# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/e11cb43b-7422-4da3-a074-f79f7695d56d/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 Na2Li3GaO4 / Pnnm (58) / materials id 540945](https://mdr.nims.go.jp/datasets/bfa7e24e-4f78-455c-95e5-4e2f21f35e96) ## Fulltext phonopy: version: 2.17.1 frequency_unit_conversion_factor: 15.633302 symmetry_tolerance: 1.00000e-05 configuration: save_params: ".true."physical_unit: atomic_mass: "AMU" length: "angstrom" force_constants: "eV/angstrom^2"space_group: type: "Pnnm" number: 58 Hall_symbol: "-P 2 2n"supercell_matrix:- [ 1, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 2 ]primitive_cell: lattice: - [ 7.916944210000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 8.218523220000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 6.500803470000000 ] # c points: - symbol: Ga # 1 coordinates: [ 0.774757400000000, 0.875850250000000, 0.000000000000000 ] mass: 69.723000 - symbol: Ga # 2 coordinates: [ 0.225242600000000, 0.124149750000000, 0.000000000000000 ] mass: 69.723000 - symbol: Ga # 3 coordinates: [ 0.274757400000000, 0.624149750000000, 0.500000000000000 ] mass: 69.723000 - symbol: Ga # 4 coordinates: [ 0.725242600000000, 0.375850250000000, 0.500000000000000 ] mass: 69.723000 - symbol: Na # 5 coordinates: [ 0.258673770000000, 0.752596100000000, 0.000000000000000 ] mass: 22.989769 - symbol: Na # 6 coordinates: [ 0.741326230000000, 0.247403900000000, 0.000000000000000 ] mass: 22.989769 - symbol: Na # 7 coordinates: [ 0.758673770000000, 0.747403900000000, 0.500000000000000 ] mass: 22.989769 - symbol: Na # 8 coordinates: [ 0.241326230000000, 0.252596100000000, 0.500000000000000 ] mass: 22.989769 - symbol: Na # 9 coordinates: [ 0.500000000000000, 0.000000000000000, 0.741209900000000 ] mass: 22.989769 - symbol: Na # 10 coordinates: [ 0.000000000000000, 0.500000000000000, 0.758790100000000 ] mass: 22.989769 - symbol: Na # 11 coordinates: [ 0.500000000000000, 0.000000000000000, 0.258790100000000 ] mass: 22.989769 - symbol: Na # 12 coordinates: [ 0.000000000000000, 0.500000000000000, 0.241209900000000 ] mass: 22.989769 - symbol: O # 13 coordinates: [ 0.563167640000000, 0.775017480000000, 0.000000000000000 ] mass: 15.999400 - symbol: O # 14 coordinates: [ 0.436832360000000, 0.224982520000000, 0.000000000000000 ] mass: 15.999400 - symbol: O # 15 coordinates: [ 0.063167640000000, 0.724982520000000, 0.500000000000000 ] mass: 15.999400 - symbol: O # 16 coordinates: [ 0.936832360000000, 0.275017480000000, 0.500000000000000 ] mass: 15.999400 - symbol: O # 17 coordinates: [ 0.803356630000000, 0.989576680000000, 0.757383140000000 ] mass: 15.999400 - symbol: O # 18 coordinates: [ 0.196643370000000, 0.010423320000000, 0.757383140000000 ] mass: 15.999400 - symbol: O # 19 coordinates: [ 0.303356630000000, 0.510423320000000, 0.742616860000000 ] mass: 15.999400 - symbol: O # 20 coordinates: [ 0.696643370000000, 0.489576680000000, 0.742616860000000 ] mass: 15.999400 - symbol: O # 21 coordinates: [ 0.196643370000000, 0.010423320000000, 0.242616860000000 ] mass: 15.999400 - symbol: O # 22 coordinates: [ 0.803356630000000, 0.989576680000000, 0.242616860000000 ] mass: 15.999400 - symbol: O # 23 coordinates: [ 0.696643370000000, 0.489576680000000, 0.257383140000000 ] mass: 15.999400 - symbol: O # 24 coordinates: [ 0.303356630000000, 0.510423320000000, 0.257383140000000 ] mass: 15.999400 - symbol: O # 25 coordinates: [ 0.951665040000000, 0.721992920000000, 0.000000000000000 ] mass: 15.999400 - symbol: O # 26 coordinates: [ 0.048334960000000, 0.278007080000000, 0.000000000000000 ] mass: 15.999400 - symbol: O # 27 coordinates: [ 0.451665040000000, 0.778007080000000, 0.500000000000000 ] mass: 15.999400 - symbol: O # 28 coordinates: [ 0.548334960000000, 0.221992920000000, 0.500000000000000 ] mass: 15.999400 - symbol: Li # 29 coordinates: [ 0.484996610000000, 0.351732480000000, 0.755311460000000 ] mass: 6.941000 - symbol: Li # 30 coordinates: [ 0.515003390000000, 0.648267520000000, 0.755311460000000 ] mass: 6.941000 - symbol: Li # 31 coordinates: [ 0.984996610000000, 0.148267520000000, 0.744688540000000 ] mass: 6.941000 - symbol: Li # 32 coordinates: [ 0.015003390000000, 0.851732480000000, 0.744688540000000 ] mass: 6.941000 - symbol: Li # 33 coordinates: [ 0.515003390000000, 0.648267520000000, 0.244688540000000 ] mass: 6.941000 - symbol: Li # 34 coordinates: [ 0.484996610000000, 0.351732480000000, 0.244688540000000 ] mass: 6.941000 - symbol: Li # 35 coordinates: [ 0.015003390000000, 0.851732480000000, 0.255311460000000 ] mass: 6.941000 - symbol: Li # 36 coordinates: [ 0.984996610000000, 0.148267520000000, 0.255311460000000 ] mass: 6.941000 - symbol: Li # 37 coordinates: [ 0.264820540000000, 0.416509880000000, 0.000000000000000 ] mass: 6.941000 - symbol: Li # 38 coordinates: [ 0.735179460000000, 0.583490120000000, 0.000000000000000 ] mass: 6.941000 - symbol: Li # 39 coordinates: [ 0.764820540000000, 0.083490120000000, 0.500000000000000 ] mass: 6.941000 - symbol: Li # 40 coordinates: [ 0.235179460000000, 0.916509880000000, 0.500000000000000 ] mass: 6.941000 reciprocal_lattice: # without 2pi - [ 0.126311361236686, 0.000000000000000, 0.000000000000000 ] # a* - [ 0.000000000000000, 0.121676361218579, 0.000000000000000 ] # b* - [ 0.000000000000000, 0.000000000000000, 0.153827139155154 ] # c*unit_cell: lattice: - [ 7.916944210000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 8.218523220000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 6.500803470000000 ] # c points: - symbol: Ga # 1 coordinates: [ 0.774757400000000, 0.875850250000000, 0.000000000000000 ] mass: 69.723000 reduced_to: 1 - symbol: Ga # 2 coordinates: [ 0.225242600000000, 0.124149750000000, 0.000000000000000 ] mass: 69.723000 reduced_to: 2 - symbol: Ga # 3 coordinates: [ 0.274757400000000, 0.624149750000000, 0.500000000000000 ] mass: 69.723000 reduced_to: 3 - symbol: Ga # 4 coordinates: [ 0.725242600000000, 0.375850250000000, 0.500000000000000 ] mass: 69.723000 reduced_to: 4 - symbol: Na # 5 coordinates: [ 0.258673770000000, 0.752596100000000, 0.000000000000000 ] mass: 22.989769 reduced_to: 5 - symbol: Na # 6 coordinates: [ 0.741326230000000, 0.247403900000000, 0.000000000000000 ] mass: 22.989769 reduced_to: 6 - symbol: Na # 7 coordinates: [ 0.758673770000000, 0.747403900000000, 0.500000000000000 ] mass: 22.989769 reduced_to: 7 - symbol: Na # 8 coordinates: [ 0.241326230000000, 0.252596100000000, 0.500000000000000 ] mass: 22.989769 reduced_to: 8 - symbol: Na # 9 coordinates: [ 0.500000000000000, 0.000000000000000, 0.741209900000000 ] mass: 22.989769 reduced_to: 9 - symbol: Na # 10 coordinates: [ 0.000000000000000, 0.500000000000000, 0.758790100000000 ] mass: 22.989769 reduced_to: 10 - symbol: Na # 11 coordinates: [ 0.500000000000000, 0.000000000000000, 0.258790100000000 ] mass: 22.989769 reduced_to: 11 - symbol: Na # 12 coordinates: [ 0.000000000000000, 0.500000000000000, 0.241209900000000 ] mass: 22.989769 reduced_to: 12 - symbol: O # 13 coordinates: [ 0.563167640000000, 0.775017480000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 14 coordinates: [ 0.436832360000000, 0.224982520000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 14 - symbol: O # 15 coordinates: [ 0.063167640000000, 0.724982520000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 15 - symbol: O # 16 coordinates: [ 0.936832360000000, 0.275017480000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 16 - symbol: O # 17 coordinates: [ 0.803356630000000, 0.989576680000000, 0.757383140000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 18 coordinates: [ 0.196643370000000, 0.010423320000000, 0.757383140000000 ] mass: 15.999400 reduced_to: 18 - symbol: O # 19 coordinates: [ 0.303356630000000, 0.510423320000000, 0.742616860000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 20 coordinates: [ 0.696643370000000, 0.489576680000000, 0.742616860000000 ] mass: 15.999400 reduced_to: 20 - symbol: O # 21 coordinates: [ 0.196643370000000, 0.010423320000000, 0.242616860000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 22 coordinates: [ 0.803356630000000, 0.989576680000000, 0.242616860000000 ] mass: 15.999400 reduced_to: 22 - symbol: O # 23 coordinates: [ 0.696643370000000, 0.489576680000000, 0.257383140000000 ] mass: 15.999400 reduced_to: 23 - symbol: O # 24 coordinates: [ 0.303356630000000, 0.510423320000000, 0.257383140000000 ] mass: 15.999400 reduced_to: 24 - symbol: O # 25 coordinates: [ 0.951665040000000, 0.721992920000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 26 coordinates: [ 0.048334960000000, 0.278007080000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 26 - symbol: O # 27 coordinates: [ 0.451665040000000, 0.778007080000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 27 - symbol: O # 28 coordinates: [ 0.548334960000000, 0.221992920000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 28 - symbol: Li # 29 coordinates: [ 0.484996610000000, 0.351732480000000, 0.755311460000000 ] mass: 6.941000 reduced_to: 29 - symbol: Li # 30 coordinates: [ 0.515003390000000, 0.648267520000000, 0.755311460000000 ] mass: 6.941000 reduced_to: 30 - symbol: Li # 31 coordinates: [ 0.984996610000000, 0.148267520000000, 0.744688540000000 ] mass: 6.941000 reduced_to: 31 - symbol: Li # 32 coordinates: [ 0.015003390000000, 0.851732480000000, 0.744688540000000 ] mass: 6.941000 reduced_to: 32 - symbol: Li # 33 coordinates: [ 0.515003390000000, 0.648267520000000, 0.244688540000000 ] mass: 6.941000 reduced_to: 33 - symbol: Li # 34 coordinates: [ 0.484996610000000, 0.351732480000000, 0.244688540000000 ] mass: 6.941000 reduced_to: 34 - symbol: Li # 35 coordinates: [ 0.015003390000000, 0.851732480000000, 0.255311460000000 ] mass: 6.941000 reduced_to: 35 - symbol: Li # 36 coordinates: [ 0.984996610000000, 0.148267520000000, 0.255311460000000 ] mass: 6.941000 reduced_to: 36 - symbol: Li # 37 coordinates: [ 0.264820540000000, 0.416509880000000, 0.000000000000000 ] mass: 6.941000 reduced_to: 37 - symbol: Li # 38 coordinates: [ 0.735179460000000, 0.583490120000000, 0.000000000000000 ] mass: 6.941000 reduced_to: 38 - symbol: Li # 39 coordinates: [ 0.764820540000000, 0.083490120000000, 0.500000000000000 ] mass: 6.941000 reduced_to: 39 - symbol: Li # 40 coordinates: [ 0.235179460000000, 0.916509880000000, 0.500000000000000 ] mass: 6.941000 reduced_to: 40supercell: lattice: - [ 7.916944210000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 8.218523220000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 13.001606940000000 ] # c points: - symbol: Ga # 1 coordinates: [ 0.774757400000000, 0.875850250000000, 0.000000000000000 ] mass: 69.723000 reduced_to: 1 - symbol: Ga # 2 coordinates: [ 0.774757400000000, 0.875850250000000, 0.500000000000000 ] mass: 69.723000 reduced_to: 1 - symbol: Ga # 3 coordinates: [ 0.225242600000000, 0.124149750000000, 0.000000000000000 ] mass: 69.723000 reduced_to: 3 - symbol: Ga # 4 coordinates: [ 0.225242600000000, 0.124149750000000, 0.500000000000000 ] mass: 69.723000 reduced_to: 3 - symbol: Ga # 5 coordinates: [ 0.274757400000000, 0.624149750000000, 0.250000000000000 ] mass: 69.723000 reduced_to: 5 - symbol: Ga # 6 coordinates: [ 0.274757400000000, 0.624149750000000, 0.750000000000000 ] mass: 69.723000 reduced_to: 5 - symbol: Ga # 7 coordinates: [ 0.725242600000000, 0.375850250000000, 0.250000000000000 ] mass: 69.723000 reduced_to: 7 - symbol: Ga # 8 coordinates: [ 0.725242600000000, 0.375850250000000, 0.750000000000000 ] mass: 69.723000 reduced_to: 7 - symbol: Na # 9 coordinates: [ 0.258673770000000, 0.752596100000000, 0.000000000000000 ] mass: 22.989769 reduced_to: 9 - symbol: Na # 10 coordinates: [ 0.258673770000000, 0.752596100000000, 0.500000000000000 ] mass: 22.989769 reduced_to: 9 - symbol: Na # 11 coordinates: [ 0.741326230000000, 0.247403900000000, 0.000000000000000 ] mass: 22.989769 reduced_to: 11 - symbol: Na # 12 coordinates: [ 0.741326230000000, 0.247403900000000, 0.500000000000000 ] mass: 22.989769 reduced_to: 11 - symbol: Na # 13 coordinates: [ 0.758673770000000, 0.747403900000000, 0.250000000000000 ] mass: 22.989769 reduced_to: 13 - symbol: Na # 14 coordinates: [ 0.758673770000000, 0.747403900000000, 0.750000000000000 ] mass: 22.989769 reduced_to: 13 - symbol: Na # 15 coordinates: [ 0.241326230000000, 0.252596100000000, 0.250000000000000 ] mass: 22.989769 reduced_to: 15 - symbol: Na # 16 coordinates: [ 0.241326230000000, 0.252596100000000, 0.750000000000000 ] mass: 22.989769 reduced_to: 15 - symbol: Na # 17 coordinates: [ 0.500000000000000, 0.000000000000000, 0.370604950000000 ] mass: 22.989769 reduced_to: 17 - symbol: Na # 18 coordinates: [ 0.500000000000000, 0.000000000000000, 0.870604950000000 ] mass: 22.989769 reduced_to: 17 - symbol: Na # 19 coordinates: [ 0.000000000000000, 0.500000000000000, 0.379395050000000 ] mass: 22.989769 reduced_to: 19 - symbol: Na # 20 coordinates: [ 0.000000000000000, 0.500000000000000, 0.879395050000000 ] mass: 22.989769 reduced_to: 19 - symbol: Na # 21 coordinates: [ 0.500000000000000, 0.000000000000000, 0.129395050000000 ] mass: 22.989769 reduced_to: 21 - symbol: Na # 22 coordinates: [ 0.500000000000000, 0.000000000000000, 0.629395050000000 ] mass: 22.989769 reduced_to: 21 - symbol: Na # 23 coordinates: [ 0.000000000000000, 0.500000000000000, 0.120604950000000 ] mass: 22.989769 reduced_to: 23 - symbol: Na # 24 coordinates: [ 0.000000000000000, 0.500000000000000, 0.620604950000000 ] mass: 22.989769 reduced_to: 23 - symbol: O # 25 coordinates: [ 0.563167640000000, 0.775017480000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 26 coordinates: [ 0.563167640000000, 0.775017480000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 27 coordinates: [ 0.436832360000000, 0.224982520000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 27 - symbol: O # 28 coordinates: [ 0.436832360000000, 0.224982520000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 27 - symbol: O # 29 coordinates: [ 0.063167640000000, 0.724982520000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 29 - symbol: O # 30 coordinates: [ 0.063167640000000, 0.724982520000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 29 - symbol: O # 31 coordinates: [ 0.936832360000000, 0.275017480000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 31 - symbol: O # 32 coordinates: [ 0.936832360000000, 0.275017480000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 31 - symbol: O # 33 coordinates: [ 0.803356630000000, 0.989576680000000, 0.378691570000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 34 coordinates: [ 0.803356630000000, 0.989576680000000, 0.878691570000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 35 coordinates: [ 0.196643370000000, 0.010423320000000, 0.378691570000000 ] mass: 15.999400 reduced_to: 35 - symbol: O # 36 coordinates: [ 0.196643370000000, 0.010423320000000, 0.878691570000000 ] mass: 15.999400 reduced_to: 35 - symbol: O # 37 coordinates: [ 0.303356630000000, 0.510423320000000, 0.371308430000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 38 coordinates: [ 0.303356630000000, 0.510423320000000, 0.871308430000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 39 coordinates: [ 0.696643370000000, 0.489576680000000, 0.371308430000000 ] mass: 15.999400 reduced_to: 39 - symbol: O # 40 coordinates: [ 0.696643370000000, 0.489576680000000, 0.871308430000000 ] mass: 15.999400 reduced_to: 39 - symbol: O # 41 coordinates: [ 0.196643370000000, 0.010423320000000, 0.121308430000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 42 coordinates: [ 0.196643370000000, 0.010423320000000, 0.621308430000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 43 coordinates: [ 0.803356630000000, 0.989576680000000, 0.121308430000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 44 coordinates: [ 0.803356630000000, 0.989576680000000, 0.621308430000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 45 coordinates: [ 0.696643370000000, 0.489576680000000, 0.128691570000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 46 coordinates: [ 0.696643370000000, 0.489576680000000, 0.628691570000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 47 coordinates: [ 0.303356630000000, 0.510423320000000, 0.128691570000000 ] mass: 15.999400 reduced_to: 47 - symbol: O # 48 coordinates: [ 0.303356630000000, 0.510423320000000, 0.628691570000000 ] mass: 15.999400 reduced_to: 47 - symbol: O # 49 coordinates: [ 0.951665040000000, 0.721992920000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 50 coordinates: [ 0.951665040000000, 0.721992920000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 51 coordinates: [ 0.048334960000000, 0.278007080000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 51 - symbol: O # 52 coordinates: [ 0.048334960000000, 0.278007080000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 51 - symbol: O # 53 coordinates: [ 0.451665040000000, 0.778007080000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 54 coordinates: [ 0.451665040000000, 0.778007080000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 55 coordinates: [ 0.548334960000000, 0.221992920000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 56 coordinates: [ 0.548334960000000, 0.221992920000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 55 - symbol: Li # 57 coordinates: [ 0.484996610000000, 0.351732480000000, 0.377655730000000 ] mass: 6.941000 reduced_to: 57 - symbol: Li # 58 coordinates: [ 0.484996610000000, 0.351732480000000, 0.877655730000000 ] mass: 6.941000 reduced_to: 57 - symbol: Li # 59 coordinates: [ 0.515003390000000, 0.648267520000000, 0.377655730000000 ] mass: 6.941000 reduced_to: 59 - symbol: Li # 60 coordinates: [ 0.515003390000000, 0.648267520000000, 0.877655730000000 ] mass: 6.941000 reduced_to: 59 - symbol: Li # 61 coordinates: [ 0.984996610000000, 0.148267520000000, 0.372344270000000 ] mass: 6.941000 reduced_to: 61 - symbol: Li # 62 coordinates: [ 0.984996610000000, 0.148267520000000, 0.872344270000000 ] mass: 6.941000 reduced_to: 61 - symbol: Li # 63 coordinates: [ 0.015003390000000, 0.851732480000000, 0.372344270000000 ] mass: 6.941000 reduced_to: 63 - symbol: Li # 64 coordinates: [ 0.015003390000000, 0.851732480000000, 0.872344270000000 ] mass: 6.941000 reduced_to: 63 - symbol: Li # 65 coordinates: [ 0.515003390000000, 0.648267520000000, 0.122344270000000 ] mass: 6.941000 reduced_to: 65 - symbol: Li # 66 coordinates: [ 0.515003390000000, 0.648267520000000, 0.622344270000000 ] mass: 6.941000 reduced_to: 65 - symbol: Li # 67 coordinates: [ 0.484996610000000, 0.351732480000000, 0.122344270000000 ] mass: 6.941000 reduced_to: 67 - symbol: Li # 68 coordinates: [ 0.484996610000000, 0.351732480000000, 0.622344270000000 ] mass: 6.941000 reduced_to: 67 - symbol: Li # 69 coordinates: [ 0.015003390000000, 0.851732480000000, 0.127655730000000 ] mass: 6.941000 reduced_to: 69 - symbol: Li # 70 coordinates: [ 0.015003390000000, 0.851732480000000, 0.627655730000000 ] mass: 6.941000 reduced_to: 69 - symbol: Li # 71 coordinates: [ 0.984996610000000, 0.148267520000000, 0.127655730000000 ] mass: 6.941000 reduced_to: 71 - symbol: Li # 72 coordinates: [ 0.984996610000000, 0.148267520000000, 0.627655730000000 ] mass: 6.941000 reduced_to: 71 - symbol: Li # 73 coordinates: [ 0.264820540000000, 0.416509880000000, 0.000000000000000 ] mass: 6.941000 reduced_to: 73 - symbol: Li # 74 coordinates: [ 0.264820540000000, 0.416509880000000, 0.500000000000000 ] mass: 6.941000 reduced_to: 73 - symbol: Li # 75 coordinates: [ 0.735179460000000, 0.583490120000000, 0.000000000000000 ] mass: 6.941000 reduced_to: 75 - symbol: Li # 76 coordinates: [ 0.735179460000000, 0.583490120000000, 0.500000000000000 ] mass: 6.941000 reduced_to: 75 - symbol: Li # 77 coordinates: [ 0.764820540000000, 0.083490120000000, 0.250000000000000 ] mass: 6.941000 reduced_to: 77 - symbol: Li # 78 coordinates: [ 0.764820540000000, 0.083490120000000, 0.750000000000000 ] mass: 6.941000 reduced_to: 77 - symbol: Li # 79 coordinates: [ 0.235179460000000, 0.916509880000000, 0.250000000000000 ] mass: 6.941000 reduced_to: 79 - symbol: Li # 80 coordinates: [ 0.235179460000000, 0.916509880000000, 0.750000000000000 ] mass: 6.941000 reduced_to: 79displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.2171126400000000, -0.0027906400000000, 0.0000000000000000 ] - [ -0.0005526600000000, 0.0004697800000000, 0.0000000000000000 ] - [ 0.0078182800000000, 0.0006279800000000, 0.0000000000000000 ] - [ 0.0001540200000000, -0.0006116200000000, 0.0000000000000000 ] - [ 0.0036503200000000, -0.0005312200000000, -0.0004479400000000 ] - [ 0.0036503200000000, -0.0005312200000000, 0.0004479400000000 ] - [ -0.0006148900000000, 0.0013844100000000, -0.0004517600000000 ] - [ -0.0006148900000000, 0.0013844100000000, 0.0004517600000000 ] - [ 0.0103378400000000, -0.0001759900000000, 0.0000000000000000 ] - [ 0.0005390000000000, -0.0004941300000000, 0.0000000000000000 ] - [ -0.0034921800000000, -0.0007451900000000, 0.0000000000000000 ] - [ -0.0003083500000000, 0.0005605500000000, 0.0000000000000000 ] - [ -0.0022304300000000, 0.0003976900000000, -0.0003212800000000 ] - [ -0.0022304300000000, 0.0003976900000000, 0.0003212800000000 ] - [ 0.0000389400000000, -0.0003072600000000, 0.0000870700000000 ] - [ 0.0000389400000000, -0.0003072600000000, -0.0000870700000000 ] - [ -0.0001312000000000, -0.0002704900000000, -0.0000044900000000 ] - [ 0.0073114700000000, -0.0072514500000000, 0.0104617600000000 ] - [ -0.0000295100000000, -0.0001945800000000, 0.0000180300000000 ] - [ 0.0005987500000000, -0.0029090400000000, -0.0028531600000000 ] - [ 0.0073114700000000, -0.0072514500000000, -0.0104617600000000 ] - [ -0.0001312000000000, -0.0002704900000000, 0.0000044900000000 ] - [ 0.0005987500000000, -0.0029090400000000, 0.0028531600000000 ] - [ -0.0000295100000000, -0.0001945800000000, -0.0000180300000000 ] - [ 0.0864189700000000, 0.0339860400000000, 0.0000000000000000 ] - [ 0.0008041600000000, 0.0007219800000000, 0.0000000000000000 ] - [ -0.0041895800000000, 0.0017796200000000, 0.0000000000000000 ] - [ -0.0004949500000000, -0.0006709000000000, 0.0000000000000000 ] - [ -0.0020301700000000, 0.0000577300000000, -0.0031780400000000 ] - [ -0.0020301700000000, 0.0000577300000000, 0.0031780400000000 ] - [ 0.0001690200000000, 0.0003574600000000, -0.0003739900000000 ] - [ 0.0001690200000000, 0.0003574600000000, 0.0003739900000000 ] - [ 0.0002746300000000, -0.0000338500000000, 0.0001015800000000 ] - [ 0.0190983500000000, 0.0062526000000000, -0.0109588900000000 ] - [ -0.0004101100000000, 0.0000067200000000, 0.0003220200000000 ] - [ -0.0056414100000000, -0.0014283300000000, 0.0019740100000000 ] - [ -0.0005430300000000, -0.0001754500000000, -0.0002148600000000 ] - [ -0.0038523300000000, -0.0009701700000000, -0.0015911200000000 ] - [ 0.0002056900000000, -0.0001575900000000, -0.0002079000000000 ] - [ 0.0043717300000000, -0.0023392300000000, -0.0019661000000000 ] - [ -0.0056414100000000, -0.0014283300000000, -0.0019740100000000 ] - [ -0.0004101100000000, 0.0000067200000000, -0.0003220200000000 ] - [ 0.0190983500000000, 0.0062526000000000, 0.0109588900000000 ] - [ 0.0002746300000000, -0.0000338500000000, -0.0001015800000000 ] - [ 0.0043717300000000, -0.0023392300000000, 0.0019661000000000 ] - [ 0.0002056900000000, -0.0001575900000000, 0.0002079000000000 ] - [ -0.0038523300000000, -0.0009701700000000, 0.0015911200000000 ] - [ -0.0005430300000000, -0.0001754500000000, 0.0002148600000000 ] - [ 0.0625723200000000, -0.0401363500000000, 0.0000000000000000 ] - [ 0.0007416200000000, -0.0003428500000000, 0.0000000000000000 ] - [ -0.0030900700000000, 0.0007246500000000, 0.0000000000000000 ] - [ -0.0006139600000000, 0.0003366400000000, 0.0000000000000000 ] - [ -0.0016546600000000, -0.0002195700000000, 0.0036336600000000 ] - [ -0.0016546600000000, -0.0002195700000000, -0.0036336600000000 ] - [ 0.0000321800000000, -0.0006560500000000, 0.0002276500000000 ] - [ 0.0000321800000000, -0.0006560500000000, -0.0002276500000000 ] - [ 0.0001049200000000, 0.0001646300000000, 0.0000182400000000 ] - [ 0.0000815500000000, 0.0004954700000000, 0.0009507000000000 ] - [ -0.0002506300000000, 0.0001651400000000, -0.0003009100000000 ] - [ 0.0025240100000000, 0.0053803900000000, 0.0066807700000000 ] - [ 0.0001423300000000, -0.0000775400000000, -0.0000023200000000 ] - [ 0.0009719000000000, 0.0020389600000000, -0.0028041200000000 ] - [ -0.0001274600000000, 0.0003323300000000, 0.0002342500000000 ] - [ 0.0126270500000000, 0.0007941800000000, -0.0180291800000000 ] - [ 0.0025240100000000, 0.0053803900000000, -0.0066807700000000 ] - [ -0.0002506300000000, 0.0001651400000000, 0.0003009100000000 ] - [ 0.0000815500000000, 0.0004954700000000, -0.0009507000000000 ] - [ 0.0001049200000000, 0.0001646300000000, -0.0000182400000000 ] - [ 0.0126270500000000, 0.0007941800000000, 0.0180291800000000 ] - [ -0.0001274600000000, 0.0003323300000000, -0.0002342500000000 ] - [ 0.0009719000000000, 0.0020389600000000, 0.0028041200000000 ] - [ 0.0001423300000000, -0.0000775400000000, 0.0000023200000000 ] - [ 0.0030655900000000, -0.0002555700000000, 0.0000000000000000 ] - [ 0.0003562800000000, 0.0000329100000000, 0.0000000000000000 ] - [ -0.0143919700000000, 0.0068211600000000, 0.0000000000000000 ] - [ -0.0004488100000000, -0.0000332400000000, 0.0000000000000000 ] - [ 0.0004673500000000, -0.0000522900000000, 0.0000975900000000 ] - [ 0.0004673500000000, -0.0000522900000000, -0.0000975900000000 ] - [ 0.0007891700000000, -0.0001559700000000, 0.0002766400000000 ] - [ 0.0007891700000000, -0.0001559700000000, -0.0002766400000000 ]- atom: 1 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.2200175000000000, 0.0102467600000000, 0.0000000000000000 ] - [ 0.0005136500000000, 0.0009156500000000, 0.0000000000000000 ] - [ -0.0077815000000000, -0.0019662900000000, 0.0000000000000000 ] - [ -0.0001152500000000, -0.0007634700000000, 0.0000000000000000 ] - [ -0.0036952600000000, -0.0008680100000000, 0.0004407200000000 ] - [ -0.0036952600000000, -0.0008680100000000, -0.0004407200000000 ] - [ 0.0006634800000000, -0.0000026900000000, 0.0004471700000000 ] - [ 0.0006634800000000, -0.0000026900000000, -0.0004471700000000 ] - [ -0.0098482900000000, -0.0008212700000000, 0.0000000000000000 ] - [ -0.0000564400000000, -0.0004639900000000, 0.0000000000000000 ] - [ 0.0030285200000000, 0.0016464700000000, 0.0000000000000000 ] - [ -0.0001704000000000, 0.0003956300000000, 0.0000000000000000 ] - [ 0.0027172100000000, 0.0005680800000000, 0.0003050000000000 ] - [ 0.0027172100000000, 0.0005680800000000, -0.0003050000000000 ] - [ -0.0005200800000000, -0.0006441000000000, -0.0000827600000000 ] - [ -0.0005200800000000, -0.0006441000000000, 0.0000827600000000 ] - [ 0.0001351700000000, 0.0002709000000000, 0.0003509600000000 ] - [ -0.0073821000000000, 0.0073306500000000, -0.0102453200000000 ] - [ 0.0000299400000000, 0.0001930400000000, -0.0003632500000000 ] - [ -0.0005927900000000, 0.0029035400000000, 0.0025068900000000 ] - [ -0.0073821000000000, 0.0073306500000000, 0.0102453200000000 ] - [ 0.0001351700000000, 0.0002709000000000, -0.0003509600000000 ] - [ -0.0005927900000000, 0.0029035400000000, -0.0025068900000000 ] - [ 0.0000299400000000, 0.0001930400000000, 0.0003632500000000 ] - [ -0.0906267900000000, -0.0357036200000000, 0.0000000000000000 ] - [ -0.0000168100000000, 0.0004500400000000, 0.0000000000000000 ] - [ 0.0033853300000000, -0.0029985000000000, 0.0000000000000000 ] - [ -0.0003163200000000, -0.0005162900000000, 0.0000000000000000 ] - [ 0.0028447500000000, -0.0012349400000000, 0.0031674100000000 ] - [ 0.0028447500000000, -0.0012349400000000, -0.0031674100000000 ] - [ -0.0009534500000000, 0.0008260000000000, 0.0003848900000000 ] - [ -0.0009534500000000, 0.0008260000000000, -0.0003848900000000 ] - [ -0.0001178600000000, -0.0000395500000000, 0.0008090900000000 ] - [ -0.0191521200000000, -0.0066269600000000, 0.0123707900000000 ] - [ 0.0002591100000000, 0.0000759800000000, 0.0005919200000000 ] - [ 0.0054761000000000, 0.0014836800000000, -0.0010379800000000 ] - [ 0.0006982200000000, 0.0002642800000000, -0.0007031100000000 ] - [ 0.0040089200000000, 0.0010425700000000, 0.0006538400000000 ] - [ -0.0003636000000000, 0.0000836100000000, -0.0006942000000000 ] - [ -0.0045332700000000, 0.0022695300000000, 0.0010690700000000 ] - [ 0.0054761000000000, 0.0014836800000000, 0.0010379800000000 ] - [ 0.0002591100000000, 0.0000759800000000, -0.0005919200000000 ] - [ -0.0191521200000000, -0.0066269600000000, -0.0123707900000000 ] - [ -0.0001178600000000, -0.0000395500000000, -0.0008090900000000 ] - [ -0.0045332700000000, 0.0022695300000000, -0.0010690700000000 ] - [ -0.0003636000000000, 0.0000836100000000, 0.0006942000000000 ] - [ 0.0040089200000000, 0.0010425700000000, -0.0006538400000000 ] - [ 0.0006982200000000, 0.0002642800000000, 0.0007031100000000 ] - [ -0.0591784600000000, 0.0367511500000000, 0.0000000000000000 ] - [ 0.0003239500000000, -0.0004371100000000, 0.0000000000000000 ] - [ 0.0020670600000000, 0.0000275600000000, 0.0000000000000000 ] - [ -0.0004307800000000, 0.0004296000000000, 0.0000000000000000 ] - [ 0.0027045900000000, 0.0009979900000000, -0.0036445100000000 ] - [ 0.0027045900000000, 0.0009979900000000, 0.0036445100000000 ] - [ -0.0011033000000000, -0.0001251000000000, -0.0002286400000000 ] - [ -0.0011033000000000, -0.0001251000000000, 0.0002286400000000 ] - [ 0.0000764500000000, 0.0000496700000000, 0.0001262600000000 ] - [ 0.0001043200000000, -0.0002789800000000, -0.0008120200000000 ] - [ 0.0000738200000000, -0.0003787600000000, 0.0004469500000000 ] - [ -0.0027299100000000, -0.0056231500000000, -0.0065506400000000 ] - [ 0.0000370400000000, -0.0001321400000000, -0.0001405600000000 ] - [ -0.0008106700000000, -0.0022345000000000, 0.0026576500000000 ] - [ -0.0000556000000000, -0.0001185600000000, -0.0003765400000000 ] - [ -0.0126859900000000, -0.0006293300000000, 0.0176276900000000 ] - [ -0.0027299100000000, -0.0056231500000000, 0.0065506400000000 ] - [ 0.0000738200000000, -0.0003787600000000, -0.0004469500000000 ] - [ 0.0001043200000000, -0.0002789800000000, 0.0008120200000000 ] - [ 0.0000764500000000, 0.0000496700000000, -0.0001262600000000 ] - [ -0.0126859900000000, -0.0006293300000000, -0.0176276900000000 ] - [ -0.0000556000000000, -0.0001185600000000, 0.0003765400000000 ] - [ -0.0008106700000000, -0.0022345000000000, -0.0026576500000000 ] - [ 0.0000370400000000, -0.0001321400000000, 0.0001405600000000 ] - [ -0.0024657800000000, 0.0002750100000000, 0.0000000000000000 ] - [ 0.0002502300000000, -0.0000318500000000, 0.0000000000000000 ] - [ 0.0138427200000000, -0.0067113700000000, 0.0000000000000000 ] - [ -0.0001579000000000, 0.0000333500000000, 0.0000000000000000 ] - [ 0.0001328100000000, 0.0000503600000000, -0.0000931200000000 ] - [ 0.0001328100000000, 0.0000503600000000, 0.0000931200000000 ] - [ -0.0013980600000000, 0.0001481700000000, -0.0002667400000000 ] - [ -0.0013980600000000, 0.0001481700000000, 0.0002667400000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0072434600000000, -0.2067503500000000, 0.0000000000000000 ] - [ -0.0002472100000000, -0.0010002800000000, 0.0000000000000000 ] - [ 0.0013249700000000, -0.0034865100000000, 0.0000000000000000 ] - [ 0.0001010500000000, -0.0006416300000000, 0.0000000000000000 ] - [ -0.0001876300000000, -0.0008701500000000, -0.0023343500000000 ] - [ -0.0001876300000000, -0.0008701500000000, 0.0023343500000000 ] - [ -0.0006644000000000, 0.0044649700000000, -0.0027252600000000 ] - [ -0.0006644000000000, 0.0044649700000000, 0.0027252600000000 ] - [ -0.0009558400000000, -0.0012533000000000, 0.0000000000000000 ] - [ 0.0002542000000000, -0.0006494700000000, 0.0000000000000000 ] - [ -0.0018835700000000, 0.0162163800000000, 0.0000000000000000 ] - [ -0.0003293200000000, 0.0009447800000000, 0.0000000000000000 ] - [ 0.0000831500000000, -0.0024418300000000, -0.0024143100000000 ] - [ 0.0000831500000000, -0.0024418300000000, 0.0024143100000000 ] - [ -0.0001078800000000, 0.0000112700000000, -0.0000155400000000 ] - [ -0.0001078800000000, 0.0000112700000000, 0.0000155400000000 ] - [ -0.0005731400000000, -0.0001913300000000, 0.0004271900000000 ] - [ -0.0068827900000000, -0.0024601700000000, -0.0024170200000000 ] - [ 0.0000907000000000, 0.0002368100000000, -0.0004055500000000 ] - [ -0.0011682100000000, 0.0040741700000000, 0.0022473200000000 ] - [ -0.0068827900000000, -0.0024601700000000, 0.0024170200000000 ] - [ -0.0005731400000000, -0.0001913300000000, -0.0004271900000000 ] - [ -0.0011682100000000, 0.0040741700000000, -0.0022473200000000 ] - [ 0.0000907000000000, 0.0002368100000000, 0.0004055500000000 ] - [ 0.0352752500000000, 0.0365063000000000, 0.0000000000000000 ] - [ 0.0010334500000000, 0.0012456200000000, 0.0000000000000000 ] - [ 0.0027766300000000, -0.0029209200000000, 0.0000000000000000 ] - [ -0.0002065100000000, -0.0008862400000000, 0.0000000000000000 ] - [ 0.0000036500000000, 0.0011956600000000, 0.0025611900000000 ] - [ 0.0000036500000000, 0.0011956600000000, -0.0025611900000000 ] - [ -0.0002968400000000, -0.0025391400000000, -0.0004728400000000 ] - [ -0.0002968400000000, -0.0025391400000000, 0.0004728400000000 ] - [ 0.0000720600000000, 0.0002128200000000, -0.0015841400000000 ] - [ 0.0060163800000000, 0.0443549900000000, -0.0452119700000000 ] - [ -0.0003890300000000, 0.0003297500000000, 0.0005198000000000 ] - [ -0.0024873800000000, 0.0032845300000000, -0.0005572300000000 ] - [ 0.0001296300000000, -0.0003152000000000, 0.0002131900000000 ] - [ 0.0002760300000000, -0.0023341800000000, -0.0025844200000000 ] - [ 0.0000460700000000, -0.0005064600000000, 0.0002368100000000 ] - [ -0.0012474100000000, -0.0069077300000000, -0.0053596200000000 ] - [ -0.0024873800000000, 0.0032845300000000, 0.0005572300000000 ] - [ -0.0003890300000000, 0.0003297500000000, -0.0005198000000000 ] - [ 0.0060163800000000, 0.0443549900000000, 0.0452119700000000 ] - [ 0.0000720600000000, 0.0002128200000000, 0.0015841400000000 ] - [ -0.0012474100000000, -0.0069077300000000, 0.0053596200000000 ] - [ 0.0000460700000000, -0.0005064600000000, -0.0002368100000000 ] - [ 0.0002760300000000, -0.0023341800000000, 0.0025844200000000 ] - [ 0.0001296300000000, -0.0003152000000000, -0.0002131900000000 ] - [ -0.0366019500000000, 0.0524814500000000, 0.0000000000000000 ] - [ 0.0000291800000000, 0.0003511600000000, 0.0000000000000000 ] - [ -0.0036804900000000, -0.0047859100000000, 0.0000000000000000 ] - [ -0.0008403000000000, 0.0001062100000000, 0.0000000000000000 ] - [ 0.0011274000000000, 0.0017645700000000, 0.0018224500000000 ] - [ 0.0011274000000000, 0.0017645700000000, -0.0018224500000000 ] - [ 0.0000847500000000, -0.0034775900000000, -0.0005186600000000 ] - [ 0.0000847500000000, -0.0034775900000000, 0.0005186600000000 ] - [ -0.0000086200000000, 0.0004428300000000, 0.0000963700000000 ] - [ 0.0001979300000000, 0.0020936900000000, -0.0003450200000000 ] - [ -0.0002704000000000, -0.0002039800000000, -0.0002395700000000 ] - [ 0.0024065600000000, 0.0021916700000000, 0.0039159600000000 ] - [ 0.0005100600000000, 0.0002260900000000, 0.0002515900000000 ] - [ 0.0045960000000000, 0.0041990800000000, -0.0029064700000000 ] - [ 0.0005520300000000, -0.0005206200000000, 0.0000459900000000 ] - [ 0.0007921400000000, -0.0094971100000000, 0.0051565400000000 ] - [ 0.0024065600000000, 0.0021916700000000, -0.0039159600000000 ] - [ -0.0002704000000000, -0.0002039800000000, 0.0002395700000000 ] - [ 0.0001979300000000, 0.0020936900000000, 0.0003450200000000 ] - [ -0.0000086200000000, 0.0004428300000000, -0.0000963700000000 ] - [ 0.0007921400000000, -0.0094971100000000, -0.0051565400000000 ] - [ 0.0005520300000000, -0.0005206200000000, -0.0000459900000000 ] - [ 0.0045960000000000, 0.0041990800000000, 0.0029064700000000 ] - [ 0.0005100600000000, 0.0002260900000000, -0.0002515900000000 ] - [ -0.0000564400000000, 0.0027119500000000, 0.0000000000000000 ] - [ 0.0003801400000000, 0.0002175200000000, 0.0000000000000000 ] - [ 0.0065240900000000, 0.0341693700000000, 0.0000000000000000 ] - [ -0.0003642100000000, -0.0001955800000000, 0.0000000000000000 ] - [ -0.0003253900000000, 0.0026677300000000, 0.0033376500000000 ] - [ -0.0003253900000000, 0.0026677300000000, -0.0033376500000000 ] - [ -0.0000202600000000, -0.0006754100000000, -0.0000857200000000 ] - [ -0.0000202600000000, -0.0006754100000000, 0.0000857200000000 ]- atom: 1 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0057600000000000, 0.2096615700000000, 0.0000000000000000 ] - [ 0.0002090900000000, 0.0023811500000000, 0.0000000000000000 ] - [ -0.0012765900000000, 0.0020536900000000, 0.0000000000000000 ] - [ -0.0000600200000000, -0.0007397300000000, 0.0000000000000000 ] - [ 0.0001461900000000, -0.0005113500000000, 0.0023302800000000 ] - [ 0.0001461900000000, -0.0005113500000000, -0.0023302800000000 ] - [ 0.0007170500000000, -0.0031019200000000, 0.0027608900000000 ] - [ 0.0007170500000000, -0.0031019200000000, -0.0027608900000000 ] - [ 0.0014365300000000, 0.0002906700000000, 0.0000000000000000 ] - [ 0.0002276300000000, -0.0003102200000000, 0.0000000000000000 ] - [ 0.0013711400000000, -0.0150378400000000, 0.0000000000000000 ] - [ -0.0001522300000000, 0.0000086800000000, 0.0000000000000000 ] - [ 0.0003969400000000, 0.0034150400000000, 0.0024127100000000 ] - [ 0.0003969400000000, 0.0034150400000000, -0.0024127100000000 ] - [ -0.0003729400000000, -0.0009720000000000, 0.0000189000000000 ] - [ -0.0003729400000000, -0.0009720000000000, -0.0000189000000000 ] - [ 0.0005746400000000, 0.0001874700000000, -0.0000826600000000 ] - [ 0.0068829900000000, 0.0024115400000000, 0.0027617000000000 ] - [ -0.0000888100000000, -0.0002366100000000, 0.0000598300000000 ] - [ 0.0011920500000000, -0.0040779500000000, -0.0026022000000000 ] - [ 0.0068829900000000, 0.0024115400000000, -0.0027617000000000 ] - [ 0.0005746400000000, 0.0001874700000000, 0.0000826600000000 ] - [ 0.0011920500000000, -0.0040779500000000, 0.0026022000000000 ] - [ -0.0000888100000000, -0.0002366100000000, -0.0000598300000000 ] - [ -0.0354636200000000, -0.0353868300000000, 0.0000000000000000 ] - [ -0.0002296800000000, -0.0000693900000000, 0.0000000000000000 ] - [ -0.0035280000000000, 0.0017484600000000, 0.0000000000000000 ] - [ -0.0005782200000000, -0.0002879400000000, 0.0000000000000000 ] - [ 0.0008052800000000, -0.0023880100000000, -0.0025588400000000 ] - [ 0.0008052800000000, -0.0023880100000000, 0.0025588400000000 ] - [ -0.0005036000000000, 0.0037336400000000, 0.0004675500000000 ] - [ -0.0005036000000000, 0.0037336400000000, -0.0004675500000000 ] - [ 0.0000784900000000, -0.0002901700000000, 0.0024998400000000 ] - [ -0.0056606200000000, -0.0441320900000000, 0.0445922300000000 ] - [ 0.0002356500000000, -0.0002566700000000, 0.0003751200000000 ] - [ 0.0023393500000000, -0.0031895600000000, 0.0014559100000000 ] - [ 0.0000256000000000, 0.0003945100000000, -0.0011249500000000 ] - [ -0.0001165800000000, 0.0023943700000000, 0.0016614000000000 ] - [ -0.0002001800000000, 0.0004284600000000, -0.0011475800000000 ] - [ 0.0011114300000000, 0.0068675400000000, 0.0045240700000000 ] - [ 0.0023393500000000, -0.0031895600000000, -0.0014559100000000 ] - [ 0.0002356500000000, -0.0002566700000000, -0.0003751200000000 ] - [ -0.0056606200000000, -0.0441320900000000, -0.0445922300000000 ] - [ 0.0000784900000000, -0.0002901700000000, -0.0024998400000000 ] - [ 0.0011114300000000, 0.0068675400000000, -0.0045240700000000 ] - [ -0.0002001800000000, 0.0004284600000000, 0.0011475800000000 ] - [ -0.0001165800000000, 0.0023943700000000, -0.0016614000000000 ] - [ 0.0000256000000000, 0.0003945100000000, 0.0011249500000000 ] - [ 0.0399303600000000, -0.0547668000000000, 0.0000000000000000 ] - [ 0.0010257500000000, -0.0011311800000000, 0.0000000000000000 ] - [ 0.0025622600000000, 0.0055514600000000, 0.0000000000000000 ] - [ -0.0002317000000000, 0.0006820400000000, 0.0000000000000000 ] - [ -0.0000787500000000, -0.0009995700000000, -0.0018114200000000 ] - [ -0.0000787500000000, -0.0009995700000000, 0.0018114200000000 ] - [ -0.0011463400000000, 0.0027083700000000, 0.0005080400000000 ] - [ -0.0011463400000000, 0.0027083700000000, -0.0005080400000000 ] - [ 0.0001884400000000, -0.0002335400000000, 0.0000443800000000 ] - [ -0.0000291900000000, -0.0018806300000000, 0.0004808500000000 ] - [ 0.0000850800000000, -0.0000044800000000, 0.0003779300000000 ] - [ -0.0026189700000000, -0.0023896200000000, -0.0037848600000000 ] - [ -0.0003292700000000, -0.0004427600000000, -0.0003921000000000 ] - [ -0.0043866100000000, -0.0044098100000000, 0.0027247900000000 ] - [ -0.0007347900000000, 0.0007305700000000, -0.0001901900000000 ] - [ -0.0010485200000000, 0.0097283800000000, -0.0052229500000000 ] - [ -0.0026189700000000, -0.0023896200000000, 0.0037848600000000 ] - [ 0.0000850800000000, -0.0000044800000000, -0.0003779300000000 ] - [ -0.0000291900000000, -0.0018806300000000, -0.0004808500000000 ] - [ 0.0001884400000000, -0.0002335400000000, -0.0000443800000000 ] - [ -0.0010485200000000, 0.0097283800000000, 0.0052229500000000 ] - [ -0.0007347900000000, 0.0007305700000000, 0.0001901900000000 ] - [ -0.0043866100000000, -0.0044098100000000, -0.0027247900000000 ] - [ -0.0003292700000000, -0.0004427600000000, 0.0003921000000000 ] - [ 0.0006582900000000, -0.0026925500000000, 0.0000000000000000 ] - [ 0.0002181900000000, -0.0002192200000000, 0.0000000000000000 ] - [ -0.0072610500000000, -0.0348973300000000, 0.0000000000000000 ] - [ -0.0002388300000000, 0.0001961900000000, 0.0000000000000000 ] - [ 0.0009298300000000, -0.0026730700000000, -0.0033229200000000 ] - [ 0.0009298300000000, -0.0026730700000000, 0.0033229200000000 ] - [ -0.0005835100000000, 0.0006724900000000, 0.0000846700000000 ] - [ -0.0005835100000000, 0.0006724900000000, -0.0000846700000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0010670700000000, -0.0030016400000000, -0.2538468300000000 ] - [ -0.0000244300000000, 0.0006907000000000, 0.0054131100000000 ] - [ 0.0000202900000000, -0.0006937800000000, -0.0076407500000000 ] - [ 0.0000221100000000, -0.0006924000000000, 0.0034278500000000 ] - [ 0.0004230900000000, -0.0030351200000000, -0.0005261200000000 ] - [ -0.0004677200000000, 0.0016306700000000, -0.0005091100000000 ] - [ -0.0004235400000000, 0.0034294400000000, 0.0023870300000000 ] - [ 0.0004754300000000, -0.0020555800000000, 0.0023955600000000 ] - [ 0.0002386400000000, -0.0004793900000000, -0.0017036200000000 ] - [ 0.0002409400000000, -0.0004790300000000, 0.0015877500000000 ] - [ -0.0002407900000000, 0.0004660900000000, -0.0082351200000000 ] - [ -0.0002410500000000, 0.0004792200000000, 0.0019302200000000 ] - [ -0.0001743600000000, -0.0035605100000000, 0.0071811300000000 ] - [ 0.0006523800000000, 0.0044765600000000, 0.0070965400000000 ] - [ -0.0001280900000000, -0.0002314900000000, 0.0002487100000000 ] - [ -0.0003540800000000, -0.0007277100000000, 0.0002507900000000 ] - [ -0.0005641500000000, 0.0000056300000000, 0.0020802900000000 ] - [ 0.0103890000000000, -0.0031728800000000, 0.0017652400000000 ] - [ 0.0001211400000000, 0.0000212300000000, 0.0012095200000000 ] - [ -0.0010810800000000, 0.0005300600000000, -0.0014261300000000 ] - [ -0.0104627700000000, 0.0032112700000000, 0.0014053200000000 ] - [ 0.0005633800000000, -0.0000032200000000, 0.0017353800000000 ] - [ 0.0010814700000000, -0.0005342200000000, -0.0010936600000000 ] - [ -0.0001216700000000, -0.0000242400000000, 0.0015542500000000 ] - [ 0.0006675500000000, 0.0007192400000000, 0.0201762600000000 ] - [ 0.0003945800000000, 0.0005820000000000, -0.0026781500000000 ] - [ -0.0003958300000000, -0.0005813100000000, 0.0048645100000000 ] - [ -0.0003985300000000, -0.0005848000000000, -0.0025103100000000 ] - [ -0.0023053100000000, 0.0015721200000000, -0.0014654500000000 ] - [ 0.0030829300000000, -0.0027305800000000, -0.0014611000000000 ] - [ -0.0020284000000000, -0.0027067400000000, -0.0027980000000000 ] - [ 0.0012411500000000, 0.0038853200000000, -0.0028075300000000 ] - [ 0.0000187300000000, 0.0004620800000000, -0.0055677400000000 ] - [ -0.0106928400000000, -0.0451833000000000, 0.0950628800000000 ] - [ -0.0003325000000000, -0.0005589100000000, -0.0022874100000000 ] - [ 0.0041216300000000, 0.0014619600000000, 0.0039483500000000 ] - [ 0.0000272900000000, 0.0008855500000000, -0.0026627400000000 ] - [ -0.0002330200000000, -0.0003352700000000, 0.0019069200000000 ] - [ 0.0000731500000000, -0.0006276300000000, -0.0031729400000000 ] - [ -0.0007530600000000, -0.0013666500000000, 0.0012651500000000 ] - [ -0.0042887200000000, -0.0013928000000000, 0.0030723900000000 ] - [ 0.0001766300000000, 0.0006321200000000, -0.0031909700000000 ] - [ 0.0116762900000000, 0.0484279500000000, 0.0988272200000000 ] - [ 0.0001385800000000, -0.0005418300000000, -0.0064577400000000 ] - [ 0.0005962200000000, 0.0012947800000000, 0.0021831500000000 ] - [ -0.0002331300000000, 0.0005580900000000, -0.0022809300000000 ] - [ 0.0003913100000000, 0.0004119200000000, 0.0028248600000000 ] - [ 0.0001326900000000, -0.0008036300000000, -0.0017620500000000 ] - [ 0.0003377900000000, -0.0002219600000000, 0.0209586600000000 ] - [ 0.0005290400000000, -0.0003899900000000, -0.0026624400000000 ] - [ -0.0005323500000000, 0.0003885900000000, 0.0052919700000000 ] - [ -0.0005275000000000, 0.0003854200000000, -0.0025008500000000 ] - [ 0.0031726000000000, 0.0022609500000000, -0.0013230700000000 ] - [ -0.0020962800000000, -0.0014722600000000, -0.0013192800000000 ] - [ 0.0017081300000000, -0.0030832500000000, -0.0026178000000000 ] - [ -0.0027709900000000, 0.0022985300000000, -0.0026208300000000 ] - [ -0.0002014500000000, 0.0001299200000000, 0.0013963300000000 ] - [ 0.0012289800000000, -0.0004506000000000, -0.0012246400000000 ] - [ -0.0001279300000000, -0.0001045000000000, 0.0014149100000000 ] - [ 0.0034597300000000, 0.0023567000000000, -0.0007863100000000 ] - [ 0.0006418900000000, -0.0000216400000000, 0.0016124500000000 ] - [ -0.0054029700000000, -0.0051819800000000, -0.0007374700000000 ] - [ 0.0002934300000000, 0.0000006300000000, 0.0017029200000000 ] - [ -0.0179817300000000, 0.0046657500000000, 0.0062670700000000 ] - [ -0.0036520600000000, -0.0025896300000000, -0.0009468900000000 ] - [ -0.0000533600000000, -0.0001080000000000, 0.0012712800000000 ] - [ -0.0010499600000000, 0.0006632600000000, -0.0013709900000000 ] - [ 0.0003842900000000, 0.0000770500000000, 0.0012571700000000 ] - [ 0.0180041700000000, -0.0044636400000000, 0.0064383400000000 ] - [ -0.0004736800000000, 0.0002141100000000, 0.0018454500000000 ] - [ 0.0055909700000000, 0.0049838100000000, -0.0005883900000000 ] - [ -0.0004594400000000, -0.0001895900000000, 0.0017604700000000 ] - [ 0.0002976500000000, 0.0000022800000000, -0.0012137300000000 ] - [ 0.0003004500000000, -0.0000021500000000, 0.0014711600000000 ] - [ -0.0002865800000000, 0.0000873800000000, -0.0088553300000000 ] - [ -0.0002998700000000, 0.0000004600000000, 0.0016774900000000 ] - [ -0.0000460200000000, 0.0026750200000000, 0.0066228400000000 ] - [ 0.0006672500000000, -0.0026484900000000, 0.0065987500000000 ] - [ -0.0001546200000000, 0.0003283100000000, 0.0007310500000000 ] - [ -0.0004540100000000, -0.0003198800000000, 0.0007337400000000 ]- atom: 9 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0100681300000000, -0.0005250300000000, 0.0000000000000000 ] - [ 0.0002835400000000, 0.0006960000000000, 0.0000000000000000 ] - [ -0.0032359900000000, -0.0023379800000000, 0.0000000000000000 ] - [ -0.0000542300000000, -0.0007729000000000, 0.0000000000000000 ] - [ -0.0024909800000000, -0.0005318900000000, 0.0003998000000000 ] - [ -0.0024909800000000, -0.0005318900000000, -0.0003998000000000 ] - [ 0.0003003700000000, 0.0005536900000000, 0.0001148000000000 ] - [ 0.0003003700000000, 0.0005536900000000, -0.0001148000000000 ] - [ -0.0366367800000000, 0.0019122200000000, 0.0000000000000000 ] - [ 0.0000644100000000, -0.0004578700000000, 0.0000000000000000 ] - [ 0.0001614300000000, 0.0005518600000000, 0.0000000000000000 ] - [ -0.0002134200000000, 0.0004664900000000, 0.0000000000000000 ] - [ 0.0009817000000000, 0.0004434200000000, -0.0000231100000000 ] - [ 0.0009817000000000, 0.0004434200000000, 0.0000231100000000 ] - [ -0.0003370700000000, -0.0006571000000000, -0.0000735600000000 ] - [ -0.0003370700000000, -0.0006571000000000, 0.0000735600000000 ] - [ -0.0000020100000000, 0.0001592200000000, 0.0002749600000000 ] - [ 0.0010525300000000, 0.0026698300000000, -0.0019410300000000 ] - [ 0.0000015700000000, 0.0001340300000000, -0.0002746100000000 ] - [ 0.0012262000000000, 0.0024785300000000, 0.0017937700000000 ] - [ 0.0010525300000000, 0.0026698300000000, 0.0019410300000000 ] - [ -0.0000020100000000, 0.0001592200000000, -0.0002749600000000 ] - [ 0.0012262000000000, 0.0024785300000000, -0.0017937700000000 ] - [ 0.0000015700000000, 0.0001340300000000, 0.0002746100000000 ] - [ 0.0007586400000000, 0.0001575500000000, 0.0000000000000000 ] - [ 0.0002065900000000, 0.0005533000000000, 0.0000000000000000 ] - [ 0.0005756000000000, -0.0007063000000000, 0.0000000000000000 ] - [ -0.0003292600000000, -0.0005380300000000, 0.0000000000000000 ] - [ 0.0010636500000000, -0.0010330400000000, 0.0019876100000000 ] - [ 0.0010636500000000, -0.0010330400000000, -0.0019876100000000 ] - [ -0.0006302200000000, 0.0006452100000000, 0.0001168700000000 ] - [ -0.0006302200000000, 0.0006452100000000, -0.0001168700000000 ] - [ -0.0000996200000000, -0.0000317700000000, 0.0005027900000000 ] - [ -0.0024204800000000, 0.0004323700000000, 0.0003741800000000 ] - [ 0.0000887300000000, 0.0000735300000000, 0.0005837200000000 ] - [ 0.0030989100000000, 0.0016082900000000, -0.0005876800000000 ] - [ 0.0003846600000000, 0.0001084400000000, -0.0006542700000000 ] - [ 0.0037146300000000, 0.0008554700000000, 0.0003874300000000 ] - [ -0.0002476100000000, 0.0000296000000000, -0.0005055300000000 ] - [ -0.0014624100000000, 0.0005066700000000, -0.0001607000000000 ] - [ 0.0030989100000000, 0.0016082900000000, 0.0005876800000000 ] - [ 0.0000887300000000, 0.0000735300000000, -0.0005837200000000 ] - [ -0.0024204800000000, 0.0004323700000000, -0.0003741800000000 ] - [ -0.0000996200000000, -0.0000317700000000, -0.0005027900000000 ] - [ -0.0014624100000000, 0.0005066700000000, 0.0001607000000000 ] - [ -0.0002476100000000, 0.0000296000000000, 0.0005055300000000 ] - [ 0.0037146300000000, 0.0008554700000000, -0.0003874300000000 ] - [ 0.0003846600000000, 0.0001084400000000, 0.0006542700000000 ] - [ -0.0005603500000000, 0.0003256100000000, 0.0000000000000000 ] - [ 0.0003589800000000, -0.0003544000000000, 0.0000000000000000 ] - [ -0.0002856400000000, -0.0000557500000000, 0.0000000000000000 ] - [ -0.0005103300000000, 0.0004195900000000, 0.0000000000000000 ] - [ 0.0010154600000000, 0.0005274600000000, -0.0019860300000000 ] - [ 0.0010154600000000, 0.0005274600000000, 0.0019860300000000 ] - [ -0.0005873800000000, -0.0004185300000000, -0.0000695900000000 ] - [ -0.0005873800000000, -0.0004185300000000, 0.0000695900000000 ] - [ 0.0000988400000000, 0.0000720500000000, 0.0000974600000000 ] - [ 0.0001955600000000, -0.0002635600000000, -0.0002105100000000 ] - [ -0.0000103000000000, -0.0002743200000000, 0.0002595100000000 ] - [ 0.0048711100000000, -0.0036425900000000, -0.0057791600000000 ] - [ 0.0001055800000000, -0.0001264000000000, -0.0001179600000000 ] - [ 0.0003432700000000, -0.0003537000000000, 0.0002257000000000 ] - [ -0.0000337800000000, -0.0000533700000000, -0.0002632800000000 ] - [ 0.0049274400000000, -0.0034578400000000, 0.0063875500000000 ] - [ 0.0048711100000000, -0.0036425900000000, 0.0057791600000000 ] - [ -0.0000103000000000, -0.0002743200000000, -0.0002595100000000 ] - [ 0.0001955600000000, -0.0002635600000000, 0.0002105100000000 ] - [ 0.0000988400000000, 0.0000720500000000, -0.0000974600000000 ] - [ 0.0049274400000000, -0.0034578400000000, -0.0063875500000000 ] - [ -0.0000337800000000, -0.0000533700000000, 0.0002632800000000 ] - [ 0.0003432700000000, -0.0003537000000000, -0.0002257000000000 ] - [ 0.0001055800000000, -0.0001264000000000, 0.0001179600000000 ] - [ -0.0022309200000000, -0.0000252300000000, 0.0000000000000000 ] - [ 0.0002706500000000, -0.0000265100000000, 0.0000000000000000 ] - [ 0.0023636700000000, -0.0003980400000000, 0.0000000000000000 ] - [ -0.0002165300000000, -0.0000006200000000, 0.0000000000000000 ] - [ 0.0004323000000000, 0.0000217300000000, -0.0000355500000000 ] - [ 0.0004323000000000, 0.0000217300000000, 0.0000355500000000 ] - [ -0.0009997600000000, 0.0000825900000000, -0.0002650800000000 ] - [ -0.0009997600000000, 0.0000825900000000, 0.0002650800000000 ]- atom: 9 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0101292600000000, 0.0018746700000000, 0.0000000000000000 ] - [ -0.0003222800000000, 0.0006790200000000, 0.0000000000000000 ] - [ 0.0032911600000000, 0.0009066200000000, 0.0000000000000000 ] - [ 0.0000936900000000, -0.0006088000000000, 0.0000000000000000 ] - [ 0.0024479800000000, -0.0008546400000000, -0.0004272100000000 ] - [ 0.0024479800000000, -0.0008546400000000, 0.0004272100000000 ] - [ -0.0002553300000000, 0.0008278100000000, -0.0001085900000000 ] - [ -0.0002553300000000, 0.0008278100000000, 0.0001085900000000 ] - [ 0.0370854400000000, -0.0028967800000000, 0.0000000000000000 ] - [ 0.0004164100000000, -0.0004998600000000, 0.0000000000000000 ] - [ -0.0006430900000000, 0.0004068900000000, 0.0000000000000000 ] - [ -0.0002669200000000, 0.0004905000000000, 0.0000000000000000 ] - [ -0.0005017400000000, 0.0005140300000000, 0.0000273200000000 ] - [ -0.0005017400000000, 0.0005140300000000, -0.0000273200000000 ] - [ -0.0001447500000000, -0.0002994400000000, 0.0000715300000000 ] - [ -0.0001447500000000, -0.0002994400000000, -0.0000715300000000 ] - [ 0.0000009000000000, -0.0001594400000000, 0.0000743600000000 ] - [ -0.0010567500000000, -0.0026516400000000, 0.0022745800000000 ] - [ -0.0000012800000000, -0.0001346800000000, -0.0000715000000000 ] - [ -0.0012272300000000, -0.0024974300000000, -0.0021532400000000 ] - [ -0.0010567500000000, -0.0026516400000000, -0.0022745800000000 ] - [ 0.0000009000000000, -0.0001594400000000, -0.0000743600000000 ] - [ -0.0012272300000000, -0.0024974300000000, 0.0021532400000000 ] - [ -0.0000012800000000, -0.0001346800000000, 0.0000715000000000 ] - [ 0.0006651700000000, 0.0010866600000000, 0.0000000000000000 ] - [ 0.0006121500000000, 0.0006370300000000, 0.0000000000000000 ] - [ -0.0013683300000000, -0.0004837000000000, 0.0000000000000000 ] - [ -0.0004646500000000, -0.0006396400000000, 0.0000000000000000 ] - [ -0.0002708100000000, -0.0001513100000000, -0.0019962900000000 ] - [ -0.0002708100000000, -0.0001513100000000, 0.0019962900000000 ] - [ -0.0001761400000000, 0.0005401000000000, -0.0001176000000000 ] - [ -0.0001761400000000, 0.0005401000000000, 0.0001176000000000 ] - [ 0.0002503600000000, -0.0000532800000000, 0.0004200200000000 ] - [ 0.0025734900000000, -0.0005141700000000, 0.0005393900000000 ] - [ -0.0002439800000000, 0.0000028400000000, 0.0003229400000000 ] - [ -0.0032671800000000, -0.0015147600000000, 0.0014912100000000 ] - [ -0.0002304500000000, -0.0000293100000000, -0.0002516000000000 ] - [ -0.0035502400000000, -0.0007835700000000, -0.0013152100000000 ] - [ 0.0000929500000000, -0.0001072700000000, -0.0004077600000000 ] - [ 0.0013057600000000, -0.0005750800000000, -0.0007404200000000 ] - [ -0.0032671800000000, -0.0015147600000000, -0.0014912100000000 ] - [ -0.0002439800000000, 0.0000028400000000, -0.0003229400000000 ] - [ 0.0025734900000000, -0.0005141700000000, -0.0005393900000000 ] - [ 0.0002503600000000, -0.0000532800000000, -0.0004200200000000 ] - [ 0.0013057600000000, -0.0005750800000000, 0.0007404200000000 ] - [ 0.0000929500000000, -0.0001072700000000, 0.0004077600000000 ] - [ -0.0035502400000000, -0.0007835700000000, 0.0013152100000000 ] - [ -0.0002304500000000, -0.0000293100000000, 0.0002516000000000 ] - [ 0.0010570700000000, -0.0011343800000000, 0.0000000000000000 ] - [ 0.0006908900000000, -0.0004164700000000, 0.0000000000000000 ] - [ -0.0007948900000000, 0.0008450000000000, 0.0000000000000000 ] - [ -0.0005614000000000, 0.0003642900000000, 0.0000000000000000 ] - [ 0.0000559100000000, 0.0002538300000000, 0.0019779800000000 ] - [ 0.0000559100000000, 0.0002538300000000, -0.0019779800000000 ] - [ -0.0004713400000000, -0.0003621900000000, 0.0000693200000000 ] - [ -0.0004713400000000, -0.0003621900000000, -0.0000693200000000 ] - [ 0.0000827800000000, 0.0001354300000000, 0.0000413100000000 ] - [ -0.0000202500000000, 0.0004710100000000, 0.0003493300000000 ] - [ -0.0001730400000000, 0.0000680300000000, -0.0001197400000000 ] - [ -0.0050182700000000, 0.0033958000000000, 0.0058459200000000 ] - [ 0.0000762700000000, -0.0000830700000000, -0.0000204600000000 ] - [ -0.0001547500000000, 0.0001501600000000, -0.0003633700000000 ] - [ -0.0001495600000000, 0.0002642300000000, 0.0001236400000000 ] - [ -0.0051391400000000, 0.0037026400000000, -0.0066032800000000 ] - [ -0.0050182700000000, 0.0033958000000000, -0.0058459200000000 ] - [ -0.0001730400000000, 0.0000680300000000, 0.0001197400000000 ] - [ -0.0000202500000000, 0.0004710100000000, -0.0003493300000000 ] - [ 0.0000827800000000, 0.0001354300000000, -0.0000413100000000 ] - [ -0.0051391400000000, 0.0037026400000000, 0.0066032800000000 ] - [ -0.0001495600000000, 0.0002642300000000, -0.0001236400000000 ] - [ -0.0001547500000000, 0.0001501600000000, 0.0003633700000000 ] - [ 0.0000762700000000, -0.0000830700000000, 0.0000204600000000 ] - [ 0.0028312600000000, 0.0000636400000000, 0.0000000000000000 ] - [ 0.0003315200000000, 0.0000278700000000, 0.0000000000000000 ] - [ -0.0029533900000000, 0.0004003200000000, 0.0000000000000000 ] - [ -0.0003917200000000, -0.0000005500000000, 0.0000000000000000 ] - [ 0.0001693600000000, -0.0000207800000000, 0.0000380500000000 ] - [ 0.0001693600000000, -0.0000207800000000, -0.0000380500000000 ] - [ 0.0004070700000000, -0.0000850400000000, 0.0002551900000000 ] - [ 0.0004070700000000, -0.0000850400000000, -0.0002551900000000 ]- atom: 9 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0002969400000000, -0.0000900800000000, 0.0000000000000000 ] - [ -0.0000392800000000, 0.0005286000000000, 0.0000000000000000 ] - [ -0.0011930000000000, 0.0150413500000000, 0.0000000000000000 ] - [ 0.0001047900000000, -0.0002301000000000, 0.0000000000000000 ] - [ 0.0000618600000000, -0.0036193700000000, -0.0040214100000000 ] - [ 0.0000618600000000, -0.0036193700000000, 0.0040214100000000 ] - [ -0.0001469300000000, 0.0011894600000000, -0.0002460500000000 ] - [ -0.0001469300000000, 0.0011894600000000, 0.0002460500000000 ] - [ 0.0026491900000000, -0.0240592300000000, 0.0000000000000000 ] - [ 0.0002625600000000, -0.0007392600000000, 0.0000000000000000 ] - [ -0.0001678000000000, 0.0008409400000000, 0.0000000000000000 ] - [ -0.0002527200000000, 0.0005211900000000, 0.0000000000000000 ] - [ 0.0002762800000000, 0.0002757100000000, 0.0000796900000000 ] - [ 0.0002762800000000, 0.0002757100000000, -0.0000796900000000 ] - [ -0.0000622300000000, 0.0007676700000000, 0.0002375500000000 ] - [ -0.0000622300000000, 0.0007676700000000, -0.0002375500000000 ] - [ 0.0001102400000000, -0.0000348300000000, 0.0003211900000000 ] - [ 0.0026706300000000, 0.0013840900000000, -0.0019350300000000 ] - [ 0.0001672100000000, 0.0000691500000000, -0.0002647500000000 ] - [ 0.0025520300000000, 0.0015201200000000, 0.0013520300000000 ] - [ 0.0026706300000000, 0.0013840900000000, 0.0019350300000000 ] - [ 0.0001102400000000, -0.0000348300000000, -0.0003211900000000 ] - [ 0.0025520300000000, 0.0015201200000000, -0.0013520300000000 ] - [ 0.0001672100000000, 0.0000691500000000, 0.0002647500000000 ] - [ 0.0002318100000000, 0.0046469700000000, 0.0000000000000000 ] - [ 0.0004716500000000, 0.0007296600000000, 0.0000000000000000 ] - [ -0.0013139500000000, -0.0041375200000000, 0.0000000000000000 ] - [ -0.0004564200000000, -0.0008762500000000, 0.0000000000000000 ] - [ -0.0001438300000000, 0.0011842000000000, 0.0002663600000000 ] - [ -0.0001438300000000, 0.0011842000000000, -0.0002663600000000 ] - [ -0.0002277100000000, -0.0001474300000000, -0.0001446900000000 ] - [ -0.0002277100000000, -0.0001474300000000, 0.0001446900000000 ] - [ 0.0001302100000000, 0.0000613600000000, 0.0003337600000000 ] - [ 0.0006355200000000, 0.0004258900000000, 0.0003133600000000 ] - [ -0.0000772300000000, 0.0000944200000000, -0.0001102100000000 ] - [ 0.0010673000000000, -0.0031389500000000, 0.0038633400000000 ] - [ 0.0001617100000000, 0.0001333900000000, 0.0006073900000000 ] - [ 0.0007697200000000, -0.0007940100000000, -0.0054183600000000 ] - [ 0.0000206400000000, -0.0001822500000000, -0.0004981300000000 ] - [ 0.0005159400000000, -0.0003184200000000, -0.0005046000000000 ] - [ 0.0010673000000000, -0.0031389500000000, -0.0038633400000000 ] - [ -0.0000772300000000, 0.0000944200000000, 0.0001102100000000 ] - [ 0.0006355200000000, 0.0004258900000000, -0.0003133600000000 ] - [ 0.0001302100000000, 0.0000613600000000, -0.0003337600000000 ] - [ 0.0005159400000000, -0.0003184200000000, 0.0005046000000000 ] - [ 0.0000206400000000, -0.0001822500000000, 0.0004981300000000 ] - [ 0.0007697200000000, -0.0007940100000000, 0.0054183600000000 ] - [ 0.0001617100000000, 0.0001333900000000, -0.0006073900000000 ] - [ 0.0002742900000000, 0.0039153000000000, 0.0000000000000000 ] - [ 0.0004577200000000, -0.0002373400000000, 0.0000000000000000 ] - [ 0.0001809300000000, -0.0035483000000000, 0.0000000000000000 ] - [ -0.0005387800000000, 0.0001015800000000, 0.0000000000000000 ] - [ 0.0007550700000000, 0.0023320000000000, -0.0002577400000000 ] - [ 0.0007550700000000, 0.0023320000000000, 0.0002577400000000 ] - [ -0.0005656400000000, -0.0011570600000000, -0.0002000000000000 ] - [ -0.0005656400000000, -0.0011570600000000, 0.0002000000000000 ] - [ -0.0000644000000000, 0.0003134400000000, 0.0000171800000000 ] - [ -0.0005657300000000, 0.0015193200000000, -0.0000966800000000 ] - [ -0.0002442700000000, -0.0002390100000000, 0.0000453200000000 ] - [ -0.0035313200000000, -0.0015234800000000, 0.0022123100000000 ] - [ -0.0000102700000000, -0.0000113400000000, 0.0000653200000000 ] - [ -0.0008653800000000, 0.0008403200000000, -0.0002780600000000 ] - [ -0.0001401100000000, -0.0000943600000000, -0.0000510700000000 ] - [ -0.0035219800000000, -0.0018074000000000, -0.0026863200000000 ] - [ -0.0035313200000000, -0.0015234800000000, -0.0022123100000000 ] - [ -0.0002442700000000, -0.0002390100000000, -0.0000453200000000 ] - [ -0.0005657300000000, 0.0015193200000000, 0.0000966800000000 ] - [ -0.0000644000000000, 0.0003134400000000, -0.0000171800000000 ] - [ -0.0035219800000000, -0.0018074000000000, 0.0026863200000000 ] - [ -0.0001401100000000, -0.0000943600000000, 0.0000510700000000 ] - [ -0.0008653800000000, 0.0008403200000000, 0.0002780600000000 ] - [ -0.0000102700000000, -0.0000113400000000, -0.0000653200000000 ] - [ -0.0001466100000000, 0.0109049700000000, 0.0000000000000000 ] - [ 0.0003692700000000, 0.0002292000000000, 0.0000000000000000 ] - [ -0.0003781200000000, -0.0001759300000000, 0.0000000000000000 ] - [ -0.0003167000000000, -0.0000154700000000, 0.0000000000000000 ] - [ 0.0002361900000000, 0.0000964800000000, 0.0002474000000000 ] - [ 0.0002361900000000, 0.0000964800000000, -0.0002474000000000 ] - [ -0.0002114000000000, -0.0008142300000000, 0.0017785700000000 ] - [ -0.0002114000000000, -0.0008142300000000, -0.0017785700000000 ]- atom: 9 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0003448200000000, 0.0014494400000000, 0.0000000000000000 ] - [ -0.0000061200000000, 0.0008603300000000, 0.0000000000000000 ] - [ 0.0011986900000000, -0.0162094100000000, 0.0000000000000000 ] - [ -0.0000619000000000, -0.0011590200000000, 0.0000000000000000 ] - [ -0.0001053000000000, 0.0022458600000000, 0.0040159900000000 ] - [ -0.0001053000000000, 0.0022458600000000, -0.0040159900000000 ] - [ 0.0001872900000000, 0.0001989200000000, 0.0002490100000000 ] - [ 0.0001872900000000, 0.0001989200000000, -0.0002490100000000 ] - [ -0.0021606000000000, 0.0230860500000000, 0.0000000000000000 ] - [ 0.0002201800000000, -0.0002192300000000, 0.0000000000000000 ] - [ -0.0003129600000000, 0.0001168700000000, 0.0000000000000000 ] - [ -0.0002284300000000, 0.0004364500000000, 0.0000000000000000 ] - [ 0.0002057800000000, 0.0006829800000000, -0.0000816400000000 ] - [ 0.0002057800000000, 0.0006829800000000, 0.0000816400000000 ] - [ -0.0004187200000000, -0.0017240500000000, -0.0002348200000000 ] - [ -0.0004187200000000, -0.0017240500000000, 0.0002348200000000 ] - [ -0.0001094800000000, 0.0000337200000000, 0.0000225700000000 ] - [ -0.0026491300000000, -0.0013865600000000, 0.0022594100000000 ] - [ -0.0001666100000000, -0.0000683200000000, -0.0000785700000000 ] - [ -0.0025725500000000, -0.0015176200000000, -0.0017139100000000 ] - [ -0.0026491300000000, -0.0013865600000000, -0.0022594100000000 ] - [ -0.0001094800000000, 0.0000337200000000, -0.0000225700000000 ] - [ -0.0025725500000000, -0.0015176200000000, 0.0017139100000000 ] - [ -0.0001666100000000, -0.0000683200000000, 0.0000785700000000 ] - [ 0.0005530200000000, -0.0034749400000000, 0.0000000000000000 ] - [ 0.0003147400000000, 0.0004320700000000, 0.0000000000000000 ] - [ 0.0005075400000000, 0.0029617400000000, 0.0000000000000000 ] - [ -0.0003473200000000, -0.0002932300000000, 0.0000000000000000 ] - [ 0.0009323100000000, -0.0023505500000000, -0.0002612200000000 ] - [ 0.0009323100000000, -0.0023505500000000, 0.0002612200000000 ] - [ -0.0005780700000000, 0.0013199000000000, 0.0001462900000000 ] - [ -0.0005780700000000, 0.0013199000000000, -0.0001462900000000 ] - [ 0.0000339900000000, -0.0001288200000000, 0.0005590100000000 ] - [ -0.0004696100000000, -0.0004883700000000, 0.0005819700000000 ] - [ -0.0000853900000000, -0.0000110200000000, 0.0010192300000000 ] - [ -0.0012374000000000, 0.0033172500000000, -0.0029806700000000 ] - [ 0.0000031900000000, -0.0000617600000000, -0.0015048400000000 ] - [ -0.0005912500000000, 0.0007374200000000, 0.0044611600000000 ] - [ -0.0001819400000000, 0.0000997800000000, -0.0004155500000000 ] - [ -0.0006787700000000, 0.0002294500000000, -0.0004054800000000 ] - [ -0.0012374000000000, 0.0033172500000000, 0.0029806700000000 ] - [ -0.0000853900000000, -0.0000110200000000, -0.0010192300000000 ] - [ -0.0004696100000000, -0.0004883700000000, -0.0005819700000000 ] - [ 0.0000339900000000, -0.0001288200000000, -0.0005590100000000 ] - [ -0.0006787700000000, 0.0002294500000000, 0.0004054800000000 ] - [ -0.0001819400000000, 0.0000997800000000, 0.0004155500000000 ] - [ -0.0005912500000000, 0.0007374200000000, -0.0044611600000000 ] - [ 0.0000031900000000, -0.0000617600000000, 0.0015048400000000 ] - [ 0.0007945100000000, -0.0046917900000000, 0.0000000000000000 ] - [ 0.0006063500000000, -0.0005424000000000, 0.0000000000000000 ] - [ -0.0012221300000000, 0.0043358200000000, 0.0000000000000000 ] - [ -0.0005114400000000, 0.0006670900000000, 0.0000000000000000 ] - [ 0.0003088300000000, -0.0015551800000000, 0.0002663500000000 ] - [ 0.0003088300000000, -0.0015551800000000, -0.0002663500000000 ] - [ -0.0004819400000000, 0.0003863300000000, 0.0001972600000000 ] - [ -0.0004819400000000, 0.0003863300000000, -0.0001972600000000 ] - [ 0.0002443100000000, -0.0000994000000000, 0.0001287600000000 ] - [ 0.0007504500000000, -0.0013107900000000, 0.0002281000000000 ] - [ 0.0000636400000000, 0.0000256000000000, 0.0000984600000000 ] - [ 0.0033387200000000, 0.0013476700000000, -0.0020653500000000 ] - [ 0.0001893200000000, -0.0002057400000000, -0.0002122500000000 ] - [ 0.0010418000000000, -0.0010554000000000, 0.0001244200000000 ] - [ -0.0000403900000000, 0.0003119200000000, -0.0000957900000000 ] - [ 0.0033560700000000, 0.0019863600000000, 0.0025529400000000 ] - [ 0.0033387200000000, 0.0013476700000000, 0.0020653500000000 ] - [ 0.0000636400000000, 0.0000256000000000, -0.0000984600000000 ] - [ 0.0007504500000000, -0.0013107900000000, -0.0002281000000000 ] - [ 0.0002443100000000, -0.0000994000000000, -0.0001287600000000 ] - [ 0.0033560700000000, 0.0019863600000000, -0.0025529400000000 ] - [ -0.0000403900000000, 0.0003119200000000, 0.0000957900000000 ] - [ 0.0010418000000000, -0.0010554000000000, -0.0001244200000000 ] - [ 0.0001893200000000, -0.0002057400000000, 0.0002122500000000 ] - [ 0.0007633300000000, -0.0110667400000000, 0.0000000000000000 ] - [ 0.0002367700000000, -0.0002228400000000, 0.0000000000000000 ] - [ -0.0002277900000000, 0.0001842800000000, 0.0000000000000000 ] - [ -0.0002938600000000, 0.0000114400000000, 0.0000000000000000 ] - [ 0.0003711500000000, -0.0001030400000000, -0.0002469800000000 ] - [ 0.0003711500000000, -0.0001030400000000, 0.0002469800000000 ] - [ -0.0003991900000000, 0.0008124400000000, -0.0017773500000000 ] - [ -0.0003991900000000, 0.0008124400000000, 0.0017773500000000 ]- atom: 9 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0000225100000000, 0.0006780500000000, -0.0017045700000000 ] - [ -0.0000215900000000, 0.0006926200000000, 0.0015849100000000 ] - [ 0.0000223100000000, -0.0007180000000000, -0.0082354700000000 ] - [ 0.0000207000000000, -0.0006902000000000, 0.0019293600000000 ] - [ 0.0002979300000000, -0.0031374500000000, 0.0071709400000000 ] - [ -0.0003277600000000, 0.0016897800000000, 0.0071048400000000 ] - [ 0.0001056200000000, 0.0007063500000000, 0.0002448900000000 ] - [ -0.0000636900000000, 0.0006718000000000, 0.0002533700000000 ] - [ 0.0002413300000000, -0.0004521600000000, -0.0194720400000000 ] - [ 0.0002413800000000, -0.0004792900000000, 0.0011958200000000 ] - [ -0.0002413600000000, 0.0004786700000000, -0.0007644800000000 ] - [ -0.0002410200000000, 0.0004793400000000, 0.0006369800000000 ] - [ 0.0002662000000000, 0.0005604000000000, 0.0000478600000000 ] - [ 0.0002162200000000, 0.0003990100000000, 0.0000541300000000 ] - [ -0.0003136500000000, -0.0007156800000000, 0.0005681000000000 ] - [ -0.0001688300000000, -0.0002435400000000, 0.0005736600000000 ] - [ 0.0001362600000000, 0.0003156100000000, 0.0009296800000000 ] - [ -0.0021804600000000, -0.0021075200000000, 0.0002254800000000 ] - [ -0.0002062700000000, -0.0002779300000000, 0.0006214600000000 ] - [ 0.0019876800000000, 0.0016875900000000, -0.0004749900000000 ] - [ 0.0021903200000000, 0.0021197900000000, -0.0001330100000000 ] - [ -0.0001355700000000, -0.0003113300000000, 0.0005852800000000 ] - [ -0.0019930400000000, -0.0016943800000000, -0.0001449400000000 ] - [ 0.0002054600000000, 0.0002739600000000, 0.0009653300000000 ] - [ 0.0003896700000000, 0.0005762800000000, 0.0046598700000000 ] - [ 0.0003940600000000, 0.0005748700000000, -0.0015434100000000 ] - [ -0.0003968600000000, -0.0005740400000000, 0.0027066500000000 ] - [ -0.0003986200000000, -0.0005771800000000, -0.0011498000000000 ] - [ 0.0020425000000000, -0.0004535000000000, -0.0030139900000000 ] - [ -0.0012323400000000, -0.0006906000000000, -0.0029914100000000 ] - [ 0.0000310300000000, 0.0007794100000000, -0.0002581100000000 ] - [ -0.0008267800000000, 0.0003743200000000, -0.0002678500000000 ] - [ 0.0001250800000000, -0.0000174900000000, -0.0007334200000000 ] - [ -0.0005008200000000, -0.0002272500000000, 0.0018467800000000 ] - [ -0.0000061600000000, -0.0005814800000000, -0.0012474800000000 ] - [ -0.0008233400000000, 0.0046874300000000, 0.0027194900000000 ] - [ -0.0000643800000000, 0.0008366300000000, -0.0027056400000000 ] - [ 0.0005703100000000, -0.0032952200000000, -0.0002537400000000 ] - [ -0.0002226300000000, 0.0000672400000000, -0.0014037300000000 ] - [ 0.0005938200000000, -0.0002948600000000, 0.0003728000000000 ] - [ 0.0006429900000000, -0.0045654100000000, 0.0018909100000000 ] - [ -0.0001629500000000, 0.0006538100000000, -0.0021500700000000 ] - [ 0.0006710400000000, 0.0001611800000000, 0.0009676500000000 ] - [ 0.0000476800000000, -0.0000569000000000, -0.0016297300000000 ] - [ -0.0007660100000000, 0.0002188800000000, 0.0012814300000000 ] - [ 0.0000514500000000, -0.0001359900000000, -0.0005120700000000 ] - [ -0.0003867700000000, 0.0033059500000000, 0.0007493200000000 ] - [ 0.0002328500000000, -0.0007527600000000, -0.0018083400000000 ] - [ 0.0005383200000000, -0.0003910000000000, 0.0047741800000000 ] - [ 0.0005352200000000, -0.0003915300000000, -0.0014908600000000 ] - [ -0.0005337000000000, 0.0003886300000000, 0.0027328100000000 ] - [ -0.0005332900000000, 0.0003885500000000, -0.0011089100000000 ] - [ -0.0011325400000000, 0.0003526700000000, -0.0031170200000000 ] - [ 0.0021807200000000, 0.0004312800000000, -0.0030929800000000 ] - [ -0.0010647400000000, -0.0003790500000000, -0.0002912800000000 ] - [ -0.0000013100000000, -0.0004031900000000, -0.0002983200000000 ] - [ 0.0002282500000000, -0.0001367200000000, 0.0006264600000000 ] - [ -0.0006808700000000, 0.0008059800000000, -0.0005120400000000 ] - [ 0.0002355400000000, -0.0002799100000000, 0.0010423900000000 ] - [ -0.0062218100000000, 0.0022187300000000, 0.0014766400000000 ] - [ 0.0000432900000000, -0.0000808900000000, 0.0003957200000000 ] - [ 0.0007393800000000, -0.0004657300000000, -0.0004807000000000 ] - [ -0.0003270400000000, 0.0004876900000000, 0.0008441400000000 ] - [ 0.0067955400000000, -0.0027560300000000, 0.0021507700000000 ] - [ 0.0060848900000000, -0.0024555900000000, 0.0013112100000000 ] - [ -0.0004149200000000, 0.0000615800000000, 0.0008954200000000 ] - [ 0.0008596900000000, -0.0005916500000000, -0.0006581500000000 ] - [ -0.0000466600000000, 0.0003523000000000, 0.0004839900000000 ] - [ -0.0070333800000000, 0.0030034100000000, 0.0022773500000000 ] - [ 0.0001445000000000, -0.0002642100000000, 0.0009860500000000 ] - [ -0.0005549300000000, 0.0002477400000000, -0.0003379400000000 ] - [ 0.0001371300000000, -0.0001310200000000, 0.0005425900000000 ] - [ 0.0003029700000000, 0.0000217500000000, -0.0038792100000000 ] - [ 0.0003044300000000, 0.0000000800000000, 0.0010472500000000 ] - [ -0.0003022100000000, 0.0000041500000000, -0.0008437000000000 ] - [ -0.0003018000000000, -0.0000011500000000, 0.0007281300000000 ] - [ 0.0004166800000000, -0.0000207100000000, 0.0000798900000000 ] - [ 0.0001930600000000, 0.0000197500000000, 0.0000854100000000 ] - [ -0.0006089900000000, 0.0012715100000000, 0.0021805900000000 ] - [ -0.0000018800000000, -0.0012462100000000, 0.0021614400000000 ]- atom: 17 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0001575900000000, 0.0001155900000000, -0.0005643300000000 ] - [ 0.0073615100000000, -0.0062265400000000, 0.0104791700000000 ] - [ -0.0001062400000000, -0.0012656200000000, 0.0005606600000000 ] - [ 0.0073325200000000, -0.0075375500000000, -0.0103738800000000 ] - [ 0.0005785400000000, 0.0004891600000000, 0.0010797100000000 ] - [ -0.0000501000000000, -0.0007848800000000, -0.0001213200000000 ] - [ 0.0006125200000000, 0.0018757700000000, -0.0010820900000000 ] - [ -0.0000039800000000, 0.0005984100000000, 0.0001217400000000 ] - [ 0.0002398200000000, -0.0003684000000000, 0.0001376700000000 ] - [ 0.0012963500000000, 0.0021728200000000, -0.0021771700000000 ] - [ -0.0002417800000000, 0.0005886700000000, -0.0001360600000000 ] - [ 0.0008139100000000, 0.0031468500000000, 0.0021921100000000 ] - [ 0.0014687600000000, -0.0020931700000000, -0.0019980700000000 ] - [ 0.0002420600000000, 0.0003111400000000, 0.0002055900000000 ] - [ 0.0009866000000000, -0.0030307500000000, 0.0019846900000000 ] - [ -0.0002378300000000, -0.0006446000000000, -0.0002054800000000 ] - [ -0.0498718800000000, 0.0019514800000000, 0.0000828900000000 ] - [ -0.0001326600000000, 0.0000286400000000, 0.0001731400000000 ] - [ 0.0004678100000000, -0.0001551300000000, -0.0001737100000000 ] - [ 0.0000282100000000, -0.0000227200000000, -0.0001732300000000 ] - [ -0.0015972900000000, -0.0001326400000000, -0.0001618600000000 ] - [ -0.0011751200000000, 0.0002671800000000, -0.0001814600000000 ] - [ 0.0001367100000000, 0.0000520000000000, 0.0001747800000000 ] - [ 0.0001370100000000, -0.0002009100000000, 0.0001742500000000 ] - [ 0.0007126300000000, 0.0007240900000000, -0.0000443100000000 ] - [ 0.0044239800000000, 0.0019253100000000, -0.0011454900000000 ] - [ -0.0000919500000000, -0.0004629600000000, 0.0000449100000000 ] - [ 0.0035893600000000, 0.0007339600000000, 0.0011515400000000 ] - [ -0.0009367400000000, -0.0011549100000000, -0.0003567600000000 ] - [ 0.0001379900000000, -0.0006481800000000, -0.0000032400000000 ] - [ -0.0017424100000000, 0.0000329400000000, 0.0003614600000000 ] - [ -0.0006522300000000, 0.0005323800000000, 0.0000041400000000 ] - [ 0.0045135800000000, 0.0005608300000000, -0.0009685100000000 ] - [ 0.0000406400000000, -0.0000412600000000, 0.0005296300000000 ] - [ 0.0036641600000000, 0.0006709500000000, 0.0019210200000000 ] - [ -0.0001059100000000, 0.0000367700000000, 0.0003870000000000 ] - [ 0.0002324000000000, 0.0000843100000000, -0.0006094100000000 ] - [ 0.0000861800000000, 0.0000887900000000, -0.0004501200000000 ] - [ 0.0000924300000000, 0.0000073600000000, -0.0003030400000000 ] - [ -0.0000615400000000, 0.0000183600000000, -0.0004503200000000 ] - [ -0.0006592700000000, 0.0002053800000000, -0.0021130200000000 ] - [ -0.0006792200000000, -0.0000113100000000, 0.0014027600000000 ] - [ -0.0005068900000000, 0.0001321200000000, 0.0012170500000000 ] - [ -0.0005300300000000, -0.0000916100000000, -0.0023332900000000 ] - [ -0.0000169000000000, -0.0001955600000000, 0.0006721300000000 ] - [ -0.0000011600000000, 0.0002878700000000, 0.0002622100000000 ] - [ 0.0001311800000000, -0.0001248000000000, 0.0002349000000000 ] - [ 0.0001491300000000, 0.0003574200000000, 0.0006372000000000 ] - [ 0.0002684400000000, -0.0002237400000000, 0.0000476700000000 ] - [ -0.0015023300000000, 0.0008748600000000, -0.0006157300000000 ] - [ -0.0007969200000000, 0.0005568100000000, -0.0000456800000000 ] - [ -0.0025632200000000, 0.0016469300000000, 0.0006124800000000 ] - [ 0.0047944900000000, -0.0002298700000000, -0.0003754700000000 ] - [ 0.0008561100000000, 0.0003692600000000, -0.0001011200000000 ] - [ 0.0037370300000000, -0.0010127700000000, 0.0003772000000000 ] - [ -0.0002161300000000, -0.0004209700000000, 0.0001034700000000 ] - [ -0.0019543100000000, -0.0003586300000000, 0.0003745900000000 ] - [ 0.0000613700000000, 0.0000898300000000, 0.0000618000000000 ] - [ -0.0021383600000000, -0.0005422900000000, -0.0002382200000000 ] - [ -0.0001195000000000, -0.0001213800000000, 0.0000763800000000 ] - [ 0.0031512100000000, 0.0001758300000000, 0.0000118000000000 ] - [ 0.0002227100000000, -0.0000815300000000, -0.0000790400000000 ] - [ 0.0029636700000000, 0.0003952200000000, -0.0001466200000000 ] - [ 0.0000410800000000, 0.0001299900000000, -0.0000570700000000 ] - [ -0.0002863300000000, -0.0000126800000000, 0.0000828400000000 ] - [ -0.0002883000000000, -0.0003274300000000, 0.0001952300000000 ] - [ -0.0001049100000000, 0.0001998100000000, -0.0002195400000000 ] - [ -0.0001088300000000, -0.0001191800000000, -0.0003335600000000 ] - [ 0.0004708100000000, 0.0000911700000000, 0.0001104200000000 ] - [ 0.0006525400000000, 0.0002865500000000, 0.0001196700000000 ] - [ 0.0006518100000000, -0.0001205500000000, 0.0000273800000000 ] - [ 0.0008343000000000, 0.0000766000000000, 0.0000189300000000 ] - [ 0.0002956400000000, 0.0000005500000000, 0.0000416200000000 ] - [ 0.0004367900000000, -0.0004610200000000, -0.0002651400000000 ] - [ -0.0003096500000000, 0.0000003100000000, -0.0000420300000000 ] - [ -0.0001524900000000, -0.0004572000000000, 0.0002680200000000 ] - [ 0.0059909600000000, 0.0031691900000000, -0.0061697800000000 ] - [ 0.0002297000000000, 0.0002444100000000, 0.0002802500000000 ] - [ 0.0053366200000000, 0.0031348700000000, 0.0060926300000000 ] - [ -0.0003712500000000, 0.0002440600000000, -0.0002795800000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0002937400000000, 0.0005104000000000, 0.0000043700000000 ] - [ -0.0073139200000000, -0.0017146900000000, -0.0031950900000000 ] - [ -0.0002553400000000, -0.0008892500000000, -0.0000039100000000 ] - [ -0.0072736900000000, -0.0031591200000000, 0.0031898400000000 ] - [ 0.0028844900000000, 0.0033763200000000, 0.0005176200000000 ] - [ 0.0001781700000000, -0.0004642700000000, 0.0000236000000000 ] - [ 0.0029236100000000, 0.0047756400000000, -0.0005458500000000 ] - [ 0.0002195700000000, 0.0009357200000000, -0.0000212000000000 ] - [ 0.0003998900000000, -0.0005122000000000, 0.0003130600000000 ] - [ 0.0028920900000000, 0.0009066300000000, -0.0021034100000000 ] - [ -0.0000816500000000, 0.0004440400000000, -0.0003135000000000 ] - [ 0.0024307700000000, 0.0018631200000000, 0.0021248800000000 ] - [ -0.0022369800000000, 0.0019980900000000, 0.0016812400000000 ] - [ 0.0001064900000000, 0.0005482000000000, -0.0002763300000000 ] - [ -0.0027379200000000, 0.0010408600000000, -0.0016991000000000 ] - [ -0.0003754700000000, -0.0004099700000000, 0.0002765000000000 ] - [ 0.0019496800000000, -0.0310197000000000, 0.0002638500000000 ] - [ 0.0000272900000000, -0.0001704200000000, 0.0001752900000000 ] - [ 0.0001559100000000, 0.0005190400000000, -0.0001746200000000 ] - [ 0.0000237300000000, 0.0000477600000000, -0.0001742600000000 ] - [ -0.0001312400000000, -0.0020592500000000, -0.0001622500000000 ] - [ 0.0002686800000000, -0.0016052500000000, -0.0001832400000000 ] - [ 0.0002007500000000, 0.0002802400000000, 0.0001757500000000 ] - [ -0.0000510300000000, 0.0002786600000000, 0.0001746500000000 ] - [ 0.0007368700000000, 0.0005945500000000, -0.0004713200000000 ] - [ 0.0027097400000000, 0.0014018000000000, 0.0031233700000000 ] - [ -0.0000595900000000, -0.0005881600000000, 0.0004733000000000 ] - [ 0.0018715100000000, 0.0003635800000000, -0.0030294200000000 ] - [ -0.0007596900000000, -0.0008010500000000, -0.0000354300000000 ] - [ 0.0004688900000000, -0.0005751200000000, 0.0000160200000000 ] - [ -0.0015729000000000, 0.0003972000000000, 0.0000386900000000 ] - [ -0.0003232700000000, 0.0006055000000000, -0.0000161200000000 ] - [ 0.0003678700000000, 0.0046387400000000, 0.0001644800000000 ] - [ 0.0001140400000000, 0.0001182600000000, 0.0004464400000000 ] - [ 0.0002476400000000, 0.0047203800000000, 0.0007566200000000 ] - [ -0.0000348100000000, 0.0001949600000000, 0.0004634200000000 ] - [ -0.0001301300000000, -0.0034069900000000, 0.0001079900000000 ] - [ 0.0000679600000000, -0.0001562700000000, -0.0004746700000000 ] - [ -0.0002819000000000, -0.0034912600000000, -0.0010251700000000 ] - [ -0.0000808900000000, -0.0002306500000000, -0.0004337900000000 ] - [ -0.0001299600000000, 0.0010138400000000, -0.0004973000000000 ] - [ 0.0004767000000000, 0.0013874700000000, -0.0010715500000000 ] - [ 0.0000200900000000, 0.0009368400000000, -0.0004173600000000 ] - [ 0.0006200700000000, 0.0013038800000000, 0.0001535300000000 ] - [ -0.0002190900000000, -0.0019201700000000, 0.0011727500000000 ] - [ -0.0001048200000000, -0.0011310900000000, 0.0005447100000000 ] - [ -0.0000742100000000, -0.0018436300000000, -0.0002489100000000 ] - [ 0.0000454800000000, -0.0010568600000000, 0.0003569000000000 ] - [ 0.0004724600000000, -0.0003923700000000, -0.0000329300000000 ] - [ 0.0014706000000000, -0.0005244600000000, -0.0000365700000000 ] - [ -0.0005967900000000, 0.0003922700000000, 0.0000347200000000 ] - [ 0.0003996800000000, 0.0002672300000000, 0.0000358500000000 ] - [ -0.0004365400000000, 0.0025549000000000, -0.0007655400000000 ] - [ 0.0002117500000000, 0.0003227900000000, 0.0004278400000000 ] - [ -0.0014448700000000, 0.0020322200000000, 0.0005724100000000 ] - [ -0.0008657600000000, -0.0004707300000000, -0.0004299600000000 ] - [ -0.0004558300000000, 0.0087703900000000, 0.0003385100000000 ] - [ 0.0000711100000000, 0.0002130600000000, 0.0000623900000000 ] - [ -0.0006293900000000, 0.0084276700000000, -0.0001977500000000 ] - [ -0.0001120100000000, 0.0000061400000000, 0.0000732200000000 ] - [ 0.0001018500000000, -0.0004023000000000, -0.0000278200000000 ] - [ 0.0000691300000000, -0.0001356500000000, -0.0000690400000000 ] - [ -0.0000820800000000, -0.0001893600000000, -0.0001083900000000 ] - [ -0.0001153100000000, 0.0000709100000000, -0.0000643100000000 ] - [ -0.0005094300000000, 0.0007598600000000, 0.0008184600000000 ] - [ 0.0001312500000000, 0.0007257200000000, -0.0008897100000000 ] - [ -0.0003228800000000, 0.0009688900000000, -0.0009531100000000 ] - [ 0.0003112900000000, 0.0009291700000000, 0.0007563600000000 ] - [ -0.0000010900000000, -0.0000958000000000, 0.0003035000000000 ] - [ -0.0002926700000000, -0.0000710300000000, -0.0001346400000000 ] - [ 0.0001817500000000, -0.0003033200000000, -0.0001684300000000 ] - [ -0.0001114000000000, -0.0002793700000000, 0.0002705100000000 ] - [ 0.0002662100000000, 0.0001498300000000, 0.0000834200000000 ] - [ -0.0002299200000000, 0.0013043900000000, -0.0000518800000000 ] - [ -0.0003352200000000, 0.0001526000000000, -0.0000837300000000 ] - [ -0.0008313700000000, 0.0013066600000000, 0.0000599100000000 ] - [ 0.0031061600000000, -0.0021124600000000, -0.0016186200000000 ] - [ 0.0003861700000000, -0.0001447100000000, -0.0000821800000000 ] - [ 0.0025259400000000, -0.0020841700000000, 0.0016309300000000 ] - [ -0.0002185500000000, -0.0001453500000000, 0.0000815100000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0001875900000000, 0.0009292400000000, 0.0018997600000000 ] - [ 0.0103783300000000, -0.0019366600000000, 0.0015734700000000 ] - [ 0.0001875900000000, -0.0009292400000000, 0.0018997600000000 ] - [ -0.0103783300000000, 0.0019366600000000, 0.0015734700000000 ] - [ 0.0026742900000000, 0.0017519200000000, -0.0012605800000000 ] - [ -0.0002048000000000, -0.0009110800000000, 0.0013773600000000 ] - [ -0.0026742900000000, -0.0017519200000000, -0.0012605800000000 ] - [ 0.0002048000000000, 0.0009110800000000, 0.0013773600000000 ] - [ 0.0003424800000000, -0.0003304700000000, 0.0007576100000000 ] - [ -0.0018710400000000, -0.0025804300000000, 0.0000407100000000 ] - [ -0.0003424800000000, 0.0003304700000000, 0.0007576100000000 ] - [ 0.0018710400000000, 0.0025804300000000, 0.0000407100000000 ] - [ -0.0017297100000000, 0.0020058600000000, -0.0003042200000000 ] - [ 0.0003431300000000, 0.0003842800000000, 0.0007923100000000 ] - [ 0.0017297100000000, -0.0020058600000000, -0.0003042200000000 ] - [ -0.0003431300000000, -0.0003842800000000, 0.0007923100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0350509800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009663400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010334300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004109600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0064621700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0045214300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003119000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003097700000000 ] - [ 0.0004981600000000, 0.0003068800000000, -0.0013548200000000 ] - [ -0.0015184700000000, 0.0030624300000000, 0.0020071100000000 ] - [ -0.0004981600000000, -0.0003068800000000, -0.0013548200000000 ] - [ 0.0015184700000000, -0.0030624300000000, 0.0020071100000000 ] - [ -0.0007289200000000, -0.0006208900000000, 0.0009510000000000 ] - [ 0.0004799100000000, -0.0004430800000000, -0.0009093800000000 ] - [ 0.0007289200000000, 0.0006208900000000, 0.0009510000000000 ] - [ -0.0004799100000000, 0.0004430800000000, -0.0009093800000000 ] - [ 0.0000572000000000, -0.0003657500000000, 0.0060714300000000 ] - [ 0.0001127600000000, 0.0002135400000000, -0.0010762700000000 ] - [ -0.0000572000000000, 0.0003657500000000, 0.0060714300000000 ] - [ -0.0001127600000000, -0.0002135400000000, -0.0010762700000000 ] - [ -0.0002372600000000, -0.0010254000000000, 0.0026526500000000 ] - [ 0.0001070500000000, 0.0003209300000000, -0.0017191500000000 ] - [ 0.0002372600000000, 0.0010254000000000, 0.0026526500000000 ] - [ -0.0001070500000000, -0.0003209300000000, -0.0017191500000000 ] - [ -0.0012958900000000, 0.0003360300000000, -0.0020886900000000 ] - [ 0.0011261700000000, 0.0000609800000000, -0.0012929300000000 ] - [ 0.0012958900000000, -0.0003360300000000, -0.0020886900000000 ] - [ -0.0011261700000000, -0.0000609800000000, -0.0012929300000000 ] - [ 0.0006405900000000, 0.0004867500000000, -0.0003741000000000 ] - [ -0.0005250300000000, 0.0002704700000000, -0.0004865700000000 ] - [ -0.0006405900000000, -0.0004867500000000, -0.0003741000000000 ] - [ 0.0005250300000000, -0.0002704700000000, -0.0004865700000000 ] - [ 0.0006829000000000, -0.0006442300000000, -0.0008705300000000 ] - [ -0.0005245800000000, 0.0001468300000000, 0.0008475600000000 ] - [ -0.0006829000000000, 0.0006442300000000, -0.0008705300000000 ] - [ 0.0005245800000000, -0.0001468300000000, 0.0008475600000000 ] - [ -0.0002038500000000, -0.0006435400000000, 0.0042700300000000 ] - [ 0.0006796100000000, 0.0006448100000000, -0.0013426800000000 ] - [ 0.0002038500000000, 0.0006435400000000, 0.0042700300000000 ] - [ -0.0006796100000000, -0.0006448100000000, -0.0013426800000000 ] - [ 0.0003530500000000, 0.0006043800000000, -0.0030889400000000 ] - [ -0.0000028100000000, 0.0000287900000000, 0.0007199500000000 ] - [ -0.0003530500000000, -0.0006043800000000, -0.0030889400000000 ] - [ 0.0000028100000000, -0.0000287900000000, 0.0007199500000000 ] - [ 0.0000125100000000, 0.0001816600000000, -0.0008472900000000 ] - [ 0.0001474100000000, -0.0001889100000000, 0.0005279900000000 ] - [ -0.0000125100000000, -0.0001816600000000, -0.0008472900000000 ] - [ -0.0001474100000000, 0.0001889100000000, 0.0005279900000000 ] - [ -0.0002117300000000, 0.0002990000000000, 0.0007943000000000 ] - [ -0.0002262400000000, -0.0006593000000000, 0.0008087100000000 ] - [ 0.0002117300000000, -0.0002990000000000, 0.0007943000000000 ] - [ 0.0002262400000000, 0.0006593000000000, 0.0008087100000000 ] - [ -0.0000493700000000, 0.0003580700000000, 0.0000741100000000 ] - [ -0.0000738700000000, -0.0002678300000000, 0.0002695400000000 ] - [ 0.0000493700000000, -0.0003580700000000, 0.0000741100000000 ] - [ 0.0000738700000000, 0.0002678300000000, 0.0002695400000000 ] - [ 0.0003200500000000, -0.0001141000000000, 0.0006146100000000 ] - [ -0.0002351100000000, 0.0008327400000000, -0.0005958500000000 ] - [ -0.0003200500000000, 0.0001141000000000, 0.0006146100000000 ] - [ 0.0002351100000000, -0.0008327400000000, -0.0005958500000000 ] - [ -0.0063544200000000, -0.0017700000000000, 0.0012252000000000 ] - [ 0.0003657600000000, 0.0000672700000000, 0.0008875100000000 ] - [ 0.0063544200000000, 0.0017700000000000, 0.0012252000000000 ] - [ -0.0003657600000000, -0.0000672700000000, 0.0008875100000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0001617800000000, 0.0004184500000000, -0.0019086200000000 ] - [ -0.0103307700000000, 0.0032486700000000, -0.0016003100000000 ] - [ -0.0001617800000000, -0.0004184500000000, -0.0019086200000000 ] - [ 0.0103307700000000, -0.0032486700000000, -0.0016003100000000 ] - [ -0.0026897300000000, -0.0030998500000000, 0.0012593700000000 ] - [ 0.0001762400000000, -0.0004451500000000, -0.0013792900000000 ] - [ 0.0026897300000000, 0.0030998500000000, 0.0012593700000000 ] - [ -0.0001762400000000, 0.0004451500000000, -0.0013792900000000 ] - [ 0.0001397800000000, -0.0006289100000000, -0.0007565000000000 ] - [ 0.0023428600000000, 0.0016117700000000, -0.0000514600000000 ] - [ -0.0001397800000000, 0.0006289100000000, -0.0007565000000000 ] - [ -0.0023428600000000, -0.0016117700000000, -0.0000514600000000 ] - [ 0.0022176800000000, -0.0010586000000000, 0.0003158600000000 ] - [ 0.0001386000000000, 0.0005705100000000, -0.0007924300000000 ] - [ -0.0022176800000000, 0.0010586000000000, 0.0003158600000000 ] - [ -0.0001386000000000, -0.0005705100000000, -0.0007924300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0354452900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006156700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006834700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007644700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0069116100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0048064300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000428200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000392200000000 ] - [ 0.0002703000000000, 0.0008070100000000, 0.0013586800000000 ] - [ 0.0023128900000000, -0.0020545200000000, -0.0018835800000000 ] - [ -0.0002703000000000, -0.0008070100000000, 0.0013586800000000 ] - [ -0.0023128900000000, 0.0020545200000000, -0.0018835800000000 ] - [ 0.0014981000000000, -0.0004877200000000, -0.0009555100000000 ] - [ 0.0002926200000000, -0.0006644100000000, 0.0009105000000000 ] - [ -0.0014981000000000, 0.0004877200000000, -0.0009555100000000 ] - [ -0.0002926200000000, 0.0006644100000000, 0.0009105000000000 ] - [ 0.0001176400000000, 0.0003140500000000, -0.0052351900000000 ] - [ 0.0000834200000000, -0.0002664700000000, 0.0019165000000000 ] - [ -0.0001176400000000, -0.0003140500000000, -0.0052351900000000 ] - [ -0.0000834200000000, 0.0002664700000000, 0.0019165000000000 ] - [ 0.0004371800000000, 0.0010762800000000, -0.0034828600000000 ] - [ 0.0000899200000000, -0.0002650200000000, 0.0008810000000000 ] - [ -0.0004371800000000, -0.0010762800000000, -0.0034828600000000 ] - [ -0.0000899200000000, 0.0002650200000000, 0.0008810000000000 ] - [ 0.0011065300000000, -0.0002890400000000, 0.0012726100000000 ] - [ -0.0013127800000000, -0.0000186800000000, 0.0004651900000000 ] - [ -0.0011065300000000, 0.0002890400000000, 0.0012726100000000 ] - [ 0.0013127800000000, 0.0000186800000000, 0.0004651900000000 ] - [ -0.0008388900000000, -0.0005286400000000, 0.0011962700000000 ] - [ 0.0003280600000000, -0.0003278900000000, 0.0013271000000000 ] - [ 0.0008388900000000, 0.0005286400000000, 0.0011962700000000 ] - [ -0.0003280600000000, 0.0003278900000000, 0.0013271000000000 ] - [ 0.0003871600000000, -0.0001400500000000, 0.0008712400000000 ] - [ 0.0016000500000000, -0.0009418200000000, -0.0008407900000000 ] - [ -0.0003871600000000, 0.0001400500000000, 0.0008712400000000 ] - [ -0.0016000500000000, 0.0009418200000000, -0.0008407900000000 ] - [ 0.0012270900000000, 0.0012533100000000, -0.0044293100000000 ] - [ 0.0003872300000000, 0.0001469200000000, 0.0013433600000000 ] - [ -0.0012270900000000, -0.0012533100000000, -0.0044293100000000 ] - [ -0.0003872300000000, -0.0001469200000000, 0.0013433600000000 ] - [ -0.0001727400000000, -0.0004095200000000, 0.0032367800000000 ] - [ 0.0001867200000000, 0.0001903100000000, -0.0005764600000000 ] - [ 0.0001727400000000, 0.0004095200000000, 0.0032367800000000 ] - [ -0.0001867200000000, -0.0001903100000000, -0.0005764600000000 ] - [ 0.0001661000000000, -0.0004126200000000, 0.0006957600000000 ] - [ 0.0000334300000000, -0.0000304900000000, -0.0006738400000000 ] - [ -0.0001661000000000, 0.0004126200000000, 0.0006957600000000 ] - [ -0.0000334300000000, 0.0000304900000000, -0.0006738400000000 ] - [ 0.0000229200000000, -0.0005136200000000, -0.0009311200000000 ] - [ 0.0000503000000000, 0.0004236500000000, -0.0009627900000000 ] - [ -0.0000229200000000, 0.0005136200000000, -0.0009311200000000 ] - [ -0.0000503000000000, -0.0004236500000000, -0.0009627900000000 ] - [ -0.0001298400000000, -0.0001386400000000, 0.0000825600000000 ] - [ -0.0001088000000000, 0.0004839100000000, -0.0001244000000000 ] - [ 0.0001298400000000, 0.0001386400000000, 0.0000825600000000 ] - [ 0.0001088000000000, -0.0004839100000000, -0.0001244000000000 ] - [ 0.0002773700000000, 0.0001061900000000, -0.0006139200000000 ] - [ 0.0008272200000000, -0.0008433100000000, 0.0005964100000000 ] - [ -0.0002773700000000, -0.0001061900000000, -0.0006139200000000 ] - [ -0.0008272200000000, 0.0008433100000000, 0.0005964100000000 ] - [ 0.0070008200000000, 0.0018025100000000, -0.0012029900000000 ] - [ 0.0002393600000000, -0.0000566400000000, -0.0008841300000000 ] - [ -0.0070008200000000, -0.0018025100000000, -0.0012029900000000 ] - [ -0.0002393600000000, 0.0000566400000000, -0.0008841300000000 ]- atom: 25 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0910114000000000, 0.0375563400000000, 0.0000000000000000 ] - [ 0.0003891300000000, 0.0013281200000000, 0.0000000000000000 ] - [ -0.0037622300000000, 0.0024454900000000, 0.0000000000000000 ] - [ -0.0000674100000000, -0.0005066600000000, 0.0000000000000000 ] - [ -0.0024705800000000, -0.0002990100000000, 0.0026881500000000 ] - [ -0.0024705800000000, -0.0002990100000000, -0.0026881500000000 ] - [ 0.0005834400000000, 0.0005859600000000, -0.0016297300000000 ] - [ 0.0005834400000000, 0.0005859600000000, 0.0016297300000000 ] - [ -0.0000377700000000, -0.0006646400000000, 0.0000000000000000 ] - [ 0.0000376300000000, -0.0003986600000000, 0.0000000000000000 ] - [ 0.0007268900000000, -0.0004302100000000, 0.0000000000000000 ] - [ -0.0001770500000000, 0.0004240300000000, 0.0000000000000000 ] - [ 0.0009110100000000, 0.0010160500000000, -0.0016352100000000 ] - [ 0.0009110100000000, 0.0010160500000000, 0.0016352100000000 ] - [ -0.0004758000000000, -0.0006535500000000, 0.0004285900000000 ] - [ -0.0004758000000000, -0.0006535500000000, -0.0004285900000000 ] - [ 0.0003155200000000, 0.0003480500000000, 0.0002900600000000 ] - [ 0.0040038400000000, 0.0023047800000000, -0.0017635300000000 ] - [ -0.0002526900000000, -0.0000667400000000, -0.0002660800000000 ] - [ -0.0013311900000000, 0.0011618900000000, 0.0009549100000000 ] - [ 0.0040038400000000, 0.0023047800000000, 0.0017635300000000 ] - [ 0.0003155200000000, 0.0003480500000000, -0.0002900600000000 ] - [ -0.0013311900000000, 0.0011618900000000, -0.0009549100000000 ] - [ -0.0002526900000000, -0.0000667400000000, 0.0002660800000000 ] - [ -0.1482244900000000, -0.0527839500000000, 0.0000000000000000 ] - [ -0.0002361100000000, 0.0004013400000000, 0.0000000000000000 ] - [ -0.0009270300000000, -0.0018647800000000, 0.0000000000000000 ] - [ -0.0005934900000000, -0.0005213500000000, 0.0000000000000000 ] - [ 0.0025723900000000, -0.0012019900000000, 0.0007198800000000 ] - [ 0.0025723900000000, -0.0012019900000000, -0.0007198800000000 ] - [ 0.0005931600000000, 0.0014601700000000, 0.0009638700000000 ] - [ 0.0005931600000000, 0.0014601700000000, -0.0009638700000000 ] - [ -0.0000723700000000, -0.0002621500000000, 0.0012490600000000 ] - [ 0.0051381400000000, 0.0086400000000000, -0.0085386800000000 ] - [ 0.0002645500000000, -0.0001609900000000, 0.0002427900000000 ] - [ 0.0044194700000000, -0.0018838400000000, 0.0016316700000000 ] - [ 0.0003251600000000, 0.0003802500000000, -0.0012894200000000 ] - [ 0.0031251700000000, 0.0031566500000000, 0.0033577400000000 ] - [ -0.0004550300000000, 0.0002231300000000, -0.0000199700000000 ] - [ -0.0022366400000000, -0.0028741200000000, -0.0030940400000000 ] - [ 0.0044194700000000, -0.0018838400000000, -0.0016316700000000 ] - [ 0.0002645500000000, -0.0001609900000000, -0.0002427900000000 ] - [ 0.0051381400000000, 0.0086400000000000, 0.0085386800000000 ] - [ -0.0000723700000000, -0.0002621500000000, -0.0012490600000000 ] - [ -0.0022366400000000, -0.0028741200000000, 0.0030940400000000 ] - [ -0.0004550300000000, 0.0002231300000000, 0.0000199700000000 ] - [ 0.0031251700000000, 0.0031566500000000, -0.0033577400000000 ] - [ 0.0003251600000000, 0.0003802500000000, 0.0012894200000000 ] - [ 0.0198627400000000, -0.0042222500000000, 0.0000000000000000 ] - [ 0.0007187100000000, -0.0005533700000000, 0.0000000000000000 ] - [ 0.0022201200000000, 0.0000042100000000, 0.0000000000000000 ] - [ -0.0001778000000000, 0.0004026500000000, 0.0000000000000000 ] - [ -0.0000483100000000, 0.0004860100000000, -0.0038840500000000 ] - [ -0.0000483100000000, 0.0004860100000000, 0.0038840500000000 ] - [ -0.0020949200000000, -0.0005032500000000, 0.0003562300000000 ] - [ -0.0020949200000000, -0.0005032500000000, -0.0003562300000000 ] - [ 0.0003540800000000, -0.0000557900000000, 0.0000564200000000 ] - [ 0.0014541300000000, -0.0005102500000000, -0.0005470500000000 ] - [ 0.0003105700000000, -0.0004172000000000, 0.0004127300000000 ] - [ 0.0080097200000000, 0.0000896300000000, 0.0008255900000000 ] - [ -0.0001832600000000, -0.0000853200000000, -0.0003191400000000 ] - [ -0.0022350500000000, -0.0011391000000000, -0.0000816000000000 ] - [ -0.0003615200000000, 0.0001764600000000, -0.0002149000000000 ] - [ -0.0031020500000000, -0.0003701600000000, 0.0018538400000000 ] - [ 0.0080097200000000, 0.0000896300000000, -0.0008255900000000 ] - [ 0.0003105700000000, -0.0004172000000000, -0.0004127300000000 ] - [ 0.0014541300000000, -0.0005102500000000, 0.0005470500000000 ] - [ 0.0003540800000000, -0.0000557900000000, -0.0000564200000000 ] - [ -0.0031020500000000, -0.0003701600000000, -0.0018538400000000 ] - [ -0.0003615200000000, 0.0001764600000000, 0.0002149000000000 ] - [ -0.0022350500000000, -0.0011391000000000, 0.0000816000000000 ] - [ -0.0001832600000000, -0.0000853200000000, 0.0003191400000000 ] - [ -0.0014420200000000, -0.0012374900000000, 0.0000000000000000 ] - [ 0.0002179900000000, -0.0001795000000000, 0.0000000000000000 ] - [ 0.0065135000000000, 0.0029523100000000, 0.0000000000000000 ] - [ -0.0002275400000000, -0.0001044700000000, 0.0000000000000000 ] - [ 0.0010942500000000, -0.0006630300000000, -0.0019272600000000 ] - [ 0.0010942500000000, -0.0006630300000000, 0.0019272600000000 ] - [ -0.0010677700000000, 0.0000938900000000, 0.0007166700000000 ] - [ -0.0010677700000000, 0.0000938900000000, -0.0007166700000000 ]- atom: 25 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0860433000000000, -0.0332366700000000, 0.0000000000000000 ] - [ -0.0004310900000000, 0.0000496400000000, 0.0000000000000000 ] - [ 0.0038008000000000, -0.0038617100000000, 0.0000000000000000 ] - [ 0.0001064200000000, -0.0008730600000000, 0.0000000000000000 ] - [ 0.0024145400000000, -0.0010840600000000, -0.0027061200000000 ] - [ 0.0024145400000000, -0.0010840600000000, 0.0027061200000000 ] - [ -0.0005380200000000, 0.0007832400000000, 0.0016409900000000 ] - [ -0.0005380200000000, 0.0007832400000000, -0.0016409900000000 ] - [ -0.0001238500000000, -0.0003528800000000, 0.0000000000000000 ] - [ 0.0004427300000000, -0.0005590900000000, 0.0000000000000000 ] - [ -0.0012021600000000, 0.0013877800000000, 0.0000000000000000 ] - [ -0.0003037700000000, 0.0005333700000000, 0.0000000000000000 ] - [ -0.0004181600000000, -0.0000568800000000, 0.0016404100000000 ] - [ -0.0004181600000000, -0.0000568800000000, -0.0016404100000000 ] - [ -0.0000071500000000, -0.0003050200000000, -0.0004309500000000 ] - [ -0.0000071500000000, -0.0003050200000000, 0.0004309500000000 ] - [ -0.0003156600000000, -0.0003463900000000, 0.0000593400000000 ] - [ -0.0040253800000000, -0.0022779200000000, 0.0020916600000000 ] - [ 0.0002540900000000, 0.0000676700000000, -0.0000817100000000 ] - [ 0.0013378900000000, -0.0011513900000000, -0.0012909200000000 ] - [ -0.0040253800000000, -0.0022779200000000, -0.0020916600000000 ] - [ -0.0003156600000000, -0.0003463900000000, -0.0000593400000000 ] - [ 0.0013378900000000, -0.0011513900000000, 0.0012909200000000 ] - [ 0.0002540900000000, 0.0000676700000000, 0.0000817100000000 ] - [ 0.1440911500000000, 0.0511372600000000, 0.0000000000000000 ] - [ 0.0010200800000000, 0.0007742700000000, 0.0000000000000000 ] - [ 0.0001508000000000, 0.0006686600000000, 0.0000000000000000 ] - [ -0.0002130500000000, -0.0006692800000000, 0.0000000000000000 ] - [ -0.0017558000000000, 0.0000057900000000, -0.0007099600000000 ] - [ -0.0017558000000000, 0.0000057900000000, 0.0007099600000000 ] - [ -0.0013897400000000, -0.0002740000000000, -0.0009618800000000 ] - [ -0.0013897400000000, -0.0002740000000000, 0.0009618800000000 ] - [ 0.0002254200000000, 0.0001915000000000, -0.0003483500000000 ] - [ -0.0049745900000000, -0.0086320100000000, 0.0093635400000000 ] - [ -0.0004157200000000, 0.0002419000000000, 0.0006723300000000 ] - [ -0.0045763900000000, 0.0019851200000000, -0.0007383900000000 ] - [ -0.0001716800000000, -0.0002917200000000, 0.0003706800000000 ] - [ -0.0029618500000000, -0.0030943700000000, -0.0043096500000000 ] - [ 0.0003001800000000, -0.0002937400000000, -0.0008889800000000 ] - [ 0.0020558000000000, 0.0028289400000000, 0.0022166900000000 ] - [ -0.0045763900000000, 0.0019851200000000, 0.0007383900000000 ] - [ -0.0004157200000000, 0.0002419000000000, -0.0006723300000000 ] - [ -0.0049745900000000, -0.0086320100000000, -0.0093635400000000 ] - [ 0.0002254200000000, 0.0001915000000000, 0.0003483500000000 ] - [ 0.0020558000000000, 0.0028289400000000, -0.0022166900000000 ] - [ 0.0003001800000000, -0.0002937400000000, 0.0008889800000000 ] - [ -0.0029618500000000, -0.0030943700000000, 0.0043096500000000 ] - [ -0.0001716800000000, -0.0002917200000000, -0.0003706800000000 ] - [ -0.0185215100000000, 0.0033680700000000, 0.0000000000000000 ] - [ 0.0003540800000000, -0.0002350200000000, 0.0000000000000000 ] - [ -0.0032973600000000, 0.0007800600000000, 0.0000000000000000 ] - [ -0.0008838000000000, 0.0003757500000000, 0.0000000000000000 ] - [ 0.0011349400000000, 0.0002928100000000, 0.0038690500000000 ] - [ 0.0011349400000000, 0.0002928100000000, -0.0038690500000000 ] - [ 0.0010226400000000, -0.0002829300000000, -0.0003588600000000 ] - [ 0.0010226400000000, -0.0002829300000000, 0.0003588600000000 ] - [ -0.0001756300000000, 0.0002694300000000, 0.0000875200000000 ] - [ -0.0012818000000000, 0.0007180600000000, 0.0006897700000000 ] - [ -0.0004927400000000, 0.0002036600000000, -0.0002663800000000 ] - [ -0.0081858400000000, -0.0002919800000000, -0.0006742200000000 ] - [ 0.0003632200000000, -0.0001251400000000, 0.0001767800000000 ] - [ 0.0024222900000000, 0.0009251300000000, -0.0000572900000000 ] - [ 0.0001801700000000, 0.0000347000000000, 0.0000748300000000 ] - [ 0.0029313700000000, 0.0005732800000000, -0.0019789200000000 ] - [ -0.0081858400000000, -0.0002919800000000, 0.0006742200000000 ] - [ -0.0004927400000000, 0.0002036600000000, 0.0002663800000000 ] - [ -0.0012818000000000, 0.0007180600000000, -0.0006897700000000 ] - [ -0.0001756300000000, 0.0002694300000000, -0.0000875200000000 ] - [ 0.0029313700000000, 0.0005732800000000, 0.0019789200000000 ] - [ 0.0001801700000000, 0.0000347000000000, -0.0000748300000000 ] - [ 0.0024222900000000, 0.0009251300000000, 0.0000572900000000 ] - [ 0.0003632200000000, -0.0001251400000000, -0.0001767800000000 ] - [ 0.0020441200000000, 0.0012559600000000, 0.0000000000000000 ] - [ 0.0003856600000000, 0.0001800200000000, 0.0000000000000000 ] - [ -0.0068556800000000, -0.0031882700000000, 0.0000000000000000 ] - [ -0.0003736400000000, 0.0001018700000000, 0.0000000000000000 ] - [ -0.0004876500000000, 0.0006629900000000, 0.0019307700000000 ] - [ -0.0004876500000000, 0.0006629900000000, -0.0019307700000000 ] - [ 0.0004579200000000, -0.0000950400000000, -0.0007249600000000 ] - [ 0.0004579200000000, -0.0000950400000000, 0.0007249600000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0353602700000000, 0.0366796400000000, 0.0000000000000000 ] - [ 0.0001112200000000, 0.0013548400000000, 0.0000000000000000 ] - [ 0.0024323400000000, -0.0030263900000000, 0.0000000000000000 ] - [ -0.0000518200000000, -0.0009971500000000, 0.0000000000000000 ] - [ -0.0006770300000000, 0.0010818300000000, 0.0021511400000000 ] - [ -0.0006770300000000, 0.0010818300000000, -0.0021511400000000 ] - [ 0.0002610500000000, -0.0024357900000000, 0.0032934800000000 ] - [ 0.0002610500000000, -0.0024357900000000, -0.0032934800000000 ] - [ -0.0002173400000000, 0.0035838000000000, 0.0000000000000000 ] - [ 0.0002027400000000, -0.0003305400000000, 0.0000000000000000 ] - [ -0.0003677500000000, -0.0030715000000000, 0.0000000000000000 ] - [ -0.0001955500000000, 0.0001871900000000, 0.0000000000000000 ] - [ 0.0006851500000000, 0.0022439800000000, 0.0001231000000000 ] - [ 0.0006851500000000, 0.0022439800000000, -0.0001231000000000 ] - [ -0.0002993900000000, -0.0012104800000000, -0.0002024500000000 ] - [ -0.0002993900000000, -0.0012104800000000, 0.0002024500000000 ] - [ 0.0001346800000000, 0.0000089600000000, -0.0000824500000000 ] - [ 0.0013195700000000, 0.0009540400000000, 0.0026645500000000 ] - [ 0.0000594700000000, 0.0000173300000000, -0.0000555000000000 ] - [ 0.0005616000000000, -0.0002095400000000, -0.0002318900000000 ] - [ 0.0013195700000000, 0.0009540400000000, -0.0026645500000000 ] - [ 0.0001346800000000, 0.0000089600000000, 0.0000824500000000 ] - [ 0.0005616000000000, -0.0002095400000000, 0.0002318900000000 ] - [ 0.0000594700000000, 0.0000173300000000, 0.0000555000000000 ] - [ -0.0522019200000000, -0.0819542800000000, 0.0000000000000000 ] - [ 0.0002098000000000, 0.0001943700000000, 0.0000000000000000 ] - [ -0.0016819100000000, 0.0050818200000000, 0.0000000000000000 ] - [ -0.0003296000000000, -0.0003166100000000, 0.0000000000000000 ] - [ 0.0010126000000000, -0.0019849900000000, 0.0000030100000000 ] - [ 0.0010126000000000, -0.0019849900000000, -0.0000030100000000 ] - [ -0.0012585800000000, 0.0031035700000000, -0.0000096000000000 ] - [ -0.0012585800000000, 0.0031035700000000, 0.0000096000000000 ] - [ 0.0000338400000000, -0.0000949000000000, 0.0012117000000000 ] - [ 0.0087560200000000, 0.0043108900000000, -0.0076690200000000 ] - [ 0.0000359200000000, 0.0000854600000000, 0.0007088100000000 ] - [ -0.0006949100000000, 0.0004399100000000, -0.0002645000000000 ] - [ 0.0001168200000000, -0.0001567500000000, -0.0009164600000000 ] - [ 0.0031417800000000, 0.0020533900000000, 0.0026784200000000 ] - [ -0.0000754700000000, 0.0001925100000000, -0.0013463600000000 ] - [ -0.0037286100000000, 0.0073270700000000, 0.0074458100000000 ] - [ -0.0006949100000000, 0.0004399100000000, 0.0002645000000000 ] - [ 0.0000359200000000, 0.0000854600000000, -0.0007088100000000 ] - [ 0.0087560200000000, 0.0043108900000000, 0.0076690200000000 ] - [ 0.0000338400000000, -0.0000949000000000, -0.0012117000000000 ] - [ -0.0037286100000000, 0.0073270700000000, -0.0074458100000000 ] - [ -0.0000754700000000, 0.0001925100000000, 0.0013463600000000 ] - [ 0.0031417800000000, 0.0020533900000000, -0.0026784200000000 ] - [ 0.0001168200000000, -0.0001567500000000, 0.0009164600000000 ] - [ -0.0007625100000000, -0.0058314900000000, 0.0000000000000000 ] - [ 0.0005967800000000, -0.0007658000000000, 0.0000000000000000 ] - [ -0.0007665200000000, 0.0027240900000000, 0.0000000000000000 ] - [ -0.0005252900000000, 0.0006380100000000, 0.0000000000000000 ] - [ 0.0003461100000000, -0.0020665900000000, -0.0001259300000000 ] - [ 0.0003461100000000, -0.0020665900000000, 0.0001259300000000 ] - [ -0.0000365400000000, 0.0021166800000000, 0.0002405100000000 ] - [ -0.0000365400000000, 0.0021166800000000, -0.0002405100000000 ] - [ 0.0000463000000000, -0.0001109900000000, 0.0001148400000000 ] - [ -0.0006634700000000, -0.0025158600000000, 0.0001260000000000 ] - [ -0.0001486100000000, 0.0001114600000000, 0.0001846800000000 ] - [ 0.0000579700000000, 0.0104729500000000, 0.0041262500000000 ] - [ 0.0000011200000000, -0.0003451200000000, -0.0002071700000000 ] - [ -0.0008131800000000, -0.0019862600000000, 0.0000918300000000 ] - [ -0.0002304900000000, 0.0003114700000000, -0.0002348500000000 ] - [ -0.0012489100000000, 0.0020295800000000, -0.0000509100000000 ] - [ 0.0000579700000000, 0.0104729500000000, -0.0041262500000000 ] - [ -0.0001486100000000, 0.0001114600000000, -0.0001846800000000 ] - [ -0.0006634700000000, -0.0025158600000000, -0.0001260000000000 ] - [ 0.0000463000000000, -0.0001109900000000, -0.0001148400000000 ] - [ -0.0012489100000000, 0.0020295800000000, 0.0000509100000000 ] - [ -0.0002304900000000, 0.0003114700000000, 0.0002348500000000 ] - [ -0.0008131800000000, -0.0019862600000000, -0.0000918300000000 ] - [ 0.0000011200000000, -0.0003451200000000, 0.0002071700000000 ] - [ -0.0005994300000000, -0.0022202500000000, 0.0000000000000000 ] - [ 0.0002452000000000, -0.0001261500000000, 0.0000000000000000 ] - [ 0.0046173900000000, 0.0019610900000000, 0.0000000000000000 ] - [ -0.0002207000000000, 0.0002200600000000, 0.0000000000000000 ] - [ 0.0007792000000000, -0.0012173400000000, -0.0019505500000000 ] - [ 0.0007792000000000, -0.0012173400000000, 0.0019505500000000 ] - [ -0.0004017200000000, 0.0004811600000000, -0.0007290100000000 ] - [ -0.0004017200000000, 0.0004811600000000, 0.0007290100000000 ]- atom: 25 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0342756000000000, -0.0352126700000000, 0.0000000000000000 ] - [ -0.0001545400000000, 0.0000309000000000, 0.0000000000000000 ] - [ -0.0023548600000000, 0.0016481900000000, 0.0000000000000000 ] - [ 0.0000920200000000, -0.0003900000000000, 0.0000000000000000 ] - [ 0.0006275000000000, -0.0024863500000000, -0.0021547600000000 ] - [ 0.0006275000000000, -0.0024863500000000, 0.0021547600000000 ] - [ -0.0002160100000000, 0.0038262800000000, -0.0033019100000000 ] - [ -0.0002160100000000, 0.0038262800000000, 0.0033019100000000 ] - [ 0.0007073900000000, -0.0045392000000000, 0.0000000000000000 ] - [ 0.0002786300000000, -0.0006271800000000, 0.0000000000000000 ] - [ -0.0001279000000000, 0.0040262500000000, 0.0000000000000000 ] - [ -0.0002862300000000, 0.0007715300000000, 0.0000000000000000 ] - [ -0.0001978900000000, -0.0012893200000000, -0.0001139800000000 ] - [ -0.0001978900000000, -0.0012893200000000, 0.0001139800000000 ] - [ -0.0001813800000000, 0.0002534000000000, 0.0002010300000000 ] - [ -0.0001813800000000, 0.0002534000000000, -0.0002010300000000 ] - [ -0.0001343600000000, -0.0000057200000000, 0.0004290600000000 ] - [ -0.0013466500000000, -0.0008097900000000, -0.0024258000000000 ] - [ -0.0000603100000000, -0.0000184800000000, -0.0002917800000000 ] - [ -0.0005646600000000, 0.0002022900000000, -0.0001179100000000 ] - [ -0.0013466500000000, -0.0008097900000000, 0.0024258000000000 ] - [ -0.0001343600000000, -0.0000057200000000, -0.0004290600000000 ] - [ -0.0005646600000000, 0.0002022900000000, 0.0001179100000000 ] - [ -0.0000603100000000, -0.0000184800000000, 0.0002917800000000 ] - [ 0.0516662300000000, 0.0835060800000000, 0.0000000000000000 ] - [ 0.0005741000000000, 0.0009791900000000, 0.0000000000000000 ] - [ 0.0008594000000000, -0.0062410300000000, 0.0000000000000000 ] - [ -0.0004799100000000, -0.0008667500000000, 0.0000000000000000 ] - [ -0.0002002400000000, 0.0007996800000000, -0.0000088600000000 ] - [ -0.0002002400000000, 0.0007996800000000, 0.0000088600000000 ] - [ 0.0004814200000000, -0.0019365500000000, 0.0000128900000000 ] - [ 0.0004814200000000, -0.0019365500000000, -0.0000128900000000 ] - [ 0.0001208100000000, 0.0000209300000000, -0.0003128900000000 ] - [ -0.0085392500000000, -0.0044007400000000, 0.0085231500000000 ] - [ -0.0001878100000000, -0.0000068000000000, 0.0002041200000000 ] - [ 0.0005363600000000, -0.0003780900000000, 0.0011726900000000 ] - [ 0.0000328700000000, 0.0002470600000000, -0.0000015400000000 ] - [ -0.0030107400000000, -0.0019625500000000, -0.0036153400000000 ] - [ -0.0000797100000000, -0.0002584100000000, 0.0004555700000000 ] - [ 0.0036147900000000, -0.0074217300000000, -0.0084010400000000 ] - [ 0.0005363600000000, -0.0003780900000000, -0.0011726900000000 ] - [ -0.0001878100000000, -0.0000068000000000, -0.0002041200000000 ] - [ -0.0085392500000000, -0.0044007400000000, -0.0085231500000000 ] - [ 0.0001208100000000, 0.0000209300000000, 0.0003128900000000 ] - [ 0.0036147900000000, -0.0074217300000000, 0.0084010400000000 ] - [ -0.0000797100000000, -0.0002584100000000, -0.0004555700000000 ] - [ -0.0030107400000000, -0.0019625500000000, 0.0036153400000000 ] - [ 0.0000328700000000, 0.0002470600000000, 0.0000015400000000 ] - [ 0.0017546100000000, 0.0050805400000000, 0.0000000000000000 ] - [ 0.0004746700000000, -0.0000195700000000, 0.0000000000000000 ] - [ -0.0003068100000000, -0.0019394100000000, 0.0000000000000000 ] - [ -0.0005297800000000, 0.0001375600000000, 0.0000000000000000 ] - [ 0.0007189100000000, 0.0028466800000000, 0.0001021900000000 ] - [ 0.0007189100000000, 0.0028466800000000, -0.0001021900000000 ] - [ -0.0010383400000000, -0.0029073700000000, -0.0002348700000000 ] - [ -0.0010383400000000, -0.0029073700000000, 0.0002348700000000 ] - [ 0.0001363800000000, 0.0003213400000000, 0.0000233600000000 ] - [ 0.0008476000000000, 0.0027336700000000, 0.0000298800000000 ] - [ -0.0000316600000000, -0.0003235500000000, -0.0000417900000000 ] - [ -0.0003287400000000, -0.0108544300000000, -0.0043586500000000 ] - [ 0.0001809600000000, 0.0001396200000000, 0.0000644600000000 ] - [ 0.0009983100000000, 0.0017797500000000, -0.0002320500000000 ] - [ 0.0000468600000000, -0.0001038500000000, 0.0000957300000000 ] - [ 0.0010707800000000, -0.0018127200000000, -0.0000990400000000 ] - [ -0.0003287400000000, -0.0108544300000000, 0.0043586500000000 ] - [ -0.0000316600000000, -0.0003235500000000, 0.0000417900000000 ] - [ 0.0008476000000000, 0.0027336700000000, -0.0000298800000000 ] - [ 0.0001363800000000, 0.0003213400000000, -0.0000233600000000 ] - [ 0.0010707800000000, -0.0018127200000000, 0.0000990400000000 ] - [ 0.0000468600000000, -0.0001038500000000, -0.0000957300000000 ] - [ 0.0009983100000000, 0.0017797500000000, 0.0002320500000000 ] - [ 0.0001809600000000, 0.0001396200000000, -0.0000644600000000 ] - [ 0.0012223300000000, 0.0022247900000000, 0.0000000000000000 ] - [ 0.0003587200000000, 0.0001274800000000, 0.0000000000000000 ] - [ -0.0049238200000000, -0.0023432800000000, 0.0000000000000000 ] - [ -0.0003828200000000, -0.0002247600000000, 0.0000000000000000 ] - [ -0.0001765500000000, 0.0012190700000000, 0.0019547500000000 ] - [ -0.0001765500000000, 0.0012190700000000, -0.0019547500000000 ] - [ -0.0002021700000000, -0.0004776300000000, 0.0007286000000000 ] - [ -0.0002021700000000, -0.0004776300000000, -0.0007286000000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0002614900000000, 0.0005929800000000, 0.0201787600000000 ] - [ -0.0000314600000000, 0.0006926100000000, -0.0026783600000000 ] - [ 0.0000249200000000, -0.0006920900000000, 0.0048642300000000 ] - [ 0.0000274200000000, -0.0006962800000000, -0.0025128700000000 ] - [ 0.0031592600000000, 0.0018757200000000, -0.0014602600000000 ] - [ -0.0031884400000000, -0.0032478200000000, -0.0014672800000000 ] - [ -0.0003566300000000, 0.0011678500000000, -0.0027995700000000 ] - [ 0.0004067200000000, 0.0002276500000000, -0.0028056600000000 ] - [ 0.0002432100000000, -0.0004810400000000, 0.0046599300000000 ] - [ 0.0002424600000000, -0.0004786100000000, -0.0015449300000000 ] - [ -0.0002403200000000, 0.0004813600000000, 0.0027077800000000 ] - [ -0.0002409300000000, 0.0004789700000000, -0.0011491600000000 ] - [ -0.0017610100000000, 0.0007429300000000, -0.0030126400000000 ] - [ 0.0022197900000000, 0.0002146000000000, -0.0029926700000000 ] - [ -0.0001225300000000, -0.0003333900000000, -0.0002597700000000 ] - [ -0.0003581800000000, -0.0006226300000000, -0.0002634800000000 ] - [ -0.0000460400000000, -0.0004737900000000, -0.0011835400000000 ] - [ -0.0011637100000000, 0.0031271000000000, 0.0020663500000000 ] - [ 0.0000037000000000, 0.0000181800000000, -0.0010867500000000 ] - [ 0.0003583700000000, -0.0000397500000000, 0.0007748400000000 ] - [ 0.0011353100000000, -0.0030266500000000, 0.0018281100000000 ] - [ 0.0000448100000000, 0.0004698400000000, -0.0015323900000000 ] - [ -0.0003579500000000, 0.0000352900000000, 0.0011339000000000 ] - [ -0.0000035400000000, -0.0000179300000000, -0.0007358900000000 ] - [ 0.0009419700000000, 0.0012448700000000, -0.0753078400000000 ] - [ 0.0003935900000000, 0.0005873800000000, 0.0025009200000000 ] - [ -0.0004091700000000, -0.0006071400000000, -0.0031918500000000 ] - [ -0.0003999800000000, -0.0005921500000000, 0.0017459900000000 ] - [ -0.0003025900000000, -0.0005931900000000, 0.0004001700000000 ] - [ 0.0011170400000000, -0.0006033800000000, 0.0004129900000000 ] - [ 0.0005692100000000, 0.0005979400000000, 0.0011614200000000 ] - [ -0.0013522200000000, 0.0005718900000000, 0.0011643600000000 ] - [ 0.0002499300000000, -0.0002621000000000, 0.0027546600000000 ] - [ -0.0076202000000000, -0.0065522500000000, 0.0005951500000000 ] - [ -0.0003637500000000, 0.0007295000000000, 0.0024131600000000 ] - [ 0.0007242600000000, -0.0014812900000000, -0.0016415800000000 ] - [ -0.0003909100000000, -0.0012175500000000, 0.0017964300000000 ] - [ 0.0026061400000000, 0.0025618600000000, -0.0012729800000000 ] - [ 0.0001515000000000, -0.0000495000000000, 0.0017384800000000 ] - [ -0.0027398700000000, 0.0063576000000000, 0.0011227500000000 ] - [ -0.0008766700000000, 0.0015683200000000, -0.0025827400000000 ] - [ 0.0002114800000000, -0.0006468500000000, 0.0015053300000000 ] - [ 0.0078000300000000, 0.0065019700000000, -0.0003574600000000 ] - [ -0.0000932200000000, 0.0001980900000000, 0.0018664000000000 ] - [ 0.0026005900000000, -0.0064571600000000, 0.0020026900000000 ] - [ -0.0003025900000000, -0.0000232100000000, 0.0026378900000000 ] - [ -0.0024739300000000, -0.0024804000000000, -0.0003516300000000 ] - [ 0.0005323800000000, 0.0013015900000000, 0.0027287800000000 ] - [ 0.0004978300000000, -0.0003861400000000, -0.0053357900000000 ] - [ 0.0005392700000000, -0.0003972400000000, 0.0016051500000000 ] - [ -0.0005286700000000, 0.0003871800000000, -0.0027345900000000 ] - [ -0.0005324800000000, 0.0003910900000000, 0.0016513700000000 ] - [ -0.0031939800000000, -0.0007746600000000, 0.0073461800000000 ] - [ 0.0042042000000000, 0.0015379100000000, 0.0072853700000000 ] - [ -0.0010553200000000, -0.0002571500000000, 0.0012030400000000 ] - [ -0.0000253200000000, -0.0005406500000000, 0.0012073300000000 ] - [ 0.0001717200000000, 0.0003235900000000, -0.0008347000000000 ] - [ -0.0004649400000000, -0.0007948300000000, 0.0009890500000000 ] - [ -0.0004760900000000, 0.0002548400000000, -0.0015433900000000 ] - [ 0.0006629800000000, 0.0047206300000000, 0.0155727600000000 ] - [ -0.0000310100000000, -0.0000510600000000, -0.0008633400000000 ] - [ 0.0010209200000000, 0.0006379500000000, 0.0007895900000000 ] - [ -0.0000152100000000, 0.0000179500000000, -0.0009209400000000 ] - [ 0.0006887700000000, -0.0005775000000000, 0.0007557400000000 ] - [ -0.0010700900000000, -0.0055626500000000, 0.0162371000000000 ] - [ 0.0002915600000000, -0.0004626800000000, -0.0016808900000000 ] - [ 0.0006456300000000, 0.0010119700000000, 0.0008487800000000 ] - [ 0.0000087800000000, -0.0001100000000000, -0.0009749400000000 ] - [ -0.0008658100000000, 0.0007881500000000, 0.0009081500000000 ] - [ -0.0001658800000000, 0.0001951700000000, -0.0007861800000000 ] - [ -0.0008325900000000, -0.0008420600000000, 0.0009322400000000 ] - [ 0.0002117500000000, -0.0001596300000000, -0.0007262200000000 ] - [ 0.0002988200000000, -0.0000016100000000, 0.0020319500000000 ] - [ 0.0003055200000000, 0.0000001100000000, -0.0012898300000000 ] - [ -0.0003025000000000, -0.0000133000000000, 0.0090519300000000 ] - [ -0.0002999000000000, -0.0000008900000000, -0.0012378100000000 ] - [ 0.0001665700000000, -0.0003934200000000, -0.0015249200000000 ] - [ 0.0004290700000000, 0.0003919900000000, -0.0015350800000000 ] - [ 0.0007810600000000, -0.0007869600000000, -0.0004971000000000 ] - [ -0.0013714000000000, 0.0007839500000000, -0.0005002400000000 ]- atom: 33 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0001787100000000, 0.0006818900000000, -0.0000577300000000 ] - [ 0.0192068600000000, 0.0066431900000000, -0.0113887400000000 ] - [ -0.0003125600000000, -0.0010025000000000, 0.0002617700000000 ] - [ -0.0055425800000000, -0.0031124800000000, -0.0042280600000000 ] - [ -0.0039446700000000, -0.0008787700000000, 0.0003139400000000 ] - [ -0.0006415200000000, -0.0007458900000000, 0.0000512900000000 ] - [ 0.0044715500000000, 0.0018741900000000, -0.0006764600000000 ] - [ 0.0003063600000000, 0.0005694200000000, 0.0001537800000000 ] - [ 0.0000638800000000, -0.0004291600000000, 0.0000421600000000 ] - [ -0.0022545500000000, 0.0000775900000000, -0.0005904600000000 ] - [ -0.0000728100000000, 0.0004837900000000, -0.0000773800000000 ] - [ 0.0029405700000000, 0.0016391800000000, 0.0007374500000000 ] - [ 0.0038674700000000, -0.0002115600000000, -0.0004868500000000 ] - [ 0.0005464400000000, 0.0003975700000000, 0.0001499600000000 ] - [ -0.0016226000000000, -0.0010797000000000, 0.0006838800000000 ] - [ -0.0004087100000000, -0.0005811000000000, -0.0001383300000000 ] - [ 0.0037401200000000, 0.0003190200000000, 0.0001409700000000 ] - [ -0.0000376000000000, 0.0000391900000000, 0.0001978600000000 ] - [ 0.0001610100000000, 0.0002055000000000, 0.0001502300000000 ] - [ 0.0000109900000000, 0.0000062700000000, -0.0001901500000000 ] - [ -0.0005861100000000, -0.0000571400000000, -0.0013812600000000 ] - [ -0.0006079200000000, 0.0005482200000000, 0.0010315900000000 ] - [ 0.0000736600000000, 0.0000296900000000, 0.0006122900000000 ] - [ 0.0000547900000000, 0.0001443200000000, -0.0005564500000000 ] - [ 0.0002601000000000, 0.0005572100000000, 0.0001713900000000 ] - [ 0.0054530300000000, 0.0092086700000000, -0.0076781400000000 ] - [ -0.0000548300000000, -0.0004841700000000, 0.0002845400000000 ] - [ 0.0041026000000000, -0.0011978800000000, -0.0007924900000000 ] - [ 0.0034450900000000, -0.0036832700000000, -0.0025511500000000 ] - [ 0.0006537200000000, -0.0006421600000000, 0.0004649700000000 ] - [ -0.0025488000000000, 0.0042656300000000, -0.0026684100000000 ] - [ -0.0007647100000000, 0.0005867300000000, 0.0002254700000000 ] - [ -0.0715879900000000, -0.0125563100000000, 0.0098978200000000 ] - [ -0.0000161900000000, -0.0000530800000000, 0.0003870900000000 ] - [ 0.0138294700000000, 0.0014977800000000, 0.0015015400000000 ] - [ 0.0000251600000000, 0.0000327100000000, 0.0004255400000000 ] - [ 0.0019245300000000, 0.0002870200000000, -0.0003888900000000 ] - [ 0.0001979100000000, 0.0000922600000000, -0.0005196200000000 ] - [ -0.0017518900000000, 0.0002043300000000, -0.0002362400000000 ] - [ -0.0001671200000000, 0.0000068400000000, -0.0004934100000000 ] - [ 0.0006202600000000, 0.0001827200000000, -0.0013385000000000 ] - [ 0.0009066600000000, -0.0000584600000000, 0.0009399100000000 ] - [ -0.0015308500000000, -0.0000333800000000, -0.0004300500000000 ] - [ -0.0035052400000000, -0.0001810400000000, -0.0009155200000000 ] - [ -0.0010895200000000, -0.0002349100000000, 0.0007985800000000 ] - [ -0.0010894500000000, 0.0004257400000000, 0.0000594700000000 ] - [ 0.0012030000000000, 0.0000154700000000, 0.0005456100000000 ] - [ 0.0011999800000000, 0.0004463400000000, 0.0002678900000000 ] - [ 0.0002763100000000, -0.0003218900000000, -0.0001950100000000 ] - [ -0.0010458600000000, -0.0072239500000000, 0.0055149500000000 ] - [ -0.0004798200000000, 0.0004343400000000, -0.0002326200000000 ] - [ 0.0016113800000000, 0.0029712400000000, 0.0024444000000000 ] - [ 0.0046748700000000, 0.0025704500000000, 0.0016049400000000 ] - [ 0.0009944100000000, 0.0004260900000000, -0.0006478500000000 ] - [ 0.0010859500000000, -0.0050689800000000, 0.0036806300000000 ] - [ -0.0005514300000000, -0.0004132800000000, -0.0001494800000000 ] - [ -0.0007979700000000, 0.0010330900000000, 0.0002949600000000 ] - [ 0.0000804200000000, 0.0001187600000000, 0.0000676400000000 ] - [ -0.0011508500000000, -0.0020925200000000, -0.0008215000000000 ] - [ -0.0000827900000000, -0.0001662600000000, 0.0001239400000000 ] - [ 0.0132603700000000, 0.0046341200000000, -0.0003905200000000 ] - [ 0.0001418100000000, -0.0000763600000000, -0.0000711900000000 ] - [ 0.0065803200000000, 0.0008742600000000, 0.0012236800000000 ] - [ -0.0000374600000000, 0.0000735600000000, -0.0000717900000000 ] - [ -0.0000474000000000, -0.0003213800000000, -0.0005025700000000 ] - [ -0.0002754400000000, -0.0009161000000000, 0.0013719500000000 ] - [ -0.0001248200000000, 0.0004363100000000, -0.0007133600000000 ] - [ 0.0000637200000000, 0.0001212900000000, 0.0002525200000000 ] - [ 0.0000075600000000, 0.0001288100000000, 0.0011411500000000 ] - [ 0.0000892100000000, -0.0002363500000000, -0.0010691100000000 ] - [ 0.0001943800000000, -0.0001444100000000, 0.0009404000000000 ] - [ 0.0005135200000000, 0.0000527900000000, -0.0010414900000000 ] - [ 0.0002152000000000, 0.0000040700000000, -0.0000005100000000 ] - [ -0.0008966100000000, -0.0001421000000000, -0.0000902800000000 ] - [ -0.0002162500000000, 0.0000148200000000, -0.0000443600000000 ] - [ 0.0020146300000000, -0.0007503400000000, 0.0001561400000000 ] - [ 0.0072851000000000, -0.0011353900000000, 0.0031151200000000 ] - [ 0.0002643900000000, 0.0001192400000000, 0.0001431600000000 ] - [ -0.0024531100000000, 0.0005997500000000, 0.0014225100000000 ] - [ -0.0004994200000000, 0.0001507900000000, -0.0001691100000000 ]- atom: 33 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0002038000000000, 0.0006674900000000, 0.0000551000000000 ] - [ -0.0190391400000000, -0.0050444200000000, 0.0109640700000000 ] - [ 0.0003502500000000, -0.0003660000000000, -0.0002542200000000 ] - [ 0.0055770700000000, 0.0017144800000000, 0.0041837000000000 ] - [ 0.0039248800000000, -0.0004624700000000, -0.0003093900000000 ] - [ 0.0006035100000000, -0.0006252500000000, -0.0000533100000000 ] - [ -0.0044391600000000, -0.0004969000000000, 0.0006693900000000 ] - [ -0.0002753100000000, 0.0008055700000000, -0.0001488600000000 ] - [ 0.0004177900000000, -0.0005246700000000, -0.0000372600000000 ] - [ 0.0027409700000000, -0.0010240700000000, 0.0005807100000000 ] - [ -0.0004120700000000, 0.0004756300000000, 0.0000776300000000 ] - [ -0.0034362900000000, -0.0006647000000000, -0.0007275900000000 ] - [ -0.0033916600000000, 0.0011501400000000, 0.0004707500000000 ] - [ -0.0000652400000000, 0.0005537600000000, -0.0001454800000000 ] - [ 0.0011391800000000, 0.0001140900000000, -0.0006758700000000 ] - [ -0.0000751300000000, -0.0003784000000000, 0.0001374900000000 ] - [ -0.0044370400000000, -0.0002943400000000, 0.0001937100000000 ] - [ 0.0000342000000000, -0.0000368600000000, 0.0001596100000000 ] - [ -0.0001584800000000, -0.0002097400000000, -0.0005110700000000 ] - [ -0.0000135800000000, -0.0000059600000000, -0.0001657700000000 ] - [ 0.0005825500000000, 0.0000555100000000, 0.0010327300000000 ] - [ 0.0006034600000000, -0.0005462100000000, -0.0013975900000000 ] - [ -0.0000726800000000, -0.0000288800000000, -0.0002539300000000 ] - [ -0.0000544300000000, -0.0001549500000000, 0.0009151900000000 ] - [ 0.0005628700000000, 0.0006441200000000, -0.0001726200000000 ] - [ -0.0046393000000000, -0.0080784300000000, 0.0077416900000000 ] - [ -0.0007377900000000, -0.0007059200000000, -0.0002886500000000 ] - [ -0.0048972800000000, 0.0000358300000000, 0.0008121400000000 ] - [ -0.0026291600000000, 0.0024678800000000, 0.0025377600000000 ] - [ 0.0001512100000000, -0.0005532500000000, -0.0004657300000000 ] - [ 0.0017403400000000, -0.0030798800000000, 0.0026714800000000 ] - [ -0.0000026800000000, 0.0005881000000000, -0.0002287200000000 ] - [ 0.0709544700000000, 0.0121055200000000, -0.0085159700000000 ] - [ 0.0001543900000000, -0.0000364600000000, 0.0005405500000000 ] - [ -0.0138389800000000, -0.0014149600000000, -0.0005994400000000 ] - [ -0.0001718800000000, 0.0000303000000000, 0.0004688000000000 ] - [ -0.0017871700000000, -0.0001980600000000, -0.0005396600000000 ] - [ -0.0000587900000000, -0.0000148600000000, -0.0003929300000000 ] - [ 0.0016143700000000, -0.0002658400000000, -0.0006614400000000 ] - [ 0.0000236700000000, -0.0000736600000000, -0.0004121900000000 ] - [ -0.0007652700000000, -0.0001123500000000, 0.0004241100000000 ] - [ -0.0010609900000000, 0.0001225400000000, -0.0018213400000000 ] - [ 0.0016704800000000, -0.0000475600000000, -0.0004787000000000 ] - [ 0.0036483800000000, 0.0000967100000000, -0.0000564200000000 ] - [ 0.0009483900000000, 0.0001695400000000, 0.0001065100000000 ] - [ 0.0009477200000000, -0.0004856000000000, 0.0008396500000000 ] - [ -0.0010608400000000, 0.0000651800000000, 0.0003724600000000 ] - [ -0.0010633000000000, -0.0003687000000000, 0.0006405700000000 ] - [ 0.0007777400000000, -0.0004540100000000, 0.0001925200000000 ] - [ 0.0020545000000000, 0.0064482200000000, -0.0055157600000000 ] - [ -0.0006161400000000, 0.0003741800000000, 0.0002329100000000 ] - [ -0.0027087700000000, -0.0021530200000000, -0.0024315200000000 ] - [ -0.0036326500000000, -0.0018188000000000, -0.0016197800000000 ] - [ 0.0000937000000000, 0.0003786500000000, 0.0006516300000000 ] - [ -0.0021691700000000, 0.0042798300000000, -0.0036999600000000 ] - [ -0.0005422900000000, -0.0003990200000000, 0.0001508600000000 ] - [ 0.0009776600000000, -0.0008293600000000, -0.0001485100000000 ] - [ 0.0001016700000000, 0.0000952200000000, 0.0000798800000000 ] - [ 0.0009688600000000, 0.0018909800000000, 0.0009627900000000 ] - [ -0.0000947100000000, -0.0000495300000000, 0.0000222700000000 ] - [ -0.0125164100000000, -0.0042513100000000, 0.0002037500000000 ] - [ 0.0000423500000000, -0.0001371400000000, -0.0000683100000000 ] - [ -0.0061469300000000, -0.0010701100000000, -0.0013776200000000 ] - [ -0.0001427100000000, 0.0001353600000000, -0.0000716800000000 ] - [ -0.0001330800000000, 0.0001072200000000, 0.0003624200000000 ] - [ 0.0000971900000000, 0.0006963700000000, -0.0015169700000000 ] - [ 0.0003042800000000, -0.0002204400000000, 0.0005671400000000 ] - [ 0.0001153800000000, 0.0000920400000000, -0.0004036700000000 ] - [ -0.0001798200000000, 0.0000856600000000, -0.0009921900000000 ] - [ -0.0002617500000000, 0.0004525300000000, 0.0012117400000000 ] - [ -0.0000073000000000, -0.0000715200000000, -0.0007906500000000 ] - [ -0.0003198300000000, -0.0002554100000000, 0.0011766700000000 ] - [ 0.0003968400000000, -0.0000069600000000, -0.0000006400000000 ] - [ 0.0015097200000000, 0.0001337700000000, 0.0000861700000000 ] - [ -0.0003977000000000, -0.0000182200000000, 0.0000436900000000 ] - [ -0.0026400000000000, 0.0007418000000000, -0.0001532300000000 ] - [ -0.0066042300000000, 0.0011148700000000, -0.0030579400000000 ] - [ 0.0003449600000000, -0.0001136500000000, -0.0001353500000000 ] - [ 0.0018380700000000, -0.0005920300000000, -0.0014088600000000 ] - [ -0.0001121300000000, -0.0001492000000000, 0.0001665300000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000038800000000, 0.0009130600000000, 0.0004999400000000 ] - [ 0.0063019200000000, 0.0447721600000000, -0.0459300200000000 ] - [ -0.0000288400000000, -0.0003814800000000, 0.0005985600000000 ] - [ -0.0014431900000000, 0.0025612500000000, -0.0014177100000000 ] - [ 0.0009890700000000, -0.0030549900000000, -0.0003712000000000 ] - [ 0.0002193300000000, -0.0010273000000000, 0.0008393600000000 ] - [ 0.0023351100000000, -0.0062030000000000, 0.0013502000000000 ] - [ 0.0001211000000000, 0.0002132900000000, 0.0005946700000000 ] - [ 0.0002527500000000, -0.0003834100000000, 0.0000218800000000 ] - [ 0.0007157100000000, -0.0000256500000000, -0.0001923600000000 ] - [ -0.0002052000000000, 0.0005316200000000, 0.0006176600000000 ] - [ 0.0013168400000000, -0.0027010600000000, -0.0046023300000000 ] - [ -0.0005827500000000, -0.0003471200000000, -0.0033356200000000 ] - [ 0.0001743200000000, 0.0005735400000000, 0.0007967500000000 ] - [ -0.0007802000000000, -0.0007490300000000, 0.0002567900000000 ] - [ -0.0003069800000000, -0.0006179600000000, -0.0001028200000000 ] - [ 0.0006180700000000, 0.0046792500000000, -0.0001568900000000 ] - [ -0.0000057700000000, 0.0001543200000000, 0.0004194200000000 ] - [ -0.0000545000000000, -0.0034463100000000, -0.0012363700000000 ] - [ -0.0000564800000000, -0.0001945700000000, 0.0001150500000000 ] - [ 0.0001641200000000, 0.0009714600000000, 0.0001352500000000 ] - [ -0.0000578300000000, 0.0013472300000000, -0.0001440900000000 ] - [ -0.0003266500000000, -0.0010954100000000, 0.0004788000000000 ] - [ 0.0001578100000000, -0.0018815600000000, 0.0006913400000000 ] - [ 0.0001863600000000, 0.0005430900000000, -0.0002305700000000 ] - [ 0.0090083700000000, 0.0049550700000000, -0.0064985600000000 ] - [ -0.0005931800000000, -0.0005419100000000, -0.0006861300000000 ] - [ -0.0023368300000000, -0.0001922500000000, 0.0015244500000000 ] - [ -0.0027159600000000, 0.0014206500000000, 0.0025208100000000 ] - [ 0.0000833000000000, -0.0008025900000000, -0.0012591200000000 ] - [ 0.0024743700000000, 0.0079837000000000, -0.0064394500000000 ] - [ -0.0006432900000000, 0.0008132600000000, 0.0000145900000000 ] - [ -0.0125512200000000, -0.0927524800000000, 0.0833515900000000 ] - [ 0.0000611900000000, -0.0001741300000000, 0.0000794000000000 ] - [ 0.0013587000000000, -0.0038472100000000, 0.0010835600000000 ] - [ -0.0000750800000000, -0.0003574900000000, -0.0000718700000000 ] - [ -0.0001734800000000, 0.0024006700000000, 0.0000198600000000 ] - [ 0.0000183200000000, 0.0004285600000000, -0.0010585800000000 ] - [ -0.0003160300000000, 0.0058513700000000, 0.0008458100000000 ] - [ -0.0001114600000000, 0.0001271300000000, -0.0009603100000000 ] - [ 0.0000751200000000, -0.0009541600000000, -0.0008261400000000 ] - [ -0.0001641800000000, -0.0021315200000000, 0.0002488800000000 ] - [ 0.0000789600000000, -0.0023054600000000, -0.0011821700000000 ] - [ -0.0000764900000000, -0.0049362000000000, -0.0006001700000000 ] - [ -0.0005333100000000, 0.0020704200000000, -0.0005725700000000 ] - [ 0.0001298500000000, 0.0020736700000000, -0.0000715100000000 ] - [ -0.0003314900000000, 0.0016911300000000, 0.0009515500000000 ] - [ 0.0000984000000000, 0.0016945300000000, -0.0000008400000000 ] - [ 0.0007832600000000, -0.0004800900000000, -0.0001765300000000 ] - [ -0.0076685400000000, 0.0100948500000000, -0.0102890100000000 ] - [ -0.0002513500000000, 0.0003263600000000, -0.0008541400000000 ] - [ 0.0038309600000000, 0.0035473500000000, 0.0033375400000000 ] - [ 0.0021729900000000, 0.0007630500000000, 0.0013021600000000 ] - [ 0.0007128200000000, 0.0003434400000000, -0.0009241300000000 ] - [ -0.0043709700000000, 0.0030627500000000, -0.0038535500000000 ] - [ -0.0003979100000000, -0.0002196800000000, -0.0000894400000000 ] - [ 0.0012286500000000, -0.0017481200000000, -0.0002572600000000 ] - [ 0.0001091200000000, -0.0000332600000000, 0.0002909200000000 ] - [ -0.0012153300000000, -0.0023664900000000, -0.0009244500000000 ] - [ 0.0000005400000000, -0.0001687800000000, 0.0003396400000000 ] - [ 0.0045396700000000, 0.0116196800000000, -0.0008175500000000 ] - [ 0.0001353500000000, -0.0000365700000000, 0.0001300800000000 ] - [ 0.0001168300000000, 0.0087586700000000, -0.0013597600000000 ] - [ -0.0001379300000000, 0.0002958200000000, 0.0001911900000000 ] - [ 0.0001084300000000, -0.0006155600000000, -0.0004682400000000 ] - [ -0.0001665000000000, -0.0010958800000000, 0.0012984400000000 ] - [ 0.0004466800000000, -0.0004822700000000, 0.0007766200000000 ] - [ 0.0000751800000000, -0.0006418300000000, -0.0006827100000000 ] - [ -0.0000526800000000, 0.0007739200000000, -0.0006075700000000 ] - [ 0.0003605200000000, 0.0018586700000000, 0.0017333500000000 ] - [ -0.0003170500000000, 0.0006996300000000, 0.0015412300000000 ] - [ -0.0000199400000000, 0.0004451500000000, -0.0013561900000000 ] - [ 0.0002278900000000, -0.0002202100000000, 0.0001822200000000 ] - [ 0.0000867300000000, -0.0016986500000000, -0.0001549200000000 ] - [ -0.0003263500000000, -0.0001604500000000, 0.0003523700000000 ] - [ -0.0012243000000000, -0.0030204300000000, -0.0002149700000000 ] - [ -0.0010840400000000, 0.0110380400000000, -0.0088622000000000 ] - [ 0.0003406500000000, 0.0000567000000000, 0.0001653200000000 ] - [ -0.0001725400000000, 0.0013030600000000, 0.0000205400000000 ] - [ -0.0003434300000000, 0.0003349100000000, 0.0001222500000000 ]- atom: 33 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000046700000000, 0.0004187100000000, -0.0005053600000000 ] - [ -0.0065752600000000, -0.0437115500000000, 0.0476291400000000 ] - [ 0.0000339600000000, -0.0009641100000000, -0.0005942400000000 ] - [ 0.0014739800000000, -0.0039140700000000, 0.0014350400000000 ] - [ -0.0010257700000000, 0.0016833600000000, 0.0003731800000000 ] - [ -0.0002221900000000, -0.0003181700000000, -0.0008453400000000 ] - [ -0.0022842100000000, 0.0075637900000000, -0.0013137100000000 ] - [ -0.0001282300000000, 0.0011429100000000, -0.0005924700000000 ] - [ 0.0002282500000000, -0.0005714100000000, -0.0000202900000000 ] - [ -0.0002374300000000, -0.0009358000000000, 0.0001950700000000 ] - [ -0.0002779000000000, 0.0004285800000000, -0.0006163800000000 ] - [ -0.0018097000000000, 0.0037585400000000, 0.0046506900000000 ] - [ 0.0010515100000000, 0.0011826100000000, 0.0032647300000000 ] - [ 0.0003068300000000, 0.0003764400000000, -0.0007952100000000 ] - [ 0.0002947900000000, -0.0002030900000000, -0.0002578200000000 ] - [ -0.0001756800000000, -0.0003363600000000, 0.0001028600000000 ] - [ -0.0006053100000000, -0.0046779600000000, 0.0005144300000000 ] - [ 0.0000025500000000, -0.0001520400000000, -0.0000642300000000 ] - [ 0.0000425600000000, 0.0034476400000000, 0.0008803700000000 ] - [ 0.0000554100000000, 0.0001956500000000, -0.0004698800000000 ] - [ -0.0001679300000000, -0.0009698300000000, -0.0004941700000000 ] - [ 0.0000539200000000, -0.0013469900000000, -0.0002113100000000 ] - [ 0.0003258400000000, 0.0010943800000000, -0.0001213400000000 ] - [ -0.0001564100000000, 0.0018779000000000, -0.0003384300000000 ] - [ 0.0006083800000000, 0.0006341400000000, 0.0002330300000000 ] - [ -0.0082731200000000, -0.0037643500000000, 0.0065568000000000 ] - [ -0.0002129000000000, -0.0006426200000000, 0.0006862700000000 ] - [ 0.0015247500000000, -0.0010029800000000, -0.0015270400000000 ] - [ 0.0035512100000000, -0.0025967400000000, -0.0025304400000000 ] - [ 0.0007551000000000, -0.0003917400000000, 0.0012646200000000 ] - [ -0.0032278900000000, -0.0067746100000000, 0.0063790600000000 ] - [ -0.0001197600000000, 0.0003429400000000, -0.0000165200000000 ] - [ 0.0121278600000000, 0.0928166300000000, -0.0838524400000000 ] - [ 0.0000940200000000, 0.0001067400000000, 0.0008144100000000 ] - [ -0.0015583000000000, 0.0039076400000000, -0.0001789500000000 ] - [ -0.0000807200000000, 0.0004282500000000, 0.0009694000000000 ] - [ 0.0003226800000000, -0.0023116800000000, -0.0009466600000000 ] - [ 0.0001269200000000, -0.0003441300000000, 0.0001399900000000 ] - [ 0.0001505100000000, -0.0059101400000000, -0.0017375300000000 ] - [ -0.0000383400000000, -0.0001901800000000, 0.0000731200000000 ] - [ -0.0002242100000000, 0.0010262300000000, -0.0000806900000000 ] - [ 0.0000072400000000, 0.0022048900000000, -0.0011542800000000 ] - [ 0.0000726300000000, 0.0022369000000000, 0.0003238200000000 ] - [ 0.0002234600000000, 0.0048495600000000, -0.0003669600000000 ] - [ 0.0003769800000000, -0.0021342700000000, 0.0014592800000000 ] - [ -0.0002893400000000, -0.0021252800000000, 0.0009558300000000 ] - [ 0.0004837100000000, -0.0016080000000000, -0.0000372700000000 ] - [ 0.0000528000000000, -0.0016098000000000, 0.0009270500000000 ] - [ 0.0002923100000000, -0.0003116700000000, 0.0001751500000000 ] - [ 0.0088474900000000, -0.0109597600000000, 0.0104178500000000 ] - [ -0.0008271800000000, 0.0004642400000000, 0.0008519900000000 ] - [ -0.0048732200000000, -0.0027618400000000, -0.0033207700000000 ] - [ -0.0011238300000000, 0.0000243600000000, -0.0013011200000000 ] - [ 0.0003502600000000, 0.0004413400000000, 0.0009268400000000 ] - [ 0.0032448200000000, -0.0038840300000000, 0.0038263000000000 ] - [ -0.0007041500000000, -0.0006011800000000, 0.0000884400000000 ] - [ -0.0010318400000000, 0.0019622400000000, 0.0004012000000000 ] - [ 0.0000708100000000, 0.0002468600000000, -0.0001496100000000 ] - [ 0.0010532000000000, 0.0021545500000000, 0.0010630700000000 ] - [ -0.0001809500000000, -0.0000449400000000, -0.0001964300000000 ] - [ -0.0037957600000000, -0.0113976800000000, 0.0006403300000000 ] - [ 0.0000489500000000, -0.0001760300000000, -0.0002720600000000 ] - [ -0.0000280400000000, -0.0087456300000000, 0.0012170700000000 ] - [ -0.0000381300000000, -0.0000845200000000, -0.0003353800000000 ] - [ -0.0002886700000000, 0.0004013000000000, 0.0003279200000000 ] - [ -0.0000172100000000, 0.0008843300000000, -0.0014378800000000 ] - [ -0.0002651900000000, 0.0006934800000000, -0.0009189800000000 ] - [ 0.0001076400000000, 0.0008528800000000, 0.0005382600000000 ] - [ -0.0001212900000000, -0.0005595100000000, 0.0007483200000000 ] - [ -0.0005325100000000, -0.0016623200000000, -0.0015964700000000 ] - [ 0.0005010700000000, -0.0009091400000000, -0.0013914200000000 ] - [ 0.0002095000000000, -0.0006389800000000, 0.0014883800000000 ] - [ 0.0003694000000000, 0.0002238300000000, -0.0001828500000000 ] - [ 0.0005148800000000, 0.0017023100000000, 0.0001538300000000 ] - [ -0.0002808600000000, 0.0001558800000000, -0.0003491100000000 ] - [ 0.0006371600000000, 0.0030145800000000, 0.0002032700000000 ] - [ 0.0016363700000000, -0.0110115000000000, 0.0085354900000000 ] - [ 0.0002516400000000, -0.0000549200000000, -0.0001589400000000 ] - [ -0.0004321700000000, -0.0013041100000000, -0.0000265300000000 ] - [ -0.0002563900000000, -0.0003309700000000, -0.0001253800000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0003745900000000, -0.0013360500000000, -0.0060111000000000 ] - [ -0.0121190100000000, -0.0459261100000000, 0.0992904200000000 ] - [ 0.0001590700000000, -0.0007633800000000, -0.0027457700000000 ] - [ -0.0014764200000000, 0.0003197800000000, 0.0035308100000000 ] - [ 0.0010931000000000, -0.0028209400000000, 0.0023612700000000 ] - [ -0.0002725500000000, -0.0000252600000000, -0.0022090700000000 ] - [ -0.0014937200000000, 0.0056321500000000, 0.0017138100000000 ] - [ 0.0002655300000000, -0.0000050000000000, -0.0027293800000000 ] - [ 0.0002828500000000, -0.0005904900000000, -0.0011836200000000 ] - [ 0.0001571200000000, -0.0006127500000000, 0.0014100800000000 ] - [ -0.0003757700000000, 0.0010419200000000, -0.0017003100000000 ] - [ 0.0007835700000000, -0.0029201100000000, 0.0023381100000000 ] - [ -0.0006169900000000, -0.0044948300000000, 0.0002021500000000 ] - [ 0.0004418000000000, 0.0015377300000000, -0.0022584800000000 ] - [ 0.0000419200000000, -0.0004284400000000, 0.0008227600000000 ] - [ -0.0002999100000000, -0.0004381900000000, -0.0009565300000000 ] - [ -0.0014318600000000, -0.0002920900000000, 0.0058135300000000 ] - [ 0.0000767200000000, -0.0000014200000000, -0.0013310700000000 ] - [ 0.0001591200000000, 0.0005604700000000, 0.0029122500000000 ] - [ 0.0000028500000000, -0.0000141700000000, -0.0014717600000000 ] - [ -0.0016540800000000, -0.0000330100000000, -0.0018492000000000 ] - [ 0.0018821000000000, -0.0006094000000000, -0.0010345600000000 ] - [ 0.0001927800000000, 0.0000967800000000, -0.0007424600000000 ] - [ -0.0002121400000000, 0.0007023600000000, -0.0006208500000000 ] - [ 0.0011985000000000, 0.0013458400000000, 0.0023093900000000 ] - [ -0.0085797100000000, -0.0075310700000000, 0.0001046600000000 ] - [ -0.0001820800000000, -0.0008394700000000, 0.0019600400000000 ] - [ -0.0015811000000000, 0.0001337200000000, -0.0021177900000000 ] - [ -0.0034251700000000, 0.0025535300000000, -0.0008033700000000 ] - [ 0.0012300300000000, -0.0010493300000000, 0.0022632000000000 ] - [ -0.0030425100000000, -0.0073165200000000, 0.0015752400000000 ] - [ 0.0000442800000000, 0.0014857900000000, 0.0021867400000000 ] - [ 0.0099470500000000, 0.0849598100000000, -0.1693126200000000 ] - [ 0.0000045100000000, -0.0004269200000000, 0.0055396200000000 ] - [ -0.0011585300000000, -0.0006000000000000, -0.0056228800000000 ] - [ -0.0000565700000000, 0.0005507500000000, 0.0029184500000000 ] - [ 0.0000068600000000, 0.0005214800000000, -0.0045677300000000 ] - [ 0.0001331300000000, -0.0005626400000000, 0.0019558300000000 ] - [ 0.0001345700000000, -0.0013309400000000, -0.0052530900000000 ] - [ -0.0001161600000000, 0.0004739000000000, 0.0021020800000000 ] - [ -0.0009500200000000, -0.0003415000000000, 0.0012268400000000 ] - [ 0.0013051000000000, 0.0007407400000000, -0.0007113000000000 ] - [ 0.0000452500000000, 0.0006981300000000, 0.0101149900000000 ] - [ 0.0005166300000000, 0.0000640500000000, 0.0161359800000000 ] - [ 0.0003155100000000, -0.0005618600000000, 0.0017308300000000 ] - [ -0.0004283900000000, -0.0010516300000000, 0.0017188600000000 ] - [ -0.0001107900000000, 0.0005072800000000, 0.0014805200000000 ] - [ 0.0001628100000000, -0.0004621700000000, 0.0014685200000000 ] - [ -0.0000474500000000, 0.0004721000000000, 0.0023803700000000 ] - [ 0.0078716300000000, -0.0124434100000000, 0.0007754400000000 ] - [ -0.0009236200000000, 0.0001415400000000, 0.0020732400000000 ] - [ 0.0021485400000000, 0.0019136400000000, -0.0019781300000000 ] - [ 0.0032471500000000, 0.0024433000000000, -0.0010679800000000 ] - [ -0.0001030600000000, 0.0000083000000000, 0.0020559200000000 ] - [ 0.0033924900000000, -0.0054259400000000, 0.0005794900000000 ] - [ -0.0012660200000000, 0.0003143300000000, 0.0019491700000000 ] - [ -0.0003130100000000, 0.0003211600000000, 0.0021785500000000 ] - [ 0.0002242800000000, 0.0002420200000000, -0.0010569400000000 ] - [ -0.0004110000000000, 0.0000962600000000, 0.0033760900000000 ] - [ -0.0002253300000000, -0.0002612900000000, -0.0011589900000000 ] - [ 0.0012130000000000, 0.0005641600000000, 0.0093228500000000 ] - [ -0.0000698100000000, 0.0000328300000000, -0.0014637900000000 ] - [ 0.0016382700000000, -0.0011401300000000, 0.0094086600000000 ] - [ -0.0000082300000000, 0.0000006700000000, -0.0015504800000000 ] - [ -0.0003844500000000, -0.0002732600000000, -0.0007313000000000 ] - [ 0.0003918500000000, 0.0007878600000000, -0.0013637700000000 ] - [ -0.0002302700000000, 0.0003163000000000, -0.0009832700000000 ] - [ 0.0003449800000000, 0.0001182700000000, -0.0001067100000000 ] - [ 0.0013814600000000, -0.0007358400000000, -0.0016998400000000 ] - [ -0.0024610200000000, 0.0007035700000000, -0.0012338000000000 ] - [ 0.0015082100000000, 0.0007175100000000, -0.0017334500000000 ] - [ -0.0019711800000000, -0.0019545200000000, -0.0007854200000000 ] - [ 0.0003932100000000, 0.0001561400000000, -0.0011193400000000 ] - [ -0.0002717700000000, -0.0000468300000000, 0.0011556400000000 ] - [ -0.0003865500000000, -0.0002455600000000, -0.0012824000000000 ] - [ 0.0003588100000000, 0.0021373100000000, 0.0017388400000000 ] - [ 0.0035919300000000, -0.0084364400000000, 0.0240614500000000 ] - [ 0.0007211100000000, -0.0012791700000000, -0.0032700600000000 ] - [ 0.0003675800000000, 0.0004501000000000, 0.0006978500000000 ] - [ -0.0003464000000000, -0.0002355200000000, -0.0011219700000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0003301100000000, 0.0027367700000000, 0.0060212300000000 ] - [ 0.0112255100000000, 0.0439251600000000, -0.0946014000000000 ] - [ -0.0001179000000000, -0.0006159600000000, 0.0027405400000000 ] - [ 0.0015230500000000, -0.0016990200000000, -0.0034906300000000 ] - [ -0.0011388200000000, 0.0014351000000000, -0.0023664100000000 ] - [ 0.0002280200000000, -0.0013482400000000, 0.0022147600000000 ] - [ 0.0015423600000000, -0.0042579400000000, -0.0017360500000000 ] - [ -0.0002186100000000, 0.0013721200000000, 0.0027336100000000 ] - [ 0.0001978500000000, -0.0003660000000000, 0.0011806600000000 ] - [ 0.0003259800000000, -0.0003501500000000, -0.0014032600000000 ] - [ -0.0001042900000000, -0.0000900000000000, 0.0016986600000000 ] - [ -0.0012765400000000, 0.0039188900000000, -0.0022748500000000 ] - [ 0.0010843500000000, 0.0053857700000000, -0.0002955900000000 ] - [ 0.0000390400000000, -0.0005714100000000, 0.0022579800000000 ] - [ -0.0005231800000000, -0.0005267100000000, -0.0008303000000000 ] - [ -0.0001823200000000, -0.0005199700000000, 0.0009597600000000 ] - [ 0.0014464500000000, 0.0002937400000000, -0.0054729700000000 ] - [ -0.0000747100000000, 0.0000020300000000, 0.0016751600000000 ] - [ -0.0001568600000000, -0.0005606800000000, -0.0032646800000000 ] - [ -0.0000042300000000, 0.0000157200000000, 0.0011237400000000 ] - [ 0.0016699100000000, 0.0000307400000000, 0.0015058700000000 ] - [ -0.0018686300000000, 0.0006100600000000, 0.0006954900000000 ] - [ -0.0001925100000000, -0.0000959000000000, 0.0010860300000000 ] - [ 0.0002137100000000, -0.0007075500000000, 0.0009752900000000 ] - [ -0.0004142600000000, -0.0001755900000000, -0.0023084300000000 ] - [ 0.0093118000000000, 0.0086598300000000, -0.0001365300000000 ] - [ -0.0006233800000000, -0.0003427300000000, -0.0019555700000000 ] - [ 0.0007854300000000, -0.0013236900000000, 0.0020987900000000 ] - [ 0.0042439000000000, -0.0037507300000000, 0.0008254200000000 ] - [ -0.0004154000000000, -0.0001513700000000, -0.0022691300000000 ] - [ 0.0022740800000000, 0.0085348100000000, -0.0015510700000000 ] - [ -0.0008154500000000, -0.0003066700000000, -0.0021870400000000 ] - [ -0.0084859600000000, -0.0822947000000000, 0.1669096800000000 ] - [ 0.0001498000000000, 0.0003531700000000, -0.0046390600000000 ] - [ 0.0009519000000000, 0.0006650900000000, 0.0065240400000000 ] - [ -0.0000965400000000, -0.0004688000000000, -0.0020080200000000 ] - [ 0.0001447500000000, -0.0004355200000000, 0.0036502200000000 ] - [ 0.0000158100000000, 0.0006464600000000, -0.0028738900000000 ] - [ -0.0002897700000000, 0.0012648500000000, 0.0043733900000000 ] - [ -0.0000354200000000, -0.0005404700000000, -0.0029893400000000 ] - [ 0.0008111600000000, 0.0004224100000000, -0.0021360900000000 ] - [ -0.0014477000000000, -0.0006609100000000, -0.0002088800000000 ] - [ 0.0001007500000000, -0.0007669300000000, -0.0110802900000000 ] - [ -0.0003575600000000, -0.0001421200000000, -0.0167734000000000 ] - [ -0.0004732200000000, 0.0004899700000000, -0.0008301200000000 ] - [ 0.0002730000000000, 0.0009905100000000, -0.0008431700000000 ] - [ 0.0002638000000000, -0.0004201500000000, -0.0005573600000000 ] - [ -0.0000141400000000, 0.0005446500000000, -0.0005609700000000 ] - [ 0.0011164900000000, -0.0012640900000000, -0.0023799300000000 ] - [ -0.0067516700000000, 0.0115710700000000, -0.0008098900000000 ] - [ -0.0001281500000000, 0.0006373000000000, -0.0020722500000000 ] - [ -0.0032085700000000, -0.0011317200000000, 0.0019558400000000 ] - [ -0.0022063300000000, -0.0016745800000000, 0.0010862000000000 ] - [ 0.0011504700000000, 0.0007609400000000, -0.0020628100000000 ] - [ -0.0044755200000000, 0.0046459700000000, -0.0005501800000000 ] - [ 0.0001864800000000, -0.0010983500000000, -0.0019515500000000 ] - [ 0.0004913900000000, -0.0001044800000000, -0.0020418000000000 ] - [ -0.0000422500000000, -0.0000315400000000, 0.0011946600000000 ] - [ 0.0002202500000000, -0.0003143900000000, -0.0032383400000000 ] - [ 0.0000444200000000, 0.0000526000000000, 0.0013004500000000 ] - [ -0.0011046600000000, -0.0008223200000000, -0.0094663900000000 ] - [ 0.0002524000000000, -0.0002389700000000, 0.0013273500000000 ] - [ -0.0018282700000000, 0.0013464300000000, -0.0095678800000000 ] - [ -0.0001788100000000, 0.0002088300000000, 0.0014162700000000 ] - [ 0.0002054300000000, 0.0000642800000000, 0.0005859000000000 ] - [ -0.0005730500000000, -0.0009978800000000, 0.0012308300000000 ] - [ 0.0004104500000000, -0.0001053100000000, 0.0008395500000000 ] - [ -0.0001620900000000, 0.0000904000000000, -0.0000273700000000 ] - [ -0.0015766400000000, 0.0009570200000000, 0.0018437700000000 ] - [ 0.0022696600000000, -0.0004795400000000, 0.0013846700000000 ] - [ -0.0013354800000000, -0.0009385000000000, 0.0018761400000000 ] - [ 0.0021380200000000, 0.0017285300000000, 0.0009330100000000 ] - [ 0.0002081700000000, -0.0001588600000000, 0.0011169400000000 ] - [ 0.0008718100000000, 0.0000476100000000, -0.0011556300000000 ] - [ -0.0002078500000000, 0.0002485800000000, 0.0012835000000000 ] - [ -0.0009618200000000, -0.0021421100000000, -0.0017298800000000 ] - [ -0.0033098600000000, 0.0092799600000000, -0.0256024800000000 ] - [ -0.0001168800000000, 0.0012709500000000, 0.0032654300000000 ] - [ -0.0009687800000000, -0.0004503700000000, -0.0007126300000000 ] - [ -0.0002538800000000, 0.0002345700000000, 0.0011226900000000 ]- atom: 49 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0596787400000000, -0.0362388600000000, 0.0000000000000000 ] - [ 0.0001782600000000, 0.0001982200000000, 0.0000000000000000 ] - [ -0.0025529700000000, -0.0038304200000000, 0.0000000000000000 ] - [ -0.0000642600000000, -0.0010058300000000, 0.0000000000000000 ] - [ -0.0021925600000000, -0.0013017000000000, -0.0026478400000000 ] - [ -0.0021925600000000, -0.0013017000000000, 0.0026478400000000 ] - [ 0.0005927300000000, 0.0000819100000000, 0.0022409600000000 ] - [ 0.0005927300000000, 0.0000819100000000, -0.0022409600000000 ] - [ -0.0002717400000000, -0.0007130900000000, 0.0000000000000000 ] - [ 0.0000793300000000, -0.0005545200000000, 0.0000000000000000 ] - [ 0.0000094000000000, 0.0011791200000000, 0.0000000000000000 ] - [ -0.0002156300000000, 0.0004632200000000, 0.0000000000000000 ] - [ 0.0007211400000000, 0.0002551400000000, 0.0016589800000000 ] - [ 0.0007211400000000, 0.0002551400000000, -0.0016589800000000 ] - [ -0.0002979500000000, -0.0004361200000000, -0.0005325000000000 ] - [ -0.0002979500000000, -0.0004361200000000, 0.0005325000000000 ] - [ -0.0002667100000000, -0.0000685000000000, 0.0003168200000000 ] - [ -0.0020458300000000, 0.0009272100000000, -0.0008758400000000 ] - [ 0.0003138100000000, 0.0003217100000000, -0.0003140200000000 ] - [ 0.0042665700000000, 0.0009394300000000, 0.0005335600000000 ] - [ -0.0020458300000000, 0.0009272100000000, 0.0008758400000000 ] - [ -0.0002667100000000, -0.0000685000000000, -0.0003168200000000 ] - [ 0.0042665700000000, 0.0009394300000000, -0.0005335600000000 ] - [ 0.0003138100000000, 0.0003217100000000, 0.0003140200000000 ] - [ 0.0194645500000000, -0.0006312600000000, 0.0000000000000000 ] - [ 0.0005805900000000, 0.0006659900000000, 0.0000000000000000 ] - [ 0.0023510500000000, -0.0008446500000000, 0.0000000000000000 ] - [ -0.0000537400000000, -0.0006067000000000, 0.0000000000000000 ] - [ -0.0001970600000000, -0.0004239300000000, 0.0036831200000000 ] - [ -0.0001970600000000, -0.0004239300000000, -0.0036831200000000 ] - [ -0.0019571700000000, 0.0001030100000000, -0.0005113900000000 ] - [ -0.0019571700000000, 0.0001030100000000, 0.0005113900000000 ] - [ -0.0001844600000000, 0.0002223700000000, -0.0001181000000000 ] - [ -0.0014636800000000, -0.0082917300000000, 0.0077749100000000 ] - [ -0.0000030100000000, 0.0003446200000000, 0.0008593900000000 ] - [ 0.0020888300000000, 0.0044105300000000, -0.0022188100000000 ] - [ 0.0005205100000000, -0.0001293500000000, 0.0001636600000000 ] - [ 0.0042201500000000, -0.0016086900000000, -0.0032117600000000 ] - [ -0.0000781100000000, -0.0001885700000000, -0.0011880700000000 ] - [ 0.0015679800000000, 0.0037614500000000, 0.0034673200000000 ] - [ 0.0020888300000000, 0.0044105300000000, 0.0022188100000000 ] - [ -0.0000030100000000, 0.0003446200000000, -0.0008593900000000 ] - [ -0.0014636800000000, -0.0082917300000000, -0.0077749100000000 ] - [ -0.0001844600000000, 0.0002223700000000, 0.0001181000000000 ] - [ 0.0015679800000000, 0.0037614500000000, -0.0034673200000000 ] - [ -0.0000781100000000, -0.0001885700000000, 0.0011880700000000 ] - [ 0.0042201500000000, -0.0016086900000000, 0.0032117600000000 ] - [ 0.0005205100000000, -0.0001293500000000, -0.0001636600000000 ] - [ -0.1092372600000000, 0.0491297600000000, 0.0000000000000000 ] - [ 0.0000118000000000, -0.0002138000000000, 0.0000000000000000 ] - [ -0.0022235200000000, -0.0012929500000000, 0.0000000000000000 ] - [ -0.0008124200000000, 0.0004012200000000, 0.0000000000000000 ] - [ 0.0024319400000000, 0.0009843400000000, -0.0005850600000000 ] - [ 0.0024319400000000, 0.0009843400000000, 0.0005850600000000 ] - [ 0.0008867600000000, -0.0003510200000000, -0.0008172600000000 ] - [ 0.0008867600000000, -0.0003510200000000, 0.0008172600000000 ] - [ -0.0002178900000000, 0.0002443000000000, 0.0001815000000000 ] - [ -0.0014138400000000, 0.0001920800000000, 0.0000258500000000 ] - [ -0.0003652400000000, -0.0001169800000000, 0.0001235400000000 ] - [ -0.0024342200000000, -0.0014910000000000, -0.0019760900000000 ] - [ 0.0003448600000000, -0.0001691400000000, 0.0000370300000000 ] - [ 0.0024575200000000, 0.0001869600000000, 0.0004164600000000 ] - [ 0.0002556100000000, -0.0002694200000000, -0.0003445500000000 ] - [ 0.0077055200000000, -0.0016031400000000, 0.0020082900000000 ] - [ -0.0024342200000000, -0.0014910000000000, 0.0019760900000000 ] - [ -0.0003652400000000, -0.0001169800000000, -0.0001235400000000 ] - [ -0.0014138400000000, 0.0001920800000000, -0.0000258500000000 ] - [ -0.0002178900000000, 0.0002443000000000, -0.0001815000000000 ] - [ 0.0077055200000000, -0.0016031400000000, -0.0020082900000000 ] - [ 0.0002556100000000, -0.0002694200000000, 0.0003445500000000 ] - [ 0.0024575200000000, 0.0001869600000000, -0.0004164600000000 ] - [ 0.0003448600000000, -0.0001691400000000, -0.0000370300000000 ] - [ -0.0019543200000000, 0.0025139100000000, 0.0000000000000000 ] - [ 0.0003154400000000, 0.0001661900000000, 0.0000000000000000 ] - [ 0.0056627100000000, -0.0025800900000000, 0.0000000000000000 ] - [ -0.0001868200000000, 0.0001388500000000, 0.0000000000000000 ] - [ 0.0002598700000000, 0.0003576200000000, 0.0015697900000000 ] - [ 0.0002598700000000, 0.0003576200000000, -0.0015697900000000 ] - [ -0.0008956600000000, -0.0000555700000000, -0.0008987300000000 ] - [ -0.0008956600000000, -0.0000555700000000, 0.0008987300000000 ]- atom: 49 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0620664500000000, 0.0403071800000000, 0.0000000000000000 ] - [ -0.0002335000000000, 0.0011942500000000, 0.0000000000000000 ] - [ 0.0026124500000000, 0.0024221900000000, 0.0000000000000000 ] - [ 0.0001159000000000, -0.0003897900000000, 0.0000000000000000 ] - [ 0.0021580800000000, -0.0000973800000000, 0.0026247500000000 ] - [ 0.0021580800000000, -0.0000973800000000, -0.0026247500000000 ] - [ -0.0005471300000000, 0.0013091900000000, -0.0022399500000000 ] - [ -0.0005471300000000, 0.0013091900000000, 0.0022399500000000 ] - [ 0.0013293800000000, -0.0001889000000000, 0.0000000000000000 ] - [ 0.0004027600000000, -0.0004029400000000, 0.0000000000000000 ] - [ -0.0004947500000000, -0.0002198300000000, 0.0000000000000000 ] - [ -0.0002645300000000, 0.0004946000000000, 0.0000000000000000 ] - [ -0.0002514300000000, 0.0007002400000000, -0.0016545100000000 ] - [ -0.0002514300000000, 0.0007002400000000, 0.0016545100000000 ] - [ -0.0001810500000000, -0.0005198600000000, 0.0005308100000000 ] - [ -0.0001810500000000, -0.0005198600000000, -0.0005308100000000 ] - [ 0.0002656600000000, 0.0000679000000000, 0.0000310700000000 ] - [ 0.0020373600000000, -0.0009360500000000, 0.0012310900000000 ] - [ -0.0003131200000000, -0.0003228600000000, -0.0000305200000000 ] - [ -0.0042547000000000, -0.0009490700000000, -0.0008836900000000 ] - [ 0.0020373600000000, -0.0009360500000000, -0.0012310900000000 ] - [ 0.0002656600000000, 0.0000679000000000, -0.0000310700000000 ] - [ -0.0042547000000000, -0.0009490700000000, 0.0008836900000000 ] - [ -0.0003131200000000, -0.0003228600000000, 0.0000305200000000 ] - [ -0.0189175300000000, 0.0018760100000000, 0.0000000000000000 ] - [ 0.0002110800000000, 0.0005223500000000, 0.0000000000000000 ] - [ -0.0031470100000000, -0.0003584900000000, 0.0000000000000000 ] - [ -0.0007512800000000, -0.0005907200000000, 0.0000000000000000 ] - [ 0.0009837400000000, -0.0007772900000000, -0.0036990400000000 ] - [ 0.0009837400000000, -0.0007772900000000, 0.0036990400000000 ] - [ 0.0011650400000000, 0.0010854900000000, 0.0005119200000000 ] - [ 0.0011650400000000, 0.0010854900000000, -0.0005119200000000 ] - [ 0.0003340100000000, -0.0002951900000000, 0.0010202100000000 ] - [ 0.0016565300000000, 0.0082254000000000, -0.0068634000000000 ] - [ -0.0001444300000000, -0.0002621200000000, 0.0000568300000000 ] - [ -0.0022475600000000, -0.0043104300000000, 0.0031211200000000 ] - [ -0.0003810100000000, 0.0002210200000000, -0.0010888700000000 ] - [ -0.0040645500000000, 0.0016726200000000, 0.0022497100000000 ] - [ -0.0000701800000000, 0.0001133800000000, 0.0002804100000000 ] - [ -0.0016934100000000, -0.0038549800000000, -0.0043861300000000 ] - [ -0.0022475600000000, -0.0043104300000000, -0.0031211200000000 ] - [ -0.0001444300000000, -0.0002621200000000, -0.0000568300000000 ] - [ 0.0016565300000000, 0.0082254000000000, 0.0068634000000000 ] - [ 0.0003340100000000, -0.0002951900000000, -0.0010202100000000 ] - [ -0.0016934100000000, -0.0038549800000000, 0.0043861300000000 ] - [ -0.0000701800000000, 0.0001133800000000, -0.0002804100000000 ] - [ -0.0040645500000000, 0.0016726200000000, -0.0022497100000000 ] - [ -0.0003810100000000, 0.0002210200000000, 0.0010888700000000 ] - [ 0.1127280600000000, -0.0524292800000000, 0.0000000000000000 ] - [ 0.0010544500000000, -0.0005692400000000, 0.0000000000000000 ] - [ 0.0011354400000000, 0.0020813100000000, 0.0000000000000000 ] - [ -0.0002429800000000, 0.0003728700000000, 0.0000000000000000 ] - [ -0.0013827300000000, -0.0002101100000000, 0.0005979700000000 ] - [ -0.0013827300000000, -0.0002101100000000, -0.0005979700000000 ] - [ -0.0019498000000000, -0.0004355100000000, 0.0008133000000000 ] - [ -0.0019498000000000, -0.0004355100000000, -0.0008133000000000 ] - [ 0.0004002700000000, -0.0000377400000000, -0.0000455100000000 ] - [ 0.0015878000000000, 0.0000253100000000, 0.0001212000000000 ] - [ 0.0001792400000000, -0.0000848600000000, 0.0000122500000000 ] - [ 0.0022489000000000, 0.0012837800000000, 0.0021415600000000 ] - [ -0.0001628000000000, -0.0000346800000000, -0.0001752500000000 ] - [ -0.0022659600000000, -0.0003896000000000, -0.0005568800000000 ] - [ -0.0004389400000000, 0.0004764500000000, 0.0002097600000000 ] - [ -0.0078526700000000, 0.0018385600000000, -0.0021974100000000 ] - [ 0.0022489000000000, 0.0012837800000000, -0.0021415600000000 ] - [ 0.0001792400000000, -0.0000848600000000, -0.0000122500000000 ] - [ 0.0015878000000000, 0.0000253100000000, -0.0001212000000000 ] - [ 0.0004002700000000, -0.0000377400000000, 0.0000455100000000 ] - [ -0.0078526700000000, 0.0018385600000000, 0.0021974100000000 ] - [ -0.0004389400000000, 0.0004764500000000, -0.0002097600000000 ] - [ -0.0022659600000000, -0.0003896000000000, 0.0005568800000000 ] - [ -0.0001628000000000, -0.0000346800000000, 0.0001752500000000 ] - [ 0.0025552100000000, -0.0024867200000000, 0.0000000000000000 ] - [ 0.0002878100000000, -0.0001630600000000, 0.0000000000000000 ] - [ -0.0068106600000000, 0.0022655800000000, 0.0000000000000000 ] - [ -0.0004109900000000, -0.0001419100000000, 0.0000000000000000 ] - [ 0.0003418800000000, -0.0003557900000000, -0.0015588000000000 ] - [ 0.0003418800000000, -0.0003557900000000, 0.0015588000000000 ] - [ 0.0002965600000000, 0.0000564400000000, 0.0008943700000000 ] - [ 0.0002965600000000, 0.0000564400000000, -0.0008943700000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0396579200000000, 0.0550731100000000, 0.0000000000000000 ] - [ 0.0000260700000000, 0.0014339700000000, 0.0000000000000000 ] - [ 0.0003623900000000, -0.0058561500000000, 0.0000000000000000 ] - [ -0.0000281300000000, -0.0009747200000000, 0.0000000000000000 ] - [ 0.0005883100000000, 0.0006806600000000, 0.0018669600000000 ] - [ 0.0005883100000000, 0.0006806600000000, -0.0018669600000000 ] - [ 0.0002897200000000, -0.0024008700000000, 0.0026886100000000 ] - [ 0.0002897200000000, -0.0024008700000000, -0.0026886100000000 ] - [ 0.0009570600000000, 0.0038195700000000, 0.0000000000000000 ] - [ 0.0002704800000000, -0.0003259200000000, 0.0000000000000000 ] - [ -0.0006833100000000, -0.0034550900000000, 0.0000000000000000 ] - [ -0.0002115900000000, 0.0001970300000000, 0.0000000000000000 ] - [ 0.0000945900000000, 0.0024231800000000, -0.0000339500000000 ] - [ 0.0000945900000000, 0.0024231800000000, 0.0000339500000000 ] - [ -0.0002131900000000, -0.0012521700000000, -0.0000125000000000 ] - [ -0.0002131900000000, -0.0012521700000000, 0.0000125000000000 ] - [ 0.0001679900000000, 0.0000052000000000, -0.0000753900000000 ] - [ 0.0012678400000000, -0.0001249400000000, 0.0007052700000000 ] - [ 0.0000308800000000, -0.0000733800000000, 0.0000738400000000 ] - [ 0.0006524900000000, 0.0021670300000000, -0.0012217200000000 ] - [ 0.0012678400000000, -0.0001249400000000, -0.0007052700000000 ] - [ 0.0001679900000000, 0.0000052000000000, 0.0000753900000000 ] - [ 0.0006524900000000, 0.0021670300000000, 0.0012217200000000 ] - [ 0.0000308800000000, -0.0000733800000000, -0.0000738400000000 ] - [ -0.0033600700000000, -0.0048674100000000, 0.0000000000000000 ] - [ 0.0002385000000000, 0.0002128300000000, 0.0000000000000000 ] - [ -0.0007841700000000, 0.0017437500000000, 0.0000000000000000 ] - [ -0.0003805600000000, -0.0003393900000000, 0.0000000000000000 ] - [ 0.0002962700000000, -0.0030450400000000, -0.0011657200000000 ] - [ 0.0002962700000000, -0.0030450400000000, 0.0011657200000000 ] - [ -0.0002863200000000, 0.0030951600000000, -0.0001371300000000 ] - [ -0.0002863200000000, 0.0030951600000000, 0.0001371300000000 ] - [ 0.0001472400000000, -0.0001323200000000, 0.0013157200000000 ] - [ -0.0068004200000000, 0.0105215100000000, -0.0116225900000000 ] - [ -0.0000461700000000, -0.0000406400000000, 0.0007005400000000 ] - [ 0.0024913100000000, 0.0031832600000000, -0.0010745000000000 ] - [ 0.0000464900000000, -0.0000103600000000, -0.0008355400000000 ] - [ -0.0021045300000000, 0.0004082900000000, 0.0016002700000000 ] - [ -0.0000683800000000, 0.0001524000000000, -0.0011530800000000 ] - [ 0.0045864900000000, 0.0034432300000000, 0.0045803800000000 ] - [ 0.0024913100000000, 0.0031832600000000, 0.0010745000000000 ] - [ -0.0000461700000000, -0.0000406400000000, -0.0007005400000000 ] - [ -0.0068004200000000, 0.0105215100000000, 0.0116225900000000 ] - [ 0.0001472400000000, -0.0001323200000000, -0.0013157200000000 ] - [ 0.0045864900000000, 0.0034432300000000, -0.0045803800000000 ] - [ -0.0000683800000000, 0.0001524000000000, 0.0011530800000000 ] - [ -0.0021045300000000, 0.0004082900000000, -0.0016002700000000 ] - [ 0.0000464900000000, -0.0000103600000000, 0.0008355400000000 ] - [ 0.0525947500000000, -0.1097586300000000, 0.0000000000000000 ] - [ 0.0007096900000000, -0.0008068000000000, 0.0000000000000000 ] - [ -0.0022101000000000, 0.0078286100000000, 0.0000000000000000 ] - [ -0.0005210200000000, 0.0006475500000000, 0.0000000000000000 ] - [ -0.0000658300000000, -0.0010667600000000, 0.0002170900000000 ] - [ -0.0000658300000000, -0.0010667600000000, -0.0002170900000000 ] - [ -0.0005783500000000, 0.0021000000000000, 0.0002588700000000 ] - [ -0.0005783500000000, 0.0021000000000000, -0.0002588700000000 ] - [ 0.0000583500000000, -0.0001177100000000, 0.0000994200000000 ] - [ -0.0002548600000000, -0.0012302600000000, 0.0002940000000000 ] - [ -0.0001117100000000, 0.0001290400000000, 0.0001443300000000 ] - [ -0.0004660900000000, 0.0015773200000000, 0.0004503700000000 ] - [ 0.0000086400000000, -0.0003443500000000, -0.0001866100000000 ] - [ -0.0013164300000000, -0.0029492500000000, -0.0000062000000000 ] - [ -0.0003096900000000, 0.0004237000000000, -0.0001290400000000 ] - [ -0.0010230400000000, 0.0090901100000000, -0.0003975700000000 ] - [ -0.0004660900000000, 0.0015773200000000, -0.0004503700000000 ] - [ -0.0001117100000000, 0.0001290400000000, -0.0001443300000000 ] - [ -0.0002548600000000, -0.0012302600000000, -0.0002940000000000 ] - [ 0.0000583500000000, -0.0001177100000000, -0.0000994200000000 ] - [ -0.0010230400000000, 0.0090901100000000, 0.0003975700000000 ] - [ -0.0003096900000000, 0.0004237000000000, 0.0001290400000000 ] - [ -0.0013164300000000, -0.0029492500000000, 0.0000062000000000 ] - [ 0.0000086400000000, -0.0003443500000000, 0.0001866100000000 ] - [ 0.0027624800000000, -0.0022601700000000, 0.0000000000000000 ] - [ 0.0002668300000000, -0.0001304900000000, 0.0000000000000000 ] - [ -0.0042941500000000, 0.0053897200000000, 0.0000000000000000 ] - [ -0.0002613300000000, 0.0001881300000000, 0.0000000000000000 ] - [ 0.0004494100000000, -0.0011239500000000, -0.0022790200000000 ] - [ 0.0004494100000000, -0.0011239500000000, 0.0022790200000000 ] - [ -0.0004289700000000, 0.0006321500000000, -0.0008025500000000 ] - [ -0.0004289700000000, 0.0006321500000000, 0.0008025500000000 ]- atom: 49 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0372240100000000, -0.0521787100000000, 0.0000000000000000 ] - [ -0.0000720100000000, -0.0000527300000000, 0.0000000000000000 ] - [ -0.0003424400000000, 0.0044770300000000, 0.0000000000000000 ] - [ 0.0000667200000000, -0.0004028400000000, 0.0000000000000000 ] - [ -0.0006239000000000, -0.0020730700000000, -0.0018690400000000 ] - [ -0.0006239000000000, -0.0020730700000000, 0.0018690400000000 ] - [ -0.0002391700000000, 0.0037794500000000, -0.0026926800000000 ] - [ -0.0002391700000000, 0.0037794500000000, 0.0026926800000000 ] - [ -0.0004938100000000, -0.0047889500000000, 0.0000000000000000 ] - [ 0.0002117800000000, -0.0006306200000000, 0.0000000000000000 ] - [ 0.0002136800000000, 0.0044224700000000, 0.0000000000000000 ] - [ -0.0002684200000000, 0.0007603700000000, 0.0000000000000000 ] - [ 0.0003788600000000, -0.0014631600000000, 0.0000452400000000 ] - [ 0.0003788600000000, -0.0014631600000000, -0.0000452400000000 ] - [ -0.0002693400000000, 0.0002949400000000, 0.0000107900000000 ] - [ -0.0002693400000000, 0.0002949400000000, -0.0000107900000000 ] - [ -0.0001670100000000, -0.0000043300000000, 0.0004201200000000 ] - [ -0.0012669100000000, 0.0001328200000000, -0.0003646900000000 ] - [ -0.0000316300000000, 0.0000705400000000, -0.0004195900000000 ] - [ -0.0005964900000000, -0.0024185800000000, 0.0006578800000000 ] - [ -0.0012669100000000, 0.0001328200000000, 0.0003646900000000 ] - [ -0.0001670100000000, -0.0000043300000000, -0.0004201200000000 ] - [ -0.0005964900000000, -0.0024185800000000, -0.0006578800000000 ] - [ -0.0000316300000000, 0.0000705400000000, 0.0004195900000000 ] - [ 0.0042331000000000, 0.0060519800000000, 0.0000000000000000 ] - [ 0.0005606500000000, 0.0009710600000000, 0.0000000000000000 ] - [ -0.0000142800000000, -0.0029374400000000, 0.0000000000000000 ] - [ -0.0004240300000000, -0.0008493600000000, 0.0000000000000000 ] - [ 0.0005048300000000, 0.0018511500000000, 0.0011360400000000 ] - [ 0.0005048300000000, 0.0018511500000000, -0.0011360400000000 ] - [ -0.0005115500000000, -0.0019130100000000, 0.0001445600000000 ] - [ -0.0005115500000000, -0.0019130100000000, -0.0001445600000000 ] - [ 0.0000045200000000, 0.0000522200000000, -0.0004044600000000 ] - [ 0.0068548000000000, -0.0105275400000000, 0.0124054200000000 ] - [ -0.0001055500000000, 0.0001152300000000, 0.0002054200000000 ] - [ -0.0026219800000000, -0.0031164500000000, 0.0019722500000000 ] - [ 0.0000994900000000, 0.0000980300000000, -0.0000835100000000 ] - [ 0.0022655100000000, -0.0003163800000000, -0.0025263300000000 ] - [ -0.0000858700000000, -0.0002250000000000, 0.0002486100000000 ] - [ -0.0047591200000000, -0.0035040700000000, -0.0055045000000000 ] - [ -0.0026219800000000, -0.0031164500000000, -0.0019722500000000 ] - [ -0.0001055500000000, 0.0001152300000000, -0.0002054200000000 ] - [ 0.0068548000000000, -0.0105275400000000, -0.0124054200000000 ] - [ 0.0000045200000000, 0.0000522200000000, 0.0004044600000000 ] - [ -0.0047591200000000, -0.0035040700000000, 0.0055045000000000 ] - [ -0.0000858700000000, -0.0002250000000000, -0.0002486100000000 ] - [ 0.0022655100000000, -0.0003163800000000, 0.0025263300000000 ] - [ 0.0000994900000000, 0.0000980300000000, 0.0000835100000000 ] - [ -0.0489589100000000, 0.1077542400000000, 0.0000000000000000 ] - [ 0.0003516500000000, 0.0000282300000000, 0.0000000000000000 ] - [ 0.0011588200000000, -0.0070862500000000, 0.0000000000000000 ] - [ -0.0005403600000000, 0.0001315200000000, 0.0000000000000000 ] - [ 0.0011204500000000, 0.0018421200000000, -0.0002200900000000 ] - [ 0.0011204500000000, 0.0018421200000000, 0.0002200900000000 ] - [ -0.0004897200000000, -0.0028789600000000, -0.0002584000000000 ] - [ -0.0004897200000000, -0.0028789600000000, 0.0002584000000000 ] - [ 0.0001237700000000, 0.0003291700000000, 0.0000422100000000 ] - [ 0.0004351100000000, 0.0014399100000000, -0.0001548900000000 ] - [ -0.0000683700000000, -0.0003371300000000, 0.0000000500000000 ] - [ 0.0002832800000000, -0.0017984700000000, -0.0003215600000000 ] - [ 0.0001704300000000, 0.0001356100000000, 0.0000453800000000 ] - [ 0.0014978600000000, 0.0027386900000000, -0.0001218500000000 ] - [ 0.0001253600000000, -0.0002110800000000, -0.0000061600000000 ] - [ 0.0009057800000000, -0.0087416800000000, 0.0000357700000000 ] - [ 0.0002832800000000, -0.0017984700000000, 0.0003215600000000 ] - [ -0.0000683700000000, -0.0003371300000000, -0.0000000500000000 ] - [ 0.0004351100000000, 0.0014399100000000, 0.0001548900000000 ] - [ 0.0001237700000000, 0.0003291700000000, -0.0000422100000000 ] - [ 0.0009057800000000, -0.0087416800000000, -0.0000357700000000 ] - [ 0.0001253600000000, -0.0002110800000000, 0.0000061600000000 ] - [ 0.0014978600000000, 0.0027386900000000, 0.0001218500000000 ] - [ 0.0001704300000000, 0.0001356100000000, -0.0000453800000000 ] - [ -0.0021881200000000, 0.0022707500000000, 0.0000000000000000 ] - [ 0.0003389000000000, 0.0001296600000000, 0.0000000000000000 ] - [ 0.0034431000000000, -0.0055750900000000, 0.0000000000000000 ] - [ -0.0003355500000000, -0.0001908900000000, 0.0000000000000000 ] - [ 0.0001527000000000, 0.0011234000000000, 0.0022842200000000 ] - [ 0.0001527000000000, 0.0011234000000000, -0.0022842200000000 ] - [ -0.0001683800000000, -0.0006266100000000, 0.0008037200000000 ] - [ -0.0001683800000000, -0.0006266100000000, -0.0008037200000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0001531700000000, 0.0005598500000000, 0.0209602900000000 ] - [ -0.0000248800000000, 0.0006946500000000, -0.0026660600000000 ] - [ 0.0000272300000000, -0.0006947900000000, 0.0052937600000000 ] - [ 0.0000243900000000, -0.0006996400000000, -0.0025045200000000 ] - [ -0.0036762900000000, 0.0011275400000000, -0.0013213800000000 ] - [ 0.0035992200000000, -0.0025118600000000, -0.0013274300000000 ] - [ 0.0002543600000000, 0.0012106300000000, -0.0026160700000000 ] - [ -0.0001989300000000, 0.0001858800000000, -0.0026221000000000 ] - [ 0.0002394100000000, -0.0004826700000000, 0.0047734800000000 ] - [ 0.0002398400000000, -0.0004791400000000, -0.0014904000000000 ] - [ -0.0002407000000000, 0.0004813600000000, 0.0027332200000000 ] - [ -0.0002396700000000, 0.0004795200000000, -0.0011102500000000 ] - [ 0.0022334200000000, 0.0002143500000000, -0.0031147600000000 ] - [ -0.0017314100000000, 0.0007397600000000, -0.0030945300000000 ] - [ -0.0003115200000000, -0.0002803500000000, -0.0002926100000000 ] - [ -0.0001705600000000, -0.0006765700000000, -0.0002959900000000 ] - [ 0.0000465000000000, -0.0000325700000000, -0.0006960800000000 ] - [ -0.0006177300000000, -0.0000347200000000, 0.0010169600000000 ] - [ 0.0001031000000000, 0.0004306600000000, -0.0015193400000000 ] - [ 0.0003978300000000, -0.0007564400000000, 0.0041073900000000 ] - [ 0.0006132200000000, 0.0000402400000000, 0.0006774800000000 ] - [ -0.0000465500000000, 0.0000325100000000, -0.0010471100000000 ] - [ -0.0003553400000000, 0.0005826700000000, 0.0045926700000000 ] - [ -0.0001015500000000, -0.0004276400000000, -0.0011684100000000 ] - [ 0.0004285200000000, 0.0005809800000000, -0.0053366400000000 ] - [ 0.0003909000000000, 0.0005805500000000, 0.0016033400000000 ] - [ -0.0004067100000000, -0.0005911500000000, -0.0027345200000000 ] - [ -0.0004054500000000, -0.0005883500000000, 0.0016499700000000 ] - [ 0.0042937200000000, -0.0006983300000000, 0.0073420800000000 ] - [ -0.0034450300000000, -0.0004787000000000, 0.0072874000000000 ] - [ -0.0000356000000000, 0.0003389300000000, 0.0012029500000000 ] - [ -0.0007488700000000, 0.0008143500000000, 0.0012075000000000 ] - [ -0.0001130500000000, -0.0002063300000000, 0.0028210100000000 ] - [ 0.0055832300000000, -0.0103621800000000, 0.0012611300000000 ] - [ 0.0001551700000000, 0.0008963300000000, 0.0025302300000000 ] - [ -0.0025156400000000, -0.0032867300000000, -0.0015028400000000 ] - [ 0.0007319500000000, -0.0008941300000000, 0.0016140000000000 ] - [ -0.0015326900000000, 0.0013429700000000, -0.0015316400000000 ] - [ -0.0002339000000000, 0.0000553900000000, 0.0015085100000000 ] - [ 0.0036031200000000, 0.0037969700000000, 0.0001301500000000 ] - [ 0.0023620100000000, 0.0033733900000000, -0.0024360300000000 ] - [ -0.0003086200000000, -0.0008098500000000, 0.0016188300000000 ] - [ -0.0054476700000000, 0.0103438000000000, 0.0003252300000000 ] - [ 0.0002730200000000, 0.0001444700000000, 0.0019423200000000 ] - [ -0.0037792100000000, -0.0038803600000000, 0.0009994300000000 ] - [ 0.0000684400000000, -0.0001235400000000, 0.0023966500000000 ] - [ 0.0016995100000000, -0.0012700100000000, -0.0006402400000000 ] - [ -0.0005686200000000, 0.0009661700000000, 0.0025186700000000 ] - [ 0.0001074700000000, -0.0004710700000000, -0.0620341300000000 ] - [ 0.0005363900000000, -0.0003940700000000, 0.0023818400000000 ] - [ -0.0005309700000000, 0.0003878900000000, -0.0033575800000000 ] - [ -0.0005278900000000, 0.0003874500000000, 0.0016708800000000 ] - [ 0.0011281400000000, 0.0006124100000000, 0.0004072300000000 ] - [ -0.0000589000000000, 0.0001707800000000, 0.0004141800000000 ] - [ -0.0013520600000000, -0.0006556900000000, 0.0011119700000000 ] - [ 0.0002776600000000, -0.0001397800000000, 0.0011153500000000 ] - [ 0.0001483500000000, 0.0002976700000000, -0.0007266100000000 ] - [ -0.0003765300000000, -0.0004022800000000, 0.0009884800000000 ] - [ -0.0001830900000000, -0.0002632400000000, -0.0008022800000000 ] - [ -0.0007588500000000, 0.0003958100000000, 0.0009911000000000 ] - [ -0.0000396500000000, -0.0000818300000000, -0.0009304400000000 ] - [ 0.0010801100000000, 0.0009363000000000, 0.0007178800000000 ] - [ 0.0002281500000000, -0.0005067200000000, -0.0016161200000000 ] - [ 0.0012755900000000, 0.0009337200000000, 0.0065217800000000 ] - [ 0.0005787200000000, -0.0006137100000000, 0.0008662100000000 ] - [ 0.0000022500000000, 0.0000518100000000, -0.0009431100000000 ] - [ 0.0005551700000000, 0.0006139400000000, 0.0008528800000000 ] - [ 0.0000315400000000, -0.0000854300000000, -0.0008664400000000 ] - [ -0.0012993000000000, -0.0003530100000000, 0.0072239900000000 ] - [ -0.0004075000000000, 0.0007152400000000, -0.0014776600000000 ] - [ -0.0008913400000000, -0.0011384000000000, 0.0008595300000000 ] - [ 0.0002213400000000, -0.0001309700000000, -0.0007919000000000 ] - [ 0.0002975200000000, 0.0000007900000000, 0.0021511700000000 ] - [ 0.0002996700000000, 0.0000007800000000, -0.0012564100000000 ] - [ -0.0002986500000000, -0.0000045600000000, 0.0089004200000000 ] - [ -0.0002960100000000, 0.0000005200000000, -0.0011777500000000 ] - [ 0.0004302300000000, -0.0001661900000000, -0.0015167400000000 ] - [ 0.0001648600000000, 0.0001630800000000, -0.0015274600000000 ] - [ -0.0010476400000000, -0.0009982600000000, -0.0005964300000000 ] - [ 0.0004400900000000, 0.0009890900000000, -0.0005995100000000 ]- atom: 57 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000015300000000, 0.0005932000000000, -0.0002932300000000 ] - [ -0.0000388100000000, 0.0008030900000000, 0.0011398800000000 ] - [ -0.0001353800000000, -0.0008690200000000, 0.0000332600000000 ] - [ 0.0026665500000000, 0.0018066300000000, -0.0035371000000000 ] - [ 0.0008627800000000, -0.0051773900000000, 0.0055011200000000 ] - [ 0.0000286200000000, -0.0011049400000000, -0.0005490900000000 ] - [ 0.0127402600000000, -0.0002072100000000, -0.0181160400000000 ] - [ -0.0000132300000000, 0.0000437200000000, 0.0003863400000000 ] - [ 0.0002501200000000, -0.0006311300000000, 0.0001377800000000 ] - [ 0.0003513400000000, -0.0011364700000000, -0.0007714400000000 ] - [ -0.0001602400000000, 0.0003237200000000, -0.0003247900000000 ] - [ 0.0047190300000000, -0.0029771400000000, 0.0061929300000000 ] - [ 0.0004928800000000, 0.0014323400000000, -0.0006482300000000 ] - [ 0.0002576100000000, 0.0005768400000000, 0.0000482800000000 ] - [ 0.0047792200000000, 0.0029427600000000, 0.0068718000000000 ] - [ -0.0001829200000000, -0.0004285800000000, -0.0002352900000000 ] - [ -0.0020478400000000, -0.0005264500000000, 0.0004460100000000 ] - [ -0.0000294500000000, -0.0000204800000000, 0.0000835300000000 ] - [ 0.0030566200000000, -0.0000007700000000, -0.0001054700000000 ] - [ 0.0001317400000000, 0.0000244800000000, -0.0002336300000000 ] - [ -0.0001916700000000, -0.0004157100000000, -0.0002978500000000 ] - [ -0.0001975800000000, 0.0002212400000000, -0.0003199700000000 ] - [ 0.0007444900000000, 0.0002038200000000, 0.0001625100000000 ] - [ 0.0005628300000000, -0.0000895000000000, 0.0001415300000000 ] - [ 0.0006645900000000, 0.0005535200000000, 0.0000815200000000 ] - [ 0.0017787500000000, -0.0001569900000000, -0.0005564500000000 ] - [ -0.0000083300000000, -0.0006568600000000, 0.0003816800000000 ] - [ 0.0076995100000000, -0.0003888500000000, -0.0008669200000000 ] - [ -0.0019226100000000, 0.0003099500000000, -0.0009301700000000 ] - [ 0.0001273200000000, -0.0005030200000000, 0.0001154500000000 ] - [ -0.0034169000000000, 0.0017576700000000, 0.0007832600000000 ] - [ -0.0006695900000000, 0.0007349000000000, 0.0000698000000000 ] - [ -0.0008149700000000, 0.0010982400000000, 0.0000618000000000 ] - [ 0.0000566100000000, -0.0000199300000000, 0.0005969200000000 ] - [ -0.0011322100000000, -0.0010842300000000, 0.0007715700000000 ] - [ -0.0000567700000000, 0.0001338800000000, 0.0006022400000000 ] - [ 0.0126663100000000, -0.0038287600000000, -0.0016370700000000 ] - [ 0.0001195900000000, -0.0000041400000000, -0.0002933500000000 ] - [ 0.0066102300000000, 0.0000914800000000, 0.0012459300000000 ] - [ -0.0000165100000000, 0.0000124200000000, -0.0003753500000000 ] - [ -0.0000237600000000, 0.0002389100000000, -0.0007552000000000 ] - [ -0.0002643600000000, -0.0000396800000000, 0.0000225100000000 ] - [ -0.0001431900000000, 0.0003173700000000, -0.0001415700000000 ] - [ 0.0000507400000000, -0.0000580400000000, -0.0007180900000000 ] - [ 0.0001084200000000, -0.0004853400000000, 0.0028305600000000 ] - [ 0.0000235100000000, -0.0000733200000000, -0.0010228200000000 ] - [ 0.0004905500000000, 0.0001502700000000, -0.0015956500000000 ] - [ 0.0001728500000000, 0.0004429000000000, 0.0018710700000000 ] - [ 0.0002334800000000, -0.0004329500000000, 0.0000601400000000 ] - [ -0.0009582300000000, -0.0007374100000000, -0.0004587200000000 ] - [ -0.0008121000000000, 0.0003787200000000, 0.0000951400000000 ] - [ -0.0028840600000000, 0.0000284000000000, 0.0006609400000000 ] - [ 0.0028981600000000, 0.0017994300000000, -0.0009828100000000 ] - [ 0.0008048700000000, 0.0004870400000000, 0.0001300500000000 ] - [ 0.0072564700000000, 0.0005720300000000, 0.0012778200000000 ] - [ -0.0001897800000000, -0.0001779000000000, 0.0003164100000000 ] - [ -0.0599038300000000, 0.0031565600000000, 0.0095946300000000 ] - [ -0.0000096200000000, 0.0001317900000000, -0.0000370600000000 ] - [ -0.0047439600000000, 0.0016112700000000, 0.0000533800000000 ] - [ -0.0002210400000000, -0.0000879400000000, 0.0000260800000000 ] - [ 0.0016222900000000, -0.0003219300000000, 0.0001882100000000 ] - [ 0.0001255400000000, -0.0001153200000000, -0.0001262600000000 ] - [ 0.0009719400000000, 0.0000859500000000, -0.0001619800000000 ] - [ -0.0000417600000000, 0.0000915300000000, -0.0001269200000000 ] - [ -0.0008391200000000, 0.0001437700000000, -0.0000517700000000 ] - [ -0.0005977000000000, -0.0000955300000000, -0.0000315600000000 ] - [ -0.0009430200000000, 0.0005609800000000, -0.0002391700000000 ] - [ -0.0007636900000000, -0.0002346400000000, -0.0001888900000000 ] - [ 0.0001285400000000, -0.0000444600000000, 0.0002496700000000 ] - [ 0.0001281900000000, 0.0001921700000000, 0.0000825700000000 ] - [ 0.0003813300000000, -0.0002681100000000, -0.0000911500000000 ] - [ 0.0003823900000000, -0.0000762100000000, -0.0000456200000000 ] - [ 0.0003235900000000, 0.0002612900000000, 0.0002115600000000 ] - [ 0.0060272400000000, -0.0020458600000000, -0.0083316100000000 ] - [ -0.0002458900000000, 0.0002373400000000, -0.0003451300000000 ] - [ 0.0006043900000000, 0.0018712800000000, 0.0022549900000000 ] - [ 0.0009505400000000, -0.0008181200000000, -0.0006191500000000 ] - [ 0.0002595000000000, 0.0000209100000000, -0.0000169600000000 ] - [ -0.0003926800000000, -0.0001397200000000, 0.0005480000000000 ] - [ -0.0002972100000000, 0.0000362600000000, -0.0001493500000000 ]- atom: 57 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000320100000000, 0.0007732000000000, 0.0002899500000000 ] - [ -0.0000097800000000, 0.0005587200000000, -0.0011348200000000 ] - [ 0.0001835400000000, -0.0004953900000000, -0.0000369500000000 ] - [ -0.0025919900000000, -0.0032092800000000, 0.0035754100000000 ] - [ -0.0009145800000000, 0.0038103600000000, -0.0054922000000000 ] - [ -0.0000712900000000, -0.0002549400000000, 0.0005486900000000 ] - [ -0.0125803200000000, 0.0016264800000000, 0.0178710000000000 ] - [ 0.0000506800000000, 0.0013156600000000, -0.0003828700000000 ] - [ 0.0002310700000000, -0.0003212400000000, -0.0001370900000000 ] - [ 0.0001334200000000, 0.0001797000000000, 0.0007712300000000 ] - [ -0.0003231100000000, 0.0006315500000000, 0.0003250600000000 ] - [ -0.0051664800000000, 0.0038939100000000, -0.0061157000000000 ] - [ -0.0000083400000000, -0.0004760500000000, 0.0006458200000000 ] - [ 0.0002248800000000, 0.0003798600000000, -0.0000475600000000 ] - [ -0.0052858900000000, -0.0039334200000000, -0.0069560200000000 ] - [ -0.0002968000000000, -0.0005269600000000, 0.0002352800000000 ] - [ 0.0020445000000000, 0.0005583600000000, -0.0000865100000000 ] - [ 0.0000298800000000, 0.0000227600000000, 0.0002746700000000 ] - [ -0.0030602800000000, 0.0000184200000000, -0.0002538800000000 ] - [ -0.0001331600000000, -0.0000218500000000, -0.0001224500000000 ] - [ 0.0001963100000000, 0.0004163500000000, -0.0000595000000000 ] - [ 0.0001994900000000, -0.0002194000000000, -0.0000403200000000 ] - [ -0.0007441800000000, -0.0001994400000000, 0.0001933300000000 ] - [ -0.0005617300000000, 0.0000906600000000, 0.0002176300000000 ] - [ 0.0001250600000000, 0.0006362500000000, -0.0000806500000000 ] - [ -0.0009803600000000, 0.0013438800000000, 0.0005544800000000 ] - [ -0.0008177000000000, -0.0005418500000000, -0.0003852700000000 ] - [ -0.0085093200000000, -0.0007785900000000, 0.0008577900000000 ] - [ 0.0027352200000000, -0.0015018200000000, 0.0009219700000000 ] - [ 0.0006909600000000, -0.0006927000000000, -0.0001214500000000 ] - [ 0.0026115000000000, -0.0005573700000000, -0.0007721400000000 ] - [ -0.0001068100000000, 0.0004479900000000, -0.0000780700000000 ] - [ 0.0009643900000000, -0.0011492900000000, 0.0008380300000000 ] - [ 0.0000834300000000, -0.0000528300000000, 0.0003148200000000 ] - [ 0.0009854700000000, 0.0011848000000000, 0.0001403500000000 ] - [ -0.0000792000000000, -0.0000473400000000, 0.0003250100000000 ] - [ -0.0131140400000000, 0.0045130200000000, 0.0006702700000000 ] - [ 0.0000211200000000, 0.0000879300000000, -0.0006232100000000 ] - [ -0.0061228300000000, 0.0002298700000000, -0.0022156800000000 ] - [ -0.0001273900000000, -0.0000778000000000, -0.0005250000000000 ] - [ -0.0001147800000000, -0.0001515300000000, -0.0001689000000000 ] - [ 0.0001058200000000, 0.0001150200000000, -0.0009397600000000 ] - [ 0.0002912900000000, -0.0003834500000000, -0.0007595000000000 ] - [ 0.0001030700000000, -0.0000098300000000, -0.0001897100000000 ] - [ -0.0002434400000000, 0.0004096100000000, -0.0019030700000000 ] - [ -0.0001670100000000, 0.0000044200000000, 0.0019164000000000 ] - [ -0.0003509100000000, -0.0000705500000000, 0.0025204500000000 ] - [ -0.0000323900000000, -0.0003655100000000, -0.0009607700000000 ] - [ 0.0008556000000000, -0.0003694400000000, -0.0000582200000000 ] - [ 0.0020507400000000, -0.0000585700000000, 0.0004681800000000 ] - [ -0.0002545600000000, 0.0004109400000000, -0.0000912600000000 ] - [ 0.0018179100000000, 0.0007626600000000, -0.0006764200000000 ] - [ -0.0018366500000000, -0.0010219900000000, 0.0009867700000000 ] - [ 0.0002698800000000, 0.0003082300000000, -0.0001292300000000 ] - [ -0.0082995300000000, -0.0013558200000000, -0.0012970300000000 ] - [ -0.0008981700000000, -0.0006226100000000, -0.0003162800000000 ] - [ 0.0598658300000000, -0.0040284300000000, -0.0092139900000000 ] - [ 0.0001898200000000, 0.0000852400000000, 0.0001803100000000 ] - [ 0.0045486800000000, -0.0018876500000000, 0.0000928900000000 ] - [ 0.0000416600000000, -0.0001254300000000, 0.0001171600000000 ] - [ -0.0014437200000000, 0.0001022300000000, -0.0003331300000000 ] - [ 0.0000543800000000, -0.0001000400000000, -0.0000183000000000 ] - [ -0.0011503800000000, 0.0001241200000000, 0.0000168300000000 ] - [ -0.0001385000000000, 0.0001259600000000, -0.0000169100000000 ] - [ 0.0006595500000000, -0.0003598700000000, -0.0000898800000000 ] - [ 0.0004177400000000, -0.0001195700000000, -0.0001153600000000 ] - [ 0.0011258300000000, -0.0003484500000000, 0.0001013300000000 ] - [ 0.0009413600000000, 0.0004462100000000, 0.0000340100000000 ] - [ -0.0003091600000000, 0.0002614700000000, -0.0001061500000000 ] - [ -0.0003094900000000, 0.0000223600000000, 0.0000589700000000 ] - [ -0.0002020300000000, 0.0000511900000000, 0.0002358000000000 ] - [ -0.0002010600000000, -0.0001431000000000, 0.0001947000000000 ] - [ 0.0002836200000000, -0.0002589100000000, -0.0002162700000000 ] - [ -0.0054569900000000, 0.0020940700000000, 0.0084469200000000 ] - [ -0.0003610300000000, -0.0002361000000000, 0.0003454400000000 ] - [ -0.0012088400000000, -0.0018579000000000, -0.0022489200000000 ] - [ -0.0003447100000000, 0.0008137900000000, 0.0006113100000000 ] - [ 0.0003462100000000, -0.0000258000000000, 0.0000197000000000 ] - [ -0.0002103600000000, 0.0001364300000000, -0.0005515900000000 ] - [ -0.0003086200000000, -0.0000355600000000, 0.0001500500000000 ]- atom: 57 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000323200000000, 0.0010299300000000, 0.0000274200000000 ] - [ 0.0003724600000000, 0.0026740200000000, -0.0005532900000000 ] - [ 0.0002963300000000, -0.0007908800000000, -0.0000009200000000 ] - [ 0.0055190100000000, 0.0016096500000000, -0.0024525200000000 ] - [ -0.0021810600000000, 0.0036159700000000, -0.0050872900000000 ] - [ -0.0000491500000000, -0.0003552700000000, 0.0000845700000000 ] - [ -0.0007354900000000, -0.0089326600000000, -0.0045229300000000 ] - [ -0.0002034600000000, 0.0000636200000000, 0.0001069300000000 ] - [ 0.0002064600000000, -0.0002704700000000, -0.0002458800000000 ] - [ -0.0001338000000000, 0.0009378100000000, 0.0007001000000000 ] - [ -0.0004102900000000, 0.0003451000000000, 0.0001716500000000 ] - [ -0.0037620100000000, -0.0009393800000000, -0.0023383600000000 ] - [ 0.0004930700000000, 0.0014229500000000, -0.0003569100000000 ] - [ 0.0002591700000000, 0.0005753200000000, 0.0000255600000000 ] - [ 0.0033491000000000, -0.0023535200000000, 0.0028831000000000 ] - [ -0.0000783200000000, -0.0006816200000000, -0.0003787500000000 ] - [ -0.0004478200000000, 0.0085318500000000, 0.0006700500000000 ] - [ -0.0000185900000000, 0.0001114200000000, 0.0000922200000000 ] - [ -0.0002863900000000, -0.0002943900000000, 0.0001263000000000 ] - [ -0.0000237600000000, -0.0000312100000000, -0.0002548000000000 ] - [ 0.0000964700000000, 0.0008669100000000, 0.0002362200000000 ] - [ -0.0002234800000000, 0.0008289900000000, -0.0007080100000000 ] - [ -0.0001822300000000, -0.0001739400000000, -0.0002066000000000 ] - [ 0.0000163700000000, -0.0002011300000000, 0.0004169700000000 ] - [ 0.0002271200000000, 0.0003657100000000, 0.0002184300000000 ] - [ -0.0002275100000000, -0.0020496200000000, -0.0009112600000000 ] - [ -0.0007117100000000, -0.0003677800000000, -0.0003572300000000 ] - [ -0.0002548600000000, 0.0099773500000000, -0.0049535600000000 ] - [ 0.0014222400000000, -0.0024605000000000, 0.0007383800000000 ] - [ 0.0003821400000000, -0.0008317000000000, 0.0000516900000000 ] - [ 0.0000806000000000, 0.0025029400000000, 0.0006839700000000 ] - [ -0.0004625000000000, 0.0007887700000000, 0.0000877800000000 ] - [ 0.0010047900000000, -0.0018866500000000, 0.0006570900000000 ] - [ 0.0000926400000000, -0.0001779600000000, 0.0005785600000000 ] - [ -0.0020613400000000, -0.0022174600000000, 0.0002395700000000 ] - [ -0.0001380900000000, -0.0000216900000000, 0.0006052800000000 ] - [ -0.0046047500000000, 0.0117753000000000, 0.0002330500000000 ] - [ 0.0000483000000000, 0.0001133600000000, -0.0003132800000000 ] - [ -0.0009339600000000, 0.0088203400000000, 0.0007905800000000 ] - [ -0.0000485300000000, 0.0001552800000000, -0.0003402000000000 ] - [ -0.0002920500000000, -0.0004642800000000, -0.0006195600000000 ] - [ -0.0008946100000000, -0.0009569100000000, 0.0004454800000000 ] - [ 0.0004107900000000, -0.0006244800000000, -0.0006519200000000 ] - [ 0.0000953900000000, -0.0007831800000000, -0.0004616300000000 ] - [ 0.0002628600000000, 0.0017247700000000, 0.0010331400000000 ] - [ -0.0001037300000000, 0.0006321400000000, -0.0004021100000000 ] - [ -0.0000707100000000, 0.0005852600000000, 0.0022841500000000 ] - [ 0.0001177000000000, 0.0008469000000000, -0.0003787400000000 ] - [ 0.0006735600000000, -0.0006151900000000, 0.0001901300000000 ] - [ 0.0006150800000000, -0.0017231200000000, -0.0005042300000000 ] - [ -0.0005435100000000, 0.0006192700000000, 0.0001579900000000 ] - [ -0.0019173100000000, 0.0020748400000000, -0.0005049400000000 ] - [ 0.0002516700000000, -0.0024530300000000, 0.0010463500000000 ] - [ 0.0005912200000000, 0.0001459500000000, 0.0000231400000000 ] - [ 0.0012268000000000, 0.0084371700000000, -0.0007605600000000 ] - [ -0.0001572700000000, -0.0000754100000000, 0.0006096200000000 ] - [ 0.0038413000000000, -0.0509025100000000, 0.0067518800000000 ] - [ 0.0001140900000000, -0.0000467300000000, -0.0000096700000000 ] - [ 0.0016765400000000, 0.0135295500000000, 0.0000497300000000 ] - [ -0.0000717900000000, -0.0000942100000000, -0.0000104000000000 ] - [ 0.0003007000000000, -0.0006498200000000, 0.0001686000000000 ] - [ 0.0001005500000000, -0.0001263700000000, -0.0001401300000000 ] - [ -0.0000724000000000, 0.0011641100000000, 0.0001910000000000 ] - [ -0.0000714600000000, 0.0001723900000000, -0.0001378800000000 ] - [ 0.0001631800000000, 0.0000225700000000, -0.0006448600000000 ] - [ -0.0000793100000000, 0.0000786900000000, 0.0005478100000000 ] - [ 0.0005446900000000, -0.0011552300000000, 0.0003826800000000 ] - [ -0.0002473900000000, -0.0012835400000000, -0.0004402000000000 ] - [ -0.0001762700000000, 0.0004275300000000, -0.0001892900000000 ] - [ 0.0000612300000000, 0.0004259200000000, 0.0001610400000000 ] - [ 0.0000554900000000, -0.0001703700000000, 0.0000942000000000 ] - [ 0.0002497600000000, -0.0001711500000000, -0.0001056800000000 ] - [ 0.0003111100000000, -0.0002793900000000, -0.0002994300000000 ] - [ -0.0021423400000000, -0.0035318000000000, 0.0033000700000000 ] - [ -0.0002812600000000, 0.0000520100000000, -0.0001348900000000 ] - [ 0.0010117300000000, 0.0010239600000000, 0.0017007600000000 ] - [ -0.0009010100000000, 0.0007135100000000, 0.0006330400000000 ] - [ 0.0002194200000000, 0.0000268800000000, -0.0001142900000000 ] - [ -0.0002633300000000, 0.0011451600000000, 0.0005429600000000 ] - [ -0.0003285900000000, 0.0001833900000000, -0.0002470700000000 ]- atom: 57 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000779100000000, 0.0003623400000000, -0.0000262000000000 ] - [ -0.0004038800000000, -0.0012903100000000, 0.0005631400000000 ] - [ -0.0002533100000000, -0.0005956800000000, 0.0000003700000000 ] - [ -0.0054804400000000, -0.0029812600000000, 0.0024959900000000 ] - [ 0.0020946000000000, -0.0049996200000000, 0.0050797000000000 ] - [ 0.0000089100000000, -0.0010348900000000, -0.0000840400000000 ] - [ 0.0006839200000000, 0.0102970300000000, 0.0046083900000000 ] - [ 0.0002479300000000, 0.0013255400000000, -0.0001068800000000 ] - [ 0.0002742700000000, -0.0006865100000000, 0.0002451200000000 ] - [ 0.0006086100000000, -0.0018948000000000, -0.0006961100000000 ] - [ -0.0000714900000000, 0.0006124900000000, -0.0001697700000000 ] - [ 0.0032699400000000, 0.0019326100000000, 0.0023349400000000 ] - [ -0.0000046900000000, -0.0004654800000000, 0.0003528000000000 ] - [ 0.0002214900000000, 0.0003825200000000, -0.0000246000000000 ] - [ -0.0038158200000000, 0.0014330600000000, -0.0028778500000000 ] - [ -0.0004019200000000, -0.0002761300000000, 0.0003775700000000 ] - [ 0.0004553500000000, -0.0086672200000000, -0.0003301600000000 ] - [ 0.0000169800000000, -0.0001091900000000, 0.0002554300000000 ] - [ 0.0002854300000000, 0.0002986300000000, -0.0004736900000000 ] - [ 0.0000230400000000, 0.0000332600000000, -0.0000927600000000 ] - [ -0.0000920200000000, -0.0008628800000000, -0.0005884200000000 ] - [ 0.0002225500000000, -0.0008254000000000, 0.0003630600000000 ] - [ 0.0001825800000000, 0.0001742500000000, 0.0005536900000000 ] - [ -0.0000150200000000, 0.0001996400000000, -0.0000699400000000 ] - [ 0.0005578700000000, 0.0008049900000000, -0.0002188800000000 ] - [ 0.0009987200000000, 0.0032037100000000, 0.0008951200000000 ] - [ -0.0001060600000000, -0.0008147500000000, 0.0003576900000000 ] - [ -0.0006367900000000, -0.0113583900000000, 0.0053186200000000 ] - [ -0.0006379000000000, 0.0013001400000000, -0.0007408900000000 ] - [ 0.0004359000000000, -0.0003539100000000, -0.0000563800000000 ] - [ -0.0008826500000000, -0.0013254300000000, -0.0006807900000000 ] - [ -0.0003186000000000, 0.0003749600000000, -0.0000900000000000 ] - [ -0.0008586600000000, 0.0018264300000000, 0.0002300500000000 ] - [ 0.0000632300000000, 0.0001079600000000, 0.0003148000000000 ] - [ 0.0019243500000000, 0.0023026100000000, 0.0006521300000000 ] - [ -0.0000146800000000, 0.0001047300000000, 0.0003091100000000 ] - [ 0.0042756800000000, -0.0112564900000000, -0.0011636100000000 ] - [ 0.0001024700000000, -0.0000251200000000, -0.0006046200000000 ] - [ 0.0010205500000000, -0.0086792800000000, -0.0017199200000000 ] - [ -0.0001069000000000, -0.0002212800000000, -0.0005500100000000 ] - [ 0.0001439600000000, 0.0005492400000000, -0.0002936600000000 ] - [ 0.0007256000000000, 0.0010213100000000, -0.0013457300000000 ] - [ -0.0002527900000000, 0.0005548200000000, -0.0002376300000000 ] - [ 0.0000632600000000, 0.0007108600000000, -0.0004347200000000 ] - [ -0.0004195800000000, -0.0017996500000000, -0.0001280900000000 ] - [ -0.0000565500000000, -0.0006962400000000, 0.0012921100000000 ] - [ 0.0002326400000000, -0.0005103100000000, -0.0013922300000000 ] - [ 0.0000393200000000, -0.0007586400000000, 0.0012917300000000 ] - [ 0.0003947000000000, -0.0001722800000000, -0.0001910600000000 ] - [ 0.0004567600000000, 0.0009445700000000, 0.0005085100000000 ] - [ -0.0005066700000000, 0.0001493600000000, -0.0001559300000000 ] - [ 0.0008569000000000, -0.0013027600000000, 0.0005015300000000 ] - [ 0.0008284900000000, 0.0032367700000000, -0.0010288300000000 ] - [ 0.0004587900000000, 0.0006223200000000, -0.0000246100000000 ] - [ -0.0022077500000000, -0.0093893500000000, 0.0005256900000000 ] - [ -0.0009135700000000, -0.0007114700000000, -0.0006111700000000 ] - [ -0.0033452100000000, 0.0506530200000000, -0.0067074800000000 ] - [ 0.0000672800000000, 0.0002583800000000, 0.0001464500000000 ] - [ -0.0018244800000000, -0.0134817400000000, 0.0000846100000000 ] - [ -0.0001098700000000, -0.0001163700000000, 0.0001512700000000 ] - [ -0.0001220600000000, 0.0004463200000000, -0.0003123000000000 ] - [ 0.0000833500000000, -0.0000841800000000, 0.0000006400000000 ] - [ -0.0001106100000000, -0.0009598900000000, -0.0003360100000000 ] - [ -0.0001092800000000, 0.0000381500000000, 0.0000000600000000 ] - [ -0.0003437000000000, -0.0002358400000000, 0.0005008200000000 ] - [ -0.0001042700000000, -0.0002900500000000, -0.0006810800000000 ] - [ -0.0003629600000000, 0.0013603600000000, -0.0005144900000000 ] - [ 0.0004299500000000, 0.0014864300000000, 0.0002925300000000 ] - [ -0.0000061900000000, -0.0002150600000000, 0.0003243400000000 ] - [ -0.0002433000000000, -0.0002140600000000, -0.0000245200000000 ] - [ 0.0001253900000000, -0.0000372700000000, 0.0000432400000000 ] - [ -0.0000676900000000, -0.0000372500000000, 0.0002482000000000 ] - [ 0.0002924900000000, 0.0002832100000000, 0.0002972200000000 ] - [ 0.0027717500000000, 0.0034949600000000, -0.0033355800000000 ] - [ -0.0003232800000000, -0.0000533800000000, 0.0001358800000000 ] - [ -0.0015990100000000, -0.0010258800000000, -0.0016973100000000 ] - [ 0.0015051200000000, -0.0007133700000000, -0.0006455900000000 ] - [ 0.0003761300000000, -0.0000269900000000, 0.0001161100000000 ] - [ -0.0003479100000000, -0.0011484100000000, -0.0005498000000000 ] - [ -0.0002707500000000, -0.0001825500000000, 0.0002446900000000 ]- atom: 57 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0000682200000000, 0.0007188900000000, 0.0013282700000000 ] - [ 0.0008629900000000, 0.0002741200000000, -0.0012978100000000 ] - [ 0.0003887600000000, -0.0003793600000000, 0.0013440500000000 ] - [ -0.0065937800000000, -0.0045445300000000, -0.0008611600000000 ] - [ 0.0026998600000000, -0.0035013300000000, -0.0006428700000000 ] - [ -0.0000840500000000, -0.0003638000000000, 0.0016879800000000 ] - [ -0.0177056700000000, -0.0044888900000000, 0.0063494000000000 ] - [ 0.0003240000000000, 0.0005710100000000, 0.0017798300000000 ] - [ 0.0002668900000000, -0.0005308600000000, 0.0005566200000000 ] - [ -0.0000403600000000, -0.0006409600000000, -0.0005862200000000 ] - [ -0.0004289300000000, 0.0005023900000000, 0.0009708300000000 ] - [ 0.0055972100000000, -0.0016729200000000, 0.0013858100000000 ] - [ -0.0000543300000000, 0.0002741400000000, -0.0004073400000000 ] - [ 0.0002873300000000, 0.0006191400000000, 0.0004700100000000 ] - [ 0.0062283000000000, 0.0021305800000000, 0.0022212500000000 ] - [ -0.0004323100000000, -0.0005015600000000, 0.0009159700000000 ] - [ 0.0003056700000000, 0.0002829700000000, -0.0029873300000000 ] - [ -0.0000070900000000, -0.0000039400000000, 0.0008306000000000 ] - [ -0.0000797500000000, 0.0000412000000000, -0.0009479900000000 ] - [ 0.0000104500000000, -0.0000002100000000, 0.0004230900000000 ] - [ 0.0001537200000000, 0.0008846400000000, 0.0006902100000000 ] - [ 0.0002641100000000, -0.0008235200000000, 0.0007105400000000 ] - [ -0.0000524700000000, -0.0002010900000000, 0.0003777600000000 ] - [ -0.0000410500000000, 0.0002369300000000, 0.0001703300000000 ] - [ 0.0003738500000000, 0.0006323100000000, -0.0009021100000000 ] - [ -0.0002293200000000, 0.0006348800000000, 0.0009236800000000 ] - [ -0.0007534700000000, -0.0007105900000000, -0.0016120000000000 ] - [ -0.0013011900000000, -0.0051553200000000, 0.0163287700000000 ] - [ 0.0004130800000000, -0.0004294300000000, 0.0008556300000000 ] - [ 0.0006669400000000, -0.0007402300000000, -0.0007930200000000 ] - [ 0.0015187000000000, 0.0005673800000000, 0.0008303700000000 ] - [ -0.0005329500000000, 0.0007531500000000, -0.0008537600000000 ] - [ 0.0002991200000000, -0.0003598200000000, 0.0025461300000000 ] - [ 0.0000716000000000, 0.0001889600000000, -0.0006858700000000 ] - [ 0.0008209600000000, 0.0010375700000000, 0.0037727800000000 ] - [ -0.0001253000000000, -0.0002245100000000, -0.0007661300000000 ] - [ 0.0003922000000000, -0.0007147000000000, 0.0089457900000000 ] - [ 0.0000721500000000, 0.0002441300000000, -0.0018568800000000 ] - [ 0.0012175800000000, 0.0012382500000000, 0.0090304200000000 ] - [ -0.0000754400000000, -0.0002957500000000, -0.0019205800000000 ] - [ -0.0005036900000000, -0.0003481700000000, -0.0011263600000000 ] - [ 0.0013662500000000, 0.0014082700000000, -0.0017556600000000 ] - [ 0.0007174400000000, -0.0008802100000000, -0.0013497600000000 ] - [ -0.0002488600000000, 0.0005817000000000, -0.0004767900000000 ] - [ 0.0010610200000000, 0.0016279700000000, -0.0008619500000000 ] - [ -0.0011503500000000, -0.0007113200000000, -0.0013433100000000 ] - [ -0.0010318300000000, 0.0014586000000000, -0.0003997500000000 ] - [ 0.0009437900000000, -0.0014283200000000, -0.0013520300000000 ] - [ 0.0006575900000000, -0.0003743300000000, -0.0007953200000000 ] - [ 0.0004955200000000, -0.0001768000000000, 0.0009247400000000 ] - [ -0.0005777100000000, 0.0003142300000000, -0.0008712500000000 ] - [ 0.0015370000000000, 0.0000005400000000, 0.0009316900000000 ] - [ 0.0000450000000000, 0.0004499900000000, 0.0007836600000000 ] - [ 0.0004183400000000, 0.0002721700000000, -0.0008593800000000 ] - [ 0.0016487000000000, -0.0003514200000000, 0.0065814400000000 ] - [ -0.0008180400000000, -0.0003402800000000, -0.0015431900000000 ] - [ 0.0094810100000000, 0.0073767500000000, -0.0545065500000000 ] - [ -0.0000198000000000, 0.0000252600000000, 0.0007556900000000 ] - [ -0.0000757100000000, -0.0001146400000000, -0.0034565100000000 ] - [ -0.0000449000000000, -0.0000259500000000, 0.0006238100000000 ] - [ -0.0001693200000000, 0.0001419900000000, -0.0012184700000000 ] - [ 0.0001465500000000, -0.0001742000000000, 0.0004744300000000 ] - [ -0.0001798900000000, -0.0001608200000000, -0.0004349400000000 ] - [ -0.0001465400000000, 0.0001699500000000, 0.0004281500000000 ] - [ -0.0000701500000000, -0.0006741700000000, 0.0003480100000000 ] - [ -0.0000507200000000, 0.0005159100000000, 0.0003094500000000 ] - [ 0.0002626100000000, -0.0003475800000000, 0.0030225100000000 ] - [ 0.0001993400000000, 0.0004629300000000, 0.0036306600000000 ] - [ -0.0001031600000000, 0.0001983300000000, 0.0000164400000000 ] - [ -0.0002678200000000, -0.0001540400000000, 0.0000142200000000 ] - [ -0.0000303900000000, 0.0000678600000000, 0.0003701700000000 ] - [ -0.0000716400000000, -0.0001277200000000, 0.0003688200000000 ] - [ 0.0003704200000000, -0.0000216700000000, 0.0007853500000000 ] - [ -0.0082887400000000, 0.0033963200000000, 0.0033923000000000 ] - [ -0.0003178700000000, -0.0000793400000000, 0.0008288500000000 ] - [ 0.0011215800000000, 0.0011325300000000, -0.0006829300000000 ] - [ -0.0012897400000000, 0.0013504700000000, -0.0004431600000000 ] - [ 0.0004247600000000, -0.0001601500000000, 0.0005177600000000 ] - [ 0.0002545900000000, 0.0001969900000000, -0.0006424300000000 ] - [ -0.0003244100000000, -0.0000469600000000, 0.0006865300000000 ]- atom: 57 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000415100000000, 0.0006668300000000, -0.0013239400000000 ] - [ -0.0009014700000000, 0.0011071400000000, 0.0012932600000000 ] - [ -0.0003727200000000, -0.0009983600000000, -0.0013430200000000 ] - [ 0.0066395300000000, 0.0031464700000000, 0.0008674300000000 ] - [ -0.0027569500000000, 0.0021295200000000, 0.0006822200000000 ] - [ 0.0000659000000000, -0.0010037200000000, -0.0016829700000000 ] - [ 0.0179475300000000, 0.0058903700000000, -0.0063591100000000 ] - [ -0.0002875000000000, 0.0008023400000000, -0.0017704300000000 ] - [ 0.0002144000000000, -0.0004231400000000, -0.0005569900000000 ] - [ 0.0005228400000000, -0.0003169500000000, 0.0005798000000000 ] - [ -0.0000538900000000, 0.0004531700000000, -0.0009691300000000 ] - [ -0.0060332300000000, 0.0026079600000000, -0.0014038000000000 ] - [ 0.0005370600000000, 0.0006826000000000, 0.0004084900000000 ] - [ 0.0001956000000000, 0.0003424100000000, -0.0004696500000000 ] - [ -0.0067676400000000, -0.0031150100000000, -0.0022108800000000 ] - [ -0.0000504800000000, -0.0004594800000000, -0.0009165000000000 ] - [ -0.0003072200000000, -0.0002517000000000, 0.0033401500000000 ] - [ 0.0000064100000000, 0.0000064900000000, -0.0004777400000000 ] - [ 0.0000797100000000, -0.0000391900000000, 0.0005941500000000 ] - [ -0.0000116700000000, 0.0000034900000000, -0.0007766900000000 ] - [ -0.0001484900000000, -0.0008851600000000, -0.0010420700000000 ] - [ -0.0002651600000000, 0.0008226700000000, -0.0010638000000000 ] - [ 0.0000510200000000, 0.0002023600000000, -0.0000233400000000 ] - [ 0.0000426900000000, -0.0002371800000000, 0.0001756500000000 ] - [ 0.0004110400000000, 0.0005340100000000, 0.0009013300000000 ] - [ 0.0010123500000000, 0.0005320400000000, -0.0009186000000000 ] - [ -0.0000579800000000, -0.0004648200000000, 0.0016125900000000 ] - [ 0.0002216000000000, 0.0033551600000000, -0.0154821300000000 ] - [ 0.0003829500000000, -0.0007385600000000, -0.0008673600000000 ] - [ 0.0001510200000000, -0.0004482600000000, 0.0007889300000000 ] - [ -0.0023182300000000, 0.0006037900000000, -0.0008392400000000 ] - [ -0.0002493800000000, 0.0004172600000000, 0.0008520700000000 ] - [ -0.0001413000000000, 0.0002930800000000, -0.0016596500000000 ] - [ 0.0000821300000000, -0.0002503600000000, 0.0015721700000000 ] - [ -0.0009690300000000, -0.0009506100000000, -0.0028452500000000 ] - [ -0.0000254000000000, 0.0003018200000000, 0.0016729600000000 ] - [ -0.0001938600000000, 0.0007312600000000, -0.0098341000000000 ] - [ 0.0000764000000000, -0.0001630700000000, 0.0009411400000000 ] - [ -0.0013853100000000, -0.0013328800000000, -0.0099512400000000 ] - [ -0.0000775600000000, 0.0002322000000000, 0.0010295600000000 ] - [ 0.0003527900000000, 0.0004324300000000, 0.0002090900000000 ] - [ -0.0015260800000000, -0.0013315000000000, 0.0008395500000000 ] - [ -0.0005586000000000, 0.0008131500000000, 0.0004568400000000 ] - [ 0.0004063700000000, -0.0006459500000000, -0.0004114300000000 ] - [ -0.0012257400000000, -0.0016983500000000, 0.0017575900000000 ] - [ 0.0009796700000000, 0.0006413800000000, 0.0022094500000000 ] - [ 0.0012003900000000, -0.0014028600000000, 0.0013023700000000 ] - [ -0.0007807900000000, 0.0014952000000000, 0.0022442100000000 ] - [ 0.0004245800000000, -0.0004291000000000, 0.0007979500000000 ] - [ 0.0005889900000000, -0.0006172300000000, -0.0009175400000000 ] - [ -0.0004880800000000, 0.0004722600000000, 0.0008731300000000 ] - [ -0.0025884400000000, 0.0007753400000000, -0.0009276800000000 ] - [ 0.0010279000000000, 0.0003386800000000, -0.0007944100000000 ] - [ 0.0006458600000000, 0.0005089400000000, 0.0008606100000000 ] - [ -0.0025517400000000, -0.0007849800000000, -0.0071698200000000 ] - [ -0.0002656500000000, -0.0004541200000000, 0.0015396500000000 ] - [ -0.0093388200000000, -0.0060761300000000, 0.0544616300000000 ] - [ 0.0001998200000000, 0.0001866300000000, -0.0006194400000000 ] - [ -0.0001143100000000, -0.0001543900000000, 0.0035967200000000 ] - [ -0.0001350400000000, -0.0001849100000000, -0.0004825800000000 ] - [ 0.0003502600000000, -0.0003462900000000, 0.0010774000000000 ] - [ 0.0000370600000000, -0.0000382800000000, -0.0006169400000000 ] - [ -0.0000013700000000, 0.0003679400000000, 0.0002952100000000 ] - [ -0.0000360500000000, 0.0000414000000000, -0.0005701100000000 ] - [ -0.0001090300000000, 0.0004701700000000, -0.0004876900000000 ] - [ -0.0001307200000000, -0.0007177400000000, -0.0004517800000000 ] - [ -0.0000727000000000, 0.0005480400000000, -0.0031973200000000 ] - [ -0.0000239500000000, -0.0002658700000000, -0.0037225200000000 ] - [ -0.0000788100000000, 0.0000163400000000, 0.0001250000000000 ] - [ 0.0000865400000000, 0.0003638400000000, 0.0001210900000000 ] - [ 0.0002089600000000, -0.0002805100000000, -0.0002255700000000 ] - [ 0.0002557700000000, -0.0000837100000000, -0.0002291800000000 ] - [ 0.0002379200000000, 0.0000183300000000, -0.0007912600000000 ] - [ 0.0087837300000000, -0.0033756800000000, -0.0033904900000000 ] - [ -0.0002842500000000, 0.0000784300000000, -0.0008295000000000 ] - [ -0.0017078900000000, -0.0011211800000000, 0.0006687300000000 ] - [ 0.0018907600000000, -0.0013511700000000, 0.0004400800000000 ] - [ 0.0001697700000000, 0.0001565600000000, -0.0005191800000000 ] - [ -0.0008540600000000, -0.0001982700000000, 0.0006426600000000 ] - [ -0.0002822300000000, 0.0000471800000000, -0.0006888100000000 ]- atom: 73 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0027478500000000, 0.0003380900000000, 0.0000000000000000 ] - [ 0.0000373500000000, 0.0007681100000000, 0.0000000000000000 ] - [ -0.0140729200000000, 0.0062828600000000, 0.0000000000000000 ] - [ -0.0001322100000000, -0.0007508800000000, 0.0000000000000000 ] - [ 0.0001629400000000, -0.0000676900000000, 0.0003500100000000 ] - [ 0.0001629400000000, -0.0000676900000000, -0.0003500100000000 ] - [ 0.0011058600000000, 0.0004019500000000, 0.0001573400000000 ] - [ 0.0011058600000000, 0.0004019500000000, -0.0001573400000000 ] - [ -0.0022849000000000, -0.0009558300000000, 0.0000000000000000 ] - [ 0.0002093000000000, -0.0004128400000000, 0.0000000000000000 ] - [ 0.0024159200000000, 0.0003964300000000, 0.0000000000000000 ] - [ -0.0001556700000000, 0.0004676300000000, 0.0000000000000000 ] - [ 0.0003694600000000, 0.0005473600000000, -0.0001111600000000 ] - [ 0.0003694600000000, 0.0005473600000000, 0.0001111600000000 ] - [ -0.0009419500000000, -0.0005692500000000, -0.0003055100000000 ] - [ -0.0009419500000000, -0.0005692500000000, 0.0003055100000000 ] - [ -0.0000058700000000, -0.0000348800000000, 0.0001996000000000 ] - [ 0.0001424600000000, -0.0005303400000000, -0.0003638200000000 ] - [ -0.0000701200000000, -0.0000822400000000, -0.0002357900000000 ] - [ 0.0056388000000000, -0.0028005700000000, 0.0064606100000000 ] - [ 0.0001424600000000, -0.0005303400000000, 0.0003638200000000 ] - [ -0.0000058700000000, -0.0000348800000000, -0.0001996000000000 ] - [ 0.0056388000000000, -0.0028005700000000, -0.0064606100000000 ] - [ -0.0000701200000000, -0.0000822400000000, 0.0002357900000000 ] - [ -0.0013471500000000, -0.0003349400000000, 0.0000000000000000 ] - [ 0.0003103000000000, 0.0005261600000000, 0.0000000000000000 ] - [ 0.0064190700000000, 0.0040622300000000, 0.0000000000000000 ] - [ -0.0003248600000000, -0.0005032500000000, 0.0000000000000000 ] - [ 0.0011872100000000, -0.0010642800000000, 0.0001289900000000 ] - [ 0.0011872100000000, -0.0010642800000000, -0.0001289900000000 ] - [ -0.0011574600000000, 0.0006860400000000, 0.0010785400000000 ] - [ -0.0011574600000000, 0.0006860400000000, -0.0010785400000000 ] - [ -0.0000086300000000, -0.0001098600000000, 0.0005351300000000 ] - [ -0.0011246800000000, -0.0002524400000000, -0.0001260000000000 ] - [ 0.0000060300000000, 0.0000166500000000, 0.0005380000000000 ] - [ 0.0022421100000000, -0.0008821400000000, -0.0002014400000000 ] - [ 0.0000385800000000, 0.0000042600000000, -0.0008687900000000 ] - [ 0.0069964900000000, 0.0013716000000000, -0.0038550100000000 ] - [ -0.0002726400000000, 0.0000044900000000, -0.0004936400000000 ] - [ -0.0022303800000000, -0.0001680400000000, 0.0002377600000000 ] - [ 0.0022421100000000, -0.0008821400000000, 0.0002014400000000 ] - [ 0.0000060300000000, 0.0000166500000000, -0.0005380000000000 ] - [ -0.0011246800000000, -0.0002524400000000, 0.0001260000000000 ] - [ -0.0000086300000000, -0.0001098600000000, -0.0005351300000000 ] - [ -0.0022303800000000, -0.0001680400000000, -0.0002377600000000 ] - [ -0.0002726400000000, 0.0000044900000000, 0.0004936400000000 ] - [ 0.0069964900000000, 0.0013716000000000, 0.0038550100000000 ] - [ 0.0000385800000000, 0.0000042600000000, 0.0008687900000000 ] - [ -0.0017136100000000, 0.0020639600000000, 0.0000000000000000 ] - [ 0.0005458000000000, -0.0004307100000000, 0.0000000000000000 ] - [ 0.0054173500000000, -0.0036597900000000, 0.0000000000000000 ] - [ -0.0004211900000000, 0.0004243900000000, 0.0000000000000000 ] - [ 0.0004907700000000, 0.0002440000000000, -0.0001258600000000 ] - [ 0.0004907700000000, 0.0002440000000000, 0.0001258600000000 ] - [ -0.0011284900000000, -0.0002623000000000, -0.0007457500000000 ] - [ -0.0011284900000000, -0.0002623000000000, 0.0007457500000000 ] - [ 0.0001117100000000, 0.0001170700000000, 0.0001374200000000 ] - [ 0.0058493800000000, -0.0023791600000000, -0.0085252900000000 ] - [ -0.0000334600000000, -0.0000820300000000, 0.0000899600000000 ] - [ 0.0008105700000000, 0.0012071500000000, -0.0013483800000000 ] - [ 0.0000484500000000, -0.0000279300000000, -0.0002028700000000 ] - [ 0.0007351300000000, 0.0010938500000000, 0.0015181200000000 ] - [ -0.0000859000000000, 0.0001361900000000, -0.0000917600000000 ] - [ -0.0001808600000000, 0.0000610600000000, 0.0004757900000000 ] - [ 0.0008105700000000, 0.0012071500000000, 0.0013483800000000 ] - [ -0.0000334600000000, -0.0000820300000000, -0.0000899600000000 ] - [ 0.0058493800000000, -0.0023791600000000, 0.0085252900000000 ] - [ 0.0001117100000000, 0.0001170700000000, -0.0001374200000000 ] - [ -0.0001808600000000, 0.0000610600000000, -0.0004757900000000 ] - [ -0.0000859000000000, 0.0001361900000000, 0.0000917600000000 ] - [ 0.0007351300000000, 0.0010938500000000, -0.0015181200000000 ] - [ 0.0000484500000000, -0.0000279300000000, 0.0002028700000000 ] - [ -0.0368536300000000, -0.0017187900000000, 0.0000000000000000 ] - [ 0.0002331100000000, -0.0000659800000000, 0.0000000000000000 ] - [ 0.0014830200000000, 0.0001548000000000, 0.0000000000000000 ] - [ -0.0002788300000000, 0.0000014900000000, 0.0000000000000000 ] - [ 0.0005770700000000, 0.0000017800000000, -0.0001532100000000 ] - [ 0.0005770700000000, 0.0000017800000000, 0.0001532100000000 ] - [ -0.0003896300000000, 0.0000931000000000, -0.0001405500000000 ] - [ -0.0003896300000000, 0.0000931000000000, 0.0001405500000000 ]- atom: 73 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0027917900000000, 0.0010588600000000, 0.0000000000000000 ] - [ -0.0000736800000000, 0.0006093100000000, 0.0000000000000000 ] - [ 0.0141668000000000, -0.0075038500000000, 0.0000000000000000 ] - [ 0.0001657000000000, -0.0006274300000000, 0.0000000000000000 ] - [ -0.0001899900000000, -0.0013289700000000, -0.0003643700000000 ] - [ -0.0001899900000000, -0.0013289700000000, 0.0003643700000000 ] - [ -0.0010728000000000, 0.0009685900000000, -0.0001416000000000 ] - [ -0.0010728000000000, 0.0009685900000000, 0.0001416000000000 ] - [ 0.0027727600000000, -0.0000433000000000, 0.0000000000000000 ] - [ 0.0002744600000000, -0.0005466500000000, 0.0000000000000000 ] - [ -0.0028945800000000, 0.0005463300000000, 0.0000000000000000 ] - [ -0.0003259700000000, 0.0004895300000000, 0.0000000000000000 ] - [ 0.0001122100000000, 0.0004139100000000, 0.0001142400000000 ] - [ 0.0001122100000000, 0.0004139100000000, -0.0001142400000000 ] - [ 0.0004624200000000, -0.0003826100000000, 0.0003005600000000 ] - [ 0.0004624200000000, -0.0003826100000000, -0.0003005600000000 ] - [ 0.0000057500000000, 0.0000338600000000, 0.0001453100000000 ] - [ -0.0001428300000000, 0.0005311500000000, 0.0007095700000000 ] - [ 0.0000731200000000, 0.0000830300000000, -0.0001075500000000 ] - [ -0.0056856100000000, 0.0028347700000000, -0.0068953600000000 ] - [ -0.0001428300000000, 0.0005311500000000, -0.0007095700000000 ] - [ 0.0000057500000000, 0.0000338600000000, -0.0001453100000000 ] - [ -0.0056856100000000, 0.0028347700000000, 0.0068953600000000 ] - [ 0.0000731200000000, 0.0000830300000000, 0.0001075500000000 ] - [ 0.0021415000000000, 0.0014876200000000, 0.0000000000000000 ] - [ 0.0004794600000000, 0.0006399500000000, 0.0000000000000000 ] - [ -0.0069493600000000, -0.0054876800000000, 0.0000000000000000 ] - [ -0.0004748800000000, -0.0006714600000000, 0.0000000000000000 ] - [ -0.0003929400000000, -0.0001074500000000, -0.0001335200000000 ] - [ -0.0003929400000000, -0.0001074500000000, 0.0001335200000000 ] - [ 0.0003697500000000, 0.0004832900000000, -0.0010799600000000 ] - [ 0.0003697500000000, 0.0004832900000000, 0.0010799600000000 ] - [ 0.0001720300000000, 0.0000428100000000, 0.0003585300000000 ] - [ 0.0012866300000000, 0.0001694900000000, 0.0010236100000000 ] - [ -0.0001680200000000, 0.0000644800000000, 0.0003691400000000 ] - [ -0.0024025900000000, 0.0009685900000000, 0.0011222700000000 ] - [ 0.0001195100000000, 0.0000807100000000, -0.0000334100000000 ] - [ -0.0068908900000000, -0.0013471700000000, 0.0030333300000000 ] - [ 0.0001133400000000, -0.0000745800000000, -0.0004057700000000 ] - [ 0.0020634100000000, 0.0000981300000000, -0.0011083700000000 ] - [ -0.0024025900000000, 0.0009685900000000, -0.0011222700000000 ] - [ -0.0001680200000000, 0.0000644800000000, -0.0003691400000000 ] - [ 0.0012866300000000, 0.0001694900000000, -0.0010236100000000 ] - [ 0.0001720300000000, 0.0000428100000000, -0.0003585300000000 ] - [ 0.0020634100000000, 0.0000981300000000, 0.0011083700000000 ] - [ 0.0001133400000000, -0.0000745800000000, 0.0004057700000000 ] - [ -0.0068908900000000, -0.0013471700000000, -0.0030333300000000 ] - [ 0.0001195100000000, 0.0000807100000000, 0.0000334100000000 ] - [ 0.0027942900000000, -0.0028793800000000, 0.0000000000000000 ] - [ 0.0005191100000000, -0.0003528400000000, 0.0000000000000000 ] - [ -0.0070556200000000, 0.0040697400000000, 0.0000000000000000 ] - [ -0.0006375500000000, 0.0003459900000000, 0.0000000000000000 ] - [ 0.0005703400000000, 0.0005357500000000, 0.0001310500000000 ] - [ 0.0005703400000000, 0.0005357500000000, -0.0001310500000000 ] - [ 0.0000656700000000, -0.0005188900000000, 0.0007398200000000 ] - [ 0.0000656700000000, -0.0005188900000000, -0.0007398200000000 ] - [ 0.0000666200000000, 0.0000984600000000, 0.0000049200000000 ] - [ -0.0056367900000000, 0.0025384600000000, 0.0085419900000000 ] - [ -0.0001500000000000, -0.0001296000000000, 0.0000537600000000 ] - [ -0.0009987900000000, -0.0014035500000000, 0.0014732800000000 ] - [ 0.0001322000000000, -0.0001856500000000, 0.0000585200000000 ] - [ -0.0005562300000000, -0.0013121600000000, -0.0016586900000000 ] - [ -0.0000947300000000, 0.0000776600000000, -0.0000519400000000 ] - [ 0.0000032300000000, 0.0001533200000000, -0.0006223300000000 ] - [ -0.0009987900000000, -0.0014035500000000, -0.0014732800000000 ] - [ -0.0001500000000000, -0.0001296000000000, -0.0000537600000000 ] - [ -0.0056367900000000, 0.0025384600000000, -0.0085419900000000 ] - [ 0.0000666200000000, 0.0000984600000000, -0.0000049200000000 ] - [ 0.0000032300000000, 0.0001533200000000, 0.0006223300000000 ] - [ -0.0000947300000000, 0.0000776600000000, 0.0000519400000000 ] - [ -0.0005562300000000, -0.0013121600000000, 0.0016586900000000 ] - [ 0.0001322000000000, -0.0001856500000000, -0.0000585200000000 ] - [ 0.0378415300000000, 0.0023794000000000, 0.0000000000000000 ] - [ 0.0003773400000000, 0.0000698900000000, 0.0000000000000000 ] - [ -0.0020857700000000, -0.0001477800000000, 0.0000000000000000 ] - [ -0.0003283400000000, -0.0000017100000000, 0.0000000000000000 ] - [ 0.0000274800000000, -0.0000069000000000, 0.0001552200000000 ] - [ 0.0000274800000000, -0.0000069000000000, -0.0001552200000000 ] - [ -0.0002191900000000, -0.0000962100000000, 0.0001396000000000 ] - [ -0.0002191900000000, -0.0000962100000000, -0.0001396000000000 ]- atom: 73 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0002822900000000, 0.0033961200000000, 0.0000000000000000 ] - [ 0.0000190200000000, 0.0009005900000000, 0.0000000000000000 ] - [ 0.0067159800000000, 0.0334885900000000, 0.0000000000000000 ] - [ -0.0000155500000000, -0.0008831800000000, 0.0000000000000000 ] - [ 0.0000378800000000, 0.0019698400000000, 0.0026641800000000 ] - [ 0.0000378800000000, 0.0019698400000000, -0.0026641800000000 ] - [ 0.0001644400000000, 0.0000103700000000, -0.0003242900000000 ] - [ 0.0001644400000000, 0.0000103700000000, 0.0003242900000000 ] - [ 0.0001956300000000, 0.0105958700000000, 0.0000000000000000 ] - [ 0.0002152400000000, -0.0002553100000000, 0.0000000000000000 ] - [ -0.0006372600000000, 0.0002961100000000, 0.0000000000000000 ] - [ -0.0002392000000000, 0.0004652200000000, 0.0000000000000000 ] - [ 0.0002193300000000, 0.0005767300000000, -0.0000193400000000 ] - [ 0.0002193300000000, 0.0005767300000000, 0.0000193400000000 ] - [ -0.0003225000000000, -0.0012897600000000, -0.0012570900000000 ] - [ -0.0003225000000000, -0.0012897600000000, 0.0012570900000000 ] - [ 0.0000019500000000, 0.0001504100000000, 0.0000668900000000 ] - [ -0.0004544300000000, 0.0013050000000000, 0.0010130900000000 ] - [ -0.0002429800000000, -0.0001462700000000, -0.0001139300000000 ] - [ -0.0031411400000000, -0.0021139400000000, -0.0019580600000000 ] - [ -0.0004544300000000, 0.0013050000000000, -0.0010130900000000 ] - [ 0.0000019500000000, 0.0001504100000000, -0.0000668900000000 ] - [ -0.0031411400000000, -0.0021139400000000, 0.0019580600000000 ] - [ -0.0002429800000000, -0.0001462700000000, 0.0001139300000000 ] - [ -0.0008407500000000, -0.0016307200000000, 0.0000000000000000 ] - [ 0.0002067100000000, 0.0004564700000000, 0.0000000000000000 ] - [ 0.0027625000000000, 0.0013512300000000, 0.0000000000000000 ] - [ -0.0005030000000000, -0.0003712400000000, 0.0000000000000000 ] - [ 0.0010690000000000, -0.0018099700000000, -0.0003974900000000 ] - [ 0.0010690000000000, -0.0018099700000000, 0.0003974900000000 ] - [ -0.0004819300000000, 0.0010614000000000, 0.0007863300000000 ] - [ -0.0004819300000000, 0.0010614000000000, -0.0007863300000000 ] - [ 0.0000852600000000, -0.0002489600000000, 0.0005930800000000 ] - [ -0.0000621000000000, -0.0017517200000000, 0.0004173600000000 ] - [ -0.0000607500000000, -0.0001199700000000, 0.0006951600000000 ] - [ -0.0008180800000000, -0.0029749800000000, -0.0016686400000000 ] - [ -0.0000411600000000, 0.0000954000000000, -0.0017274300000000 ] - [ 0.0012223700000000, 0.0110877400000000, -0.0094434600000000 ] - [ -0.0002299300000000, 0.0003022000000000, -0.0002047600000000 ] - [ -0.0006721800000000, 0.0012734900000000, -0.0008902200000000 ] - [ -0.0008180800000000, -0.0029749800000000, 0.0016686400000000 ] - [ -0.0000607500000000, -0.0001199700000000, -0.0006951600000000 ] - [ -0.0000621000000000, -0.0017517200000000, -0.0004173600000000 ] - [ 0.0000852600000000, -0.0002489600000000, -0.0005930800000000 ] - [ -0.0006721800000000, 0.0012734900000000, 0.0008902200000000 ] - [ -0.0002299300000000, 0.0003022000000000, 0.0002047600000000 ] - [ 0.0012223700000000, 0.0110877400000000, 0.0094434600000000 ] - [ -0.0000411600000000, 0.0000954000000000, 0.0017274300000000 ] - [ 0.0030412900000000, -0.0026553400000000, 0.0000000000000000 ] - [ 0.0007073100000000, -0.0005323900000000, 0.0000000000000000 ] - [ -0.0030244500000000, 0.0057674200000000, 0.0000000000000000 ] - [ -0.0003912500000000, 0.0005802400000000, 0.0000000000000000 ] - [ 0.0001736000000000, -0.0007283200000000, -0.0001671400000000 ] - [ 0.0001736000000000, -0.0007283200000000, 0.0001671400000000 ] - [ -0.0004891400000000, 0.0002249800000000, 0.0009889200000000 ] - [ -0.0004891400000000, 0.0002249800000000, -0.0009889200000000 ] - [ 0.0003501400000000, -0.0001745700000000, 0.0000493800000000 ] - [ -0.0019961300000000, -0.0033909300000000, 0.0034696300000000 ] - [ 0.0001466100000000, -0.0000547400000000, 0.0001517600000000 ] - [ 0.0017791300000000, 0.0009151600000000, -0.0010676600000000 ] - [ 0.0000671500000000, -0.0000783100000000, -0.0002307400000000 ] - [ 0.0009020000000000, 0.0006067300000000, 0.0012798700000000 ] - [ -0.0001261900000000, 0.0002876900000000, -0.0000223000000000 ] - [ 0.0000467200000000, 0.0012520000000000, -0.0002702600000000 ] - [ 0.0017791300000000, 0.0009151600000000, 0.0010676600000000 ] - [ 0.0001466100000000, -0.0000547400000000, -0.0001517600000000 ] - [ -0.0019961300000000, -0.0033909300000000, -0.0034696300000000 ] - [ 0.0003501400000000, -0.0001745700000000, -0.0000493800000000 ] - [ 0.0000467200000000, 0.0012520000000000, 0.0002702600000000 ] - [ -0.0001261900000000, 0.0002876900000000, 0.0000223000000000 ] - [ 0.0009020000000000, 0.0006067300000000, -0.0012798700000000 ] - [ 0.0000671500000000, -0.0000783100000000, 0.0002307400000000 ] - [ -0.0017713300000000, -0.0638095800000000, 0.0000000000000000 ] - [ 0.0002281800000000, -0.0002530700000000, 0.0000000000000000 ] - [ -0.0001530800000000, -0.0007373800000000, 0.0000000000000000 ] - [ -0.0002990000000000, -0.0000461800000000, 0.0000000000000000 ] - [ 0.0003017600000000, 0.0001044600000000, -0.0002823000000000 ] - [ 0.0003017600000000, 0.0001044600000000, 0.0002823000000000 ] - [ -0.0003960500000000, 0.0005970900000000, -0.0006042100000000 ] - [ -0.0003960500000000, 0.0005970900000000, 0.0006042100000000 ]- atom: 73 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0002417600000000, -0.0019980400000000, 0.0000000000000000 ] - [ -0.0000570000000000, 0.0004745600000000, 0.0000000000000000 ] - [ -0.0068134000000000, -0.0355843800000000, 0.0000000000000000 ] - [ 0.0000529700000000, -0.0004928400000000, 0.0000000000000000 ] - [ -0.0000658600000000, -0.0033685800000000, -0.0026583700000000 ] - [ -0.0000658600000000, -0.0033685800000000, 0.0026583700000000 ] - [ -0.0001292300000000, 0.0013665900000000, 0.0003248400000000 ] - [ -0.0001292300000000, 0.0013665900000000, -0.0003248400000000 ] - [ 0.0002837500000000, -0.0113751200000000, 0.0000000000000000 ] - [ 0.0002680700000000, -0.0007043200000000, 0.0000000000000000 ] - [ 0.0001561500000000, 0.0006591500000000, 0.0000000000000000 ] - [ -0.0002424400000000, 0.0004918100000000, 0.0000000000000000 ] - [ 0.0002621300000000, 0.0003798400000000, 0.0000216700000000 ] - [ 0.0002621300000000, 0.0003798400000000, -0.0000216700000000 ] - [ -0.0001597700000000, 0.0003403100000000, 0.0012615000000000 ] - [ -0.0001597700000000, 0.0003403100000000, -0.0012615000000000 ] - [ -0.0000009000000000, -0.0001510000000000, 0.0002829200000000 ] - [ 0.0004594700000000, -0.0013045700000000, -0.0006665400000000 ] - [ 0.0002444100000000, 0.0001459600000000, -0.0002349900000000 ] - [ 0.0031620500000000, 0.0020826200000000, 0.0016177400000000 ] - [ 0.0004594700000000, -0.0013045700000000, 0.0006665400000000 ] - [ -0.0000009000000000, -0.0001510000000000, -0.0002829200000000 ] - [ 0.0031620500000000, 0.0020826200000000, -0.0016177400000000 ] - [ 0.0002444100000000, 0.0001459600000000, 0.0002349900000000 ] - [ 0.0016360800000000, 0.0028079000000000, 0.0000000000000000 ] - [ 0.0005736300000000, 0.0007113100000000, 0.0000000000000000 ] - [ -0.0033606000000000, -0.0029389900000000, 0.0000000000000000 ] - [ -0.0002976600000000, -0.0008107400000000, 0.0000000000000000 ] - [ -0.0002610700000000, 0.0006326500000000, 0.0003911300000000 ] - [ -0.0002610700000000, 0.0006326500000000, -0.0003911300000000 ] - [ -0.0002988100000000, 0.0001042800000000, -0.0007825800000000 ] - [ -0.0002988100000000, 0.0001042800000000, 0.0007825800000000 ] - [ 0.0000743600000000, 0.0001850600000000, 0.0002930300000000 ] - [ 0.0002150300000000, 0.0016599600000000, 0.0005035500000000 ] - [ -0.0000932300000000, 0.0001997900000000, 0.0002078300000000 ] - [ 0.0006728800000000, 0.0030583800000000, 0.0026023900000000 ] - [ 0.0001913200000000, -0.0000094700000000, 0.0008201200000000 ] - [ -0.0010286600000000, -0.0109577400000000, 0.0082530100000000 ] - [ 0.0000715400000000, -0.0003690600000000, -0.0006855900000000 ] - [ 0.0005242500000000, -0.0013393800000000, 0.0000014800000000 ] - [ 0.0006728800000000, 0.0030583800000000, -0.0026023900000000 ] - [ -0.0000932300000000, 0.0001997900000000, -0.0002078300000000 ] - [ 0.0002150300000000, 0.0016599600000000, -0.0005035500000000 ] - [ 0.0000743600000000, 0.0001850600000000, -0.0002930300000000 ] - [ 0.0005242500000000, -0.0013393800000000, -0.0000014800000000 ] - [ 0.0000715400000000, -0.0003690600000000, 0.0006855900000000 ] - [ -0.0010286600000000, -0.0109577400000000, -0.0082530100000000 ] - [ 0.0001913200000000, -0.0000094700000000, -0.0008201200000000 ] - [ -0.0019539300000000, 0.0018697300000000, 0.0000000000000000 ] - [ 0.0003673500000000, -0.0002584400000000, 0.0000000000000000 ] - [ 0.0018177700000000, -0.0051964800000000, 0.0000000000000000 ] - [ -0.0006700500000000, 0.0001949000000000, 0.0000000000000000 ] - [ 0.0008840600000000, 0.0015167700000000, 0.0001689300000000 ] - [ 0.0008840600000000, 0.0015167700000000, -0.0001689300000000 ] - [ -0.0005891100000000, -0.0010209300000000, -0.0009922700000000 ] - [ -0.0005891100000000, -0.0010209300000000, 0.0009922700000000 ] - [ -0.0001713100000000, 0.0003941900000000, 0.0000958300000000 ] - [ 0.0021447300000000, 0.0036439100000000, -0.0032951200000000 ] - [ -0.0003282100000000, -0.0001627700000000, -0.0000060100000000 ] - [ -0.0019500800000000, -0.0011372100000000, 0.0011915800000000 ] - [ 0.0001113300000000, -0.0001370100000000, 0.0000832200000000 ] - [ -0.0007277300000000, -0.0008225500000000, -0.0014241900000000 ] - [ -0.0000552800000000, -0.0000714500000000, -0.0001219600000000 ] - [ -0.0002299000000000, -0.0010344000000000, 0.0001180600000000 ] - [ -0.0019500800000000, -0.0011372100000000, -0.0011915800000000 ] - [ -0.0003282100000000, -0.0001627700000000, 0.0000060100000000 ] - [ 0.0021447300000000, 0.0036439100000000, 0.0032951200000000 ] - [ -0.0001713100000000, 0.0003941900000000, -0.0000958300000000 ] - [ -0.0002299000000000, -0.0010344000000000, -0.0001180600000000 ] - [ -0.0000552800000000, -0.0000714500000000, 0.0001219600000000 ] - [ -0.0007277300000000, -0.0008225500000000, 0.0014241900000000 ] - [ 0.0001113300000000, -0.0001370100000000, -0.0000832200000000 ] - [ 0.0023336100000000, 0.0648854700000000, 0.0000000000000000 ] - [ 0.0003713600000000, 0.0002527500000000, 0.0000000000000000 ] - [ -0.0004497500000000, 0.0007306600000000, 0.0000000000000000 ] - [ -0.0003063600000000, 0.0000468800000000, 0.0000000000000000 ] - [ 0.0003047500000000, -0.0001062000000000, 0.0002873800000000 ] - [ 0.0003047500000000, -0.0001062000000000, -0.0002873800000000 ] - [ -0.0002088000000000, -0.0006008900000000, 0.0006090900000000 ] - [ -0.0002088000000000, -0.0006008900000000, -0.0006090900000000 ]- atom: 73 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0000247300000000, 0.0006997400000000, -0.0012127800000000 ] - [ -0.0000304100000000, 0.0007000900000000, 0.0014663900000000 ] - [ 0.0000356800000000, -0.0006141800000000, -0.0088530200000000 ] - [ 0.0000277600000000, -0.0007034400000000, 0.0016733000000000 ] - [ -0.0001039300000000, 0.0026383700000000, 0.0066225900000000 ] - [ 0.0000868200000000, -0.0040205400000000, 0.0065948900000000 ] - [ 0.0002969100000000, 0.0007839300000000, 0.0007294800000000 ] - [ -0.0002486500000000, 0.0006114900000000, 0.0007320900000000 ] - [ 0.0002407800000000, -0.0004969500000000, -0.0038780200000000 ] - [ 0.0002424300000000, -0.0004797400000000, 0.0010478600000000 ] - [ -0.0002418500000000, 0.0004781900000000, -0.0008437900000000 ] - [ -0.0002416700000000, 0.0004793000000000, 0.0007276400000000 ] - [ 0.0002781600000000, 0.0007279000000000, 0.0000811700000000 ] - [ 0.0002032300000000, 0.0002322400000000, 0.0000834500000000 ] - [ -0.0005033100000000, -0.0022641900000000, 0.0021850300000000 ] - [ 0.0000189700000000, 0.0012908000000000, 0.0021574100000000 ] - [ 0.0000414700000000, 0.0000844800000000, 0.0007877000000000 ] - [ -0.0002650200000000, -0.0000550200000000, -0.0004177600000000 ] - [ -0.0002798200000000, -0.0000820400000000, 0.0007139400000000 ] - [ 0.0061075400000000, -0.0016139500000000, 0.0010457100000000 ] - [ 0.0002659100000000, 0.0000554200000000, -0.0007713600000000 ] - [ -0.0000405500000000, -0.0000862300000000, 0.0004380500000000 ] - [ -0.0061533300000000, 0.0016345800000000, 0.0013782300000000 ] - [ 0.0002806000000000, 0.0000820600000000, 0.0010620400000000 ] - [ 0.0003908200000000, 0.0005816000000000, 0.0020335700000000 ] - [ 0.0003970800000000, 0.0005853000000000, -0.0012926200000000 ] - [ -0.0004098400000000, -0.0005868000000000, 0.0090520500000000 ] - [ -0.0003998600000000, -0.0005874000000000, -0.0012378400000000 ] - [ 0.0023383900000000, -0.0025468900000000, -0.0015292500000000 ] - [ -0.0015134900000000, 0.0013537300000000, -0.0015334500000000 ] - [ 0.0003277800000000, 0.0013160500000000, -0.0004989600000000 ] - [ -0.0011087100000000, -0.0001419200000000, -0.0004983400000000 ] - [ 0.0000792600000000, 0.0001479200000000, -0.0006711800000000 ] - [ -0.0000132200000000, -0.0001873000000000, 0.0015984000000000 ] - [ -0.0000323900000000, -0.0003143700000000, -0.0008286300000000 ] - [ -0.0002282400000000, 0.0002519500000000, 0.0021860300000000 ] - [ -0.0000674700000000, 0.0002038100000000, -0.0037258800000000 ] - [ -0.0028705300000000, -0.0082620700000000, 0.0235858600000000 ] - [ -0.0002442600000000, -0.0001598000000000, -0.0015698500000000 ] - [ 0.0013357600000000, -0.0000569900000000, 0.0002518700000000 ] - [ 0.0000811900000000, -0.0001678800000000, 0.0012805800000000 ] - [ -0.0001248400000000, 0.0003845700000000, -0.0017271300000000 ] - [ 0.0001649500000000, 0.0001227400000000, 0.0007137200000000 ] - [ 0.0000798800000000, -0.0002163300000000, -0.0015630100000000 ] - [ -0.0014952600000000, -0.0000129200000000, 0.0011598800000000 ] - [ 0.0000930400000000, 0.0000873600000000, -0.0006733000000000 ] - [ 0.0033059800000000, 0.0091448600000000, 0.0260715600000000 ] - [ 0.0002147100000000, -0.0001232900000000, -0.0028101200000000 ] - [ 0.0005361600000000, -0.0003962100000000, 0.0021520300000000 ] - [ 0.0005401900000000, -0.0003958300000000, -0.0012541700000000 ] - [ -0.0005270400000000, 0.0003935700000000, 0.0089003700000000 ] - [ -0.0005322100000000, 0.0003914300000000, -0.0011780500000000 ] - [ -0.0010386300000000, -0.0018915200000000, -0.0015191400000000 ] - [ 0.0020938100000000, 0.0026755500000000, -0.0015228200000000 ] - [ -0.0014403400000000, 0.0004067500000000, -0.0005984400000000 ] - [ 0.0003508300000000, -0.0011961800000000, -0.0005978000000000 ] - [ 0.0003066800000000, -0.0001925600000000, 0.0008563300000000 ] - [ -0.0082494600000000, 0.0034136300000000, 0.0034605100000000 ] - [ 0.0002529800000000, 0.0000338000000000, 0.0008947100000000 ] - [ -0.0023408400000000, -0.0018033400000000, -0.0006020500000000 ] - [ 0.0001090900000000, -0.0002184000000000, 0.0004495500000000 ] - [ 0.0007035700000000, 0.0005330100000000, -0.0005100100000000 ] - [ -0.0002402900000000, 0.0003503900000000, 0.0006171000000000 ] - [ 0.0004560300000000, -0.0004418900000000, -0.0007108700000000 ] - [ 0.0021652900000000, 0.0015946300000000, -0.0007488700000000 ] - [ -0.0004358100000000, -0.0002438900000000, 0.0007557800000000 ] - [ 0.0085301600000000, -0.0032229200000000, 0.0033211300000000 ] - [ -0.0001252500000000, 0.0004044800000000, 0.0007150500000000 ] - [ -0.0006411300000000, 0.0006579400000000, -0.0005727200000000 ] - [ 0.0000596800000000, -0.0001425000000000, 0.0007539700000000 ] - [ -0.0005246100000000, -0.0007461400000000, -0.0003742500000000 ] - [ 0.0000715800000000, 0.0000085700000000, 0.0005895500000000 ] - [ -0.0000661300000000, -0.0008610400000000, -0.0756069100000000 ] - [ 0.0003010400000000, 0.0000010500000000, 0.0012170200000000 ] - [ -0.0002983300000000, -0.0000020200000000, -0.0013377000000000 ] - [ -0.0003039800000000, -0.0000010100000000, 0.0007755900000000 ] - [ 0.0004558900000000, -0.0002886700000000, -0.0000549800000000 ] - [ 0.0001426500000000, 0.0002810100000000, -0.0000525300000000 ] - [ -0.0004436800000000, 0.0006059400000000, 0.0002276500000000 ] - [ -0.0001615800000000, -0.0006058200000000, 0.0002307900000000 ]