ -0.0001659600000000, -0.0002724200000000, -0.0000115900000000 ] - [ -0.0023460500000000, -0.0014143600000000, -0.0001890400000000 ] - [ 0.0000615800000000, -0.0000741900000000, -0.0002123500000000 ] - [ 0.0009035900000000, 0.0005671400000000, 0.0016687200000000 ] - [ 0.0006714000000000, -0.0005762300000000, 0.0005012800000000 ]- atom: 97 displacement: [ 0.0035913823858773, 0.0000000000000000, -0.0093328437551697 ] forces: - [ -0.0004836200000000, -0.0005680100000000, -0.0003092900000000 ] - [ 0.0002854700000000, -0.0003025500000000, 0.0004888900000000 ] - [ 0.0015285200000000, 0.0001122200000000, 0.0013165700000000 ] - [ 0.0001948500000000, -0.0001969000000000, 0.0006754100000000 ] - [ 0.0002907200000000, -0.0001595800000000, 0.0008209200000000 ] - [ 0.0005087800000000, -0.0000744500000000, 0.0008474400000000 ] - [ -0.0008636400000000, 0.0008636200000000, -0.0012091600000000 ] - [ -0.0001985600000000, -0.0002303100000000, -0.0006265000000000 ] - [ -0.0003030000000000, -0.0002211400000000, -0.0002946500000000 ] - [ 0.0000170600000000, -0.0003971000000000, -0.0004640600000000 ] - [ -0.0001774800000000, -0.0006932900000000, -0.0005115000000000 ] - [ -0.0001169500000000, -0.0003161900000000, -0.0005219900000000 ] - [ -0.0008636400000000, -0.0008636200000000, -0.0012091600000000 ] - [ -0.0001985600000000, 0.0002303100000000, -0.0006265000000000 ] - [ -0.0003030000000000, 0.0002211400000000, -0.0002946500000000 ] - [ 0.0000170600000000, 0.0003971000000000, -0.0004640600000000 ] - [ -0.0001774800000000, 0.0006932900000000, -0.0005115000000000 ] - [ -0.0001169500000000, 0.0003161900000000, -0.0005219900000000 ] - [ 0.2029435400000000, 0.0000000000000000, -0.3764826900000000 ] - [ -0.0003946300000000, 0.0000000000000000, -0.0000583800000000 ] - [ -0.0015683400000000, 0.0000000000000000, 0.0017150400000000 ] - [ -0.0003015600000000, 0.0000000000000000, -0.0000526200000000 ] - [ -0.0014311800000000, 0.0000000000000000, 0.0048115800000000 ] - [ -0.0004092500000000, 0.0000000000000000, -0.0000400300000000 ] - [ -0.0008874200000000, 0.0000000000000000, -0.0002296600000000 ] - [ 0.0004489100000000, 0.0000000000000000, -0.0003971900000000 ] - [ 0.0014206200000000, 0.0000000000000000, 0.0001220800000000 ] - [ 0.0002083800000000, 0.0000000000000000, 0.0002298400000000 ] - [ 0.0004115800000000, 0.0000000000000000, 0.0004733800000000 ] - [ 0.0005596100000000, 0.0000000000000000, 0.0003780700000000 ] - [ -0.0004836200000000, 0.0005680100000000, -0.0003092900000000 ] - [ 0.0002854700000000, 0.0003025500000000, 0.0004888900000000 ] - [ 0.0015285200000000, -0.0001122200000000, 0.0013165700000000 ] - [ 0.0001948500000000, 0.0001969000000000, 0.0006754100000000 ] - [ 0.0002907200000000, 0.0001595800000000, 0.0008209200000000 ] - [ 0.0005087800000000, 0.0000744500000000, 0.0008474400000000 ] - [ 0.0079403500000000, 0.0018808800000000, -0.0121410100000000 ] - [ 0.0001958100000000, -0.0002704100000000, 0.0005856200000000 ] - [ -0.0018688400000000, -0.0017433700000000, 0.0005612400000000 ] - [ 0.0003002200000000, -0.0001727000000000, 0.0006619300000000 ] - [ 0.0015989300000000, 0.0013488600000000, 0.0022432700000000 ] - [ 0.0004964900000000, -0.0000346700000000, 0.0008018400000000 ] - [ -0.0002916700000000, 0.0001093200000000, -0.0008522600000000 ] - [ -0.0011091400000000, 0.0002591600000000, -0.0011073000000000 ] - [ 0.0003854300000000, -0.0008112200000000, -0.0001111300000000 ] - [ 0.0000808700000000, -0.0005651300000000, -0.0001431600000000 ] - [ -0.0003993800000000, -0.0001094100000000, -0.0006875600000000 ] - [ 0.0005839500000000, -0.0011090900000000, -0.0001454500000000 ] - [ -0.0002916700000000, -0.0001093200000000, -0.0008522600000000 ] - [ -0.0011091400000000, -0.0002591600000000, -0.0011073000000000 ] - [ 0.0003854300000000, 0.0008112200000000, -0.0001111300000000 ] - [ 0.0000808700000000, 0.0005651300000000, -0.0001431600000000 ] - [ -0.0003993800000000, 0.0001094100000000, -0.0006875600000000 ] - [ 0.0005839500000000, 0.0011090900000000, -0.0001454500000000 ] - [ -0.0001383400000000, 0.0000000000000000, -0.0003929900000000 ] - [ -0.0005843100000000, 0.0000000000000000, -0.0000847300000000 ] - [ -0.0004459600000000, 0.0000000000000000, 0.0002505700000000 ] - [ -0.0003464300000000, 0.0000000000000000, 0.0000799700000000 ] - [ -0.0005458300000000, 0.0000000000000000, -0.0000017100000000 ] - [ -0.0001899300000000, 0.0000000000000000, -0.0001472000000000 ] - [ 0.0003954400000000, 0.0000000000000000, -0.0004693000000000 ] - [ 0.0004141100000000, 0.0000000000000000, 0.0000950700000000 ] - [ 0.0003076800000000, 0.0000000000000000, 0.0000943400000000 ] - [ 0.0004200100000000, 0.0000000000000000, 0.0000745900000000 ] - [ 0.0002471700000000, 0.0000000000000000, 0.0004253100000000 ] - [ 0.0005133600000000, 0.0000000000000000, 0.0001038100000000 ] - [ 0.0079403500000000, -0.0018808800000000, -0.0121410100000000 ] - [ 0.0001958100000000, 0.0002704100000000, 0.0005856200000000 ] - [ -0.0018688400000000, 0.0017433700000000, 0.0005612400000000 ] - [ 0.0003002200000000, 0.0001727000000000, 0.0006619300000000 ] - [ 0.0015989300000000, -0.0013488600000000, 0.0022432700000000 ] - [ 0.0004964900000000, 0.0000346700000000, 0.0008018400000000 ] - [ 0.0057631700000000, 0.0029920500000000, -0.0057489300000000 ] - [ -0.0001319400000000, 0.0003231900000000, -0.0001131300000000 ] - [ 0.0005196600000000, 0.0013959300000000, 0.0022671200000000 ] - [ 0.0001147300000000, 0.0002186100000000, 0.0001721000000000 ] - [ -0.0015916600000000, -0.0006456200000000, 0.0009700400000000 ] - [ 0.0004285600000000, 0.0001598700000000, 0.0000923500000000 ] - [ 0.0057631700000000, -0.0029920500000000, -0.0057489300000000 ] - [ -0.0001319400000000, -0.0003231900000000, -0.0001131300000000 ] - [ 0.0005196600000000, -0.0013959300000000, 0.0022671200000000 ] - [ 0.0001147300000000, -0.0002186100000000, 0.0001721000000000 ] - [ -0.0015916600000000, 0.0006456200000000, 0.0009700400000000 ] - [ 0.0004285600000000, -0.0001598700000000, 0.0000923500000000 ] - [ -0.0005772900000000, -0.0002227600000000, -0.0015589500000000 ] - [ -0.0000701300000000, 0.0001589300000000, -0.0001253600000000 ] - [ -0.0005186700000000, 0.0000819400000000, 0.0007351900000000 ] - [ 0.0004679800000000, 0.0003126000000000, -0.0000260400000000 ] - [ 0.0001357400000000, 0.0008911400000000, 0.0005535300000000 ] - [ -0.0000045400000000, 0.0002028100000000, 0.0002904300000000 ] - [ -0.0005772900000000, 0.0002227600000000, -0.0015589500000000 ] - [ -0.0000701300000000, -0.0001589300000000, -0.0001253600000000 ] - [ -0.0005186700000000, -0.0000819400000000, 0.0007351900000000 ] - [ 0.0004679800000000, -0.0003126000000000, -0.0000260400000000 ] - [ 0.0001357400000000, -0.0008911400000000, 0.0005535300000000 ] - [ -0.0000045400000000, -0.0002028100000000, 0.0002904300000000 ] - [ -0.2135553500000000, 0.0000000000000000, 0.4114136100000000 ] - [ 0.0001500400000000, 0.0000000000000000, 0.0004170300000000 ] - [ 0.0048164200000000, 0.0000000000000000, -0.0068803600000000 ] - [ -0.0001501200000000, 0.0000000000000000, 0.0002516300000000 ] - [ 0.0022262900000000, 0.0000000000000000, -0.0079830100000000 ] - [ -0.0004081000000000, 0.0000000000000000, 0.0001569400000000 ] - [ 0.0009320700000000, 0.0000000000000000, 0.0031833900000000 ] - [ 0.0008199600000000, 0.0000000000000000, 0.0003287600000000 ] - [ -0.0015898400000000, 0.0000000000000000, -0.0019655900000000 ] - [ -0.0003277300000000, 0.0000000000000000, -0.0009915200000000 ] - [ 0.0007996900000000, 0.0000000000000000, -0.0006891100000000 ] - [ -0.0012874200000000, 0.0000000000000000, -0.0009681900000000 ] - [ 0.0016834400000000, -0.0014232700000000, 0.0010331200000000 ] - [ -0.0001894200000000, 0.0002619700000000, 0.0000842500000000 ] - [ -0.0021556600000000, 0.0033652200000000, -0.0009912800000000 ] - [ 0.0000276900000000, 0.0003559000000000, -0.0000566800000000 ] - [ 0.0002712700000000, 0.0004466000000000, -0.0010183800000000 ] - [ -0.0004308300000000, 0.0003085000000000, -0.0003127500000000 ] - [ 0.0016834400000000, 0.0014232700000000, 0.0010331200000000 ] - [ -0.0001894200000000, -0.0002619700000000, 0.0000842500000000 ] - [ -0.0021556600000000, -0.0033652200000000, -0.0009912800000000 ] - [ 0.0000276900000000, -0.0003559000000000, -0.0000566800000000 ] - [ 0.0002712700000000, -0.0004466000000000, -0.0010183800000000 ] - [ -0.0004308300000000, -0.0003085000000000, -0.0003127500000000 ] - [ 0.0008010200000000, 0.0000000000000000, 0.0012866600000000 ] - [ 0.0001048900000000, 0.0000000000000000, 0.0010150300000000 ] - [ -0.0015096300000000, 0.0000000000000000, -0.0005135800000000 ] - [ 0.0002232200000000, 0.0000000000000000, 0.0000188900000000 ] - [ 0.0000920400000000, 0.0000000000000000, -0.0000279800000000 ] - [ -0.0003951000000000, 0.0000000000000000, -0.0000766200000000 ] - [ 0.0009617800000000, 0.0000000000000000, 0.0010107200000000 ] - [ -0.0000479200000000, 0.0000000000000000, -0.0003654900000000 ] - [ 0.0002764700000000, 0.0000000000000000, -0.0009494500000000 ] - [ -0.0005142200000000, 0.0000000000000000, -0.0005233100000000 ] - [ -0.0001805200000000, 0.0000000000000000, -0.0005879500000000 ] - [ -0.0002578000000000, 0.0000000000000000, -0.0005819800000000 ] - [ -0.0097029600000000, 0.0068642500000000, 0.0023929800000000 ] - [ 0.0001685700000000, 0.0004006400000000, 0.0000157600000000 ] - [ 0.0023244400000000, -0.0007452900000000, 0.0002162500000000 ] - [ -0.0000640700000000, 0.0005857000000000, 0.0002437600000000 ] - [ -0.0009178100000000, 0.0012393000000000, -0.0017010000000000 ] - [ -0.0006591400000000, 0.0000861900000000, -0.0005302900000000 ] - [ -0.0097029600000000, -0.0068642500000000, 0.0023929800000000 ] - [ 0.0001685700000000, -0.0004006400000000, 0.0000157600000000 ] - [ 0.0023244400000000, 0.0007452900000000, 0.0002162500000000 ] - [ -0.0000640700000000, -0.0005857000000000, 0.0002437600000000 ] - [ -0.0009178100000000, -0.0012393000000000, -0.0017010000000000 ] - [ -0.0006591400000000, -0.0000861900000000, -0.0005302900000000 ]- atom: 109 displacement: [ 0.0099998253914003, 0.0000000000000000, 0.0000590943441047 ] forces: - [ 0.0064777700000000, 0.0052223800000000, 0.0046199100000000 ] - [ -0.0005544900000000, -0.0007169400000000, 0.0002345300000000 ] - [ 0.0016485600000000, 0.0005030700000000, 0.0009938700000000 ] - [ -0.0006748900000000, -0.0008687300000000, 0.0000073700000000 ] - [ 0.0018685600000000, 0.0011620100000000, 0.0018478300000000 ] - [ -0.0009399000000000, -0.0011172100000000, -0.0001718700000000 ] - [ 0.0014345200000000, -0.0016311300000000, 0.0006215400000000 ] - [ -0.0013584800000000, 0.0006349600000000, -0.0013888700000000 ] - [ 0.0012276400000000, -0.0009817500000000, -0.0002292100000000 ] - [ -0.0010947300000000, 0.0003893200000000, -0.0012137100000000 ] - [ 0.0060744500000000, -0.0057202800000000, 0.0034181400000000 ] - [ -0.0009756700000000, 0.0002365400000000, -0.0009836700000000 ] - [ 0.0001010400000000, 0.0004690800000000, 0.0014314900000000 ] - [ -0.0013509900000000, -0.0006253200000000, -0.0013991700000000 ] - [ 0.0019763600000000, 0.0016776900000000, 0.0001706400000000 ] - [ -0.0011041700000000, -0.0003954400000000, -0.0012132100000000 ] - [ 0.1312876700000000, 0.0985809100000000, 0.0660660100000000 ] - [ -0.0009976100000000, -0.0002192700000000, -0.0009804500000000 ] - [ -0.0002918300000000, -0.0003052900000000, 0.0003363300000000 ] - [ -0.0006805100000000, -0.0000048700000000, -0.0002768000000000 ] - [ 0.0000654800000000, -0.0000907000000000, -0.0003232300000000 ] - [ -0.0006169400000000, -0.0000024100000000, -0.0002738800000000 ] - [ -0.0008260200000000, 0.0017338500000000, 0.0000450400000000 ] - [ -0.0007394900000000, -0.0000365400000000, -0.0000382200000000 ] - [ 0.0000051000000000, -0.0017525900000000, 0.0001680500000000 ] - [ 0.0000774000000000, 0.0000358300000000, 0.0000994100000000 ] - [ 0.0008893800000000, 0.0000911400000000, -0.0001907900000000 ] - [ 0.0002098800000000, 0.0000023900000000, -0.0001473900000000 ] - [ 0.0005243900000000, 0.0003091200000000, 0.0004758600000000 ] - [ 0.0001414200000000, 0.0000044200000000, -0.0001482800000000 ] - [ 0.1359280800000000, -0.1050223500000000, 0.0723076700000000 ] - [ -0.0005751700000000, 0.0007005100000000, 0.0002379100000000 ] - [ 0.0023925900000000, -0.0011939000000000, 0.0013940600000000 ] - [ -0.0006808700000000, 0.0008732000000000, 0.0000098000000000 ] - [ 0.0005242500000000, 0.0000105900000000, 0.0026699500000000 ] - [ -0.0009277900000000, 0.0011078900000000, -0.0001817000000000 ] - [ -0.0007960200000000, 0.0007621600000000, 0.0010851700000000 ] - [ -0.0009396600000000, -0.0012124900000000, -0.0003584900000000 ] - [ 0.0004184600000000, -0.0000376200000000, 0.0008581700000000 ] - [ -0.0007988100000000, -0.0008668200000000, -0.0000022200000000 ] - [ 0.0001496200000000, 0.0001840400000000, -0.0000776900000000 ] - [ -0.0002668800000000, -0.0005232100000000, 0.0003762400000000 ] - [ -0.0002777200000000, -0.0006657600000000, -0.0013083700000000 ] - [ -0.0006917400000000, 0.0000464100000000, -0.0008457000000000 ] - [ -0.0000062000000000, -0.0004392600000000, -0.0003631000000000 ] - [ -0.0012206300000000, 0.0003860800000000, -0.0012240600000000 ] - [ -0.0012306600000000, -0.0012643800000000, -0.0001226500000000 ] - [ -0.0013580600000000, 0.0007252800000000, -0.0015695400000000 ] - [ -0.0005415300000000, 0.0002397700000000, -0.0010121100000000 ] - [ -0.0006368500000000, 0.0000082300000000, -0.0008373200000000 ] - [ -0.0000043000000000, 0.0003918100000000, -0.0004284000000000 ] - [ -0.0012753200000000, -0.0003471100000000, -0.0012796300000000 ] - [ -0.0004681300000000, 0.0000241500000000, -0.0007382600000000 ] - [ -0.0009612000000000, -0.0001614400000000, -0.0010348600000000 ] - [ 0.0024555800000000, -0.0013755500000000, -0.0012434400000000 ] - [ -0.0005858200000000, 0.0000025300000000, -0.0001921500000000 ] - [ -0.0004371800000000, 0.0000407500000000, 0.0005777100000000 ] - [ -0.0008646100000000, 0.0000190100000000, -0.0004932900000000 ] - [ -0.0014640300000000, 0.0014689200000000, 0.0013391900000000 ] - [ -0.0007908300000000, -0.0000374200000000, -0.0000177800000000 ] - [ -0.0006344200000000, -0.0014418900000000, 0.0014839100000000 ] - [ 0.0000257900000000, 0.0000389400000000, 0.0001158700000000 ] - [ 0.0003859800000000, -0.0000410900000000, 0.0007102800000000 ] - [ -0.0000370600000000, -0.0000179300000000, -0.0003620300000000 ] - [ 0.0033021200000000, 0.0013834500000000, -0.0011498300000000 ] - [ 0.0002378900000000, -0.0000020300000000, -0.0000686100000000 ] - [ -0.0000426400000000, 0.0004520800000000, 0.0004832800000000 ] - [ -0.0005342200000000, 0.0006354600000000, 0.0001870600000000 ] - [ 0.0004169900000000, 0.0000862500000000, 0.0007929800000000 ] - [ -0.0008493100000000, 0.0008252800000000, -0.0000570600000000 ] - [ -0.0001103600000000, 0.0002317800000000, 0.0002118100000000 ] - [ -0.0002153600000000, 0.0004711700000000, 0.0003824400000000 ] - [ 0.0021712700000000, 0.0005007000000000, 0.0005962500000000 ] - [ -0.0008720100000000, 0.0001896500000000, -0.0002671100000000 ] - [ 0.0008151000000000, 0.0002412000000000, 0.0005412700000000 ] - [ -0.0008718500000000, 0.0002446600000000, -0.0005072900000000 ] - [ 0.0021579400000000, -0.0000696000000000, 0.0007132900000000 ] - [ -0.0008944600000000, 0.0002453600000000, -0.0001468500000000 ] - [ 0.0092232000000000, -0.0017817300000000, -0.0026077800000000 ] - [ -0.0009038800000000, -0.0001921700000000, -0.0002957300000000 ] - [ 0.0005871200000000, -0.0002500000000000, 0.0011497800000000 ] - [ -0.0008647500000000, -0.0002444000000000, -0.0005019100000000 ] - [ 0.0091521400000000, 0.0012923400000000, -0.0024504200000000 ] - [ -0.0009276600000000, -0.0002357600000000, -0.0001702300000000 ] - [ -0.0010760300000000, 0.0001156200000000, 0.0004537700000000 ] - [ -0.0032099200000000, -0.0010085100000000, -0.0013418000000000 ] - [ -0.0000397400000000, 0.0002781300000000, -0.0008313500000000 ] - [ -0.0000405900000000, 0.0002217100000000, -0.0008295100000000 ] - [ -0.0032291700000000, 0.0014932400000000, -0.0012042700000000 ] - [ -0.0011061100000000, 0.0003244300000000, 0.0005763700000000 ] - [ -0.0007296300000000, -0.0003738500000000, 0.0002261900000000 ] - [ -0.0027685800000000, 0.0015686100000000, -0.0001657100000000 ] - [ -0.0000607300000000, -0.0003084100000000, -0.0010105300000000 ] - [ -0.0000625500000000, -0.0001931500000000, -0.0010050300000000 ] - [ -0.0028183200000000, -0.0020401000000000, -0.0000457900000000 ] - [ -0.0007525100000000, -0.0000690500000000, 0.0003429500000000 ] - [ 0.0001243300000000, -0.0021531800000000, -0.0013792300000000 ] - [ 0.0017062200000000, 0.0003218400000000, 0.0012251100000000 ] - [ -0.0007585300000000, 0.0000503600000000, -0.0002335400000000 ] - [ 0.0016604000000000, -0.0000359100000000, 0.0014398200000000 ] - [ -0.0012593100000000, -0.0030612800000000, 0.0021683600000000 ] - [ 0.0011017800000000, 0.0000428500000000, 0.0007367500000000 ] - [ -0.0014119900000000, 0.0030933100000000, 0.0014552300000000 ] - [ 0.0009796100000000, -0.0000405500000000, 0.0000024800000000 ] - [ -0.0008657600000000, -0.0000399000000000, -0.0009544600000000 ] - [ 0.0015363900000000, 0.0000307800000000, 0.0007239700000000 ] - [ 0.0000125800000000, 0.0021816300000000, -0.0021822300000000 ] - [ 0.0015882500000000, -0.0003153700000000, 0.0004506600000000 ] - [ -0.3163989000000000, 0.0073183600000000, -0.1647911900000000 ] - [ 0.0013781400000000, 0.0003143400000000, 0.0004507000000000 ] - [ -0.0021671000000000, 0.0004643500000000, -0.0044436800000000 ] - [ 0.0016304300000000, 0.0004875800000000, 0.0010225700000000 ] - [ -0.0021876700000000, 0.0001560000000000, -0.0044725200000000 ] - [ 0.0016391600000000, 0.0001419700000000, 0.0009768400000000 ] - [ -0.0084670100000000, -0.0003093100000000, -0.0048570900000000 ] - [ 0.0013325200000000, -0.0003140400000000, 0.0004572400000000 ] - [ -0.0025362300000000, -0.0000201200000000, -0.0010976000000000 ] - [ 0.0016328600000000, -0.0004942400000000, 0.0010100200000000 ] - [ -0.0025415100000000, -0.0006183300000000, -0.0011345100000000 ] - [ 0.0016384200000000, -0.0001217400000000, 0.0009744100000000 ] - [ 0.0149587700000000, -0.0269266200000000, 0.0166022900000000 ] - [ 0.0013649600000000, 0.0000548300000000, 0.0007084000000000 ] - [ -0.0020345300000000, 0.0003914500000000, 0.0005358300000000 ] - [ 0.0013379700000000, -0.0000184000000000, 0.0015638500000000 ] - [ 0.0002876300000000, -0.0014487600000000, -0.0020616000000000 ] - [ 0.0028465700000000, 0.0000176000000000, 0.0015081500000000 ] - [ 0.0001431400000000, 0.0014360000000000, -0.0027811700000000 ] - [ 0.0027025900000000, -0.0000243600000000, 0.0007705400000000 ] - [ -0.0021544300000000, -0.0003886400000000, -0.0001798100000000 ] - [ 0.0012202200000000, 0.0000195300000000, 0.0008435700000000 ] - [ 0.0149030200000000, 0.0268471700000000, 0.0157897100000000 ] - [ 0.0012448100000000, -0.0000506100000000, -0.0000587800000000 ] - [ 0.0012629500000000, 0.0008099500000000, 0.0000255900000000 ] - [ 0.0012568200000000, -0.0001630300000000, 0.0000353300000000 ] - [ 0.0002646400000000, 0.0006044200000000, 0.0000526700000000 ] - [ 0.0014159100000000, -0.0007412200000000, 0.0015619700000000 ] - [ 0.0014191100000000, 0.0013774300000000, 0.0015355700000000 ] - [ 0.0002711900000000, 0.0000131700000000, 0.0000150900000000 ] - [ 0.0023351200000000, -0.0016531200000000, 0.0001811300000000 ] - [ 0.0023568200000000, 0.0010316900000000, 0.0001797200000000 ] - [ 0.0003548200000000, -0.0006552100000000, -0.0000622500000000 ] - [ 0.0009089200000000, 0.0006829300000000, 0.0013953200000000 ] - [ 0.0009113200000000, -0.0013157300000000, 0.0013561400000000 ] - [ 0.0003584500000000, 0.0000214400000000, -0.0000964100000000 ]- atom: 109 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0019088100000000, -0.0036490000000000, -0.0010000600000000 ] - [ 0.0001942000000000, -0.0002863400000000, 0.0006182200000000 ] - [ -0.0001496300000000, -0.0004314300000000, 0.0008260000000000 ] - [ 0.0001878600000000, -0.0003217400000000, 0.0005775700000000 ] - [ 0.0002136700000000, -0.0004961800000000, 0.0002742900000000 ] - [ -0.0000691100000000, -0.0005891700000000, 0.0003792700000000 ] - [ -0.0002136700000000, -0.0004961800000000, -0.0002742900000000 ] - [ 0.0000691100000000, -0.0005891700000000, -0.0003792700000000 ] - [ 0.0001496300000000, -0.0004314300000000, -0.0008260000000000 ] - [ -0.0001878600000000, -0.0003217400000000, -0.0005775700000000 ] - [ 0.0019088100000000, -0.0036490000000000, 0.0010000600000000 ] - [ -0.0001942000000000, -0.0002863400000000, -0.0006182200000000 ] - [ 0.0003320500000000, 0.0012591400000000, -0.0000203200000000 ] - [ 0.0000683600000000, 0.0006377900000000, -0.0003655100000000 ] - [ 0.0006313200000000, 0.0010693500000000, -0.0003985400000000 ] - [ -0.0001764300000000, 0.0003503100000000, -0.0005679100000000 ] - [ 0.0783918000000000, 0.1336135000000000, 0.0480364100000000 ] - [ -0.0001951300000000, 0.0003293700000000, -0.0005933400000000 ] - [ -0.0004278500000000, 0.0003626100000000, -0.0002938500000000 ] - [ -0.0004761900000000, -0.0000320600000000, -0.0001301200000000 ] - [ -0.0004598100000000, -0.0000997800000000, 0.0005334900000000 ] - [ -0.0004617500000000, -0.0000134700000000, -0.0000729800000000 ] - [ 0.0013201200000000, -0.0021711400000000, 0.0001193700000000 ] - [ -0.0004723500000000, -0.0000359200000000, -0.0000893300000000 ] - [ -0.0013201200000000, -0.0021711400000000, -0.0001193700000000 ] - [ 0.0004723500000000, -0.0000359200000000, 0.0000893300000000 ] - [ 0.0004598100000000, -0.0000997800000000, -0.0005334900000000 ] - [ 0.0004617500000000, -0.0000134700000000, 0.0000729800000000 ] - [ 0.0004278500000000, 0.0003626100000000, 0.0002938500000000 ] - [ 0.0004761900000000, -0.0000320600000000, 0.0001301200000000 ] - [ -0.0783918000000000, 0.1336135000000000, -0.0480364100000000 ] - [ 0.0001951300000000, 0.0003293700000000, 0.0005933400000000 ] - [ -0.0006313200000000, 0.0010693500000000, 0.0003985400000000 ] - [ 0.0001764300000000, 0.0003503100000000, 0.0005679100000000 ] - [ -0.0003320500000000, 0.0012591400000000, 0.0000203200000000 ] - [ -0.0000683600000000, 0.0006377900000000, 0.0003655100000000 ] - [ 0.0019528000000000, 0.0001908300000000, 0.0009174000000000 ] - [ -0.0001643000000000, -0.0006543900000000, 0.0002708300000000 ] - [ 0.0005486100000000, 0.0000431500000000, 0.0007329300000000 ] - [ -0.0000281800000000, -0.0005613000000000, 0.0004582300000000 ] - [ 0.0018312900000000, 0.0008782300000000, 0.0020229000000000 ] - [ 0.0000678000000000, -0.0003136900000000, 0.0005790700000000 ] - [ -0.0018312900000000, 0.0008782300000000, -0.0020229000000000 ] - [ -0.0000678000000000, -0.0003136900000000, -0.0005790700000000 ] - [ -0.0005486100000000, 0.0000431500000000, -0.0007329300000000 ] - [ 0.0000281800000000, -0.0005613000000000, -0.0004582300000000 ] - [ -0.0019528000000000, 0.0001908300000000, -0.0009174000000000 ] - [ 0.0001643000000000, -0.0006543900000000, -0.0002708300000000 ] - [ -0.0023670700000000, -0.0020963700000000, -0.0019973900000000 ] - [ -0.0001439100000000, 0.0002330900000000, -0.0006070400000000 ] - [ -0.0005968800000000, -0.0001644000000000, -0.0007647100000000 ] - [ -0.0003824000000000, 0.0002696700000000, -0.0006591600000000 ] - [ -0.0014146500000000, -0.0011958500000000, -0.0016005900000000 ] - [ -0.0002132600000000, 0.0001500800000000, -0.0007036400000000 ] - [ -0.0020008500000000, 0.0010583000000000, 0.0014588200000000 ] - [ -0.0003656900000000, 0.0000021500000000, -0.0001153000000000 ] - [ -0.0003811100000000, 0.0000311200000000, -0.0002859900000000 ] - [ -0.0005780500000000, 0.0000336800000000, -0.0002593700000000 ] - [ 0.0005662300000000, 0.0002378300000000, -0.0011963900000000 ] - [ -0.0004231700000000, 0.0000420000000000, 0.0000562600000000 ] - [ -0.0005662300000000, 0.0002378300000000, 0.0011963900000000 ] - [ 0.0004231700000000, 0.0000420000000000, -0.0000562600000000 ] - [ 0.0003811100000000, 0.0000311200000000, 0.0002859900000000 ] - [ 0.0005780500000000, 0.0000336800000000, 0.0002593700000000 ] - [ 0.0020008500000000, 0.0010583000000000, -0.0014588200000000 ] - [ 0.0003656900000000, 0.0000021500000000, 0.0001153000000000 ] - [ 0.0014146500000000, -0.0011958500000000, 0.0016005900000000 ] - [ 0.0002132600000000, 0.0001500800000000, 0.0007036400000000 ] - [ 0.0005968800000000, -0.0001644000000000, 0.0007647100000000 ] - [ 0.0003824000000000, 0.0002696700000000, 0.0006591600000000 ] - [ 0.0023670700000000, -0.0020963700000000, 0.0019973900000000 ] - [ 0.0001439100000000, 0.0002330900000000, 0.0006070400000000 ] - [ -0.0000458000000000, -0.0024657500000000, 0.0001561400000000 ] - [ 0.0000319800000000, 0.0000506600000000, -0.0000985000000000 ] - [ 0.0000000000000000, -0.0004261800000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000779600000000, 0.0000000000000000 ] - [ 0.0000458000000000, -0.0024657500000000, -0.0001561400000000 ] - [ -0.0000319800000000, 0.0000506600000000, 0.0000985000000000 ] - [ -0.0027023600000000, 0.0097754200000000, 0.0080704600000000 ] - [ 0.0000132400000000, -0.0000737500000000, -0.0001200500000000 ] - [ 0.0000000000000000, 0.0000279700000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0000959000000000, 0.0000000000000000 ] - [ 0.0027023600000000, 0.0097754200000000, -0.0080704600000000 ] - [ -0.0000132400000000, -0.0000737500000000, 0.0001200500000000 ] - [ 0.0000500400000000, 0.0008186300000000, -0.0001238400000000 ] - [ 0.0006586600000000, 0.0031079400000000, -0.0004934900000000 ] - [ 0.0000227000000000, 0.0008592900000000, -0.0002951600000000 ] - [ -0.0000227000000000, 0.0008592900000000, 0.0002951600000000 ] - [ -0.0006586600000000, 0.0031079400000000, 0.0004934900000000 ] - [ -0.0000500400000000, 0.0008186300000000, 0.0001238400000000 ] - [ -0.0001549400000000, -0.0006019200000000, 0.0000460800000000 ] - [ 0.0020734300000000, -0.0024100700000000, -0.0000929400000000 ] - [ -0.0000331300000000, -0.0007244500000000, -0.0005541900000000 ] - [ 0.0000331300000000, -0.0007244500000000, 0.0005541900000000 ] - [ -0.0020734300000000, -0.0024100700000000, 0.0000929400000000 ] - [ 0.0001549400000000, -0.0006019200000000, -0.0000460800000000 ] - [ -0.0027494000000000, 0.0022293800000000, 0.0012068800000000 ] - [ 0.0003137800000000, 0.0002909800000000, 0.0005649500000000 ] - [ -0.0002940400000000, 0.0002178500000000, 0.0001014800000000 ] - [ 0.0001441000000000, 0.0002082500000000, 0.0004196500000000 ] - [ -0.0031160500000000, 0.0052585100000000, -0.0041523500000000 ] - [ 0.0002047400000000, 0.0000648400000000, 0.0003961800000000 ] - [ 0.0031160500000000, 0.0052585100000000, 0.0041523500000000 ] - [ -0.0002047400000000, 0.0000648400000000, -0.0003961800000000 ] - [ 0.0002940400000000, 0.0002178500000000, -0.0001014800000000 ] - [ -0.0001441000000000, 0.0002082500000000, -0.0004196500000000 ] - [ 0.0027494000000000, 0.0022293800000000, -0.0012068800000000 ] - [ -0.0003137800000000, 0.0002909800000000, -0.0005649500000000 ] - [ 0.0000000000000000, -0.3204544000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0001467300000000, 0.0000000000000000 ] - [ -0.0001481000000000, -0.0018275700000000, 0.0003819600000000 ] - [ -0.0001835600000000, -0.0000892800000000, -0.0000832500000000 ] - [ 0.0001481000000000, -0.0018275700000000, -0.0003819600000000 ] - [ 0.0001835600000000, -0.0000892800000000, 0.0000832500000000 ] - [ 0.0000000000000000, 0.0041743600000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0001911200000000, 0.0000000000000000 ] - [ 0.0002991200000000, 0.0005242900000000, -0.0003545100000000 ] - [ -0.0001843300000000, 0.0000523500000000, -0.0000830600000000 ] - [ -0.0002991200000000, 0.0005242900000000, 0.0003545100000000 ] - [ 0.0001843300000000, 0.0000523500000000, 0.0000830600000000 ] - [ -0.0210558400000000, 0.0146115000000000, -0.0147913600000000 ] - [ 0.0001392400000000, -0.0000624900000000, 0.0003486800000000 ] - [ 0.0008931600000000, -0.0004041400000000, -0.0002858700000000 ] - [ 0.0001900500000000, -0.0000654100000000, 0.0006759600000000 ] - [ -0.0003301500000000, -0.0005373800000000, 0.0013744200000000 ] - [ 0.0015208200000000, -0.0001988900000000, 0.0006563400000000 ] - [ 0.0003301500000000, -0.0005373800000000, -0.0013744200000000 ] - [ -0.0015208200000000, -0.0001988900000000, -0.0006563400000000 ] - [ -0.0008931600000000, -0.0004041400000000, 0.0002858700000000 ] - [ -0.0001900500000000, -0.0000654100000000, -0.0006759600000000 ] - [ 0.0210558400000000, 0.0146115000000000, 0.0147913600000000 ] - [ -0.0001392400000000, -0.0000624900000000, -0.0003486800000000 ] - [ -0.0004900800000000, 0.0018061500000000, -0.0007691100000000 ] - [ 0.0004900800000000, 0.0018061500000000, 0.0007691100000000 ] - [ -0.0003043100000000, 0.0007279000000000, -0.0000396400000000 ] - [ 0.0010650500000000, 0.0027320900000000, 0.0003624700000000 ] - [ -0.0010650500000000, 0.0027320900000000, -0.0003624700000000 ] - [ 0.0003043100000000, 0.0007279000000000, 0.0000396400000000 ] - [ -0.0013472100000000, -0.0009733000000000, -0.0005321100000000 ] - [ 0.0013472100000000, -0.0009733000000000, 0.0005321100000000 ] - [ -0.0003402100000000, -0.0006431000000000, -0.0000162200000000 ] - [ 0.0010020800000000, -0.0015682000000000, 0.0006418600000000 ] - [ -0.0010020800000000, -0.0015682000000000, -0.0006418600000000 ] - [ 0.0003402100000000, -0.0006431000000000, 0.0000162200000000 ]- atom: 109 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0022912500000000, 0.0031451100000000, 0.0021866700000000 ] - [ 0.0002302200000000, -0.0001911700000000, 0.0006008400000000 ] - [ 0.0005706500000000, -0.0000467300000000, 0.0003975000000000 ] - [ 0.0002362800000000, -0.0001537300000000, 0.0006457600000000 ] - [ 0.0002121100000000, 0.0000200500000000, 0.0009466800000000 ] - [ 0.0004913700000000, 0.0001099100000000, 0.0008389000000000 ] - [ -0.0002121100000000, 0.0000200500000000, -0.0009466800000000 ] - [ -0.0004913700000000, 0.0001099100000000, -0.0008389000000000 ] - [ -0.0005706500000000, -0.0000467300000000, -0.0003975000000000 ] - [ -0.0002362800000000, -0.0001537300000000, -0.0006457600000000 ] - [ -0.0022912500000000, 0.0031451100000000, -0.0021866700000000 ] - [ -0.0002302200000000, -0.0001911700000000, -0.0006008400000000 ] - [ -0.0007582300000000, -0.0007834900000000, -0.0011994700000000 ] - [ -0.0004922500000000, -0.0001564800000000, -0.0008520100000000 ] - [ -0.0010526400000000, -0.0005904100000000, -0.0008236200000000 ] - [ -0.0002489500000000, 0.0001255600000000, -0.0006561400000000 ] - [ -0.0845635300000000, -0.1365110300000000, -0.0529682400000000 ] - [ -0.0002290200000000, 0.0001501200000000, -0.0006253700000000 ] - [ -0.0003877800000000, -0.0003574600000000, 0.0001472600000000 ] - [ -0.0003400100000000, 0.0000320000000000, -0.0000113000000000 ] - [ -0.0003588700000000, 0.0000999100000000, -0.0006730300000000 ] - [ -0.0003573800000000, 0.0000137900000000, -0.0000699900000000 ] - [ -0.0021149500000000, 0.0021457300000000, -0.0002577700000000 ] - [ -0.0003397000000000, 0.0000358700000000, -0.0000592000000000 ] - [ 0.0021149500000000, 0.0021457300000000, 0.0002577700000000 ] - [ 0.0003397000000000, 0.0000358700000000, 0.0000592000000000 ] - [ 0.0003588700000000, 0.0000999100000000, 0.0006730300000000 ] - [ 0.0003573800000000, 0.0000137900000000, 0.0000699900000000 ] - [ 0.0003877800000000, -0.0003574600000000, -0.0001472600000000 ] - [ 0.0003400100000000, 0.0000320000000000, 0.0000113000000000 ] - [ 0.0845635300000000, -0.1365110300000000, 0.0529682400000000 ] - [ 0.0002290200000000, 0.0001501200000000, 0.0006253700000000 ] - [ 0.0010526400000000, -0.0005904100000000, 0.0008236200000000 ] - [ 0.0002489500000000, 0.0001255600000000, 0.0006561400000000 ] - [ 0.0007582300000000, -0.0007834900000000, 0.0011994700000000 ] - [ 0.0004922500000000, -0.0001564800000000, 0.0008520100000000 ] - [ -0.0015118500000000, -0.0006663800000000, 0.0003004100000000 ] - [ 0.0005880600000000, 0.0001749600000000, 0.0009468900000000 ] - [ -0.0001211400000000, -0.0005158800000000, 0.0004901400000000 ] - [ 0.0004489800000000, 0.0000809500000000, 0.0007622200000000 ] - [ -0.0013889700000000, -0.0013429100000000, -0.0007840200000000 ] - [ 0.0003579900000000, -0.0001608500000000, 0.0006432000000000 ] - [ 0.0013889700000000, -0.0013429100000000, 0.0007840200000000 ] - [ -0.0003579900000000, -0.0001608500000000, -0.0006432000000000 ] - [ 0.0001211400000000, -0.0005158800000000, -0.0004901400000000 ] - [ -0.0004489800000000, 0.0000809500000000, -0.0007622200000000 ] - [ 0.0015118500000000, -0.0006663800000000, -0.0003004100000000 ] - [ -0.0005880600000000, 0.0001749600000000, -0.0009468900000000 ] - [ 0.0019168300000000, 0.0025460600000000, 0.0007608400000000 ] - [ -0.0002794500000000, 0.0002438400000000, -0.0006138400000000 ] - [ 0.0001717800000000, 0.0006390300000000, -0.0004577900000000 ] - [ -0.0000442300000000, 0.0002082200000000, -0.0005629500000000 ] - [ 0.0009782600000000, 0.0016613100000000, 0.0003730000000000 ] - [ -0.0002141200000000, 0.0003243500000000, -0.0005182900000000 ] - [ 0.0011616300000000, -0.0010453600000000, -0.0015764300000000 ] - [ -0.0004508200000000, -0.0000013300000000, -0.0000229700000000 ] - [ -0.0004346900000000, -0.0000316800000000, 0.0001368700000000 ] - [ -0.0002409600000000, -0.0000324600000000, 0.0001117600000000 ] - [ -0.0013813800000000, -0.0002346600000000, 0.0010356200000000 ] - [ -0.0003886800000000, -0.0000407400000000, -0.0002022900000000 ] - [ 0.0013813800000000, -0.0002346600000000, -0.0010356200000000 ] - [ 0.0003886800000000, -0.0000407400000000, 0.0002022900000000 ] - [ 0.0004346900000000, -0.0000316800000000, -0.0001368700000000 ] - [ 0.0002409600000000, -0.0000324600000000, -0.0001117600000000 ] - [ -0.0011616300000000, -0.0010453600000000, 0.0015764300000000 ] - [ 0.0004508200000000, -0.0000013300000000, 0.0000229700000000 ] - [ -0.0009782600000000, 0.0016613100000000, -0.0003730000000000 ] - [ 0.0002141200000000, 0.0003243500000000, 0.0005182900000000 ] - [ -0.0001717800000000, 0.0006390300000000, 0.0004577900000000 ] - [ 0.0000442300000000, 0.0002082200000000, 0.0005629500000000 ] - [ -0.0019168300000000, 0.0025460600000000, -0.0007608400000000 ] - [ 0.0002794500000000, 0.0002438400000000, 0.0006138400000000 ] - [ 0.0000656000000000, 0.0028584800000000, -0.0002782300000000 ] - [ -0.0000097100000000, 0.0003888400000000, -0.0000219600000000 ] - [ 0.0000000000000000, 0.0008937900000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0004018900000000, 0.0000000000000000 ] - [ -0.0000656000000000, 0.0028584800000000, 0.0002782300000000 ] - [ 0.0000097100000000, 0.0003888400000000, 0.0000219600000000 ] - [ 0.0025716000000000, -0.0099810200000000, -0.0077529700000000 ] - [ 0.0000102400000000, -0.0003660800000000, -0.0000035400000000 ] - [ 0.0000000000000000, -0.0004998800000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0003784400000000, 0.0000000000000000 ] - [ -0.0025716000000000, -0.0099810200000000, 0.0077529700000000 ] - [ -0.0000102400000000, -0.0003660800000000, 0.0000035400000000 ] - [ -0.0000274900000000, -0.0003797100000000, 0.0000016200000000 ] - [ -0.0006285500000000, -0.0026529700000000, 0.0003705700000000 ] - [ -0.0000245500000000, -0.0003660900000000, 0.0002927300000000 ] - [ 0.0000245500000000, -0.0003660900000000, -0.0002927300000000 ] - [ 0.0006285500000000, -0.0026529700000000, -0.0003705700000000 ] - [ 0.0000274900000000, -0.0003797100000000, -0.0000016200000000 ] - [ 0.0001755400000000, 0.0001655000000000, -0.0001650800000000 ] - [ -0.0020209500000000, 0.0019603600000000, -0.0000252600000000 ] - [ 0.0000315400000000, 0.0002354600000000, 0.0005510600000000 ] - [ -0.0000315400000000, 0.0002354600000000, -0.0005510600000000 ] - [ 0.0020209500000000, 0.0019603600000000, 0.0000252600000000 ] - [ -0.0001755400000000, 0.0001655000000000, 0.0001650800000000 ] - [ 0.0028281200000000, -0.0022073300000000, -0.0003967700000000 ] - [ -0.0001999400000000, -0.0002873600000000, 0.0002190100000000 ] - [ 0.0003985700000000, -0.0002127500000000, 0.0006312700000000 ] - [ -0.0000252400000000, -0.0002093500000000, 0.0003145900000000 ] - [ 0.0032146800000000, -0.0051901600000000, 0.0048266000000000 ] - [ -0.0000859200000000, -0.0000634800000000, 0.0003506400000000 ] - [ -0.0032146800000000, -0.0051901600000000, -0.0048266000000000 ] - [ 0.0000859200000000, -0.0000634800000000, -0.0003506400000000 ] - [ -0.0003985700000000, -0.0002127500000000, -0.0006312700000000 ] - [ 0.0000252400000000, -0.0002093500000000, -0.0003145900000000 ] - [ -0.0028281200000000, -0.0022073300000000, 0.0003967700000000 ] - [ 0.0001999400000000, -0.0002873600000000, -0.0002190100000000 ] - [ 0.0000000000000000, 0.3270592700000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0004915800000000, 0.0000000000000000 ] - [ 0.0001544600000000, 0.0024475300000000, -0.0003738700000000 ] - [ 0.0001752600000000, 0.0007218600000000, 0.0001236500000000 ] - [ -0.0001544600000000, 0.0024475300000000, 0.0003738700000000 ] - [ -0.0001752600000000, 0.0007218600000000, -0.0001236500000000 ] - [ 0.0000000000000000, -0.0047934700000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0004484000000000, 0.0000000000000000 ] - [ -0.0002996000000000, -0.0011598400000000, 0.0003894700000000 ] - [ 0.0001784200000000, -0.0006798000000000, 0.0001175100000000 ] - [ 0.0002996000000000, -0.0011598400000000, -0.0003894700000000 ] - [ -0.0001784200000000, -0.0006798000000000, -0.0001175100000000 ] - [ 0.0212171700000000, -0.0144878400000000, 0.0156023500000000 ] - [ -0.0000240600000000, 0.0000671700000000, 0.0004332100000000 ] - [ -0.0007863000000000, 0.0004069800000000, 0.0010123000000000 ] - [ -0.0000839500000000, 0.0000654000000000, 0.0000576600000000 ] - [ 0.0004597900000000, 0.0005433800000000, -0.0006261100000000 ] - [ -0.0013813600000000, 0.0001907500000000, 0.0000959100000000 ] - [ -0.0004597900000000, 0.0005433800000000, 0.0006261100000000 ] - [ 0.0013813600000000, 0.0001907500000000, -0.0000959100000000 ] - [ 0.0007863000000000, 0.0004069800000000, -0.0010123000000000 ] - [ 0.0000839500000000, 0.0000654000000000, -0.0000576600000000 ] - [ -0.0212171700000000, -0.0144878400000000, -0.0156023500000000 ] - [ 0.0000240600000000, 0.0000671700000000, -0.0004332100000000 ] - [ 0.0004910600000000, -0.0011436100000000, 0.0007545800000000 ] - [ -0.0004910600000000, -0.0011436100000000, -0.0007545800000000 ] - [ 0.0002974900000000, -0.0001014700000000, 0.0000754100000000 ] - [ -0.0010552300000000, -0.0020706700000000, -0.0003322200000000 ] - [ 0.0010552300000000, -0.0020706700000000, 0.0003322200000000 ] - [ -0.0002974900000000, -0.0001014700000000, -0.0000754100000000 ] - [ 0.0013345700000000, 0.0003238800000000, 0.0005361100000000 ] - [ -0.0013345700000000, 0.0003238800000000, -0.0005361100000000 ] - [ 0.0003371200000000, 0.0000039300000000, 0.0000448900000000 ] - [ -0.0009938000000000, 0.0009228300000000, -0.0006003000000000 ] - [ 0.0009938000000000, 0.0009228300000000, 0.0006003000000000 ] - [ -0.0003371200000000, 0.0000039300000000, -0.0000448900000000 ]- atom: 109 displacement: [ -0.0035913823858773, 0.0000000000000000, 0.0093328437551697 ] forces: - [ 0.0014024100000000, 0.0011717000000000, 0.0025665200000000 ] - [ 0.0002542500000000, -0.0001817800000000, 0.0006717100000000 ] - [ 0.0002937000000000, 0.0000211200000000, 0.0002882900000000 ] - [ 0.0000104700000000, -0.0004020500000000, 0.0004353200000000 ] - [ 0.0001454900000000, -0.0008345800000000, 0.0001869800000000 ] - [ -0.0000137800000000, -0.0004175300000000, 0.0004805900000000 ] - [ -0.0002895200000000, 0.0003705800000000, -0.0010395300000000 ] - [ -0.0004411100000000, -0.0000585100000000, -0.0007400000000000 ] - [ -0.0001347500000000, -0.0004901100000000, -0.0009394300000000 ] - [ -0.0004200300000000, -0.0000691000000000, -0.0007915200000000 ] - [ 0.0010009200000000, -0.0016662000000000, 0.0013665100000000 ] - [ -0.0001762400000000, -0.0002914500000000, -0.0005515200000000 ] - [ 0.0025893100000000, 0.0019505200000000, -0.0015453700000000 ] - [ -0.0004448700000000, 0.0000486800000000, -0.0007406800000000 ] - [ -0.0016003300000000, -0.0013760300000000, -0.0027570100000000 ] - [ -0.0004208500000000, 0.0000667300000000, -0.0007935300000000 ] - [ 0.0177201000000000, 0.0244495300000000, 0.0365491800000000 ] - [ -0.0001696500000000, 0.0002836800000000, -0.0005531800000000 ] - [ 0.0000009800000000, -0.0001666000000000, -0.0004262600000000 ] - [ -0.0005301100000000, 0.0000003100000000, 0.0000046500000000 ] - [ -0.0005397700000000, 0.0002400400000000, -0.0004102900000000 ] - [ -0.0004182200000000, 0.0000027500000000, -0.0001783100000000 ] - [ -0.0008071700000000, 0.0003040600000000, 0.0007514300000000 ] - [ -0.0003723900000000, 0.0000132400000000, -0.0000667600000000 ] - [ 0.0000113000000000, -0.0003160300000000, 0.0008712200000000 ] - [ 0.0004433700000000, -0.0000137300000000, 0.0000712400000000 ] - [ 0.0002825800000000, -0.0002418700000000, -0.0002805300000000 ] - [ 0.0004093500000000, -0.0000030200000000, -0.0000528500000000 ] - [ 0.0008135100000000, 0.0001626900000000, -0.0002889900000000 ] - [ 0.0002932900000000, -0.0000008700000000, 0.0001288900000000 ] - [ 0.0176276100000000, -0.0225613600000000, 0.0365153500000000 ] - [ 0.0002640800000000, 0.0001873600000000, 0.0006715200000000 ] - [ -0.0011876800000000, 0.0018651700000000, -0.0015467200000000 ] - [ 0.0000142900000000, 0.0004009800000000, 0.0004355100000000 ] - [ 0.0029924200000000, -0.0014629900000000, -0.0003172700000000 ] - [ -0.0000125000000000, 0.0004249700000000, 0.0004813300000000 ] - [ 0.0011067800000000, -0.0001340900000000, 0.0013320400000000 ] - [ 0.0004712200000000, 0.0000373100000000, 0.0008924700000000 ] - [ 0.0002570300000000, -0.0003734700000000, 0.0002759000000000 ] - [ -0.0002390100000000, -0.0005772500000000, 0.0002978800000000 ] - [ -0.0005650000000000, -0.0002822300000000, 0.0001703700000000 ] - [ 0.0002276100000000, -0.0002241000000000, 0.0005970900000000 ] - [ -0.0010069900000000, -0.0001870100000000, -0.0010619400000000 ] - [ -0.0002030700000000, -0.0002478700000000, -0.0006264800000000 ] - [ -0.0001792900000000, -0.0000961800000000, -0.0009527400000000 ] - [ -0.0006674800000000, 0.0001021300000000, -0.0009267600000000 ] - [ 0.0006757500000000, -0.0003396400000000, 0.0001104400000000 ] - [ 0.0000371000000000, -0.0005073300000000, -0.0003325100000000 ] - [ -0.0009110100000000, -0.0002939500000000, -0.0011688800000000 ] - [ -0.0002348000000000, 0.0002049500000000, -0.0006600500000000 ] - [ -0.0002529000000000, 0.0001319200000000, -0.0008543900000000 ] - [ -0.0006072300000000, -0.0000150300000000, -0.0008458600000000 ] - [ 0.0005116100000000, 0.0009619500000000, 0.0001909300000000 ] - [ -0.0001678200000000, 0.0002758600000000, -0.0005460700000000 ] - [ -0.0017772700000000, 0.0017843900000000, -0.0022999700000000 ] - [ -0.0004145700000000, 0.0000009700000000, -0.0001625000000000 ] - [ -0.0000607400000000, -0.0000957000000000, -0.0006607500000000 ] - [ -0.0005792500000000, 0.0000011800000000, -0.0001281000000000 ] - [ 0.0006852500000000, -0.0013200400000000, 0.0014495400000000 ] - [ -0.0003750700000000, 0.0000189900000000, 0.0000291600000000 ] - [ 0.0015135400000000, 0.0013294000000000, 0.0016001300000000 ] - [ 0.0004413200000000, -0.0000188600000000, 0.0001622400000000 ] - [ 0.0007633100000000, 0.0000974700000000, -0.0005241600000000 ] - [ 0.0002484200000000, -0.0000005500000000, 0.0000030000000000 ] - [ -0.0009236500000000, -0.0017624400000000, -0.0021825600000000 ] - [ 0.0004105200000000, -0.0000008800000000, -0.0000437200000000 ] - [ 0.0009453700000000, -0.0004920400000000, 0.0014148300000000 ] - [ 0.0002677700000000, 0.0001920000000000, 0.0006798500000000 ] - [ 0.0001817400000000, 0.0003353200000000, 0.0003748400000000 ] - [ -0.0001727800000000, 0.0004859400000000, 0.0003813200000000 ] - [ -0.0004658700000000, 0.0007512000000000, 0.0000627900000000 ] - [ 0.0001952100000000, 0.0002669400000000, 0.0005632700000000 ] - [ 0.0000909900000000, -0.0002552600000000, 0.0004083200000000 ] - [ -0.0000060000000000, 0.0002385100000000, -0.0000814100000000 ] - [ 0.0004215800000000, 0.0002421500000000, -0.0007348100000000 ] - [ -0.0002742100000000, 0.0002419400000000, -0.0000666100000000 ] - [ 0.0000746700000000, 0.0006703500000000, 0.0005256600000000 ] - [ -0.0000321500000000, 0.0001891900000000, 0.0000406600000000 ] - [ -0.0059930200000000, 0.0063860200000000, 0.0160096300000000 ] - [ 0.0000094400000000, -0.0002355600000000, -0.0000770500000000 ] - [ 0.0009781600000000, -0.0002518000000000, -0.0023436800000000 ] - [ -0.0002727200000000, -0.0002360800000000, -0.0000735600000000 ] - [ -0.0057759800000000, -0.0061340700000000, 0.0154264800000000 ] - [ -0.0000169700000000, -0.0001865100000000, 0.0000465400000000 ] - [ 0.0008149600000000, 0.0000850000000000, -0.0000500400000000 ] - [ -0.0009362300000000, -0.0003767200000000, 0.0004993300000000 ] - [ -0.0002661400000000, 0.0003049000000000, -0.0006124500000000 ] - [ -0.0002725000000000, 0.0001844500000000, -0.0006099600000000 ] - [ -0.0009650900000000, 0.0008223200000000, 0.0006216000000000 ] - [ 0.0007869000000000, 0.0003515400000000, 0.0000664400000000 ] - [ 0.0004974000000000, 0.0000621400000000, -0.0000020500000000 ] - [ -0.0009349000000000, 0.0003640700000000, 0.0001987000000000 ] - [ -0.0001421500000000, -0.0003569600000000, -0.0004568900000000 ] - [ -0.0001463100000000, -0.0001299800000000, -0.0004507500000000 ] - [ -0.0009813700000000, -0.0008022200000000, 0.0003211000000000 ] - [ 0.0004742800000000, -0.0004989200000000, 0.0001109900000000 ] - [ -0.0015893300000000, 0.0018416500000000, -0.0006274500000000 ] - [ -0.0000476300000000, -0.0001329400000000, 0.0001883700000000 ] - [ -0.0001407200000000, -0.0001496200000000, 0.0013885700000000 ] - [ 0.0006623700000000, 0.0000389100000000, 0.0007190800000000 ] - [ 0.0015940400000000, -0.0024304300000000, 0.0011196200000000 ] - [ 0.0000480600000000, -0.0000366700000000, 0.0004506500000000 ] - [ 0.0014523200000000, 0.0024612000000000, 0.0004119400000000 ] - [ -0.0000945000000000, 0.0000336300000000, -0.0002920000000000 ] - [ -0.0002639800000000, 0.0001594600000000, 0.0006661700000000 ] - [ 0.0005245100000000, -0.0000435200000000, -0.0000021400000000 ] - [ -0.0017168400000000, -0.0018371200000000, -0.0014108900000000 ] - [ -0.0001791900000000, 0.0001301900000000, -0.0005869300000000 ] - [ -0.0393922400000000, -0.0019376000000000, -0.1133685200000000 ] - [ -0.0000676700000000, 0.0003365300000000, -0.0000794300000000 ] - [ -0.0034559600000000, -0.0000773600000000, 0.0089575100000000 ] - [ 0.0003376200000000, 0.0003687400000000, 0.0002299400000000 ] - [ -0.0034071200000000, 0.0007414400000000, 0.0088084500000000 ] - [ 0.0003463200000000, 0.0003020900000000, 0.0001903900000000 ] - [ -0.0014787400000000, -0.0003288100000000, -0.0026293300000000 ] - [ -0.0000548500000000, -0.0003302500000000, -0.0000713100000000 ] - [ -0.0001325000000000, -0.0007882200000000, 0.0006580300000000 ] - [ 0.0003360000000000, -0.0003534400000000, 0.0002199800000000 ] - [ -0.0001335300000000, 0.0001212000000000, 0.0006271500000000 ] - [ 0.0003435800000000, -0.0002982800000000, 0.0001846500000000 ] - [ 0.0110648600000000, -0.0091542000000000, -0.0015097300000000 ] - [ -0.0002279900000000, -0.0000168700000000, 0.0003218700000000 ] - [ 0.0006805700000000, -0.0009290500000000, 0.0019309400000000 ] - [ 0.0004712600000000, -0.0000008600000000, 0.0007739500000000 ] - [ -0.0021379800000000, 0.0018558600000000, 0.0002140600000000 ] - [ 0.0008242200000000, -0.0000681400000000, 0.0004097500000000 ] - [ -0.0023059500000000, -0.0018675500000000, -0.0005302800000000 ] - [ 0.0006622100000000, 0.0000603200000000, -0.0003343900000000 ] - [ 0.0005358000000000, 0.0009198500000000, 0.0012045700000000 ] - [ 0.0003422200000000, 0.0000013800000000, 0.0000486000000000 ] - [ 0.0110477400000000, 0.0092778200000000, -0.0021462400000000 ] - [ -0.0003622700000000, 0.0000191500000000, -0.0004463000000000 ] - [ -0.0004117700000000, 0.0008730900000000, -0.0008337100000000 ] - [ -0.0004178800000000, -0.0001918000000000, -0.0008239200000000 ] - [ -0.0000764500000000, 0.0002738200000000, 0.0004046300000000 ] - [ 0.0009340100000000, 0.0003935000000000, 0.0006920100000000 ] - [ 0.0009320300000000, 0.0002848000000000, 0.0006677400000000 ] - [ -0.0000675000000000, 0.0003857200000000, 0.0003727900000000 ] - [ -0.0006712400000000, -0.0003574100000000, -0.0009252600000000 ] - [ -0.0006718100000000, -0.0003218200000000, -0.0009287900000000 ] - [ -0.0002053900000000, -0.0002428700000000, 0.0004507600000000 ] - [ 0.0009566500000000, -0.0001122400000000, 0.0005343900000000 ] - [ 0.0009527200000000, -0.0005505200000000, 0.0004961000000000 ] - [ -0.0001969500000000, -0.0004207900000000, 0.0004206800000000 ]