# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/bc9f1f26-b5dd-4ed7-aac1-892b91be2b2f/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 Li9Ga3P8O29 / P-3c1 (165) / materials id 560058](https://mdr.nims.go.jp/datasets/e3b69144-9957-4289-901f-5e7cb3861f83) ## 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: "P-3c1" number: 165 Hall_symbol: "-P 3 2\"c"supercell_matrix:- [ 1, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 9.654669159999999, 0.000000000000000, 0.000000000000000 ] # a - [ -4.827334570000000, 8.361188759999999, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 13.573965800000000 ] # c points: - symbol: Li # 1 coordinates: [ 0.235623260000000, 0.898730490000000, 0.436865790000000 ] mass: 6.941000 - symbol: Li # 2 coordinates: [ 0.898730490000000, 0.663107230000000, 0.563134210000000 ] mass: 6.941000 - symbol: Li # 3 coordinates: [ 0.101269510000000, 0.764376740000000, 0.936865790000000 ] mass: 6.941000 - symbol: Li # 4 coordinates: [ 0.764376740000000, 0.101269510000000, 0.563134210000000 ] mass: 6.941000 - symbol: Li # 5 coordinates: [ 0.333333330000000, 0.666666670000000, 0.619034130000000 ] mass: 6.941000 - symbol: Li # 6 coordinates: [ 0.764376740000000, 0.663107230000000, 0.063134210000000 ] mass: 6.941000 - symbol: Li # 7 coordinates: [ 0.235623260000000, 0.336892770000000, 0.936865790000000 ] mass: 6.941000 - symbol: Li # 8 coordinates: [ 0.336892770000000, 0.235623260000000, 0.563134210000000 ] mass: 6.941000 - symbol: Li # 9 coordinates: [ 0.666666670000000, 0.333333330000000, 0.880965870000000 ] mass: 6.941000 - symbol: Li # 10 coordinates: [ 0.336892770000000, 0.101269510000000, 0.063134210000000 ] mass: 6.941000 - symbol: Li # 11 coordinates: [ 0.000000000000000, 0.000000000000000, 0.500000000000000 ] mass: 6.941000 - symbol: Li # 12 coordinates: [ 0.898730490000000, 0.235623260000000, 0.063134210000000 ] mass: 6.941000 - symbol: Li # 13 coordinates: [ 0.666666670000000, 0.333333330000000, 0.380965870000000 ] mass: 6.941000 - symbol: Li # 14 coordinates: [ 0.663107230000000, 0.764376740000000, 0.436865790000000 ] mass: 6.941000 - symbol: Li # 15 coordinates: [ 0.663107230000000, 0.898730490000000, 0.936865790000000 ] mass: 6.941000 - symbol: Li # 16 coordinates: [ 0.101269510000000, 0.336892770000000, 0.436865790000000 ] mass: 6.941000 - symbol: Li # 17 coordinates: [ 0.333333330000000, 0.666666670000000, 0.119034130000000 ] mass: 6.941000 - symbol: Li # 18 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 6.941000 - symbol: Ga # 19 coordinates: [ 0.000000000000000, 0.566285920000000, 0.750000000000000 ] mass: 69.723000 - symbol: Ga # 20 coordinates: [ 0.433714080000000, 0.433714080000000, 0.750000000000000 ] mass: 69.723000 - symbol: Ga # 21 coordinates: [ 0.566285920000000, 0.000000000000000, 0.750000000000000 ] mass: 69.723000 - symbol: Ga # 22 coordinates: [ 0.433714080000000, 0.000000000000000, 0.250000000000000 ] mass: 69.723000 - symbol: Ga # 23 coordinates: [ 0.000000000000000, 0.433714080000000, 0.250000000000000 ] mass: 69.723000 - symbol: Ga # 24 coordinates: [ 0.566285920000000, 0.566285920000000, 0.250000000000000 ] mass: 69.723000 - symbol: P # 25 coordinates: [ 0.666666670000000, 0.333333330000000, 0.126604680000000 ] mass: 30.973762 - symbol: P # 26 coordinates: [ 0.773644580000000, 0.683210960000000, 0.844526560000000 ] mass: 30.973762 - symbol: P # 27 coordinates: [ 0.683210960000000, 0.773644580000000, 0.655473440000000 ] mass: 30.973762 - symbol: P # 28 coordinates: [ 0.666666670000000, 0.333333330000000, 0.626604680000000 ] mass: 30.973762 - symbol: P # 29 coordinates: [ 0.316789040000000, 0.090433610000000, 0.844526560000000 ] mass: 30.973762 - symbol: P # 30 coordinates: [ 0.226355420000000, 0.909566390000000, 0.655473440000000 ] mass: 30.973762 - symbol: P # 31 coordinates: [ 0.773644580000000, 0.090433610000000, 0.344526560000000 ] mass: 30.973762 - symbol: P # 32 coordinates: [ 0.333333330000000, 0.666666670000000, 0.373395320000000 ] mass: 30.973762 - symbol: P # 33 coordinates: [ 0.909566390000000, 0.226355420000000, 0.844526560000000 ] mass: 30.973762 - symbol: P # 34 coordinates: [ 0.090433610000000, 0.316789040000000, 0.655473440000000 ] mass: 30.973762 - symbol: P # 35 coordinates: [ 0.333333330000000, 0.666666670000000, 0.873395320000000 ] mass: 30.973762 - symbol: P # 36 coordinates: [ 0.090433610000000, 0.773644580000000, 0.155473440000000 ] mass: 30.973762 - symbol: P # 37 coordinates: [ 0.683210960000000, 0.909566390000000, 0.155473440000000 ] mass: 30.973762 - symbol: P # 38 coordinates: [ 0.226355420000000, 0.316789040000000, 0.155473440000000 ] mass: 30.973762 - symbol: P # 39 coordinates: [ 0.909566390000000, 0.683210960000000, 0.344526560000000 ] mass: 30.973762 - symbol: P # 40 coordinates: [ 0.316789040000000, 0.226355420000000, 0.344526560000000 ] mass: 30.973762 - symbol: O # 41 coordinates: [ 0.000000000000000, 0.788742330000000, 0.250000000000000 ] mass: 15.999400 - symbol: O # 42 coordinates: [ 0.810854900000000, 0.319314070000000, 0.165449830000000 ] mass: 15.999400 - symbol: O # 43 coordinates: [ 0.508459160000000, 0.189145100000000, 0.165449830000000 ] mass: 15.999400 - symbol: O # 44 coordinates: [ 0.624797740000000, 0.107654130000000, 0.333700770000000 ] mass: 15.999400 - symbol: O # 45 coordinates: [ 0.508459160000000, 0.319314070000000, 0.665449830000000 ] mass: 15.999400 - symbol: O # 46 coordinates: [ 0.491540840000000, 0.810854900000000, 0.834550170000000 ] mass: 15.999400 - symbol: O # 47 coordinates: [ 0.224224380000000, 0.997017460000000, 0.934607360000000 ] mass: 15.999400 - symbol: O # 48 coordinates: [ 0.892345870000000, 0.517143610000000, 0.333700770000000 ] mass: 15.999400 - symbol: O # 49 coordinates: [ 0.788742330000000, 0.788742330000000, 0.750000000000000 ] mass: 15.999400 - symbol: O # 50 coordinates: [ 0.255447600000000, 0.331234280000000, 0.655208900000000 ] mass: 15.999400 - symbol: O # 51 coordinates: [ 0.107654130000000, 0.624797740000000, 0.166299230000000 ] mass: 15.999400 - symbol: O # 52 coordinates: [ 0.331234280000000, 0.255447600000000, 0.844791100000000 ] mass: 15.999400 - symbol: O # 53 coordinates: [ 0.680685930000000, 0.189145100000000, 0.665449830000000 ] mass: 15.999400 - symbol: O # 54 coordinates: [ 0.189145100000000, 0.680685930000000, 0.834550170000000 ] mass: 15.999400 - symbol: O # 55 coordinates: [ 0.189145100000000, 0.508459160000000, 0.334550170000000 ] mass: 15.999400 - symbol: O # 56 coordinates: [ 0.375202260000000, 0.892345870000000, 0.666299230000000 ] mass: 15.999400 - symbol: O # 57 coordinates: [ 0.924213280000000, 0.255447600000000, 0.344791100000000 ] mass: 15.999400 - symbol: O # 58 coordinates: [ 0.788742330000000, 0.000000000000000, 0.250000000000000 ] mass: 15.999400 - symbol: O # 59 coordinates: [ 0.227206910000000, 0.002982540000000, 0.565392640000000 ] mass: 15.999400 - symbol: O # 60 coordinates: [ 0.666666670000000, 0.333333330000000, 0.515204760000000 ] mass: 15.999400 - symbol: O # 61 coordinates: [ 0.107654130000000, 0.482856390000000, 0.666299230000000 ] mass: 15.999400 - symbol: O # 62 coordinates: [ 0.211257670000000, 0.000000000000000, 0.750000000000000 ] mass: 15.999400 - symbol: O # 63 coordinates: [ 0.680685930000000, 0.491540840000000, 0.165449830000000 ] mass: 15.999400 - symbol: O # 64 coordinates: [ 0.331234280000000, 0.075786720000000, 0.344791100000000 ] mass: 15.999400 - symbol: O # 65 coordinates: [ 0.517143610000000, 0.892345870000000, 0.166299230000000 ] mass: 15.999400 - symbol: O # 66 coordinates: [ 0.997017460000000, 0.224224380000000, 0.565392640000000 ] mass: 15.999400 - symbol: O # 67 coordinates: [ 0.000000000000000, 0.211257670000000, 0.750000000000000 ] mass: 15.999400 - symbol: O # 68 coordinates: [ 0.333333330000000, 0.666666670000000, 0.484795240000000 ] mass: 15.999400 - symbol: O # 69 coordinates: [ 0.227206910000000, 0.224224380000000, 0.065392640000000 ] mass: 15.999400 - symbol: O # 70 coordinates: [ 0.775775620000000, 0.002982540000000, 0.065392640000000 ] mass: 15.999400 - symbol: O # 71 coordinates: [ 0.491540840000000, 0.680685930000000, 0.334550170000000 ] mass: 15.999400 - symbol: O # 72 coordinates: [ 0.624797740000000, 0.517143610000000, 0.833700770000000 ] mass: 15.999400 - symbol: O # 73 coordinates: [ 0.772793090000000, 0.997017460000000, 0.434607360000000 ] mass: 15.999400 - symbol: O # 74 coordinates: [ 0.668765720000000, 0.744552400000000, 0.155208900000000 ] mass: 15.999400 - symbol: O # 75 coordinates: [ 0.997017460000000, 0.772793090000000, 0.065392640000000 ] mass: 15.999400 - symbol: O # 76 coordinates: [ 0.772793090000000, 0.775775620000000, 0.934607360000000 ] mass: 15.999400 - symbol: O # 77 coordinates: [ 0.482856390000000, 0.107654130000000, 0.833700770000000 ] mass: 15.999400 - symbol: O # 78 coordinates: [ 0.319314070000000, 0.508459160000000, 0.834550170000000 ] mass: 15.999400 - symbol: O # 79 coordinates: [ 0.517143610000000, 0.624797740000000, 0.666299230000000 ] mass: 15.999400 - symbol: O # 80 coordinates: [ 0.744552400000000, 0.668765720000000, 0.344791100000000 ] mass: 15.999400 - symbol: O # 81 coordinates: [ 0.668765720000000, 0.924213280000000, 0.655208900000000 ] mass: 15.999400 - symbol: O # 82 coordinates: [ 0.255447600000000, 0.924213280000000, 0.155208900000000 ] mass: 15.999400 - symbol: O # 83 coordinates: [ 0.002982540000000, 0.775775620000000, 0.434607360000000 ] mass: 15.999400 - symbol: O # 84 coordinates: [ 0.319314070000000, 0.810854900000000, 0.334550170000000 ] mass: 15.999400 - symbol: O # 85 coordinates: [ 0.810854900000000, 0.491540840000000, 0.665449830000000 ] mass: 15.999400 - symbol: O # 86 coordinates: [ 0.924213280000000, 0.668765720000000, 0.844791100000000 ] mass: 15.999400 - symbol: O # 87 coordinates: [ 0.375202260000000, 0.482856390000000, 0.166299230000000 ] mass: 15.999400 - symbol: O # 88 coordinates: [ 0.666666670000000, 0.333333330000000, 0.015204760000000 ] mass: 15.999400 - symbol: O # 89 coordinates: [ 0.075786720000000, 0.331234280000000, 0.155208900000000 ] mass: 15.999400 - symbol: O # 90 coordinates: [ 0.075786720000000, 0.744552400000000, 0.655208900000000 ] mass: 15.999400 - symbol: O # 91 coordinates: [ 0.482856390000000, 0.375202260000000, 0.333700770000000 ] mass: 15.999400 - symbol: O # 92 coordinates: [ 0.775775620000000, 0.772793090000000, 0.565392640000000 ] mass: 15.999400 - symbol: O # 93 coordinates: [ 0.333333330000000, 0.666666670000000, 0.984795240000000 ] mass: 15.999400 - symbol: O # 94 coordinates: [ 0.892345870000000, 0.375202260000000, 0.833700770000000 ] mass: 15.999400 - symbol: O # 95 coordinates: [ 0.224224380000000, 0.227206910000000, 0.434607360000000 ] mass: 15.999400 - symbol: O # 96 coordinates: [ 0.002982540000000, 0.227206910000000, 0.934607360000000 ] mass: 15.999400 - symbol: O # 97 coordinates: [ 0.744552400000000, 0.075786720000000, 0.844791100000000 ] mass: 15.999400 - symbol: O # 98 coordinates: [ 0.211257670000000, 0.211257670000000, 0.250000000000000 ] mass: 15.999400 reciprocal_lattice: # without 2pi - [ 0.103576827276803, 0.059800108969700, 0.000000000000000 ] # a* - [ 0.000000000000000, 0.119600218187156, 0.000000000000000 ] # b* - [ 0.000000000000000, 0.000000000000000, 0.073670437566595 ] # c*unit_cell: lattice: - [ 9.654669159999999, 0.000000000000000, 0.000000000000000 ] # a - [ -4.827334570000000, 8.361188759999999, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 13.573965800000000 ] # c points: - symbol: Li # 1 coordinates: [ 0.235623260000000, 0.898730490000000, 0.436865790000000 ] mass: 6.941000 reduced_to: 1 - symbol: Li # 2 coordinates: [ 0.898730490000000, 0.663107230000000, 0.563134210000000 ] mass: 6.941000 reduced_to: 2 - symbol: Li # 3 coordinates: [ 0.101269510000000, 0.764376740000000, 0.936865790000000 ] mass: 6.941000 reduced_to: 3 - symbol: Li # 4 coordinates: [ 0.764376740000000, 0.101269510000000, 0.563134210000000 ] mass: 6.941000 reduced_to: 4 - symbol: Li # 5 coordinates: [ 0.333333330000000, 0.666666670000000, 0.619034130000000 ] mass: 6.941000 reduced_to: 5 - symbol: Li # 6 coordinates: [ 0.764376740000000, 0.663107230000000, 0.063134210000000 ] mass: 6.941000 reduced_to: 6 - symbol: Li # 7 coordinates: [ 0.235623260000000, 0.336892770000000, 0.936865790000000 ] mass: 6.941000 reduced_to: 7 - symbol: Li # 8 coordinates: [ 0.336892770000000, 0.235623260000000, 0.563134210000000 ] mass: 6.941000 reduced_to: 8 - symbol: Li # 9 coordinates: [ 0.666666670000000, 0.333333330000000, 0.880965870000000 ] mass: 6.941000 reduced_to: 9 - symbol: Li # 10 coordinates: [ 0.336892770000000, 0.101269510000000, 0.063134210000000 ] mass: 6.941000 reduced_to: 10 - symbol: Li # 11 coordinates: [ 0.000000000000000, 0.000000000000000, 0.500000000000000 ] mass: 6.941000 reduced_to: 11 - symbol: Li # 12 coordinates: [ 0.898730490000000, 0.235623260000000, 0.063134210000000 ] mass: 6.941000 reduced_to: 12 - symbol: Li # 13 coordinates: [ 0.666666670000000, 0.333333330000000, 0.380965870000000 ] mass: 6.941000 reduced_to: 13 - symbol: Li # 14 coordinates: [ 0.663107230000000, 0.764376740000000, 0.436865790000000 ] mass: 6.941000 reduced_to: 14 - symbol: Li # 15 coordinates: [ 0.663107230000000, 0.898730490000000, 0.936865790000000 ] mass: 6.941000 reduced_to: 15 - symbol: Li # 16 coordinates: [ 0.101269510000000, 0.336892770000000, 0.436865790000000 ] mass: 6.941000 reduced_to: 16 - symbol: Li # 17 coordinates: [ 0.333333330000000, 0.666666670000000, 0.119034130000000 ] mass: 6.941000 reduced_to: 17 - symbol: Li # 18 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 6.941000 reduced_to: 18 - symbol: Ga # 19 coordinates: [ 0.000000000000000, 0.566285920000000, 0.750000000000000 ] mass: 69.723000 reduced_to: 19 - symbol: Ga # 20 coordinates: [ 0.433714080000000, 0.433714080000000, 0.750000000000000 ] mass: 69.723000 reduced_to: 20 - symbol: Ga # 21 coordinates: [ 0.566285920000000, 0.000000000000000, 0.750000000000000 ] mass: 69.723000 reduced_to: 21 - symbol: Ga # 22 coordinates: [ 0.433714080000000, 0.000000000000000, 0.250000000000000 ] mass: 69.723000 reduced_to: 22 - symbol: Ga # 23 coordinates: [ 0.000000000000000, 0.433714080000000, 0.250000000000000 ] mass: 69.723000 reduced_to: 23 - symbol: Ga # 24 coordinates: [ 0.566285920000000, 0.566285920000000, 0.250000000000000 ] mass: 69.723000 reduced_to: 24 - symbol: P # 25 coordinates: [ 0.666666670000000, 0.333333330000000, 0.126604680000000 ] mass: 30.973762 reduced_to: 25 - symbol: P # 26 coordinates: [ 0.773644580000000, 0.683210960000000, 0.844526560000000 ] mass: 30.973762 reduced_to: 26 - symbol: P # 27 coordinates: [ 0.683210960000000, 0.773644580000000, 0.655473440000000 ] mass: 30.973762 reduced_to: 27 - symbol: P # 28 coordinates: [ 0.666666670000000, 0.333333330000000, 0.626604680000000 ] mass: 30.973762 reduced_to: 28 - symbol: P # 29 coordinates: [ 0.316789040000000, 0.090433610000000, 0.844526560000000 ] mass: 30.973762 reduced_to: 29 - symbol: P # 30 coordinates: [ 0.226355420000000, 0.909566390000000, 0.655473440000000 ] mass: 30.973762 reduced_to: 30 - symbol: P # 31 coordinates: [ 0.773644580000000, 0.090433610000000, 0.344526560000000 ] mass: 30.973762 reduced_to: 31 - symbol: P # 32 coordinates: [ 0.333333330000000, 0.666666670000000, 0.373395320000000 ] mass: 30.973762 reduced_to: 32 - symbol: P # 33 coordinates: [ 0.909566390000000, 0.226355420000000, 0.844526560000000 ] mass: 30.973762 reduced_to: 33 - symbol: P # 34 coordinates: [ 0.090433610000000, 0.316789040000000, 0.655473440000000 ] mass: 30.973762 reduced_to: 34 - symbol: P # 35 coordinates: [ 0.333333330000000, 0.666666670000000, 0.873395320000000 ] mass: 30.973762 reduced_to: 35 - symbol: P # 36 coordinates: [ 0.090433610000000, 0.773644580000000, 0.155473440000000 ] mass: 30.973762 reduced_to: 36 - symbol: P # 37 coordinates: [ 0.683210960000000, 0.909566390000000, 0.155473440000000 ] mass: 30.973762 reduced_to: 37 - symbol: P # 38 coordinates: [ 0.226355420000000, 0.316789040000000, 0.155473440000000 ] mass: 30.973762 reduced_to: 38 - symbol: P # 39 coordinates: [ 0.909566390000000, 0.683210960000000, 0.344526560000000 ] mass: 30.973762 reduced_to: 39 - symbol: P # 40 coordinates: [ 0.316789040000000, 0.226355420000000, 0.344526560000000 ] mass: 30.973762 reduced_to: 40 - symbol: O # 41 coordinates: [ 0.000000000000000, 0.788742330000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 42 coordinates: [ 0.810854900000000, 0.319314070000000, 0.165449830000000 ] mass: 15.999400 reduced_to: 42 - symbol: O # 43 coordinates: [ 0.508459160000000, 0.189145100000000, 0.165449830000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 44 coordinates: [ 0.624797740000000, 0.107654130000000, 0.333700770000000 ] mass: 15.999400 reduced_to: 44 - symbol: O # 45 coordinates: [ 0.508459160000000, 0.319314070000000, 0.665449830000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 46 coordinates: [ 0.491540840000000, 0.810854900000000, 0.834550170000000 ] mass: 15.999400 reduced_to: 46 - symbol: O # 47 coordinates: [ 0.224224380000000, 0.997017460000000, 0.934607360000000 ] mass: 15.999400 reduced_to: 47 - symbol: O # 48 coordinates: [ 0.892345870000000, 0.517143610000000, 0.333700770000000 ] mass: 15.999400 reduced_to: 48 - symbol: O # 49 coordinates: [ 0.788742330000000, 0.788742330000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 50 coordinates: [ 0.255447600000000, 0.331234280000000, 0.655208900000000 ] mass: 15.999400 reduced_to: 50 - symbol: O # 51 coordinates: [ 0.107654130000000, 0.624797740000000, 0.166299230000000 ] mass: 15.999400 reduced_to: 51 - symbol: O # 52 coordinates: [ 0.331234280000000, 0.255447600000000, 0.844791100000000 ] mass: 15.999400 reduced_to: 52 - symbol: O # 53 coordinates: [ 0.680685930000000, 0.189145100000000, 0.665449830000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 54 coordinates: [ 0.189145100000000, 0.680685930000000, 0.834550170000000 ] mass: 15.999400 reduced_to: 54 - symbol: O # 55 coordinates: [ 0.189145100000000, 0.508459160000000, 0.334550170000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 56 coordinates: [ 0.375202260000000, 0.892345870000000, 0.666299230000000 ] mass: 15.999400 reduced_to: 56 - symbol: O # 57 coordinates: [ 0.924213280000000, 0.255447600000000, 0.344791100000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 58 coordinates: [ 0.788742330000000, 0.000000000000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 58 - symbol: O # 59 coordinates: [ 0.227206910000000, 0.002982540000000, 0.565392640000000 ] mass: 15.999400 reduced_to: 59 - symbol: O # 60 coordinates: [ 0.666666670000000, 0.333333330000000, 0.515204760000000 ] mass: 15.999400 reduced_to: 60 - symbol: O # 61 coordinates: [ 0.107654130000000, 0.482856390000000, 0.666299230000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 62 coordinates: [ 0.211257670000000, 0.000000000000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 62 - symbol: O # 63 coordinates: [ 0.680685930000000, 0.491540840000000, 0.165449830000000 ] mass: 15.999400 reduced_to: 63 - symbol: O # 64 coordinates: [ 0.331234280000000, 0.075786720000000, 0.344791100000000 ] mass: 15.999400 reduced_to: 64 - symbol: O # 65 coordinates: [ 0.517143610000000, 0.892345870000000, 0.166299230000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 66 coordinates: [ 0.997017460000000, 0.224224380000000, 0.565392640000000 ] mass: 15.999400 reduced_to: 66 - symbol: O # 67 coordinates: [ 0.000000000000000, 0.211257670000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 67 - symbol: O # 68 coordinates: [ 0.333333330000000, 0.666666670000000, 0.484795240000000 ] mass: 15.999400 reduced_to: 68 - symbol: O # 69 coordinates: [ 0.227206910000000, 0.224224380000000, 0.065392640000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 70 coordinates: [ 0.775775620000000, 0.002982540000000, 0.065392640000000 ] mass: 15.999400 reduced_to: 70 - symbol: O # 71 coordinates: [ 0.491540840000000, 0.680685930000000, 0.334550170000000 ] mass: 15.999400 reduced_to: 71 - symbol: O # 72 coordinates: [ 0.624797740000000, 0.517143610000000, 0.833700770000000 ] mass: 15.999400 reduced_to: 72 - symbol: O # 73 coordinates: [ 0.772793090000000, 0.997017460000000, 0.434607360000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 74 coordinates: [ 0.668765720000000, 0.744552400000000, 0.155208900000000 ] mass: 15.999400 reduced_to: 74 - symbol: O # 75 coordinates: [ 0.997017460000000, 0.772793090000000, 0.065392640000000 ] mass: 15.999400 reduced_to: 75 - symbol: O # 76 coordinates: [ 0.772793090000000, 0.775775620000000, 0.934607360000000 ] mass: 15.999400 reduced_to: 76 - symbol: O # 77 coordinates: [ 0.482856390000000, 0.107654130000000, 0.833700770000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 78 coordinates: [ 0.319314070000000, 0.508459160000000, 0.834550170000000 ] mass: 15.999400 reduced_to: 78 - symbol: O # 79 coordinates: [ 0.517143610000000, 0.624797740000000, 0.666299230000000 ] mass: 15.999400 reduced_to: 79 - symbol: O # 80 coordinates: [ 0.744552400000000, 0.668765720000000, 0.344791100000000 ] mass: 15.999400 reduced_to: 80 - symbol: O # 81 coordinates: [ 0.668765720000000, 0.924213280000000, 0.655208900000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 82 coordinates: [ 0.255447600000000, 0.924213280000000, 0.155208900000000 ] mass: 15.999400 reduced_to: 82 - symbol: O # 83 coordinates: [ 0.002982540000000, 0.775775620000000, 0.434607360000000 ] mass: 15.999400 reduced_to: 83 - symbol: O # 84 coordinates: [ 0.319314070000000, 0.810854900000000, 0.334550170000000 ] mass: 15.999400 reduced_to: 84 - symbol: O # 85 coordinates: [ 0.810854900000000, 0.491540840000000, 0.665449830000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 86 coordinates: [ 0.924213280000000, 0.668765720000000, 0.844791100000000 ] mass: 15.999400 reduced_to: 86 - symbol: O # 87 coordinates: [ 0.375202260000000, 0.482856390000000, 0.166299230000000 ] mass: 15.999400 reduced_to: 87 - symbol: O # 88 coordinates: [ 0.666666670000000, 0.333333330000000, 0.015204760000000 ] mass: 15.999400 reduced_to: 88 - symbol: O # 89 coordinates: [ 0.075786720000000, 0.331234280000000, 0.155208900000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 90 coordinates: [ 0.075786720000000, 0.744552400000000, 0.655208900000000 ] mass: 15.999400 reduced_to: 90 - symbol: O # 91 coordinates: [ 0.482856390000000, 0.375202260000000, 0.333700770000000 ] mass: 15.999400 reduced_to: 91 - symbol: O # 92 coordinates: [ 0.775775620000000, 0.772793090000000, 0.565392640000000 ] mass: 15.999400 reduced_to: 92 - symbol: O # 93 coordinates: [ 0.333333330000000, 0.666666670000000, 0.984795240000000 ] mass: 15.999400 reduced_to: 93 - symbol: O # 94 coordinates: [ 0.892345870000000, 0.375202260000000, 0.833700770000000 ] mass: 15.999400 reduced_to: 94 - symbol: O # 95 coordinates: [ 0.224224380000000, 0.227206910000000, 0.434607360000000 ] mass: 15.999400 reduced_to: 95 - symbol: O # 96 coordinates: [ 0.002982540000000, 0.227206910000000, 0.934607360000000 ] mass: 15.999400 reduced_to: 96 - symbol: O # 97 coordinates: [ 0.744552400000000, 0.075786720000000, 0.844791100000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 98 coordinates: [ 0.211257670000000, 0.211257670000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 98supercell: lattice: - [ 9.654669159999999, 0.000000000000000, 0.000000000000000 ] # a - [ -4.827334570000000, 8.361188759999999, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 13.573965800000000 ] # c points: - symbol: Li # 1 coordinates: [ 0.235623260000000, 0.898730490000000, 0.436865790000000 ] mass: 6.941000 reduced_to: 1 - symbol: Li # 2 coordinates: [ 0.898730490000000, 0.663107230000000, 0.563134210000000 ] mass: 6.941000 reduced_to: 2 - symbol: Li # 3 coordinates: [ 0.101269510000000, 0.764376740000000, 0.936865790000000 ] mass: 6.941000 reduced_to: 3 - symbol: Li # 4 coordinates: [ 0.764376740000000, 0.101269510000000, 0.563134210000000 ] mass: 6.941000 reduced_to: 4 - symbol: Li # 5 coordinates: [ 0.333333330000000, 0.666666670000000, 0.619034130000000 ] mass: 6.941000 reduced_to: 5 - symbol: Li # 6 coordinates: [ 0.764376740000000, 0.663107230000000, 0.063134210000000 ] mass: 6.941000 reduced_to: 6 - symbol: Li # 7 coordinates: [ 0.235623260000000, 0.336892770000000, 0.936865790000000 ] mass: 6.941000 reduced_to: 7 - symbol: Li # 8 coordinates: [ 0.336892770000000, 0.235623260000000, 0.563134210000000 ] mass: 6.941000 reduced_to: 8 - symbol: Li # 9 coordinates: [ 0.666666670000000, 0.333333330000000, 0.880965870000000 ] mass: 6.941000 reduced_to: 9 - symbol: Li # 10 coordinates: [ 0.336892770000000, 0.101269510000000, 0.063134210000000 ] mass: 6.941000 reduced_to: 10 - symbol: Li # 11 coordinates: [ 0.000000000000000, 0.000000000000000, 0.500000000000000 ] mass: 6.941000 reduced_to: 11 - symbol: Li # 12 coordinates: [ 0.898730490000000, 0.235623260000000, 0.063134210000000 ] mass: 6.941000 reduced_to: 12 - symbol: Li # 13 coordinates: [ 0.666666670000000, 0.333333330000000, 0.380965870000000 ] mass: 6.941000 reduced_to: 13 - symbol: Li # 14 coordinates: [ 0.663107230000000, 0.764376740000000, 0.436865790000000 ] mass: 6.941000 reduced_to: 14 - symbol: Li # 15 coordinates: [ 0.663107230000000, 0.898730490000000, 0.936865790000000 ] mass: 6.941000 reduced_to: 15 - symbol: Li # 16 coordinates: [ 0.101269510000000, 0.336892770000000, 0.436865790000000 ] mass: 6.941000 reduced_to: 16 - symbol: Li # 17 coordinates: [ 0.333333330000000, 0.666666670000000, 0.119034130000000 ] mass: 6.941000 reduced_to: 17 - symbol: Li # 18 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 6.941000 reduced_to: 18 - symbol: Ga # 19 coordinates: [ 0.000000000000000, 0.566285920000000, 0.750000000000000 ] mass: 69.723000 reduced_to: 19 - symbol: Ga # 20 coordinates: [ 0.433714080000000, 0.433714080000000, 0.750000000000000 ] mass: 69.723000 reduced_to: 20 - symbol: Ga # 21 coordinates: [ 0.566285920000000, 0.000000000000000, 0.750000000000000 ] mass: 69.723000 reduced_to: 21 - symbol: Ga # 22 coordinates: [ 0.433714080000000, 0.000000000000000, 0.250000000000000 ] mass: 69.723000 reduced_to: 22 - symbol: Ga # 23 coordinates: [ 0.000000000000000, 0.433714080000000, 0.250000000000000 ] mass: 69.723000 reduced_to: 23 - symbol: Ga # 24 coordinates: [ 0.566285920000000, 0.566285920000000, 0.250000000000000 ] mass: 69.723000 reduced_to: 24 - symbol: P # 25 coordinates: [ 0.666666670000000, 0.333333330000000, 0.126604680000000 ] mass: 30.973762 reduced_to: 25 - symbol: P # 26 coordinates: [ 0.773644580000000, 0.683210960000000, 0.844526560000000 ] mass: 30.973762 reduced_to: 26 - symbol: P # 27 coordinates: [ 0.683210960000000, 0.773644580000000, 0.655473440000000 ] mass: 30.973762 reduced_to: 27 - symbol: P # 28 coordinates: [ 0.666666670000000, 0.333333330000000, 0.626604680000000 ] mass: 30.973762 reduced_to: 28 - symbol: P # 29 coordinates: [ 0.316789040000000, 0.090433610000000, 0.844526560000000 ] mass: 30.973762 reduced_to: 29 - symbol: P # 30 coordinates: [ 0.226355420000000, 0.909566390000000, 0.655473440000000 ] mass: 30.973762 reduced_to: 30 - symbol: P # 31 coordinates: [ 0.773644580000000, 0.090433610000000, 0.344526560000000 ] mass: 30.973762 reduced_to: 31 - symbol: P # 32 coordinates: [ 0.333333330000000, 0.666666670000000, 0.373395320000000 ] mass: 30.973762 reduced_to: 32 - symbol: P # 33 coordinates: [ 0.909566390000000, 0.226355420000000, 0.844526560000000 ] mass: 30.973762 reduced_to: 33 - symbol: P # 34 coordinates: [ 0.090433610000000, 0.316789040000000, 0.655473440000000 ] mass: 30.973762 reduced_to: 34 - symbol: P # 35 coordinates: [ 0.333333330000000, 0.666666670000000, 0.873395320000000 ] mass: 30.973762 reduced_to: 35 - symbol: P # 36 coordinates: [ 0.090433610000000, 0.773644580000000, 0.155473440000000 ] mass: 30.973762 reduced_to: 36 - symbol: P # 37 coordinates: [ 0.683210960000000, 0.909566390000000, 0.155473440000000 ] mass: 30.973762 reduced_to: 37 - symbol: P # 38 coordinates: [ 0.226355420000000, 0.316789040000000, 0.155473440000000 ] mass: 30.973762 reduced_to: 38 - symbol: P # 39 coordinates: [ 0.909566390000000, 0.683210960000000, 0.344526560000000 ] mass: 30.973762 reduced_to: 39 - symbol: P # 40 coordinates: [ 0.316789040000000, 0.226355420000000, 0.344526560000000 ] mass: 30.973762 reduced_to: 40 - symbol: O # 41 coordinates: [ 0.000000000000000, 0.788742330000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 42 coordinates: [ 0.810854900000000, 0.319314070000000, 0.165449830000000 ] mass: 15.999400 reduced_to: 42 - symbol: O # 43 coordinates: [ 0.508459160000000, 0.189145100000000, 0.165449830000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 44 coordinates: [ 0.624797740000000, 0.107654130000000, 0.333700770000000 ] mass: 15.999400 reduced_to: 44 - symbol: O # 45 coordinates: [ 0.508459160000000, 0.319314070000000, 0.665449830000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 46 coordinates: [ 0.491540840000000, 0.810854900000000, 0.834550170000000 ] mass: 15.999400 reduced_to: 46 - symbol: O # 47 coordinates: [ 0.224224380000000, 0.997017460000000, 0.934607360000000 ] mass: 15.999400 reduced_to: 47 - symbol: O # 48 coordinates: [ 0.892345870000000, 0.517143610000000, 0.333700770000000 ] mass: 15.999400 reduced_to: 48 - symbol: O # 49 coordinates: [ 0.788742330000000, 0.788742330000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 50 coordinates: [ 0.255447600000000, 0.331234280000000, 0.655208900000000 ] mass: 15.999400 reduced_to: 50 - symbol: O # 51 coordinates: [ 0.107654130000000, 0.624797740000000, 0.166299230000000 ] mass: 15.999400 reduced_to: 51 - symbol: O # 52 coordinates: [ 0.331234280000000, 0.255447600000000, 0.844791100000000 ] mass: 15.999400 reduced_to: 52 - symbol: O # 53 coordinates: [ 0.680685930000000, 0.189145100000000, 0.665449830000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 54 coordinates: [ 0.189145100000000, 0.680685930000000, 0.834550170000000 ] mass: 15.999400 reduced_to: 54 - symbol: O # 55 coordinates: [ 0.189145100000000, 0.508459160000000, 0.334550170000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 56 coordinates: [ 0.375202260000000, 0.892345870000000, 0.666299230000000 ] mass: 15.999400 reduced_to: 56 - symbol: O # 57 coordinates: [ 0.924213280000000, 0.255447600000000, 0.344791100000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 58 coordinates: [ 0.788742330000000, 0.000000000000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 58 - symbol: O # 59 coordinates: [ 0.227206910000000, 0.002982540000000, 0.565392640000000 ] mass: 15.999400 reduced_to: 59 - symbol: O # 60 coordinates: [ 0.666666670000000, 0.333333330000000, 0.515204760000000 ] mass: 15.999400 reduced_to: 60 - symbol: O # 61 coordinates: [ 0.107654130000000, 0.482856390000000, 0.666299230000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 62 coordinates: [ 0.211257670000000, 0.000000000000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 62 - symbol: O # 63 coordinates: [ 0.680685930000000, 0.491540840000000, 0.165449830000000 ] mass: 15.999400 reduced_to: 63 - symbol: O # 64 coordinates: [ 0.331234280000000, 0.075786720000000, 0.344791100000000 ] mass: 15.999400 reduced_to: 64 - symbol: O # 65 coordinates: [ 0.517143610000000, 0.892345870000000, 0.166299230000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 66 coordinates: [ 0.997017460000000, 0.224224380000000, 0.565392640000000 ] mass: 15.999400 reduced_to: 66 - symbol: O # 67 coordinates: [ 0.000000000000000, 0.211257670000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 67 - symbol: O # 68 coordinates: [ 0.333333330000000, 0.666666670000000, 0.484795240000000 ] mass: 15.999400 reduced_to: 68 - symbol: O # 69 coordinates: [ 0.227206910000000, 0.224224380000000, 0.065392640000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 70 coordinates: [ 0.775775620000000, 0.002982540000000, 0.065392640000000 ] mass: 15.999400 reduced_to: 70 - symbol: O # 71 coordinates: [ 0.491540840000000, 0.680685930000000, 0.334550170000000 ] mass: 15.999400 reduced_to: 71 - symbol: O # 72 coordinates: [ 0.624797740000000, 0.517143610000000, 0.833700770000000 ] mass: 15.999400 reduced_to: 72 - symbol: O # 73 coordinates: [ 0.772793090000000, 0.997017460000000, 0.434607360000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 74 coordinates: [ 0.668765720000000, 0.744552400000000, 0.155208900000000 ] mass: 15.999400 reduced_to: 74 - symbol: O # 75 coordinates: [ 0.997017460000000, 0.772793090000000, 0.065392640000000 ] mass: 15.999400 reduced_to: 75 - symbol: O # 76 coordinates: [ 0.772793090000000, 0.775775620000000, 0.934607360000000 ] mass: 15.999400 reduced_to: 76 - symbol: O # 77 coordinates: [ 0.482856390000000, 0.107654130000000, 0.833700770000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 78 coordinates: [ 0.319314070000000, 0.508459160000000, 0.834550170000000 ] mass: 15.999400 reduced_to: 78 - symbol: O # 79 coordinates: [ 0.517143610000000, 0.624797740000000, 0.666299230000000 ] mass: 15.999400 reduced_to: 79 - symbol: O # 80 coordinates: [ 0.744552400000000, 0.668765720000000, 0.344791100000000 ] mass: 15.999400 reduced_to: 80 - symbol: O # 81 coordinates: [ 0.668765720000000, 0.924213280000000, 0.655208900000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 82 coordinates: [ 0.255447600000000, 0.924213280000000, 0.155208900000000 ] mass: 15.999400 reduced_to: 82 - symbol: O # 83 coordinates: [ 0.002982540000000, 0.775775620000000, 0.434607360000000 ] mass: 15.999400 reduced_to: 83 - symbol: O # 84 coordinates: [ 0.319314070000000, 0.810854900000000, 0.334550170000000 ] mass: 15.999400 reduced_to: 84 - symbol: O # 85 coordinates: [ 0.810854900000000, 0.491540840000000, 0.665449830000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 86 coordinates: [ 0.924213280000000, 0.668765720000000, 0.844791100000000 ] mass: 15.999400 reduced_to: 86 - symbol: O # 87 coordinates: [ 0.375202260000000, 0.482856390000000, 0.166299230000000 ] mass: 15.999400 reduced_to: 87 - symbol: O # 88 coordinates: [ 0.666666670000000, 0.333333330000000, 0.015204760000000 ] mass: 15.999400 reduced_to: 88 - symbol: O # 89 coordinates: [ 0.075786720000000, 0.331234280000000, 0.155208900000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 90 coordinates: [ 0.075786720000000, 0.744552400000000, 0.655208900000000 ] mass: 15.999400 reduced_to: 90 - symbol: O # 91 coordinates: [ 0.482856390000000, 0.375202260000000, 0.333700770000000 ] mass: 15.999400 reduced_to: 91 - symbol: O # 92 coordinates: [ 0.775775620000000, 0.772793090000000, 0.565392640000000 ] mass: 15.999400 reduced_to: 92 - symbol: O # 93 coordinates: [ 0.333333330000000, 0.666666670000000, 0.984795240000000 ] mass: 15.999400 reduced_to: 93 - symbol: O # 94 coordinates: [ 0.892345870000000, 0.375202260000000, 0.833700770000000 ] mass: 15.999400 reduced_to: 94 - symbol: O # 95 coordinates: [ 0.224224380000000, 0.227206910000000, 0.434607360000000 ] mass: 15.999400 reduced_to: 95 - symbol: O # 96 coordinates: [ 0.002982540000000, 0.227206910000000, 0.934607360000000 ] mass: 15.999400 reduced_to: 96 - symbol: O # 97 coordinates: [ 0.744552400000000, 0.075786720000000, 0.844791100000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 98 coordinates: [ 0.211257670000000, 0.211257670000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 98displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0377818800000000, -0.0047143700000000, 0.0105175900000000 ] - [ 0.0009682200000000, 0.0017075000000000, -0.0023450100000000 ] - [ -0.0002326700000000, 0.0000516100000000, 0.0000132000000000 ] - [ 0.0007608700000000, 0.0002085500000000, 0.0003710300000000 ] - [ 0.0001418800000000, -0.0005562000000000, 0.0018529600000000 ] - [ 0.0001533600000000, 0.0001164900000000, 0.0000761300000000 ] - [ 0.0000845700000000, -0.0001365000000000, -0.0000692300000000 ] - [ -0.0005809800000000, -0.0008160200000000, -0.0001838100000000 ] - [ -0.0000174800000000, 0.0000388200000000, 0.0000205800000000 ] - [ -0.0001262800000000, -0.0001183000000000, -0.0000958000000000 ] - [ 0.0046652500000000, -0.0023147800000000, -0.0021800100000000 ] - [ 0.0000666000000000, 0.0000413700000000, -0.0000592300000000 ] - [ 0.0001816200000000, 0.0013288600000000, -0.0001489500000000 ] - [ 0.0021844700000000, -0.0000602700000000, -0.0000409300000000 ] - [ 0.0001278400000000, 0.0000658200000000, -0.0001024000000000 ] - [ 0.0001080300000000, -0.0011449700000000, 0.0001764300000000 ] - [ -0.0000773100000000, -0.0002323400000000, -0.0006302100000000 ] - [ 0.0001179900000000, -0.0001117500000000, -0.0000271500000000 ] - [ -0.0004715000000000, 0.0008433700000000, -0.0004576800000000 ] - [ 0.0000339200000000, -0.0003781800000000, 0.0000902300000000 ] - [ 0.0004045700000000, 0.0002161000000000, 0.0005853300000000 ] - [ -0.0009128200000000, 0.0049215300000000, -0.0074890300000000 ] - [ -0.0028595800000000, 0.0002580400000000, -0.0000631800000000 ] - [ 0.0031204000000000, 0.0000201000000000, 0.0003208500000000 ] - [ 0.0001201200000000, 0.0009550700000000, 0.0001384200000000 ] - [ 0.0001229300000000, 0.0001404600000000, -0.0003248000000000 ] - [ 0.0019961900000000, -0.0002330400000000, -0.0007858100000000 ] - [ -0.0001964900000000, 0.0010484400000000, 0.0007532400000000 ] - [ -0.0005452000000000, -0.0006024900000000, -0.0008371700000000 ] - [ -0.0053577600000000, 0.0019406300000000, -0.0025032900000000 ] - [ 0.0036995800000000, 0.0000635200000000, -0.0000070300000000 ] - [ 0.0078514300000000, -0.0117854100000000, -0.0055330400000000 ] - [ 0.0000923500000000, 0.0001615300000000, -0.0002448700000000 ] - [ 0.0000692800000000, -0.0006385600000000, 0.0001247700000000 ] - [ -0.0002056900000000, -0.0000944500000000, -0.0003002900000000 ] - [ -0.0043637700000000, -0.0002587100000000, 0.0032399800000000 ] - [ 0.0017267800000000, -0.0001054800000000, -0.0004009100000000 ] - [ 0.0005171300000000, -0.0008310800000000, 0.0001555000000000 ] - [ 0.0066380000000000, 0.0098034200000000, 0.0126281000000000 ] - [ -0.0025634200000000, -0.0018552000000000, 0.0030945200000000 ] - [ 0.0014786500000000, -0.0002593500000000, -0.0051676600000000 ] - [ -0.0000497700000000, -0.0005992700000000, -0.0000080400000000 ] - [ 0.0000049400000000, -0.0003807500000000, 0.0004180600000000 ] - [ -0.0018559400000000, -0.0011160600000000, 0.0008650300000000 ] - [ 0.0002297900000000, -0.0000083900000000, 0.0001482800000000 ] - [ 0.0000701400000000, -0.0000345500000000, -0.0002308000000000 ] - [ 0.0000765200000000, -0.0000571100000000, 0.0003530600000000 ] - [ 0.0013868400000000, -0.0042057000000000, -0.0026841900000000 ] - [ -0.0002382600000000, -0.0000292400000000, 0.0002080100000000 ] - [ -0.0001395900000000, 0.0001805200000000, -0.0000127300000000 ] - [ 0.0014764200000000, -0.0000388000000000, -0.0001818000000000 ] - [ -0.0000996900000000, 0.0000997600000000, 0.0000991100000000 ] - [ 0.0001318100000000, -0.0003644800000000, -0.0000079700000000 ] - [ 0.0003620000000000, 0.0001067800000000, -0.0000553300000000 ] - [ 0.0013705100000000, 0.0037125500000000, 0.0012091200000000 ] - [ 0.0020288300000000, -0.0008959400000000, -0.0010292400000000 ] - [ -0.0003106000000000, -0.0005467600000000, -0.0000300600000000 ] - [ -0.0007829500000000, 0.0002590900000000, 0.0002920900000000 ] - [ 0.0058271900000000, -0.0007453100000000, -0.0000370100000000 ] - [ -0.0001350700000000, -0.0011001300000000, -0.0001661800000000 ] - [ 0.0004145500000000, 0.0000659700000000, -0.0004905800000000 ] - [ 0.0003239600000000, 0.0001865400000000, 0.0016872300000000 ] - [ 0.0000457000000000, -0.0005408700000000, -0.0002664400000000 ] - [ 0.0046140900000000, -0.0008598600000000, -0.0008953900000000 ] - [ -0.0010911100000000, -0.0001672100000000, 0.0008839300000000 ] - [ -0.0003779800000000, 0.0003048400000000, 0.0000107300000000 ] - [ -0.0000494300000000, 0.0000544000000000, 0.0000289500000000 ] - [ -0.0030293300000000, 0.0050132000000000, -0.0002336700000000 ] - [ 0.0000283200000000, 0.0001529800000000, 0.0000142300000000 ] - [ -0.0003920300000000, 0.0000501600000000, 0.0002321900000000 ] - [ -0.0042784300000000, 0.0012437300000000, 0.0015806400000000 ] - [ 0.0000249600000000, 0.0000787800000000, 0.0002204900000000 ] - [ -0.0017339100000000, 0.0000611900000000, -0.0001638600000000 ] - [ -0.0006971400000000, 0.0004821000000000, -0.0000521800000000 ] - [ 0.0003476000000000, 0.0000336200000000, -0.0009068600000000 ] - [ -0.0002259900000000, 0.0001200900000000, 0.0001659400000000 ] - [ 0.0001423900000000, 0.0000119500000000, 0.0001661300000000 ] - [ -0.0001340800000000, 0.0000627700000000, -0.0001510800000000 ] - [ -0.0006983400000000, 0.0000036600000000, -0.0002961000000000 ] - [ -0.0049577800000000, -0.0018260100000000, -0.0028281900000000 ] - [ -0.0006924700000000, 0.0004579100000000, -0.0000604600000000 ] - [ 0.0014717800000000, 0.0005272000000000, 0.0004387200000000 ] - [ 0.0138205200000000, 0.0046765300000000, -0.0016840800000000 ] - [ 0.0067429100000000, -0.0015143300000000, -0.0031427600000000 ] - [ -0.0002642200000000, -0.0006822900000000, 0.0002201000000000 ] - [ -0.0001383900000000, 0.0000789700000000, 0.0001430400000000 ] - [ -0.0002269900000000, 0.0003684600000000, 0.0000571900000000 ] - [ 0.0000005600000000, -0.0001675100000000, 0.0001073200000000 ] - [ -0.0000484000000000, 0.0000675300000000, 0.0003123300000000 ] - [ 0.0007909800000000, -0.0006853400000000, 0.0014241400000000 ] - [ -0.0000358500000000, -0.0001619000000000, -0.0000962000000000 ] - [ -0.0016099400000000, -0.0001460000000000, 0.0010235700000000 ] - [ 0.0000903900000000, 0.0000464300000000, 0.0000916300000000 ] - [ 0.0001122500000000, -0.0002627500000000, 0.0002464600000000 ] - [ 0.0005310400000000, 0.0021290700000000, -0.0011486000000000 ] - [ 0.0001230200000000, 0.0000368900000000, 0.0001501900000000 ] - [ 0.0000963700000000, -0.0001026700000000, 0.0000225200000000 ] - [ 0.0004680700000000, -0.0001181900000000, -0.0001220000000000 ]- atom: 1 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0381586200000000, 0.0057839300000000, -0.0101329100000000 ] - [ -0.0008665500000000, -0.0014852400000000, 0.0023568800000000 ] - [ -0.0000121700000000, -0.0000069200000000, -0.0000119000000000 ] - [ -0.0005894900000000, -0.0003947800000000, -0.0003612900000000 ] - [ -0.0001345500000000, 0.0005616300000000, -0.0019208000000000 ] - [ -0.0002425900000000, 0.0000990600000000, -0.0000818500000000 ] - [ 0.0000117900000000, -0.0000767700000000, 0.0000761000000000 ] - [ 0.0003546400000000, 0.0007779100000000, 0.0001742600000000 ] - [ 0.0000217000000000, -0.0000259100000000, 0.0000558900000000 ] - [ -0.0000194900000000, -0.0000751300000000, 0.0000991200000000 ] - [ -0.0047130500000000, 0.0023410600000000, 0.0022172000000000 ] - [ 0.0001833400000000, -0.0000890300000000, 0.0000632300000000 ] - [ -0.0001957400000000, -0.0013326300000000, 0.0002270700000000 ] - [ -0.0019433300000000, 0.0000795700000000, 0.0000479400000000 ] - [ 0.0000174600000000, 0.0001327700000000, 0.0001022400000000 ] - [ -0.0001977700000000, 0.0009211100000000, -0.0001828900000000 ] - [ 0.0000782900000000, 0.0002213900000000, 0.0005510700000000 ] - [ -0.0001148000000000, 0.0001131900000000, 0.0000253000000000 ] - [ 0.0002976300000000, -0.0005248700000000, 0.0004542100000000 ] - [ -0.0002086400000000, 0.0000651700000000, -0.0000875300000000 ] - [ -0.0000521500000000, -0.0002134200000000, -0.0005813400000000 ] - [ 0.0005083900000000, -0.0049162500000000, 0.0074734300000000 ] - [ 0.0030410700000000, -0.0005617800000000, 0.0000534700000000 ] - [ -0.0029363600000000, 0.0002831100000000, -0.0003198100000000 ] - [ -0.0001329000000000, -0.0009523700000000, 0.0001900700000000 ] - [ -0.0003250500000000, -0.0000788500000000, 0.0000215100000000 ] - [ -0.0018312700000000, 0.0000791600000000, 0.0011041000000000 ] - [ 0.0001887200000000, -0.0010352100000000, -0.0004122900000000 ] - [ 0.0005841100000000, 0.0004182300000000, 0.0005159100000000 ] - [ 0.0053790200000000, -0.0017393000000000, 0.0027259300000000 ] - [ -0.0037331900000000, -0.0002423400000000, -0.0003145100000000 ] - [ -0.0078393800000000, 0.0117429700000000, 0.0050956600000000 ] - [ 0.0000437100000000, -0.0000152600000000, -0.0000643400000000 ] - [ -0.0002382400000000, 0.0005907100000000, 0.0001943600000000 ] - [ 0.0002101000000000, 0.0000928400000000, -0.0000339400000000 ] - [ 0.0042480300000000, 0.0001278000000000, -0.0029409200000000 ] - [ -0.0017674600000000, 0.0002759400000000, 0.0006992200000000 ] - [ -0.0002971500000000, 0.0007675300000000, 0.0001532400000000 ] - [ -0.0065024300000000, -0.0097945400000000, -0.0129338500000000 ] - [ 0.0024882300000000, 0.0019518400000000, -0.0034130100000000 ] - [ -0.0014864800000000, 0.0002737500000000, 0.0051903200000000 ] - [ -0.0000528400000000, 0.0004038700000000, 0.0003979000000000 ] - [ -0.0001141200000000, 0.0005759600000000, -0.0000422900000000 ] - [ 0.0022253200000000, 0.0011826100000000, -0.0003936600000000 ] - [ -0.0001246800000000, -0.0001740100000000, 0.0002411400000000 ] - [ 0.0000535000000000, -0.0001522000000000, -0.0001478100000000 ] - [ -0.0000995600000000, -0.0002337100000000, -0.0002084700000000 ] - [ -0.0016239000000000, 0.0045079600000000, 0.0031455300000000 ] - [ 0.0002428500000000, 0.0000411800000000, -0.0002140200000000 ] - [ 0.0001122100000000, -0.0004223600000000, -0.0000124100000000 ] - [ -0.0015997200000000, 0.0003969400000000, -0.0002724900000000 ] - [ -0.0000976400000000, -0.0002410500000000, -0.0000755000000000 ] - [ -0.0000090500000000, 0.0005508700000000, 0.0003902400000000 ] - [ -0.0002407800000000, 0.0000960500000000, -0.0003209500000000 ] - [ -0.0011388400000000, -0.0037140200000000, -0.0015740500000000 ] - [ -0.0023746400000000, 0.0008245400000000, 0.0005719700000000 ] - [ 0.0005294900000000, 0.0003922000000000, 0.0000739800000000 ] - [ 0.0007941600000000, -0.0002512500000000, -0.0002830700000000 ] - [ -0.0058704700000000, 0.0010302400000000, -0.0000665900000000 ] - [ 0.0001400700000000, 0.0010992800000000, 0.0003953700000000 ] - [ -0.0001612500000000, -0.0003574300000000, 0.0000308300000000 ] - [ -0.0003266800000000, -0.0001827100000000, -0.0016621800000000 ] - [ 0.0001791400000000, 0.0005442200000000, 0.0006494900000000 ] - [ -0.0048364000000000, 0.0006462600000000, 0.0009895900000000 ] - [ 0.0014653200000000, 0.0001065400000000, -0.0013345000000000 ] - [ 0.0001395800000000, -0.0004759700000000, -0.0001596700000000 ] - [ 0.0000565700000000, -0.0000635900000000, -0.0000315600000000 ] - [ 0.0030261900000000, -0.0049665400000000, -0.0000019800000000 ] - [ 0.0001842000000000, -0.0002901800000000, -0.0001432900000000 ] - [ 0.0004205000000000, 0.0002398900000000, -0.0003706100000000 ] - [ 0.0041767600000000, -0.0010518600000000, -0.0019473500000000 ] - [ 0.0002063600000000, 0.0001851900000000, 0.0002222200000000 ] - [ 0.0017651500000000, -0.0003482200000000, 0.0003029700000000 ] - [ 0.0008970000000000, -0.0003212100000000, 0.0000245400000000 ] - [ -0.0006065900000000, -0.0001468900000000, 0.0007751000000000 ] - [ 0.0000133300000000, 0.0000230200000000, -0.0000360700000000 ] - [ -0.0005008000000000, 0.0000541600000000, 0.0002853200000000 ] - [ -0.0000733000000000, -0.0000683400000000, -0.0002411500000000 ] - [ 0.0008123600000000, 0.0003295300000000, -0.0001533200000000 ] - [ 0.0049878400000000, 0.0020787300000000, 0.0028444800000000 ] - [ 0.0009018400000000, -0.0003124900000000, 0.0000208100000000 ] - [ -0.0017118900000000, -0.0004182300000000, -0.0004844200000000 ] - [ -0.0144924400000000, -0.0051738000000000, 0.0017573400000000 ] - [ -0.0066023100000000, 0.0011228500000000, 0.0024414300000000 ] - [ 0.0000315200000000, 0.0006800500000000, 0.0001481700000000 ] - [ 0.0001488900000000, 0.0001777700000000, -0.0001020200000000 ] - [ -0.0000123700000000, -0.0006352000000000, -0.0005089000000000 ] - [ 0.0000023300000000, 0.0001693200000000, 0.0001318000000000 ] - [ 0.0000295300000000, -0.0003171800000000, -0.0003455300000000 ] - [ -0.0010106100000000, 0.0008283100000000, -0.0014586000000000 ] - [ -0.0000787600000000, -0.0001531600000000, 0.0005480200000000 ] - [ 0.0018426900000000, 0.0000369600000000, -0.0011624700000000 ] - [ -0.0000867600000000, -0.0000446900000000, -0.0003269500000000 ] - [ 0.0000137700000000, -0.0001040800000000, 0.0002149500000000 ] - [ -0.0007824500000000, -0.0020236000000000, 0.0012890300000000 ] - [ 0.0001400200000000, 0.0000773400000000, -0.0000144100000000 ] - [ 0.0001431500000000, -0.0000171000000000, 0.0000179600000000 ] - [ -0.0004874300000000, 0.0001191600000000, 0.0001115300000000 ]- atom: 1 displacement: [ -0.0049999999911976, 0.0086602540429265, 0.0000000000000000 ] forces: - [ 0.0141546800000000, -0.0314414600000000, -0.0027442400000000 ] - [ 0.0008456500000000, 0.0000360000000000, -0.0006149800000000 ] - [ -0.0001206800000000, -0.0001027500000000, 0.0001518800000000 ] - [ 0.0000029300000000, -0.0003884400000000, -0.0001575900000000 ] - [ -0.0004589200000000, 0.0002890100000000, -0.0024990300000000 ] - [ -0.0000878800000000, 0.0002377700000000, 0.0001047800000000 ] - [ -0.0000429200000000, -0.0000046700000000, 0.0000161900000000 ] - [ -0.0004430200000000, 0.0023067200000000, 0.0018613500000000 ] - [ 0.0000554500000000, 0.0000645300000000, 0.0000796900000000 ] - [ -0.0000266700000000, -0.0002720800000000, -0.0000627000000000 ] - [ -0.0042058400000000, -0.0004516100000000, 0.0012078400000000 ] - [ 0.0001048300000000, -0.0001009500000000, 0.0000668700000000 ] - [ 0.0010650400000000, 0.0006813300000000, -0.0001214000000000 ] - [ -0.0009760100000000, -0.0002991600000000, -0.0001572100000000 ] - [ 0.0000763200000000, 0.0000852400000000, 0.0001421800000000 ] - [ -0.0010164400000000, 0.0017107800000000, -0.0001364400000000 ] - [ -0.0001417900000000, 0.0002470600000000, 0.0006324500000000 ] - [ -0.0001417800000000, -0.0001115700000000, 0.0000943900000000 ] - [ 0.0002731600000000, -0.0000007200000000, -0.0000974500000000 ] - [ -0.0003196200000000, 0.0006785600000000, 0.0000647600000000 ] - [ 0.0006056100000000, -0.0003586100000000, -0.0000833900000000 ] - [ 0.0044681900000000, -0.0083939500000000, -0.0000367500000000 ] - [ 0.0012697300000000, 0.0017601700000000, 0.0017280700000000 ] - [ -0.0012320500000000, 0.0030204900000000, 0.0004860300000000 ] - [ 0.0009855100000000, 0.0008143200000000, 0.0001557300000000 ] - [ -0.0002559000000000, 0.0002351300000000, -0.0001133900000000 ] - [ -0.0006914300000000, -0.0003559000000000, -0.0002340900000000 ] - [ 0.0008724000000000, 0.0004366900000000, 0.0008551500000000 ] - [ 0.0006009700000000, 0.0006653800000000, 0.0010432800000000 ] - [ 0.0041382600000000, -0.0075495500000000, 0.0047753100000000 ] - [ -0.0003110200000000, -0.0005094600000000, -0.0001981400000000 ] - [ -0.0109093600000000, 0.0111003700000000, 0.0082634400000000 ] - [ 0.0000294300000000, 0.0000873100000000, -0.0000226100000000 ] - [ -0.0008951700000000, 0.0013339700000000, 0.0003957000000000 ] - [ 0.0000489200000000, -0.0000045200000000, 0.0000871100000000 ] - [ 0.0009829400000000, -0.0013640100000000, 0.0011812400000000 ] - [ -0.0012288300000000, -0.0005608800000000, 0.0004546900000000 ] - [ -0.0012324100000000, 0.0022826900000000, -0.0019256800000000 ] - [ 0.0030848100000000, 0.0000634200000000, 0.0010638500000000 ] - [ -0.0042697500000000, 0.0133460200000000, -0.0066811900000000 ] - [ -0.0002748200000000, 0.0006975100000000, -0.0003547600000000 ] - [ -0.0005244500000000, -0.0002968700000000, -0.0000646700000000 ] - [ -0.0009746500000000, -0.0005583500000000, 0.0012493600000000 ] - [ -0.0005257000000000, 0.0011395600000000, 0.0003001600000000 ] - [ -0.0002259100000000, -0.0006272800000000, -0.0001913900000000 ] - [ -0.0000050600000000, 0.0000069100000000, -0.0002754700000000 ] - [ -0.0000249500000000, -0.0000886300000000, -0.0004860000000000 ] - [ -0.0012225000000000, 0.0002534300000000, 0.0003612500000000 ] - [ 0.0002255600000000, 0.0000222300000000, 0.0002115200000000 ] - [ 0.0004668700000000, -0.0007456600000000, -0.0002726500000000 ] - [ -0.0007466800000000, 0.0004167700000000, -0.0010837200000000 ] - [ -0.0000651300000000, -0.0003214600000000, -0.0001446300000000 ] - [ -0.0001981400000000, 0.0002873700000000, 0.0000453400000000 ] - [ -0.0000656400000000, 0.0001578500000000, -0.0002700700000000 ] - [ -0.0003303200000000, -0.0037344200000000, -0.0021098600000000 ] - [ -0.0024155000000000, 0.0017049800000000, -0.0004595800000000 ] - [ 0.0001690200000000, -0.0006092700000000, 0.0000866300000000 ] - [ 0.0001456100000000, 0.0002814900000000, 0.0001666000000000 ] - [ -0.0037738600000000, 0.0068864300000000, 0.0004776000000000 ] - [ -0.0007246700000000, -0.0005275000000000, -0.0002578000000000 ] - [ 0.0000575400000000, -0.0008387100000000, 0.0002278600000000 ] - [ -0.0003807900000000, -0.0001313000000000, -0.0028179200000000 ] - [ -0.0000961100000000, -0.0004144200000000, 0.0002596400000000 ] - [ -0.0026024900000000, 0.0111604600000000, -0.0057377200000000 ] - [ 0.0013378300000000, 0.0004602500000000, -0.0013136700000000 ] - [ 0.0003922200000000, -0.0006597900000000, -0.0003301200000000 ] - [ 0.0001297300000000, -0.0001735300000000, -0.0000706100000000 ] - [ 0.0053648200000000, -0.0046373800000000, -0.0003902400000000 ] - [ 0.0003333200000000, -0.0003546800000000, 0.0003481300000000 ] - [ 0.0003851600000000, 0.0004460700000000, -0.0003986500000000 ] - [ 0.0042934900000000, -0.0012920900000000, -0.0026185000000000 ] - [ 0.0001303100000000, -0.0000563800000000, 0.0001967800000000 ] - [ 0.0005414000000000, 0.0002402400000000, 0.0001553900000000 ] - [ 0.0004446700000000, 0.0001109600000000, -0.0003975000000000 ] - [ -0.0002971900000000, 0.0001479100000000, -0.0003767300000000 ] - [ -0.0000547000000000, -0.0000006500000000, -0.0000566100000000 ] - [ -0.0005203700000000, -0.0000154000000000, 0.0001106000000000 ] - [ -0.0000368600000000, -0.0001547400000000, -0.0002280600000000 ] - [ 0.0005168900000000, -0.0000162300000000, 0.0002386800000000 ] - [ -0.0002024600000000, -0.0004596400000000, -0.0002440300000000 ] - [ 0.0001708300000000, 0.0002577400000000, 0.0002695100000000 ] - [ -0.0006069300000000, 0.0013545800000000, -0.0001218500000000 ] - [ -0.0019574600000000, 0.0044393800000000, 0.0000951300000000 ] - [ -0.0050260300000000, 0.0069987700000000, 0.0020326700000000 ] - [ -0.0004161600000000, -0.0003288700000000, 0.0000364900000000 ] - [ 0.0000999700000000, 0.0000996300000000, -0.0000614600000000 ] - [ 0.0000705800000000, -0.0013832400000000, -0.0002385000000000 ] - [ -0.0002063000000000, -0.0002159400000000, 0.0002390000000000 ] - [ 0.0008657300000000, -0.0008016100000000, -0.0001226400000000 ] - [ -0.0004187000000000, 0.0030881600000000, -0.0002429400000000 ] - [ -0.0007472300000000, -0.0046147300000000, 0.0015374000000000 ] - [ 0.0005271000000000, 0.0002133200000000, 0.0001391600000000 ] - [ 0.0000075600000000, -0.0000535900000000, -0.0004030700000000 ] - [ 0.0000153300000000, -0.0002272700000000, 0.0002373500000000 ] - [ 0.0018756600000000, -0.0039179700000000, 0.0007465700000000 ] - [ 0.0001967400000000, 0.0000682500000000, -0.0000093400000000 ] - [ 0.0000765900000000, -0.0000009300000000, -0.0000262400000000 ] - [ 0.0021699000000000, -0.0018943900000000, 0.0033824700000000 ]- atom: 1 displacement: [ 0.0049999999911976, -0.0086602540429265, 0.0000000000000000 ] forces: - [ -0.0147320500000000, 0.0311426200000000, 0.0034790000000000 ] - [ -0.0007530800000000, 0.0002001700000000, 0.0006148300000000 ] - [ -0.0001250100000000, 0.0001538700000000, -0.0001542300000000 ] - [ 0.0001668500000000, 0.0002001700000000, 0.0001725300000000 ] - [ 0.0004708000000000, -0.0002791500000000, 0.0024530300000000 ] - [ 0.0000148300000000, -0.0000135800000000, -0.0000920000000000 ] - [ 0.0001287000000000, -0.0002150800000000, -0.0000198400000000 ] - [ 0.0002137500000000, -0.0023288700000000, -0.0018391500000000 ] - [ -0.0000536300000000, -0.0000525100000000, -0.0000116800000000 ] - [ -0.0001268800000000, 0.0000796200000000, 0.0000729600000000 ] - [ 0.0041741900000000, 0.0004345300000000, -0.0011867800000000 ] - [ 0.0001451700000000, 0.0000469100000000, -0.0000580900000000 ] - [ -0.0010746400000000, -0.0006878100000000, 0.0001908500000000 ] - [ 0.0012195900000000, 0.0003263600000000, 0.0001598400000000 ] - [ 0.0000758200000000, 0.0001041100000000, -0.0001521900000000 ] - [ 0.0009193500000000, -0.0019445300000000, 0.0001202300000000 ] - [ 0.0001397300000000, -0.0002574400000000, -0.0007008100000000 ] - [ 0.0001425700000000, 0.0001105500000000, -0.0000954500000000 ] - [ -0.0004532600000000, 0.0003131200000000, 0.0001004100000000 ] - [ 0.0001473500000000, -0.0009868600000000, -0.0000592800000000 ] - [ -0.0002612900000000, 0.0003596200000000, 0.0000788300000000 ] - [ -0.0048411200000000, 0.0083816000000000, 0.0000713200000000 ] - [ -0.0011134900000000, -0.0020642800000000, -0.0017414200000000 ] - [ 0.0014260400000000, -0.0027093400000000, -0.0004877100000000 ] - [ -0.0010007500000000, -0.0008068100000000, 0.0001716500000000 ] - [ 0.0000458400000000, -0.0001708100000000, -0.0001894200000000 ] - [ 0.0008638500000000, 0.0002072500000000, 0.0005391700000000 ] - [ -0.0008777400000000, -0.0004318100000000, -0.0005249700000000 ] - [ -0.0005655100000000, -0.0008538900000000, -0.0013596600000000 ] - [ -0.0041021500000000, 0.0077713400000000, -0.0045610200000000 ] - [ 0.0002457300000000, 0.0003106300000000, -0.0001130700000000 ] - [ 0.0110280400000000, -0.0111180500000000, -0.0087907900000000 ] - [ 0.0001054700000000, 0.0000553000000000, -0.0002817400000000 ] - [ 0.0007193400000000, -0.0013951000000000, -0.0000739100000000 ] - [ -0.0000446400000000, 0.0000017800000000, -0.0004161200000000 ] - [ -0.0011372000000000, 0.0012316200000000, -0.0008577800000000 ] - [ 0.0011908800000000, 0.0007344400000000, -0.0001492800000000 ] - [ 0.0014512600000000, -0.0023443900000000, 0.0022191000000000 ] - [ -0.0028982100000000, 0.0000558200000000, -0.0013199700000000 ] - [ 0.0041871900000000, -0.0131383200000000, 0.0062415700000000 ] - [ 0.0002611700000000, -0.0006648100000000, 0.0003311600000000 ] - [ 0.0004146500000000, 0.0001029000000000, 0.0004521300000000 ] - [ 0.0008625500000000, 0.0007572000000000, -0.0008696300000000 ] - [ 0.0009026600000000, -0.0010620100000000, 0.0001554700000000 ] - [ 0.0003360600000000, 0.0004390000000000, 0.0005733100000000 ] - [ 0.0001211700000000, -0.0001997100000000, -0.0001052600000000 ] - [ -0.0000007300000000, -0.0001980600000000, 0.0006297000000000 ] - [ 0.0009971200000000, 0.0000101700000000, 0.0000793500000000 ] - [ -0.0002086600000000, 0.0000133200000000, -0.0002138000000000 ] - [ -0.0005109900000000, 0.0004972800000000, 0.0002389900000000 ] - [ 0.0006327400000000, -0.0000673300000000, 0.0006307700000000 ] - [ -0.0001315500000000, 0.0001642400000000, 0.0001729000000000 ] - [ 0.0003136300000000, -0.0000958400000000, 0.0003430600000000 ] - [ 0.0001833300000000, 0.0000360500000000, -0.0001135800000000 ] - [ 0.0005602500000000, 0.0037329400000000, 0.0017577300000000 ] - [ 0.0020568400000000, -0.0017833300000000, 0.0000080600000000 ] - [ 0.0000562000000000, 0.0004641700000000, -0.0000459400000000 ] - [ -0.0001056900000000, -0.0002766300000000, -0.0001648900000000 ] - [ 0.0036828300000000, -0.0065227900000000, -0.0003826700000000 ] - [ 0.0007212300000000, 0.0005280900000000, 0.0004956800000000 ] - [ 0.0001920400000000, 0.0005547600000000, -0.0006891600000000 ] - [ 0.0003407600000000, 0.0001323100000000, 0.0028372900000000 ] - [ 0.0003215600000000, 0.0004020200000000, 0.0001231800000000 ] - [ 0.0024266000000000, -0.0108077900000000, 0.0053299300000000 ] - [ -0.0009676900000000, -0.0005283800000000, 0.0008615000000000 ] - [ -0.0006236400000000, 0.0004967300000000, 0.0001812800000000 ] - [ -0.0001069100000000, 0.0001380900000000, 0.0000638800000000 ] - [ -0.0054383600000000, 0.0046720600000000, 0.0001540700000000 ] - [ -0.0001274400000000, 0.0002207000000000, -0.0004726000000000 ] - [ -0.0003593900000000, -0.0001612100000000, 0.0002595900000000 ] - [ -0.0044237300000000, 0.0014725700000000, 0.0022668000000000 ] - [ 0.0001097500000000, 0.0003215600000000, 0.0002537500000000 ] - [ -0.0005073400000000, -0.0005188100000000, -0.0000183400000000 ] - [ -0.0002556100000000, 0.0000555100000000, 0.0003709000000000 ] - [ 0.0000444300000000, -0.0002594900000000, 0.0002365800000000 ] - [ -0.0001562400000000, 0.0001387900000000, 0.0001851500000000 ] - [ 0.0001580600000000, 0.0000838200000000, 0.0003405300000000 ] - [ -0.0001840100000000, 0.0001574200000000, -0.0001576000000000 ] - [ -0.0004141100000000, 0.0003542500000000, -0.0006944000000000 ] - [ 0.0002211200000000, 0.0006955900000000, 0.0002513900000000 ] - [ 0.0000372600000000, -0.0001212200000000, -0.0003004300000000 ] - [ 0.0003703000000000, -0.0012425700000000, 0.0000833500000000 ] - [ 0.0022740800000000, -0.0042299900000000, 0.0000367700000000 ] - [ 0.0052183500000000, -0.0073910900000000, -0.0027441600000000 ] - [ 0.0001872700000000, 0.0003227700000000, 0.0003419700000000 ] - [ -0.0000917800000000, 0.0001513400000000, 0.0000942500000000 ] - [ -0.0003180100000000, 0.0011103800000000, -0.0002146200000000 ] - [ 0.0002071500000000, 0.0002160500000000, 0.0000062900000000 ] - [ -0.0008797600000000, 0.0005523600000000, 0.0000943400000000 ] - [ 0.0002062100000000, -0.0029444200000000, 0.0002076400000000 ] - [ 0.0006180800000000, 0.0042780300000000, -0.0010687600000000 ] - [ -0.0003106000000000, -0.0003250900000000, -0.0002668600000000 ] - [ -0.0000060400000000, 0.0000520800000000, 0.0001633000000000 ] - [ 0.0001060600000000, -0.0001339700000000, 0.0002211100000000 ] - [ -0.0020985400000000, 0.0039904700000000, -0.0005922600000000 ] - [ 0.0000610900000000, 0.0000437700000000, 0.0001437000000000 ] - [ 0.0001635600000000, -0.0001113200000000, 0.0000619400000000 ] - [ -0.0022009700000000, 0.0018642700000000, -0.0033728000000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0100970000000000, 0.0020940300000000, -0.0447195200000000 ] - [ -0.0016332700000000, -0.0010592700000000, -0.0011321500000000 ] - [ -0.0002775700000000, -0.0000752600000000, 0.0011640600000000 ] - [ 0.0004522400000000, -0.0000658400000000, -0.0008133700000000 ] - [ 0.0011927300000000, -0.0012946500000000, -0.0003307700000000 ] - [ 0.0001497300000000, 0.0000966800000000, 0.0008209700000000 ] - [ -0.0000191700000000, -0.0001619800000000, 0.0008538100000000 ] - [ -0.0007311700000000, 0.0030559700000000, -0.0011341700000000 ] - [ 0.0000935900000000, 0.0001503400000000, 0.0008612400000000 ] - [ 0.0000181800000000, -0.0002236300000000, 0.0012617700000000 ] - [ -0.0024483400000000, 0.0004353600000000, -0.0024154400000000 ] - [ 0.0000615800000000, 0.0000035600000000, 0.0007364900000000 ] - [ -0.0004388800000000, -0.0003393700000000, -0.0011542900000000 ] - [ -0.0000150000000000, -0.0001162400000000, -0.0011636100000000 ] - [ 0.0001890000000000, 0.0002030900000000, 0.0008023900000000 ] - [ 0.0001648100000000, -0.0000489200000000, -0.0011708400000000 ] - [ -0.0002326700000000, 0.0001987400000000, 0.0010889800000000 ] - [ -0.0000213600000000, -0.0000511700000000, 0.0009497400000000 ] - [ -0.0001324700000000, -0.0025176100000000, 0.0025958500000000 ] - [ -0.0002464700000000, 0.0004927900000000, 0.0007304100000000 ] - [ 0.0029419900000000, 0.0011406900000000, 0.0022841800000000 ] - [ -0.0069156500000000, -0.0041385900000000, 0.0089285200000000 ] - [ 0.0005009500000000, 0.0010628000000000, 0.0001693600000000 ] - [ -0.0004550700000000, -0.0004494100000000, 0.0009580600000000 ] - [ -0.0007306800000000, -0.0007640200000000, 0.0023562100000000 ] - [ -0.0009191300000000, 0.0002376700000000, 0.0015868100000000 ] - [ 0.0003846700000000, -0.0005576900000000, -0.0001734700000000 ] - [ 0.0004953800000000, 0.0005286000000000, -0.0017203400000000 ] - [ 0.0005342500000000, 0.0017582900000000, 0.0046913400000000 ] - [ 0.0009969700000000, -0.0033009000000000, 0.0206694100000000 ] - [ -0.0018145500000000, 0.0004283200000000, -0.0019433200000000 ] - [ -0.0065635900000000, 0.0093301000000000, -0.0110672400000000 ] - [ 0.0004025200000000, 0.0000554600000000, 0.0015248600000000 ] - [ -0.0007030100000000, -0.0008252400000000, -0.0003492900000000 ] - [ 0.0005633200000000, -0.0006439800000000, 0.0024257300000000 ] - [ 0.0009986700000000, 0.0016865500000000, 0.0047429300000000 ] - [ -0.0013787400000000, -0.0004091600000000, 0.0014435600000000 ] - [ 0.0004498800000000, -0.0004191300000000, 0.0028395700000000 ] - [ 0.0048235400000000, 0.0039519000000000, -0.0028725100000000 ] - [ 0.0067096200000000, -0.0086637900000000, -0.0027024900000000 ] - [ -0.0011097000000000, -0.0015901000000000, -0.0001904600000000 ] - [ -0.0000577800000000, -0.0001117300000000, -0.0002873200000000 ] - [ 0.0006474700000000, 0.0012563000000000, -0.0011861600000000 ] - [ 0.0023174500000000, 0.0007042400000000, 0.0010437500000000 ] - [ -0.0002879500000000, -0.0009054000000000, 0.0002220300000000 ] - [ -0.0002465100000000, 0.0005628500000000, -0.0014271400000000 ] - [ 0.0002531700000000, 0.0000596500000000, -0.0022184100000000 ] - [ -0.0005163800000000, -0.0001642700000000, 0.0010889800000000 ] - [ 0.0000836600000000, 0.0002660400000000, -0.0005082800000000 ] - [ 0.0004199600000000, -0.0005117000000000, 0.0000440700000000 ] - [ -0.0001151500000000, -0.0006235200000000, -0.0010535100000000 ] - [ 0.0001384900000000, -0.0007080200000000, -0.0009308900000000 ] - [ -0.0003067900000000, -0.0005363000000000, 0.0005043400000000 ] - [ -0.0007631800000000, 0.0004135400000000, -0.0016121100000000 ] - [ 0.0005867800000000, -0.0021827100000000, 0.0012844300000000 ] - [ -0.0037468500000000, 0.0003669800000000, -0.0039951900000000 ] - [ 0.0004309700000000, -0.0002554900000000, 0.0005785300000000 ] - [ 0.0003009200000000, 0.0000236100000000, 0.0000573000000000 ] - [ -0.0009671200000000, 0.0023716600000000, 0.0054618600000000 ] - [ -0.0001560000000000, -0.0003383500000000, 0.0019942300000000 ] - [ -0.0001991400000000, 0.0008103400000000, -0.0001498200000000 ] - [ -0.0000561800000000, -0.0018964600000000, -0.0060540900000000 ] - [ 0.0003263000000000, -0.0000259000000000, -0.0004392900000000 ] - [ -0.0016799600000000, -0.0064869300000000, 0.0110076400000000 ] - [ 0.0015988400000000, 0.0000570800000000, -0.0013563300000000 ] - [ 0.0001291700000000, 0.0000295200000000, 0.0008900700000000 ] - [ 0.0003112900000000, 0.0001431800000000, -0.0005989500000000 ] - [ -0.0012164900000000, 0.0006580800000000, 0.0064690900000000 ] - [ 0.0001201500000000, -0.0002576500000000, -0.0013771800000000 ] - [ 0.0004364700000000, 0.0004530500000000, -0.0011007400000000 ] - [ 0.0024147900000000, -0.0012886500000000, 0.0010221600000000 ] - [ 0.0001054300000000, -0.0000332300000000, -0.0003179300000000 ] - [ 0.0005100400000000, -0.0004850500000000, 0.0015516500000000 ] - [ 0.0003051100000000, 0.0001658600000000, -0.0004669700000000 ] - [ -0.0008479300000000, -0.0001842900000000, -0.0018294700000000 ] - [ 0.0000937000000000, -0.0002940500000000, -0.0011024300000000 ] - [ -0.0004218200000000, -0.0006406300000000, -0.0010533500000000 ] - [ -0.0000756300000000, -0.0000327000000000, -0.0008408600000000 ] - [ -0.0000737800000000, 0.0002406300000000, -0.0001622900000000 ] - [ 0.0005676000000000, 0.0006118800000000, 0.0010359200000000 ] - [ -0.0006878500000000, 0.0003015300000000, 0.0001635500000000 ] - [ -0.0006970800000000, -0.0004596900000000, -0.0021537700000000 ] - [ -0.0003063500000000, 0.0000003800000000, 0.0058168300000000 ] - [ -0.0014346300000000, -0.0008233800000000, 0.0092178200000000 ] - [ 0.0003268700000000, 0.0006431000000000, 0.0005060400000000 ] - [ 0.0007629600000000, 0.0001492100000000, -0.0011358200000000 ] - [ -0.0002706700000000, -0.0000696800000000, -0.0009859000000000 ] - [ 0.0001059800000000, 0.0001302200000000, -0.0016301500000000 ] - [ -0.0002347400000000, -0.0002127000000000, -0.0006897100000000 ] - [ 0.0007448000000000, 0.0042125000000000, -0.0037874100000000 ] - [ -0.0002346300000000, 0.0032901200000000, 0.0001323800000000 ] - [ 0.0004123600000000, 0.0001939600000000, 0.0008588200000000 ] - [ -0.0000574000000000, 0.0000578400000000, -0.0020794600000000 ] - [ -0.0000326700000000, 0.0001127200000000, -0.0003821800000000 ] - [ -0.0021145000000000, 0.0006450900000000, 0.0038728500000000 ] - [ -0.0001649900000000, 0.0001004200000000, -0.0009967600000000 ] - [ -0.0002217800000000, -0.0001630400000000, -0.0006031200000000 ] - [ -0.0016929300000000, 0.0014649600000000, -0.0017443400000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0105525600000000, -0.0026299900000000, 0.0445321100000000 ] - [ 0.0017090100000000, 0.0012883900000000, 0.0011293500000000 ] - [ 0.0000277900000000, 0.0001218100000000, -0.0011592700000000 ] - [ -0.0002829300000000, -0.0001269100000000, 0.0008101500000000 ] - [ -0.0011735200000000, 0.0012928800000000, 0.0002527300000000 ] - [ -0.0002370900000000, 0.0001218100000000, -0.0008149000000000 ] - [ 0.0001068200000000, -0.0000566900000000, -0.0008524400000000 ] - [ 0.0004941900000000, -0.0030784900000000, 0.0011228900000000 ] - [ -0.0000914900000000, -0.0001367600000000, -0.0007909400000000 ] - [ -0.0001725300000000, 0.0000352300000000, -0.0012522200000000 ] - [ 0.0024570400000000, -0.0004408700000000, 0.0023932000000000 ] - [ 0.0001897400000000, -0.0000624900000000, -0.0007214400000000 ] - [ 0.0004280600000000, 0.0003329900000000, 0.0012210300000000 ] - [ 0.0002502800000000, 0.0001417000000000, 0.0011677700000000 ] - [ -0.0000244000000000, -0.0000085300000000, -0.0008166400000000 ] - [ -0.0002521900000000, -0.0001784500000000, 0.0011578200000000 ] - [ 0.0002337200000000, -0.0002107800000000, -0.0011567100000000 ] - [ 0.0000202700000000, 0.0000524700000000, -0.0009471300000000 ] - [ -0.0000387800000000, 0.0027935100000000, -0.0025817200000000 ] - [ 0.0000742200000000, -0.0007904600000000, -0.0007333300000000 ] - [ -0.0025804500000000, -0.0011293600000000, -0.0022754500000000 ] - [ 0.0066417900000000, 0.0041780600000000, -0.0089700700000000 ] - [ -0.0003349900000000, -0.0013605900000000, -0.0001588300000000 ] - [ 0.0006316800000000, 0.0007525100000000, -0.0009472600000000 ] - [ 0.0007209500000000, 0.0007734500000000, -0.0020160700000000 ] - [ 0.0007010500000000, -0.0001707300000000, -0.0018877400000000 ] - [ -0.0002156000000000, 0.0004013900000000, 0.0004660500000000 ] - [ -0.0005020600000000, -0.0005196300000000, 0.0020365000000000 ] - [ -0.0005044400000000, -0.0019363800000000, -0.0049881700000000 ] - [ -0.0010075900000000, 0.0035735300000000, -0.0201776200000000 ] - [ 0.0017608200000000, -0.0006222000000000, 0.0016428600000000 ] - [ 0.0065403800000000, -0.0092979000000000, 0.0107508700000000 ] - [ -0.0002575700000000, 0.0000862300000000, -0.0018283800000000 ] - [ 0.0005267100000000, 0.0007592700000000, 0.0006491400000000 ] - [ -0.0005534600000000, 0.0006316500000000, -0.0027511900000000 ] - [ -0.0011417600000000, -0.0018455400000000, -0.0044629000000000 ] - [ 0.0013462500000000, 0.0005851000000000, -0.0011294300000000 ] - [ -0.0002321000000000, 0.0003563300000000, -0.0025289500000000 ] - [ -0.0046567000000000, -0.0038922300000000, 0.0026870500000000 ] - [ -0.0068483400000000, 0.0088009600000000, 0.0024093200000000 ] - [ 0.0010972800000000, 0.0016805200000000, 0.0001779200000000 ] - [ -0.0000756800000000, -0.0000892300000000, 0.0006722900000000 ] - [ -0.0007584400000000, -0.0010511500000000, 0.0015703900000000 ] - [ -0.0019547000000000, -0.0006184800000000, -0.0005972800000000 ] - [ 0.0004263700000000, 0.0007015300000000, 0.0001608500000000 ] - [ 0.0003554800000000, -0.0007730800000000, 0.0010405200000000 ] - [ -0.0002673800000000, -0.0003369300000000, 0.0023447600000000 ] - [ 0.0002686700000000, 0.0004283800000000, -0.0006574800000000 ] - [ -0.0000489300000000, -0.0002057900000000, 0.0005108700000000 ] - [ -0.0004744400000000, 0.0002630800000000, -0.0000719900000000 ] - [ 0.0000060200000000, 0.0009977300000000, 0.0005942900000000 ] - [ -0.0003270100000000, 0.0005363900000000, 0.0009599900000000 ] - [ 0.0004176900000000, 0.0007424700000000, -0.0001109400000000 ] - [ 0.0008853100000000, -0.0002199800000000, 0.0012075600000000 ] - [ -0.0003477200000000, 0.0021997400000000, -0.0016699000000000 ] - [ 0.0033621100000000, -0.0004603900000000, 0.0035075200000000 ] - [ -0.0002218500000000, 0.0000964000000000, -0.0005410800000000 ] - [ -0.0002267500000000, -0.0000228000000000, -0.0000625800000000 ] - [ 0.0007443400000000, -0.0018245900000000, -0.0049040000000000 ] - [ 0.0001553200000000, 0.0003384700000000, -0.0017457700000000 ] - [ 0.0004412700000000, -0.0010785700000000, -0.0002918400000000 ] - [ -0.0000089600000000, 0.0018865700000000, 0.0060638000000000 ] - [ -0.0000902500000000, 0.0000037000000000, 0.0008269300000000 ] - [ 0.0014868000000000, 0.0068489500000000, -0.0112855800000000 ] - [ -0.0012407200000000, -0.0001333000000000, 0.0009041500000000 ] - [ -0.0003573800000000, -0.0001772300000000, -0.0010078500000000 ] - [ -0.0002772300000000, -0.0002051900000000, 0.0005988800000000 ] - [ 0.0012270500000000, -0.0006647000000000, -0.0066873600000000 ] - [ 0.0000836100000000, 0.0001332400000000, 0.0012585100000000 ] - [ -0.0004193000000000, -0.0001785800000000, 0.0009722300000000 ] - [ -0.0025515200000000, 0.0014816900000000, -0.0014097100000000 ] - [ 0.0001533300000000, 0.0002932000000000, 0.0007728900000000 ] - [ -0.0004887800000000, 0.0002197300000000, -0.0014287600000000 ] - [ -0.0001243600000000, 0.0000068300000000, 0.0004425800000000 ] - [ 0.0006081200000000, 0.0000734700000000, 0.0017082500000000 ] - [ -0.0002961100000000, 0.0004178600000000, 0.0012142800000000 ] - [ 0.0000609000000000, 0.0007193200000000, 0.0015001200000000 ] - [ -0.0001705000000000, 0.0000563100000000, 0.0004599500000000 ] - [ 0.0001673600000000, 0.0001108500000000, -0.0002911700000000 ] - [ -0.0005295100000000, -0.0003787200000000, -0.0010381500000000 ] - [ 0.0008918100000000, -0.0001692000000000, -0.0001900200000000 ] - [ 0.0004610200000000, 0.0005659800000000, 0.0021313000000000 ] - [ 0.0006179300000000, 0.0001986400000000, -0.0057006800000000 ] - [ 0.0016835800000000, 0.0004079900000000, -0.0099631400000000 ] - [ -0.0005518500000000, -0.0006529300000000, -0.0001084700000000 ] - [ -0.0007509000000000, 0.0000901900000000, 0.0011484900000000 ] - [ 0.0000165000000000, -0.0001957200000000, 0.0005306700000000 ] - [ -0.0001058600000000, -0.0001302600000000, 0.0018596700000000 ] - [ 0.0002324200000000, -0.0000324700000000, 0.0006567800000000 ] - [ -0.0009357300000000, -0.0040392200000000, 0.0037305900000000 ] - [ 0.0001301900000000, -0.0036395400000000, 0.0003234500000000 ] - [ -0.0002056000000000, -0.0003073100000000, -0.0009635000000000 ] - [ 0.0000571600000000, -0.0000572000000000, 0.0018352100000000 ] - [ 0.0001450000000000, -0.0004651500000000, 0.0008304200000000 ] - [ 0.0019068300000000, -0.0005236100000000, -0.0037583600000000 ] - [ 0.0004069800000000, 0.0000143800000000, 0.0011147600000000 ] - [ 0.0004616900000000, 0.0000590200000000, 0.0006391900000000 ] - [ 0.0016491000000000, -0.0015256000000000, 0.0017354800000000 ]- atom: 5 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000644400000000, -0.0003579500000000, 0.0011848600000000 ] - [ 0.0024121100000000, 0.0000462500000000, 0.0005134600000000 ] - [ 0.0001643900000000, 0.0000066400000000, -0.0002878400000000 ] - [ 0.0002784300000000, 0.0012506800000000, -0.0004324400000000 ] - [ -0.0227592100000000, 0.0000788900000000, -0.0003218200000000 ] - [ 0.0000510000000000, 0.0000774700000000, 0.0001681400000000 ] - [ -0.0000386200000000, -0.0003323500000000, 0.0000650200000000 ] - [ -0.0000618600000000, -0.0012738800000000, -0.0000739600000000 ] - [ 0.0003269600000000, -0.0003088000000000, 0.0000395700000000 ] - [ -0.0000945000000000, -0.0001512700000000, -0.0000925200000000 ] - [ 0.0007401400000000, 0.0005300400000000, -0.0000021900000000 ] - [ 0.0001509200000000, 0.0000291300000000, -0.0000739200000000 ] - [ 0.0000687800000000, -0.0000041500000000, 0.0000350700000000 ] - [ 0.0005983500000000, 0.0003935000000000, -0.0017356700000000 ] - [ -0.0000059300000000, 0.0003077100000000, 0.0002374300000000 ] - [ -0.0004478800000000, 0.0001390700000000, 0.0005309200000000 ] - [ -0.0000312700000000, -0.0000167100000000, -0.0000386000000000 ] - [ 0.0001412300000000, 0.0001443800000000, 0.0000004400000000 ] - [ 0.0061775000000000, 0.0022620800000000, -0.0060539300000000 ] - [ 0.0005383800000000, -0.0082098200000000, 0.0052807500000000 ] - [ -0.0052176600000000, 0.0019212000000000, 0.0008110900000000 ] - [ -0.0003655300000000, -0.0000120300000000, 0.0000452700000000 ] - [ -0.0000013400000000, -0.0000221800000000, 0.0000924300000000 ] - [ 0.0000487000000000, 0.0001198700000000, -0.0001330100000000 ] - [ 0.0000369700000000, -0.0000364900000000, 0.0001670700000000 ] - [ 0.0032438300000000, -0.0005776800000000, 0.0030980900000000 ] - [ 0.0156306500000000, 0.0113633400000000, 0.0013080100000000 ] - [ 0.0025058600000000, 0.0007530800000000, 0.0001631200000000 ] - [ 0.0000591000000000, -0.0017989300000000, -0.0018860600000000 ] - [ 0.0053605700000000, -0.0107066300000000, -0.0018158000000000 ] - [ -0.0001844200000000, 0.0005369600000000, -0.0007657900000000 ] - [ 0.0000326700000000, -0.0000072800000000, -0.0001359600000000 ] - [ 0.0008222700000000, 0.0017823600000000, -0.0016685700000000 ] - [ -0.0090207100000000, 0.0090880100000000, 0.0010165300000000 ] - [ -0.0051622800000000, 0.0004893900000000, -0.0001781100000000 ] - [ -0.0001070300000000, -0.0000749900000000, 0.0002079200000000 ] - [ -0.0001050900000000, 0.0000287700000000, 0.0001325800000000 ] - [ 0.0000940600000000, -0.0001109500000000, 0.0001248400000000 ] - [ 0.0009270100000000, 0.0002814400000000, 0.0003842700000000 ] - [ -0.0000756300000000, -0.0003440400000000, -0.0000931400000000 ] - [ -0.0000553500000000, 0.0000283700000000, -0.0001519800000000 ] - [ -0.0000986800000000, -0.0001328000000000, 0.0001793200000000 ] - [ -0.0000233900000000, 0.0001326100000000, 0.0002003000000000 ] - [ 0.0003710800000000, -0.0000498100000000, 0.0003473800000000 ] - [ -0.0016008900000000, 0.0012610100000000, 0.0006194200000000 ] - [ 0.0017997200000000, -0.0004533000000000, -0.0012547900000000 ] - [ -0.0001356700000000, 0.0000887200000000, 0.0004929400000000 ] - [ -0.0002584700000000, 0.0000775700000000, 0.0000404100000000 ] - [ -0.0038307100000000, -0.0009619400000000, -0.0038000000000000 ] - [ 0.0040529600000000, 0.0013547000000000, -0.0003586600000000 ] - [ -0.0000353300000000, 0.0001837700000000, -0.0002492500000000 ] - [ -0.0002267100000000, 0.0009856000000000, 0.0000466600000000 ] - [ 0.0001995600000000, -0.0001641500000000, 0.0000346000000000 ] - [ 0.0017363900000000, 0.0001674600000000, 0.0023093100000000 ] - [ 0.0002352700000000, 0.0004148200000000, 0.0000803400000000 ] - [ 0.0044770000000000, 0.0017378400000000, 0.0012025900000000 ] - [ 0.0000400600000000, -0.0004723400000000, 0.0000564400000000 ] - [ 0.0000606100000000, -0.0000073900000000, 0.0001758000000000 ] - [ -0.0008218700000000, 0.0019063400000000, -0.0009793400000000 ] - [ -0.0005347900000000, -0.0000699800000000, 0.0001219000000000 ] - [ 0.0049874000000000, -0.0027160200000000, -0.0002632500000000 ] - [ -0.0003802900000000, 0.0018498000000000, 0.0021631500000000 ] - [ 0.0000677400000000, 0.0000425300000000, 0.0001972700000000 ] - [ -0.0000943900000000, 0.0001077000000000, -0.0001717600000000 ] - [ 0.0002432600000000, -0.0000277000000000, -0.0002154500000000 ] - [ 0.0008609100000000, -0.0024742100000000, -0.0009476100000000 ] - [ 0.0004030600000000, -0.0026526900000000, 0.0016295800000000 ] - [ 0.0028223200000000, 0.0000096900000000, 0.0000015500000000 ] - [ 0.0000976000000000, 0.0000063000000000, -0.0000168900000000 ] - [ 0.0000169000000000, 0.0000696300000000, -0.0000838500000000 ] - [ 0.0008517000000000, 0.0001390100000000, -0.0007677100000000 ] - [ -0.0013638000000000, 0.0004294400000000, -0.0013481400000000 ] - [ -0.0000297000000000, -0.0007839000000000, 0.0006796100000000 ] - [ 0.0001239100000000, 0.0001151700000000, -0.0000786000000000 ] - [ -0.0002288400000000, -0.0000703100000000, -0.0000762400000000 ] - [ -0.0005224300000000, -0.0000714700000000, -0.0007336200000000 ] - [ -0.0000942100000000, 0.0006752600000000, 0.0009311400000000 ] - [ 0.0019524800000000, -0.0000766800000000, -0.0016368600000000 ] - [ 0.0015242800000000, -0.0004340800000000, -0.0014790600000000 ] - [ -0.0004820800000000, 0.0000779800000000, 0.0001642100000000 ] - [ -0.0006189800000000, -0.0048182600000000, -0.0012664500000000 ] - [ -0.0000916900000000, 0.0000411000000000, 0.0000040500000000 ] - [ -0.0007270900000000, 0.0000238100000000, -0.0004824100000000 ] - [ 0.0001329000000000, -0.0005515300000000, 0.0000734600000000 ] - [ -0.0022894200000000, -0.0010299500000000, -0.0000736100000000 ] - [ -0.0021228300000000, 0.0002982800000000, 0.0003280800000000 ] - [ -0.0000965300000000, -0.0000893500000000, -0.0002157400000000 ] - [ -0.0000818000000000, 0.0000977700000000, 0.0001219900000000 ] - [ -0.0000042100000000, -0.0001111900000000, 0.0000276000000000 ] - [ -0.0038995200000000, 0.0025145000000000, 0.0015604400000000 ] - [ 0.0000077400000000, 0.0000211900000000, 0.0002926800000000 ] - [ -0.0034413700000000, -0.0019096800000000, 0.0017471200000000 ] - [ 0.0008279200000000, -0.0000452600000000, -0.0001228600000000 ] - [ -0.0003611800000000, -0.0010793700000000, 0.0010909900000000 ] - [ -0.0000227000000000, 0.0004030700000000, -0.0000167900000000 ] - [ 0.0001490300000000, -0.0001478100000000, 0.0004129100000000 ] - [ -0.0002374300000000, -0.0011529500000000, -0.0003387600000000 ] - [ -0.0000248100000000, 0.0000089500000000, -0.0000210700000000 ]- atom: 5 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0002130600000000, 0.0005563300000000, -0.0011834400000000 ] - [ -0.0023346900000000, 0.0001790900000000, -0.0005090400000000 ] - [ -0.0004127700000000, 0.0000403500000000, 0.0002925000000000 ] - [ -0.0001060900000000, -0.0014359200000000, 0.0004336300000000 ] - [ 0.0222089600000000, 0.0000835300000000, -0.0003177600000000 ] - [ -0.0001406000000000, 0.0001417700000000, -0.0001670700000000 ] - [ 0.0001302900000000, 0.0001126200000000, -0.0000606300000000 ] - [ -0.0001733400000000, 0.0012448500000000, 0.0000711300000000 ] - [ -0.0003249300000000, 0.0003183400000000, 0.0000387100000000 ] - [ -0.0000557600000000, -0.0000439800000000, 0.0000978100000000 ] - [ -0.0007391300000000, -0.0005240600000000, -0.0000024200000000 ] - [ 0.0001000300000000, -0.0000824100000000, 0.0000825500000000 ] - [ -0.0000797600000000, -0.0000037500000000, 0.0000366100000000 ] - [ -0.0003657400000000, -0.0003480400000000, 0.0017057400000000 ] - [ 0.0001482200000000, -0.0001125300000000, -0.0002358800000000 ] - [ 0.0003546900000000, -0.0003547600000000, -0.0005295600000000 ] - [ 0.0000305000000000, 0.0000039500000000, -0.0000383800000000 ] - [ -0.0001412200000000, -0.0001430400000000, 0.0000008100000000 ] - [ -0.0063604400000000, -0.0020113600000000, 0.0061073100000000 ] - [ -0.0007280000000000, 0.0078667400000000, -0.0052546400000000 ] - [ 0.0055246000000000, -0.0019371500000000, -0.0008130500000000 ] - [ 0.0000216500000000, 0.0000000800000000, -0.0000394200000000 ] - [ 0.0001870700000000, -0.0002772400000000, -0.0000901900000000 ] - [ 0.0001171900000000, 0.0001897900000000, 0.0001357500000000 ] - [ -0.0000486100000000, 0.0000451400000000, 0.0001644900000000 ] - [ -0.0034651000000000, 0.0006410800000000, -0.0033866500000000 ] - [ -0.0153274100000000, -0.0114833700000000, -0.0009491100000000 ] - [ -0.0025158300000000, -0.0007667800000000, 0.0001616400000000 ] - [ -0.0000176400000000, 0.0016196000000000, 0.0015742900000000 ] - [ -0.0052175400000000, 0.0110586600000000, 0.0021630000000000 ] - [ 0.0001336200000000, -0.0007296700000000, 0.0004528000000000 ] - [ -0.0000150400000000, -0.0000009900000000, -0.0001338300000000 ] - [ -0.0006760400000000, -0.0016434600000000, 0.0013588000000000 ] - [ 0.0088516900000000, -0.0090926900000000, -0.0007104700000000 ] - [ 0.0051852200000000, -0.0004947200000000, -0.0001759400000000 ] - [ -0.0000301200000000, -0.0000638900000000, 0.0001000700000000 ] - [ 0.0000707900000000, 0.0001451100000000, 0.0001800900000000 ] - [ 0.0001234800000000, 0.0000501900000000, 0.0001817000000000 ] - [ -0.0007590400000000, -0.0002274800000000, -0.0007075900000000 ] - [ -0.0000903900000000, 0.0005040400000000, -0.0002141800000000 ] - [ 0.0000327300000000, 0.0000153000000000, 0.0001556700000000 ] - [ -0.0000148600000000, -0.0000659700000000, 0.0002052700000000 ] - [ -0.0000935200000000, 0.0000618100000000, 0.0001804100000000 ] - [ -0.0000055600000000, 0.0001293400000000, 0.0001073900000000 ] - [ 0.0017163400000000, -0.0014472000000000, -0.0002346000000000 ] - [ -0.0016769800000000, 0.0002603200000000, 0.0008735000000000 ] - [ 0.0001143700000000, -0.0003711700000000, -0.0003639800000000 ] - [ 0.0000128800000000, 0.0002037500000000, 0.0004143000000000 ] - [ 0.0038467700000000, 0.0010087400000000, 0.0037857900000000 ] - [ -0.0040838200000000, -0.0016058600000000, 0.0003326800000000 ] - [ -0.0000821800000000, 0.0001741800000000, -0.0002111000000000 ] - [ 0.0000365700000000, -0.0011503900000000, -0.0000190500000000 ] - [ -0.0000844500000000, 0.0003629400000000, 0.0003540500000000 ] - [ -0.0016447800000000, 0.0000305900000000, -0.0027033400000000 ] - [ -0.0000201500000000, -0.0004319400000000, -0.0004851500000000 ] - [ -0.0049139400000000, -0.0017456000000000, -0.0016391600000000 ] - [ 0.0001761700000000, 0.0003159200000000, -0.0000149800000000 ] - [ -0.0000132600000000, 0.0000103200000000, -0.0001770000000000 ] - [ 0.0007768800000000, -0.0016490900000000, 0.0008450200000000 ] - [ 0.0005345700000000, 0.0000747800000000, 0.0001143500000000 ] - [ -0.0049150300000000, 0.0022299000000000, -0.0000972400000000 ] - [ 0.0003072800000000, -0.0018620700000000, -0.0021640100000000 ] - [ 0.0001580300000000, -0.0000470500000000, 0.0001865700000000 ] - [ -0.0001169600000000, -0.0002427100000000, 0.0002047400000000 ] - [ 0.0001191100000000, -0.0000417200000000, -0.0002352900000000 ] - [ -0.0010951800000000, 0.0023085900000000, 0.0008114600000000 ] - [ -0.0003793300000000, 0.0026064500000000, -0.0016274300000000 ] - [ -0.0028149500000000, -0.0000110500000000, 0.0000082900000000 ] - [ 0.0001080800000000, -0.0001366500000000, -0.0001027300000000 ] - [ 0.0000039100000000, 0.0002099400000000, -0.0000482400000000 ] - [ -0.0009467100000000, 0.0000522900000000, 0.0003607100000000 ] - [ 0.0016075700000000, -0.0001629200000000, 0.0017946300000000 ] - [ 0.0000590100000000, 0.0005062400000000, -0.0005484200000000 ] - [ 0.0000685600000000, 0.0000510500000000, 0.0000503600000000 ] - [ -0.0000233700000000, -0.0000426200000000, -0.0000546900000000 ] - [ 0.0003171000000000, 0.0001999500000000, 0.0008492400000000 ] - [ -0.0002724700000000, -0.0006034200000000, -0.0004788800000000 ] - [ -0.0021716000000000, 0.0000812900000000, 0.0012546100000000 ] - [ -0.0008025900000000, 0.0007185100000000, 0.0011921000000000 ] - [ 0.0005357400000000, 0.0001724500000000, -0.0001335500000000 ] - [ 0.0008264200000000, 0.0049090800000000, 0.0012237800000000 ] - [ -0.0001494700000000, 0.0000702600000000, -0.0000442400000000 ] - [ 0.0009629700000000, 0.0001368700000000, 0.0006235100000000 ] - [ -0.0002609100000000, 0.0003746700000000, -0.0004847300000000 ] - [ 0.0020686600000000, 0.0010478600000000, 0.0004550300000000 ] - [ 0.0021441700000000, -0.0000485000000000, -0.0003080200000000 ] - [ -0.0001489000000000, -0.0001797600000000, -0.0002404700000000 ] - [ 0.0000810800000000, -0.0000972100000000, 0.0001138200000000 ] - [ -0.0000050600000000, -0.0001422400000000, -0.0000636800000000 ] - [ 0.0037168600000000, -0.0024210800000000, -0.0016261200000000 ] - [ -0.0001138000000000, -0.0003685000000000, 0.0001626100000000 ] - [ 0.0036440800000000, 0.0017914300000000, -0.0018659800000000 ] - [ -0.0008291200000000, 0.0000444300000000, -0.0001142200000000 ] - [ 0.0004679400000000, 0.0007337100000000, -0.0006386400000000 ] - [ -0.0001916800000000, -0.0002920100000000, 0.0001366000000000 ] - [ 0.0001010100000000, 0.0002599300000000, -0.0002843800000000 ] - [ 0.0004749400000000, 0.0010403800000000, 0.0003704400000000 ] - [ 0.0000011500000000, -0.0000505000000000, 0.0000221900000000 ]- atom: 5 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0018033500000000, -0.0016652700000000, -0.0002838900000000 ] - [ 0.0003905800000000, 0.0001005500000000, -0.0011662300000000 ] - [ -0.0007976500000000, 0.0003219200000000, 0.0011251800000000 ] - [ -0.0001082100000000, -0.0003885300000000, -0.0011662300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0581593100000000 ] - [ -0.0000159600000000, 0.0000821800000000, 0.0008478000000000 ] - [ 0.0001200300000000, -0.0008517400000000, 0.0011251800000000 ] - [ -0.0002823700000000, 0.0002879800000000, -0.0011662300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006222600000000 ] - [ -0.0000631900000000, -0.0000549100000000, 0.0008478000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009796100000000 ] - [ 0.0000791500000000, -0.0000272700000000, 0.0008478000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005013000000000 ] - [ -0.0023438400000000, -0.0007291200000000, -0.0002838900000000 ] - [ 0.0006776200000000, 0.0005298200000000, 0.0011251800000000 ] - [ 0.0005404900000000, 0.0023943800000000, -0.0002838900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015973300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008034100000000 ] - [ -0.0051153400000000, -0.0012830100000000, -0.0000641300000000 ] - [ 0.0036687900000000, -0.0037885100000000, -0.0000641300000000 ] - [ 0.0014465500000000, 0.0050715200000000, -0.0000641300000000 ] - [ -0.0001744900000000, -0.0024519200000000, 0.0024843300000000 ] - [ 0.0022106700000000, 0.0010748500000000, 0.0024843300000000 ] - [ -0.0020361800000000, 0.0013770700000000, 0.0024843300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0022534900000000 ] - [ 0.0001040300000000, 0.0004622400000000, 0.0009595900000000 ] - [ 0.0036555600000000, 0.0033237300000000, -0.0042136700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0025109100000000 ] - [ -0.0004523200000000, -0.0001410300000000, 0.0009595900000000 ] - [ -0.0047062200000000, 0.0015039400000000, -0.0042136700000000 ] - [ -0.0004847600000000, -0.0000100400000000, 0.0001419400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0200487200000000 ] - [ 0.0003482900000000, -0.0003212100000000, 0.0009595900000000 ] - [ 0.0010506600000000, -0.0048276700000000, -0.0042136700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0093390100000000 ] - [ 0.0009108700000000, -0.0001679100000000, 0.0023874700000000 ] - [ -0.0006008500000000, -0.0007048900000000, 0.0023874700000000 ] - [ -0.0003100300000000, 0.0008727900000000, 0.0023874700000000 ] - [ 0.0002510800000000, -0.0004148000000000, 0.0001419400000000 ] - [ 0.0002336900000000, 0.0004248400000000, 0.0001419400000000 ] - [ 0.0000969200000000, 0.0001904600000000, -0.0007871800000000 ] - [ -0.0004422300000000, -0.0001998000000000, -0.0005745100000000 ] - [ 0.0000480900000000, 0.0004828800000000, -0.0005745100000000 ] - [ 0.0005220700000000, 0.0004948900000000, 0.0001709000000000 ] - [ -0.0004743700000000, 0.0001766600000000, 0.0010870400000000 ] - [ -0.0006747900000000, -0.0016055600000000, -0.0027946400000000 ] - [ 0.0003001400000000, -0.0000976400000000, -0.0008808100000000 ] - [ -0.0006896200000000, 0.0002046800000000, 0.0001709000000000 ] - [ -0.0003882000000000, -0.0003249000000000, -0.0000251400000000 ] - [ -0.0004068200000000, 0.0011249500000000, 0.0019197800000000 ] - [ -0.0005575100000000, 0.0006843900000000, -0.0014822300000000 ] - [ -0.0002670900000000, 0.0004672100000000, -0.0002705000000000 ] - [ 0.0000841900000000, -0.0004991400000000, 0.0010870400000000 ] - [ 0.0017278500000000, 0.0002184000000000, -0.0027946400000000 ] - [ -0.0024224300000000, -0.0038614900000000, -0.0057199700000000 ] - [ 0.0014553900000000, -0.0002260200000000, 0.0041804100000000 ] - [ -0.0001830300000000, -0.0007168900000000, 0.0000383300000000 ] - [ 0.0001164800000000, -0.0001791600000000, -0.0007871800000000 ] - [ 0.0010089600000000, -0.0002819900000000, 0.0025339500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0020003700000000 ] - [ -0.0005319600000000, 0.0013734100000000, 0.0041804100000000 ] - [ 0.0004754700000000, -0.0001737400000000, -0.0000251400000000 ] - [ 0.0003941500000000, -0.0002830800000000, -0.0005745100000000 ] - [ -0.0005293300000000, 0.0005169500000000, 0.0000383300000000 ] - [ 0.0008714600000000, 0.0001406200000000, -0.0014822300000000 ] - [ -0.0002602700000000, 0.0010147800000000, 0.0025339500000000 ] - [ -0.0000872700000000, 0.0004986400000000, -0.0000251400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0378065500000000 ] - [ 0.0002975100000000, -0.0005102900000000, -0.0013717100000000 ] - [ 0.0002931700000000, 0.0005128000000000, -0.0013717100000000 ] - [ 0.0045553600000000, -0.0001671500000000, -0.0057199700000000 ] - [ -0.0004347200000000, 0.0000439300000000, -0.0001198300000000 ] - [ 0.0006075800000000, 0.0002821600000000, 0.0005658800000000 ] - [ 0.0004611100000000, 0.0005785600000000, -0.0012241500000000 ] - [ -0.0005906800000000, -0.0000025100000000, -0.0013717100000000 ] - [ -0.0002346300000000, -0.0002111100000000, -0.0008808100000000 ] - [ 0.0001793200000000, -0.0003984400000000, -0.0001198300000000 ] - [ -0.0010530600000000, 0.0013871600000000, -0.0027946400000000 ] - [ -0.0009234300000000, -0.0011473900000000, 0.0041804100000000 ] - [ 0.0007123600000000, 0.0001999400000000, 0.0000383300000000 ] - [ -0.0007708200000000, -0.0009147900000000, 0.0019197800000000 ] - [ -0.0007316000000000, 0.0001100500000000, -0.0012241500000000 ] - [ -0.0005481500000000, 0.0003851000000000, 0.0005658800000000 ] - [ -0.0021329300000000, 0.0040286300000000, -0.0057199700000000 ] - [ 0.0003901800000000, 0.0003224800000000, 0.0010870400000000 ] - [ 0.0005381600000000, -0.0000023000000000, -0.0002705000000000 ] - [ -0.0003139500000000, -0.0008250100000000, -0.0014822300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014277300000000 ] - [ 0.0002704900000000, -0.0006886100000000, -0.0012241500000000 ] - [ 0.0011776400000000, -0.0002101600000000, 0.0019197800000000 ] - [ 0.0001675500000000, -0.0006995700000000, 0.0001709000000000 ] - [ -0.0007486900000000, -0.0007327900000000, 0.0025339500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0032843500000000 ] - [ 0.0002554000000000, 0.0003545100000000, -0.0001198300000000 ] - [ -0.0000594300000000, -0.0006672600000000, 0.0005658800000000 ] - [ -0.0000655100000000, 0.0003087500000000, -0.0008808100000000 ] - [ -0.0002710700000000, -0.0004649100000000, -0.0002705000000000 ] - [ -0.0002134000000000, -0.0000113000000000, -0.0007871800000000 ]- atom: 5 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0019698600000000, 0.0018616300000000, 0.0002863400000000 ] - [ -0.0003101000000000, 0.0001279100000000, 0.0011922500000000 ] - [ 0.0005524600000000, -0.0002698900000000, -0.0011325900000000 ] - [ 0.0002658200000000, 0.0002046000000000, 0.0011922500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0606102500000000 ] - [ -0.0000613900000000, 0.0001493800000000, -0.0008295000000000 ] - [ -0.0000425000000000, 0.0006133900000000, -0.0011325900000000 ] - [ 0.0000442800000000, -0.0003325100000000, 0.0011922500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005595800000000 ] - [ -0.0000986700000000, -0.0001278600000000, -0.0008295000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009911000000000 ] - [ 0.0001600600000000, -0.0000215300000000, -0.0008295000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005702700000000 ] - [ 0.0025971400000000, 0.0007751300000000, 0.0002863400000000 ] - [ -0.0005099600000000, -0.0003435000000000, -0.0011325900000000 ] - [ -0.0006272900000000, -0.0026367600000000, 0.0002863400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016634400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008010000000000 ] - [ 0.0049286100000000, 0.0015495000000000, 0.0000199000000000 ] - [ -0.0038062100000000, 0.0034935500000000, 0.0000199000000000 ] - [ -0.0011224000000000, -0.0050430500000000, 0.0000199000000000 ] - [ -0.0001586200000000, 0.0024627500000000, -0.0024830600000000 ] - [ -0.0020534900000000, -0.0013687400000000, -0.0024830600000000 ] - [ 0.0022121100000000, -0.0010940100000000, -0.0024830600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0019237100000000 ] - [ -0.0002989400000000, -0.0003950200000000, -0.0012743800000000 ] - [ -0.0035625600000000, -0.0035005700000000, 0.0045047300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0028565500000000 ] - [ 0.0004915700000000, -0.0000613800000000, -0.0012743800000000 ] - [ 0.0048128600000000, -0.0013349900000000, 0.0045047300000000 ] - [ 0.0004447600000000, -0.0001885100000000, -0.0004252900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0206058100000000 ] - [ -0.0001926300000000, 0.0004564000000000, -0.0012743800000000 ] - [ -0.0012503000000000, 0.0048355600000000, 0.0045047300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0095649000000000 ] - [ -0.0010676500000000, 0.0000349800000000, -0.0020874500000000 ] - [ 0.0005641200000000, 0.0009071200000000, -0.0020874500000000 ] - [ 0.0005035300000000, -0.0009421000000000, -0.0020874500000000 ] - [ -0.0000591300000000, 0.0004794300000000, -0.0004252900000000 ] - [ -0.0003856400000000, -0.0002909200000000, -0.0004252900000000 ] - [ -0.0001374800000000, -0.0001160100000000, 0.0007893900000000 ] - [ 0.0003146400000000, -0.0000043300000000, 0.0009512200000000 ] - [ -0.0001610700000000, -0.0002703200000000, 0.0009512200000000 ] - [ -0.0001620900000000, -0.0004099300000000, 0.0003041600000000 ] - [ 0.0006074200000000, -0.0003841700000000, -0.0007130300000000 ] - [ 0.0007739000000000, 0.0013600500000000, 0.0024109700000000 ] - [ -0.0003133000000000, -0.0001645000000000, 0.0010025000000000 ] - [ 0.0004360500000000, 0.0000646000000000, 0.0003041600000000 ] - [ 0.0004438400000000, 0.0003998500000000, 0.0000535500000000 ] - [ 0.0003720800000000, -0.0014071400000000, -0.0019494900000000 ] - [ 0.0004566700000000, -0.0003290000000000, 0.0010160600000000 ] - [ 0.0000525600000000, -0.0006287600000000, 0.0003295600000000 ] - [ 0.0000289900000000, 0.0007181300000000, -0.0007130300000000 ] - [ -0.0015647900000000, -0.0000098100000000, 0.0024109700000000 ] - [ 0.0026693800000000, 0.0038807700000000, 0.0053742700000000 ] - [ -0.0018463400000000, 0.0002002400000000, -0.0046332100000000 ] - [ 0.0003945000000000, 0.0005515900000000, 0.0000113000000000 ] - [ -0.0000317300000000, 0.0001770600000000, 0.0007893900000000 ] - [ -0.0010297000000000, 0.0005427100000000, -0.0026519700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0017862900000000 ] - [ 0.0007497500000000, -0.0016991000000000, -0.0046332100000000 ] - [ -0.0005682000000000, 0.0001844500000000, 0.0000535500000000 ] - [ -0.0001535700000000, 0.0002746500000000, 0.0009512200000000 ] - [ 0.0002804500000000, -0.0006174400000000, 0.0000113000000000 ] - [ -0.0005132600000000, -0.0002309900000000, 0.0010160600000000 ] - [ 0.0000448500000000, -0.0011631000000000, -0.0026519700000000 ] - [ 0.0001243700000000, -0.0005843000000000, 0.0000535500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0408380800000000 ] - [ -0.0000829800000000, 0.0003735700000000, 0.0012687700000000 ] - [ -0.0002820300000000, -0.0002586500000000, 0.0012687700000000 ] - [ -0.0046955300000000, 0.0003713700000000, 0.0053742700000000 ] - [ 0.0006912000000000, 0.0002261000000000, 0.0006071400000000 ] - [ -0.0005983000000000, -0.0005399900000000, -0.0004580500000000 ] - [ -0.0002533000000000, -0.0004113700000000, 0.0011840100000000 ] - [ 0.0003650100000000, -0.0001149200000000, 0.0012687700000000 ] - [ 0.0000141900000000, 0.0003535700000000, 0.0010025000000000 ] - [ -0.0005414100000000, 0.0004855500000000, 0.0006071400000000 ] - [ 0.0007908900000000, -0.0013502400000000, 0.0024109700000000 ] - [ 0.0010965900000000, 0.0014988600000000, -0.0046332100000000 ] - [ -0.0006749400000000, 0.0000658500000000, 0.0000113000000000 ] - [ 0.0010325800000000, 0.0010258000000000, -0.0019494900000000 ] - [ 0.0004829100000000, -0.0000136800000000, 0.0011840100000000 ] - [ 0.0007667900000000, -0.0002481500000000, -0.0004580500000000 ] - [ 0.0020261500000000, -0.0042521300000000, 0.0053742700000000 ] - [ -0.0006364100000000, -0.0003339600000000, -0.0007130300000000 ] - [ -0.0005708000000000, 0.0002688600000000, 0.0003295600000000 ] - [ 0.0000565900000000, 0.0005599900000000, 0.0010160600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016568200000000 ] - [ -0.0002296100000000, 0.0004250500000000, 0.0011840100000000 ] - [ -0.0014046600000000, 0.0003813400000000, -0.0019494900000000 ] - [ -0.0002739700000000, 0.0003453400000000, 0.0003041600000000 ] - [ 0.0009848500000000, 0.0006203900000000, -0.0026519700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0030535900000000 ] - [ -0.0001497900000000, -0.0007116500000000, 0.0006071400000000 ] - [ -0.0001684900000000, 0.0007881400000000, -0.0004580500000000 ] - [ 0.0002991100000000, -0.0001890800000000, 0.0010025000000000 ] - [ 0.0005182400000000, 0.0003598900000000, 0.0003295600000000 ] - [ 0.0001692100000000, -0.0000610500000000, 0.0007893900000000 ]- atom: 11 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0046244600000000, -0.0020528300000000, -0.0024730200000000 ] - [ -0.0021052400000000, -0.0014973300000000, 0.0008404900000000 ] - [ -0.0001478500000000, -0.0001648800000000, 0.0000294000000000 ] - [ 0.0047538600000000, -0.0022054400000000, -0.0024264600000000 ] - [ 0.0007445900000000, -0.0005262900000000, -0.0000189200000000 ] - [ -0.0002358600000000, 0.0001902700000000, -0.0000390100000000 ] - [ -0.0001759800000000, -0.0000390100000000, -0.0000716500000000 ] - [ 0.0015931200000000, 0.0040423800000000, 0.0016125400000000 ] - [ 0.0001414200000000, 0.0001509900000000, 0.0000219100000000 ] - [ 0.0000346800000000, 0.0000108100000000, 0.0000300200000000 ] - [ -0.0055582500000000, 0.0000019700000000, -0.0000018300000000 ] - [ 0.0000936600000000, -0.0002481100000000, 0.0000653000000000 ] - [ 0.0007326200000000, -0.0005278300000000, 0.0000299300000000 ] - [ 0.0018223600000000, 0.0040434100000000, 0.0016035100000000 ] - [ 0.0001904000000000, 0.0001910700000000, 0.0000155300000000 ] - [ -0.0021825600000000, -0.0017461100000000, 0.0008391400000000 ] - [ 0.0001394900000000, 0.0001372100000000, -0.0000235600000000 ] - [ -0.0003619700000000, 0.0000087700000000, -0.0000004900000000 ] - [ 0.0003141700000000, -0.0021475100000000, 0.0009338300000000 ] - [ -0.0003759500000000, 0.0013730400000000, -0.0005809000000000 ] - [ 0.0035024100000000, 0.0002107800000000, -0.0003512100000000 ] - [ 0.0031764600000000, 0.0002059600000000, -0.0003591300000000 ] - [ 0.0004758800000000, -0.0024232500000000, 0.0009298600000000 ] - [ -0.0002033300000000, 0.0016565700000000, -0.0005777100000000 ] - [ 0.0006969500000000, -0.0002663200000000, 0.0001676200000000 ] - [ -0.0013216200000000, 0.0010225300000000, -0.0015543200000000 ] - [ 0.0035806100000000, 0.0024347000000000, -0.0066529100000000 ] - [ 0.0014654600000000, -0.0001449100000000, 0.0001670900000000 ] - [ 0.0009118600000000, 0.0018258200000000, 0.0023184500000000 ] - [ 0.0047568900000000, -0.0069601600000000, 0.0122218700000000 ] - [ 0.0046886800000000, -0.0071223800000000, 0.0118632500000000 ] - [ 0.0014713700000000, -0.0001589400000000, -0.0001676500000000 ] - [ 0.0007195600000000, -0.0003025200000000, -0.0012176200000000 ] - [ -0.0042786900000000, -0.0033805400000000, -0.0051162900000000 ] - [ 0.0007045800000000, -0.0002797700000000, -0.0001677500000000 ] - [ 0.0005663100000000, -0.0004465800000000, -0.0009071800000000 ] - [ 0.0008787800000000, 0.0019988400000000, 0.0026101200000000 ] - [ -0.0011020500000000, 0.0009514000000000, -0.0012508300000000 ] - [ -0.0040917700000000, -0.0032828700000000, -0.0053819600000000 ] - [ 0.0033821600000000, 0.0026231000000000, -0.0069357300000000 ] - [ -0.0001174100000000, 0.0002336200000000, 0.0017412600000000 ] - [ -0.0005342600000000, 0.0002900000000000, -0.0001205500000000 ] - [ -0.0006632800000000, 0.0000814100000000, 0.0002180800000000 ] - [ -0.0044018800000000, 0.0014179500000000, -0.0024617700000000 ] - [ -0.0004704100000000, -0.0009699100000000, -0.0001223100000000 ] - [ -0.0005576300000000, -0.0001312400000000, -0.0001649300000000 ] - [ -0.0000145900000000, -0.0002593100000000, -0.0007067400000000 ] - [ -0.0005352700000000, 0.0026593200000000, 0.0016818000000000 ] - [ 0.0009267700000000, -0.0004735100000000, 0.0025218000000000 ] - [ 0.0024523500000000, -0.0003350400000000, 0.0003714100000000 ] - [ -0.0003230000000000, 0.0004501900000000, -0.0000797500000000 ] - [ 0.0000828500000000, -0.0008960400000000, -0.0001596600000000 ] - [ -0.0011146000000000, 0.0005148200000000, 0.0004867900000000 ] - [ -0.0004076600000000, 0.0004830800000000, -0.0005175300000000 ] - [ 0.0003661500000000, 0.0003205400000000, -0.0001781500000000 ] - [ -0.0047790300000000, 0.0013374800000000, -0.0029240000000000 ] - [ 0.0001561500000000, 0.0038086400000000, -0.0026319600000000 ] - [ -0.0001585600000000, -0.0010259100000000, -0.0042540400000000 ] - [ -0.0060768500000000, 0.0025347000000000, -0.0067415600000000 ] - [ -0.0007680000000000, 0.0001272300000000, 0.0001181600000000 ] - [ -0.0002993200000000, 0.0024000400000000, 0.0012458700000000 ] - [ -0.0002446200000000, -0.0010332400000000, -0.0042808700000000 ] - [ -0.0000657500000000, 0.0000510700000000, 0.0004812900000000 ] - [ -0.0023948900000000, -0.0003239400000000, 0.0022843500000000 ] - [ -0.0005228000000000, -0.0004713900000000, -0.0005974300000000 ] - [ 0.0026083100000000, 0.0047779000000000, 0.0031599400000000 ] - [ -0.0000778900000000, 0.0001529300000000, 0.0017508100000000 ] - [ -0.0007681100000000, 0.0001316400000000, -0.0001178000000000 ] - [ 0.0003377700000000, -0.0002174600000000, 0.0003200700000000 ] - [ -0.0000053800000000, 0.0000078600000000, -0.0008153600000000 ] - [ -0.0006147000000000, -0.0007672000000000, -0.0004989000000000 ] - [ 0.0002566400000000, -0.0003261400000000, 0.0004560200000000 ] - [ -0.0061681900000000, 0.0022762000000000, -0.0066455200000000 ] - [ 0.0002658700000000, -0.0007142200000000, -0.0001879800000000 ] - [ 0.0000316700000000, 0.0000146400000000, 0.0003330200000000 ] - [ 0.0001385800000000, -0.0001058900000000, 0.0004217500000000 ] - [ -0.0008842600000000, -0.0003946600000000, -0.0001504000000000 ] - [ -0.0003092800000000, 0.0000764000000000, 0.0001042100000000 ] - [ -0.0014636200000000, -0.0014857300000000, 0.0010047700000000 ] - [ 0.0025098200000000, -0.0000892800000000, 0.0003973000000000 ] - [ -0.0021844000000000, -0.0001883400000000, 0.0022473700000000 ] - [ -0.0003390000000000, 0.0002001300000000, 0.0003160500000000 ] - [ 0.0028852300000000, 0.0048803100000000, 0.0032433200000000 ] - [ -0.0012191000000000, 0.0003032900000000, 0.0001014100000000 ] - [ 0.0001352200000000, 0.0003001200000000, 0.0002114100000000 ] - [ 0.0008112800000000, 0.0001334000000000, -0.0001528000000000 ] - [ 0.0000013100000000, -0.0005859200000000, 0.0000022600000000 ] - [ -0.0001859600000000, -0.0000179300000000, 0.0001165300000000 ] - [ 0.0008052100000000, -0.0001045200000000, -0.0001676300000000 ] - [ -0.0000386300000000, 0.0039876000000000, -0.0026700000000000 ] - [ -0.0015518000000000, -0.0018335300000000, 0.0014501700000000 ] - [ 0.0004744400000000, -0.0041321600000000, 0.0034485800000000 ] - [ -0.0001850100000000, -0.0000167000000000, -0.0001192400000000 ] - [ -0.0002133200000000, 0.0001019800000000, 0.0003665500000000 ] - [ 0.0003423200000000, -0.0039957900000000, 0.0035313000000000 ] - [ 0.0002621200000000, 0.0001295700000000, 0.0004434400000000 ] - [ -0.0000982500000000, 0.0001033000000000, 0.0003496600000000 ] - [ 0.0008850000000000, -0.0005483800000000, 0.0025164100000000 ]- atom: 11 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0022799300000000, 0.0002095100000000, -0.0023921400000000 ] - [ 0.0010440600000000, -0.0018412100000000, -0.0024146600000000 ] - [ -0.0002162900000000, 0.0000057700000000, 0.0009384300000000 ] - [ -0.0021165600000000, 0.0000164300000000, -0.0024146600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010197600000000 ] - [ 0.0000326000000000, 0.0000497600000000, 0.0009594800000000 ] - [ 0.0001031500000000, -0.0001902000000000, 0.0009384300000000 ] - [ 0.0010725100000000, 0.0018247800000000, -0.0024146600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008160400000000 ] - [ -0.0000593900000000, 0.0000033500000000, 0.0009594800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0138232600000000 ] - [ 0.0000267900000000, -0.0000531100000000, 0.0009594800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009707400000000 ] - [ 0.0013214100000000, 0.0018697200000000, -0.0023921400000000 ] - [ 0.0001131400000000, 0.0001844300000000, 0.0009384300000000 ] - [ 0.0009585200000000, -0.0020792300000000, -0.0023921400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007656400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010586800000000 ] - [ -0.0005478200000000, -0.0004742900000000, 0.0013821900000000 ] - [ 0.0006846500000000, -0.0002372800000000, 0.0013821900000000 ] - [ -0.0001368400000000, 0.0007115700000000, 0.0013821900000000 ] - [ -0.0004673500000000, 0.0007121600000000, 0.0013864200000000 ] - [ -0.0003830800000000, -0.0007608200000000, 0.0013864200000000 ] - [ 0.0008504300000000, 0.0000486600000000, 0.0013864200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0025138000000000 ] - [ 0.0001760200000000, -0.0008246600000000, 0.0031106700000000 ] - [ -0.0044790600000000, -0.0026863600000000, 0.0047338600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0026971100000000 ] - [ 0.0006261700000000, 0.0005647700000000, 0.0031106700000000 ] - [ 0.0045659900000000, -0.0025358000000000, 0.0047338600000000 ] - [ 0.0044882600000000, -0.0027550400000000, 0.0044768600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0030185000000000 ] - [ -0.0008021900000000, 0.0002598900000000, 0.0031106700000000 ] - [ -0.0000869300000000, 0.0052221600000000, 0.0047338600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0021855500000000 ] - [ -0.0009560800000000, 0.0001225300000000, 0.0033966800000000 ] - [ 0.0005841600000000, 0.0007667300000000, 0.0033966800000000 ] - [ 0.0003719300000000, -0.0008892600000000, 0.0033966800000000 ] - [ 0.0001418000000000, 0.0052644700000000, 0.0044768600000000 ] - [ -0.0046300600000000, -0.0025094300000000, 0.0044768600000000 ] - [ 0.0009222700000000, -0.0003108700000000, -0.0020852500000000 ] - [ -0.0005154700000000, -0.0001703100000000, -0.0008142900000000 ] - [ 0.0001102500000000, 0.0005315700000000, -0.0008142900000000 ] - [ -0.0013621800000000, 0.0004452800000000, -0.0006850700000000 ] - [ -0.0006113000000000, -0.0001853300000000, 0.0007734800000000 ] - [ 0.0002201900000000, 0.0003138200000000, -0.0011824800000000 ] - [ 0.0001605000000000, 0.0000875100000000, -0.0015065800000000 ] - [ 0.0002954700000000, -0.0014023200000000, -0.0006850700000000 ] - [ -0.0001447300000000, 0.0010337800000000, -0.0020786700000000 ] - [ -0.0010061200000000, -0.0015431700000000, -0.0006761400000000 ] - [ 0.0002959900000000, 0.0001560900000000, -0.0009785700000000 ] - [ -0.0002024300000000, -0.0001208400000000, -0.0008591400000000 ] - [ 0.0004661500000000, -0.0004367400000000, 0.0007734800000000 ] - [ -0.0003818700000000, 0.0000337800000000, -0.0011824800000000 ] - [ 0.0003863700000000, 0.0006359600000000, 0.0004008500000000 ] - [ -0.0017154100000000, 0.0003516400000000, -0.0011460200000000 ] - [ -0.0006109900000000, 0.0014813700000000, -0.0006384700000000 ] - [ -0.0007303600000000, -0.0006432700000000, -0.0020852500000000 ] - [ -0.0050595200000000, 0.0010696500000000, 0.0016286600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0024470500000000 ] - [ 0.0005531800000000, -0.0016614000000000, -0.0011460200000000 ] - [ -0.0008229100000000, -0.0006422300000000, -0.0020786700000000 ] - [ 0.0004052300000000, -0.0003612600000000, -0.0008142900000000 ] - [ 0.0015884000000000, -0.0002115600000000, -0.0006384700000000 ] - [ -0.0000128200000000, -0.0003343800000000, -0.0009785700000000 ] - [ 0.0016034100000000, -0.0049165000000000, 0.0016286600000000 ] - [ 0.0009676500000000, -0.0003915500000000, -0.0020786700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0022200000000000 ] - [ 0.0002040800000000, -0.0003153900000000, -0.0016061400000000 ] - [ 0.0001710900000000, 0.0003344300000000, -0.0016061400000000 ] - [ -0.0007439400000000, 0.0000166300000000, 0.0004008500000000 ] - [ -0.0000259500000000, 0.0004494300000000, -0.0005067800000000 ] - [ -0.0050759300000000, 0.0008312500000000, 0.0016633400000000 ] - [ 0.0000120700000000, 0.0000425300000000, -0.0009023500000000 ] - [ -0.0003751800000000, -0.0000190500000000, -0.0016061400000000 ] - [ -0.0000044700000000, -0.0001827500000000, -0.0015065800000000 ] - [ -0.0003762400000000, -0.0002471800000000, -0.0005067800000000 ] - [ 0.0001616800000000, -0.0003475900000000, -0.0011824800000000 ] - [ 0.0011622300000000, 0.0013097700000000, -0.0011460200000000 ] - [ -0.0009774100000000, -0.0012698200000000, -0.0006384700000000 ] - [ 0.0018394900000000, -0.0000997400000000, -0.0006761400000000 ] - [ -0.0000428700000000, -0.0000108100000000, -0.0009023500000000 ] - [ 0.0018180800000000, -0.0048115100000000, 0.0016633400000000 ] - [ 0.0003575700000000, -0.0006525900000000, 0.0004008500000000 ] - [ 0.0001451500000000, 0.0006220700000000, 0.0007734800000000 ] - [ -0.0000034300000000, 0.0002357300000000, -0.0008591400000000 ] - [ -0.0002831700000000, 0.0001782900000000, -0.0009785700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016925800000000 ] - [ 0.0000308000000000, -0.0000317200000000, -0.0009023500000000 ] - [ -0.0008333700000000, 0.0016429100000000, -0.0006761400000000 ] - [ 0.0010667100000000, 0.0009570400000000, -0.0006850700000000 ] - [ 0.0034561100000000, 0.0038468500000000, 0.0016286600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0019192600000000 ] - [ 0.0004021900000000, -0.0002022400000000, -0.0005067800000000 ] - [ 0.0032578500000000, 0.0039802600000000, 0.0016633400000000 ] - [ -0.0001560300000000, 0.0000952500000000, -0.0015065800000000 ] - [ 0.0002058600000000, -0.0001148900000000, -0.0008591400000000 ] - [ -0.0001919100000000, 0.0009541500000000, -0.0020852500000000 ]- atom: 19 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0004730200000000, 0.0002928100000000, -0.0000475600000000 ] - [ -0.0009629100000000, -0.0049813100000000, 0.0069745200000000 ] - [ -0.0097159500000000, -0.0001929800000000, 0.0001942600000000 ] - [ -0.0028684300000000, -0.0004226400000000, 0.0004167000000000 ] - [ 0.0062862600000000, 0.0048019900000000, -0.0050768600000000 ] - [ 0.0003982100000000, 0.0003142500000000, -0.0023290200000000 ] - [ 0.0011762100000000, -0.0020619500000000, 0.0012693100000000 ] - [ 0.0030260700000000, 0.0000454800000000, -0.0002544700000000 ] - [ 0.0006401600000000, 0.0053825800000000, -0.0036931800000000 ] - [ 0.0000487000000000, 0.0001009200000000, 0.0001603100000000 ] - [ 0.0003998300000000, -0.0019115400000000, -0.0004651100000000 ] - [ -0.0004013700000000, -0.0002434600000000, 0.0003943700000000 ] - [ -0.0000973500000000, 0.0000634100000000, 0.0021632800000000 ] - [ 0.0009542500000000, -0.0001810500000000, 0.0006384600000000 ] - [ 0.0030997000000000, -0.0001122400000000, 0.0005466500000000 ] - [ 0.0001586900000000, -0.0003393000000000, -0.0023662000000000 ] - [ -0.0000336400000000, 0.0000840900000000, 0.0020966000000000 ] - [ -0.0002896800000000, -0.0018883000000000, -0.0007680300000000 ] - [ -0.1605321400000000, 0.0035929300000000, 0.0024186700000000 ] - [ 0.0183139400000000, 0.0009211800000000, -0.0004449600000000 ] - [ 0.0021394900000000, 0.0084002600000000, -0.0057685600000000 ] - [ -0.0002488800000000, 0.0009615800000000, 0.0001167500000000 ] - [ -0.0013779600000000, -0.0001488700000000, 0.0001336700000000 ] - [ 0.0015912100000000, 0.0001010200000000, 0.0002633500000000 ] - [ -0.0002167300000000, 0.0005521200000000, -0.0015426900000000 ] - [ 0.0419465200000000, -0.0096122700000000, -0.0073021900000000 ] - [ 0.0113555900000000, -0.0011861100000000, 0.0058467800000000 ] - [ 0.0154928400000000, 0.0348965000000000, 0.0111294300000000 ] - [ -0.0000235100000000, 0.0015910600000000, -0.0007952500000000 ] - [ -0.0056993300000000, 0.0039402800000000, -0.0047646200000000 ] - [ -0.0012662200000000, -0.0000891700000000, -0.0003603200000000 ] - [ 0.0002436200000000, 0.0004763700000000, -0.0032142600000000 ] - [ -0.0076087800000000, -0.0060392700000000, 0.0094601400000000 ] - [ 0.0180434900000000, -0.0383190000000000, -0.0041106200000000 ] - [ 0.0382379900000000, 0.0029823700000000, 0.0150495200000000 ] - [ -0.0027228000000000, 0.0002908800000000, -0.0006460500000000 ] - [ 0.0013462200000000, 0.0001779000000000, -0.0000758500000000 ] - [ 0.0004318000000000, -0.0007379900000000, 0.0008844900000000 ] - [ -0.0001602300000000, -0.0002097600000000, 0.0010587000000000 ] - [ 0.0018707900000000, 0.0003886900000000, -0.0005012700000000 ] - [ 0.0004153000000000, 0.0000902400000000, -0.0002145500000000 ] - [ 0.0006497800000000, -0.0001344400000000, 0.0005398400000000 ] - [ -0.0003207500000000, -0.0004758300000000, 0.0006168700000000 ] - [ 0.0006469800000000, -0.0005195000000000, -0.0002331200000000 ] - [ -0.0107698700000000, -0.0054980800000000, 0.0007831600000000 ] - [ -0.0092450900000000, -0.0065148600000000, 0.0012494800000000 ] - [ 0.0016624100000000, -0.0004523700000000, -0.0000426800000000 ] - [ 0.0005488300000000, 0.0001699700000000, -0.0003873600000000 ] - [ -0.0088496800000000, 0.0034214500000000, -0.0068385300000000 ] - [ -0.0116831000000000, 0.0045161000000000, 0.0000464500000000 ] - [ 0.0011412000000000, -0.0002245100000000, -0.0004325400000000 ] - [ -0.0024518200000000, 0.0001953300000000, 0.0001425500000000 ] - [ 0.0024509700000000, -0.0120092400000000, 0.0024116500000000 ] - [ 0.0175350600000000, 0.0118882900000000, 0.0108986800000000 ] - [ 0.0004647900000000, 0.0000940100000000, 0.0006536900000000 ] - [ 0.0019109200000000, -0.0037127100000000, 0.0021116800000000 ] - [ 0.0007817600000000, 0.0001571800000000, 0.0003382100000000 ] - [ -0.0000109100000000, -0.0000014700000000, 0.0000301900000000 ] - [ -0.0002847400000000, 0.0008228700000000, 0.0004246300000000 ] - [ -0.0031150200000000, -0.0072858200000000, -0.0098236000000000 ] - [ 0.0283685800000000, -0.0018089600000000, -0.0193537900000000 ] - [ 0.0011323600000000, 0.0000954200000000, 0.0003093500000000 ] - [ -0.0001471900000000, -0.0001333200000000, 0.0006469000000000 ] - [ -0.0006486600000000, -0.0000376600000000, 0.0000222900000000 ] - [ -0.0003133800000000, -0.0005717800000000, -0.0006481100000000 ] - [ -0.0004713700000000, 0.0108773700000000, 0.0056788300000000 ] - [ 0.0030127300000000, 0.0076196400000000, -0.0080926100000000 ] - [ -0.0009265300000000, -0.0012487600000000, 0.0029565500000000 ] - [ -0.0000973800000000, 0.0003279100000000, -0.0003950000000000 ] - [ -0.0005991400000000, 0.0005500900000000, 0.0002801600000000 ] - [ -0.0011581800000000, 0.0001236400000000, 0.0005527900000000 ] - [ -0.0118127900000000, -0.0037753600000000, -0.0000160900000000 ] - [ 0.0005342100000000, 0.0003793100000000, 0.0003792900000000 ] - [ -0.0006194600000000, 0.0002143400000000, 0.0003242400000000 ] - [ 0.0015520600000000, 0.0003636800000000, 0.0016712300000000 ] - [ -0.0094434000000000, 0.0048103300000000, 0.0057502900000000 ] - [ -0.0006419600000000, -0.0020898400000000, 0.0009269700000000 ] - [ -0.0118853200000000, 0.0042181500000000, -0.0006514700000000 ] - [ -0.0059990900000000, -0.0017104700000000, -0.0004624100000000 ] - [ -0.0002462200000000, 0.0002101400000000, -0.0005104600000000 ] - [ -0.0023510900000000, 0.0010702400000000, -0.0000088600000000 ] - [ 0.0007362500000000, 0.0002801700000000, 0.0000809900000000 ] - [ 0.0005316700000000, 0.0005909900000000, -0.0007438700000000 ] - [ 0.0003655300000000, -0.0008764300000000, 0.0005694500000000 ] - [ 0.0283699100000000, 0.0003261000000000, 0.0156686600000000 ] - [ 0.0138833100000000, -0.0082977100000000, -0.0125515300000000 ] - [ -0.0006916300000000, 0.0001512100000000, -0.0007793400000000 ] - [ 0.0002072300000000, -0.0011315900000000, 0.0017247600000000 ] - [ 0.0001153400000000, 0.0000701800000000, -0.0003515000000000 ] - [ 0.0111196400000000, -0.0032853500000000, 0.0042808000000000 ] - [ -0.0010999200000000, -0.0004021700000000, -0.0001112000000000 ] - [ -0.0024187400000000, 0.0017877700000000, -0.0018161500000000 ] - [ -0.0065263700000000, 0.0000098800000000, -0.0093289500000000 ] - [ 0.0123379900000000, 0.0037462300000000, -0.0048410500000000 ] - [ -0.0014293400000000, 0.0002049800000000, 0.0009756900000000 ] - [ 0.0024265700000000, 0.0002547400000000, -0.0008922500000000 ] - [ 0.0012498000000000, 0.0007267300000000, 0.0001079800000000 ] - [ -0.0003957200000000, 0.0001521000000000, -0.0003161400000000 ]- atom: 19 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0002954300000000, -0.0001040800000000, 0.0000425300000000 ] - [ 0.0010980600000000, 0.0052267000000000, -0.0070011200000000 ] - [ 0.0094723600000000, 0.0002254700000000, -0.0002264400000000 ] - [ 0.0030444100000000, 0.0002385500000000, -0.0004014600000000 ] - [ -0.0062475700000000, -0.0047726700000000, 0.0049577000000000 ] - [ -0.0004853800000000, -0.0000892800000000, 0.0023314200000000 ] - [ -0.0010885000000000, 0.0018323200000000, -0.0012529800000000 ] - [ -0.0032632500000000, -0.0000854100000000, 0.0002487600000000 ] - [ -0.0006237300000000, -0.0054033900000000, 0.0037877400000000 ] - [ -0.0001970100000000, -0.0002905800000000, -0.0001523300000000 ] - [ -0.0003910300000000, 0.0019088200000000, 0.0004650000000000 ] - [ 0.0006514800000000, 0.0001918300000000, -0.0003936700000000 ] - [ 0.0000870200000000, -0.0000706400000000, -0.0020982400000000 ] - [ -0.0007266800000000, 0.0002242800000000, -0.0006588400000000 ] - [ -0.0029526400000000, 0.0003078500000000, -0.0005530600000000 ] - [ -0.0002517600000000, 0.0001133700000000, 0.0023599300000000 ] - [ 0.0000316600000000, -0.0000968200000000, -0.0021608300000000 ] - [ 0.0002881400000000, 0.0018904500000000, 0.0007672700000000 ] - [ 0.1602231800000000, -0.0031719800000000, -0.0017236200000000 ] - [ -0.0184949200000000, -0.0012711400000000, 0.0004151500000000 ] - [ -0.0017925100000000, -0.0083874400000000, 0.0057858700000000 ] - [ -0.0000972700000000, -0.0009630700000000, -0.0001163100000000 ] - [ 0.0015474600000000, -0.0001498100000000, -0.0001399000000000 ] - [ -0.0014149800000000, 0.0002008900000000, -0.0002644600000000 ] - [ 0.0002092100000000, -0.0005503700000000, 0.0018706800000000 ] - [ -0.0422856300000000, 0.0098638000000000, 0.0072491500000000 ] - [ -0.0112171400000000, 0.0010587600000000, -0.0055841200000000 ] - [ -0.0155872200000000, -0.0349385300000000, -0.0108996700000000 ] - [ 0.0000492100000000, -0.0018025400000000, 0.0004591000000000 ] - [ 0.0056118600000000, -0.0038888100000000, 0.0050624300000000 ] - [ 0.0012113700000000, -0.0001032100000000, 0.0000476600000000 ] - [ -0.0002372900000000, -0.0004780600000000, 0.0028796700000000 ] - [ 0.0076004000000000, 0.0062928800000000, -0.0097457200000000 ] - [ -0.0181354100000000, 0.0381665100000000, 0.0043263500000000 ] - [ -0.0381674400000000, -0.0028113100000000, -0.0151968800000000 ] - [ 0.0025834500000000, -0.0004292600000000, 0.0009551100000000 ] - [ -0.0013830300000000, 0.0000041900000000, 0.0003803400000000 ] - [ -0.0002197300000000, 0.0006700300000000, -0.0005826800000000 ] - [ 0.0003377300000000, 0.0002736100000000, -0.0013622200000000 ] - [ -0.0020307100000000, -0.0002405100000000, 0.0001976800000000 ] - [ -0.0004428300000000, -0.0000382800000000, 0.0002134200000000 ] - [ -0.0007713400000000, -0.0000671800000000, -0.0001572700000000 ] - [ 0.0002111600000000, 0.0006715500000000, -0.0002318600000000 ] - [ -0.0002809300000000, 0.0005914600000000, 0.0006866100000000 ] - [ 0.0108800100000000, 0.0053106400000000, -0.0003768400000000 ] - [ 0.0093852300000000, 0.0062968700000000, -0.0016384200000000 ] - [ -0.0016807300000000, 0.0001767400000000, 0.0001746600000000 ] - [ -0.0007946400000000, 0.0001053700000000, 0.0008429900000000 ] - [ 0.0089040400000000, -0.0033889200000000, 0.0068376900000000 ] - [ 0.0116715300000000, -0.0047648100000000, -0.0000503100000000 ] - [ -0.0012542100000000, 0.0005837700000000, -0.0000268400000000 ] - [ 0.0022577200000000, -0.0003295000000000, -0.0001178000000000 ] - [ -0.0023451500000000, 0.0122425700000000, -0.0020375400000000 ] - [ -0.0164149800000000, -0.0108445600000000, -0.0102178000000000 ] - [ -0.0002282600000000, -0.0000874000000000, -0.0010226700000000 ] - [ -0.0022163000000000, 0.0036254700000000, -0.0025513100000000 ] - [ -0.0005661000000000, -0.0003186000000000, -0.0002917900000000 ] - [ 0.0000679400000000, 0.0000037700000000, -0.0000285900000000 ] - [ 0.0002725700000000, -0.0004936900000000, -0.0005774500000000 ] - [ 0.0031248400000000, 0.0072817200000000, 0.0100667800000000 ] - [ -0.0267096400000000, 0.0006149300000000, 0.0175135200000000 ] - [ -0.0011789500000000, -0.0000580800000000, -0.0002702900000000 ] - [ 0.0003741700000000, 0.0001256300000000, -0.0002653000000000 ] - [ 0.0004431100000000, -0.0000938200000000, 0.0000017300000000 ] - [ 0.0006723900000000, 0.0005038800000000, 0.0002017900000000 ] - [ 0.0002276000000000, -0.0110254900000000, -0.0058004500000000 ] - [ -0.0029475500000000, -0.0076539700000000, 0.0080445200000000 ] - [ 0.0009298800000000, 0.0012454300000000, -0.0031930700000000 ] - [ 0.0003048200000000, -0.0004538300000000, 0.0002761600000000 ] - [ 0.0006165100000000, -0.0002742400000000, -0.0004055500000000 ] - [ 0.0010350600000000, 0.0000701700000000, -0.0009298500000000 ] - [ 0.0120786000000000, 0.0040144900000000, 0.0004374200000000 ] - [ -0.0005100900000000, -0.0006519500000000, -0.0002501400000000 ] - [ 0.0008110900000000, -0.0000507600000000, -0.0003526600000000 ] - [ -0.0017997500000000, -0.0004768000000000, -0.0017988200000000 ] - [ 0.0091885800000000, -0.0046815600000000, -0.0056294800000000 ] - [ 0.0002836800000000, 0.0021691800000000, -0.0004711700000000 ] - [ 0.0116293600000000, -0.0042249300000000, 0.0002270900000000 ] - [ 0.0061005300000000, 0.0020377000000000, 0.0000244200000000 ] - [ 0.0002859800000000, 0.0000371300000000, 0.0005401600000000 ] - [ 0.0025714100000000, -0.0009494400000000, -0.0000264800000000 ] - [ -0.0009702500000000, -0.0001722900000000, -0.0001123700000000 ] - [ -0.0003046500000000, -0.0004363600000000, 0.0008674400000000 ] - [ -0.0004730500000000, 0.0006759100000000, -0.0009562100000000 ] - [ -0.0301250000000000, -0.0012033300000000, -0.0167465900000000 ] - [ -0.0146859200000000, 0.0092073200000000, 0.0135697900000000 ] - [ 0.0004470600000000, -0.0004138500000000, 0.0003260500000000 ] - [ -0.0002168300000000, 0.0011338100000000, -0.0014807400000000 ] - [ -0.0001241600000000, -0.0003216700000000, 0.0003174000000000 ] - [ -0.0112477200000000, 0.0032115900000000, -0.0041187300000000 ] - [ 0.0009929800000000, 0.0000582400000000, 0.0005649500000000 ] - [ 0.0026309900000000, -0.0019117400000000, 0.0017122000000000 ] - [ 0.0065480800000000, -0.0000306100000000, 0.0090931400000000 ] - [ -0.0121381500000000, -0.0038260900000000, 0.0051069500000000 ] - [ 0.0012115700000000, -0.0000878900000000, -0.0008559600000000 ] - [ -0.0021373200000000, -0.0001576000000000, 0.0010276100000000 ] - [ -0.0010123600000000, -0.0008990500000000, -0.0000755300000000 ] - [ 0.0003667700000000, -0.0001984800000000, 0.0003164200000000 ]- atom: 19 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0005428800000000, -0.0002780800000000, 0.0025850400000000 ] - [ 0.0075360700000000, -0.0041472200000000, 0.0089203100000000 ] - [ -0.0000718000000000, 0.0087494900000000, 0.0089796100000000 ] - [ 0.0000287600000000, 0.0018747900000000, 0.0001723300000000 ] - [ -0.0060632800000000, -0.0025686700000000, -0.0000763000000000 ] - [ -0.0006031200000000, -0.0000947200000000, 0.0025857100000000 ] - [ 0.0017109300000000, -0.0011530100000000, 0.0001488000000000 ] - [ 0.0003675100000000, -0.0006661800000000, 0.0009551700000000 ] - [ -0.0052737000000000, -0.0039817400000000, -0.0000262900000000 ] - [ -0.0001703400000000, 0.0000270000000000, 0.0007403200000000 ] - [ 0.0009344100000000, 0.0001315800000000, 0.0013873300000000 ] - [ 0.0002087300000000, -0.0006633700000000, 0.0022911100000000 ] - [ 0.0000849300000000, 0.0000985600000000, 0.0025111000000000 ] - [ 0.0001774400000000, -0.0001174700000000, 0.0007283300000000 ] - [ -0.0002438700000000, 0.0008410300000000, 0.0009464700000000 ] - [ -0.0005408100000000, 0.0002650700000000, 0.0022726900000000 ] - [ 0.0001351200000000, 0.0000219600000000, 0.0024435800000000 ] - [ 0.0005779300000000, 0.0007445200000000, 0.0013825500000000 ] - [ 0.0022363300000000, 0.0009185500000000, -0.1759345700000000 ] - [ 0.0003431200000000, -0.0065737600000000, -0.0137073900000000 ] - [ -0.0051716000000000, 0.0035855000000000, -0.0136981000000000 ] - [ -0.0003177500000000, -0.0002184600000000, 0.0045968400000000 ] - [ 0.0002233400000000, -0.0000742100000000, 0.0051434600000000 ] - [ -0.0001785500000000, 0.0001324600000000, 0.0045924300000000 ] - [ -0.0003459400000000, -0.0003275200000000, 0.0061667200000000 ] - [ -0.0324974500000000, 0.0020253800000000, -0.0117239800000000 ] - [ 0.0002958300000000, -0.0020414500000000, -0.0116756500000000 ] - [ 0.0121362200000000, 0.0266826000000000, 0.0067974300000000 ] - [ -0.0015709200000000, 0.0010783000000000, -0.0119909900000000 ] - [ -0.0144734600000000, -0.0289574400000000, -0.0114332200000000 ] - [ -0.0002256000000000, 0.0006674100000000, 0.0044006900000000 ] - [ -0.0004496600000000, -0.0001306400000000, 0.0058262300000000 ] - [ 0.0210976800000000, -0.0249280100000000, -0.0098557100000000 ] - [ -0.0111986300000000, 0.0307249000000000, -0.0095483600000000 ] - [ 0.0292008900000000, -0.0027696500000000, 0.0064683000000000 ] - [ 0.0007461800000000, 0.0006901400000000, 0.0074998800000000 ] - [ -0.0001776100000000, 0.0001653800000000, 0.0054084000000000 ] - [ 0.0006731500000000, -0.0005898700000000, 0.0046988400000000 ] - [ 0.0011440200000000, 0.0003549400000000, 0.0071866200000000 ] - [ -0.0000996100000000, -0.0000992300000000, 0.0051124000000000 ] - [ 0.0014074500000000, 0.0008566200000000, -0.0051104000000000 ] - [ -0.0008445400000000, -0.0002294900000000, -0.0021998600000000 ] - [ 0.0005003800000000, 0.0012795700000000, -0.0021214700000000 ] - [ -0.0000372700000000, -0.0003699400000000, -0.0015846400000000 ] - [ -0.0085914400000000, -0.0040706500000000, 0.0034044000000000 ] - [ -0.0077062600000000, -0.0056202500000000, 0.0030187500000000 ] - [ -0.0007761100000000, -0.0037484300000000, 0.0024975100000000 ] - [ 0.0002933300000000, -0.0002737200000000, -0.0023285900000000 ] - [ 0.0072304700000000, -0.0029028500000000, 0.0132618100000000 ] - [ 0.0075674500000000, -0.0043783900000000, 0.0027947100000000 ] - [ -0.0002032000000000, 0.0007480700000000, -0.0027883800000000 ] - [ -0.0004763100000000, 0.0013743400000000, 0.0037185100000000 ] - [ 0.0019489300000000, -0.0091912800000000, 0.0049859000000000 ] - [ 0.0098608900000000, 0.0137447500000000, 0.0228668800000000 ] - [ -0.0003845800000000, -0.0006027000000000, -0.0025808800000000 ] - [ 0.0090805200000000, 0.0042305100000000, 0.0057910400000000 ] - [ -0.0000728600000000, -0.0001949600000000, -0.0019145200000000 ] - [ 0.0000554600000000, -0.0013966800000000, -0.0035442500000000 ] - [ 0.0018104000000000, 0.0081208500000000, -0.0033633600000000 ] - [ -0.0022433300000000, -0.0043092900000000, -0.0049083800000000 ] - [ -0.0170587700000000, 0.0010538600000000, 0.0252994900000000 ] - [ 0.0010161300000000, 0.0076991300000000, 0.0132516500000000 ] - [ 0.0008663600000000, -0.0006508500000000, -0.0022162100000000 ] - [ 0.0003729400000000, -0.0000686400000000, -0.0021582000000000 ] - [ 0.0007314900000000, -0.0003450300000000, -0.0021585000000000 ] - [ 0.0014824800000000, -0.0064397000000000, -0.0010985200000000 ] - [ -0.0085696200000000, -0.0049898700000000, 0.0168237300000000 ] - [ 0.0015674000000000, 0.0005693600000000, -0.0045244500000000 ] - [ -0.0000982100000000, -0.0005101900000000, -0.0020531500000000 ] - [ 0.0006207200000000, 0.0005900200000000, -0.0028470000000000 ] - [ 0.0012232200000000, -0.0000070900000000, -0.0025004600000000 ] - [ 0.0084691900000000, 0.0060156000000000, 0.0062564400000000 ] - [ -0.0004779100000000, -0.0000803300000000, -0.0019379500000000 ] - [ 0.0003301100000000, 0.0004996200000000, -0.0021824300000000 ] - [ -0.0010515400000000, -0.0009943100000000, -0.0047023800000000 ] - [ 0.0076909200000000, -0.0023393900000000, -0.0032242800000000 ] - [ 0.0007677600000000, 0.0003400300000000, 0.0040402800000000 ] - [ -0.0072305900000000, 0.0063008000000000, 0.0046071900000000 ] - [ 0.0007835800000000, 0.0008494000000000, 0.0035793000000000 ] - [ -0.0009375400000000, -0.0002752800000000, -0.0021061800000000 ] - [ 0.0011808100000000, -0.0009960200000000, 0.0036832200000000 ] - [ -0.0009499200000000, -0.0005837000000000, -0.0021382200000000 ] - [ -0.0011580200000000, -0.0002683200000000, -0.0045677000000000 ] - [ -0.0002349400000000, 0.0008609700000000, -0.0026014000000000 ] - [ 0.0155400900000000, 0.0011598300000000, 0.0226910100000000 ] - [ -0.0092547100000000, 0.0133478900000000, 0.0306763100000000 ] - [ -0.0005943700000000, -0.0001166700000000, -0.0020404900000000 ] - [ 0.0012817000000000, 0.0010803400000000, -0.0042873700000000 ] - [ -0.0001996900000000, -0.0002186500000000, -0.0019495500000000 ] - [ 0.0066321100000000, -0.0131760600000000, 0.0298106700000000 ] - [ -0.0000392100000000, 0.0004571400000000, -0.0017049600000000 ] - [ -0.0033968100000000, 0.0010819900000000, 0.0023668100000000 ] - [ -0.0048473400000000, 0.0001969700000000, -0.0051170600000000 ] - [ -0.0075525700000000, -0.0167982400000000, 0.0262683300000000 ] - [ 0.0005951600000000, 0.0003625800000000, -0.0027307600000000 ] - [ -0.0045704300000000, 0.0046250500000000, -0.0009557900000000 ] - [ 0.0002320600000000, 0.0086231400000000, 0.0028197300000000 ] - [ -0.0012234400000000, 0.0006796900000000, -0.0035440600000000 ]- atom: 25 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000489100000000, 0.0013199500000000, -0.0007238100000000 ] - [ -0.0001229100000000, 0.0002357800000000, 0.0002823200000000 ] - [ -0.0001884600000000, 0.0011382800000000, -0.0002029600000000 ] - [ -0.0001275500000000, -0.0001647000000000, 0.0005540900000000 ] - [ 0.0000480600000000, 0.0000426500000000, -0.0000384800000000 ] - [ -0.0021590600000000, -0.0059086600000000, 0.0047948400000000 ] - [ 0.0016650300000000, -0.0001112900000000, 0.0006982800000000 ] - [ -0.0001420400000000, -0.0000237700000000, -0.0008343300000000 ] - [ 0.0000252600000000, 0.0000024600000000, 0.0000105800000000 ] - [ 0.0077641500000000, 0.0079809800000000, 0.0065268500000000 ] - [ 0.0007003000000000, 0.0002708900000000, -0.0000015500000000 ] - [ 0.0153189400000000, -0.0076436100000000, -0.0113922700000000 ] - [ -0.0051805800000000, -0.0004961500000000, 0.0000219100000000 ] - [ 0.0003249600000000, -0.0009879700000000, -0.0003049300000000 ] - [ -0.0001212900000000, -0.0008040500000000, -0.0005026700000000 ] - [ 0.0020408000000000, 0.0000641200000000, 0.0010296300000000 ] - [ 0.0025126700000000, 0.0007615100000000, -0.0000381100000000 ] - [ 0.0014690300000000, -0.0001609500000000, -0.0000023500000000 ] - [ -0.0003055300000000, 0.0008996500000000, -0.0003425700000000 ] - [ 0.0001569400000000, -0.0004382300000000, 0.0004499500000000 ] - [ -0.0007021400000000, -0.0001684800000000, -0.0001168800000000 ] - [ -0.0060543500000000, 0.0225451400000000, -0.0170147300000000 ] - [ 0.0383917800000000, 0.0216850400000000, 0.0292864600000000 ] - [ 0.0156542900000000, -0.0157614300000000, -0.0121108600000000 ] - [ -0.5723168800000000, 0.0017576600000000, -0.0062311900000000 ] - [ -0.0007954700000000, 0.0000926700000000, 0.0010046300000000 ] - [ 0.0003067900000000, -0.0005336800000000, 0.0004082000000000 ] - [ -0.0006039800000000, 0.0000258100000000, 0.0001586300000000 ] - [ -0.0007721500000000, -0.0007857000000000, 0.0018599500000000 ] - [ -0.0002954200000000, 0.0008470100000000, 0.0000733000000000 ] - [ -0.0057916100000000, -0.0127423100000000, 0.0081608900000000 ] - [ 0.0031242700000000, 0.0041005400000000, -0.0001617200000000 ] - [ -0.0013392600000000, -0.0001545900000000, -0.0033475200000000 ] - [ 0.0009108400000000, 0.0005947800000000, -0.0000262300000000 ] - [ 0.0003863800000000, 0.0000006600000000, -0.0001676400000000 ] - [ -0.0058407400000000, 0.0175699500000000, -0.0013747300000000 ] - [ -0.0055154700000000, -0.0174023000000000, 0.0016441500000000 ] - [ 0.0248612100000000, 0.0002750800000000, 0.0002396000000000 ] - [ -0.0107353100000000, 0.0088713900000000, -0.0036854500000000 ] - [ 0.0102777300000000, 0.0025072600000000, -0.0049182900000000 ] - [ 0.0019841900000000, -0.0024797000000000, 0.0015766900000000 ] - [ 0.2590620900000000, -0.0162967900000000, 0.0807968600000000 ] - [ 0.1140529200000000, 0.0859945000000000, -0.0370135500000000 ] - [ 0.0119941600000000, 0.0046965700000000, 0.0028172900000000 ] - [ 0.0004134100000000, -0.0000495300000000, 0.0000700500000000 ] - [ 0.0001357800000000, -0.0000142500000000, -0.0001286200000000 ] - [ -0.0003669900000000, -0.0004083800000000, -0.0016713100000000 ] - [ 0.0087125600000000, -0.0121886200000000, -0.0076906600000000 ] - [ -0.0000816700000000, 0.0001254500000000, -0.0003776000000000 ] - [ -0.0006490700000000, -0.0002047400000000, 0.0000432100000000 ] - [ -0.0013474000000000, -0.0164904600000000, 0.0017801000000000 ] - [ -0.0000991100000000, 0.0002313300000000, -0.0006018500000000 ] - [ 0.0003636700000000, -0.0000138400000000, 0.0002467200000000 ] - [ -0.0001537500000000, -0.0001783500000000, -0.0001740200000000 ] - [ -0.0031354400000000, -0.0028181200000000, -0.0017980200000000 ] - [ 0.0000981300000000, -0.0001678600000000, -0.0001812800000000 ] - [ -0.0025157700000000, 0.0075890300000000, -0.0092209900000000 ] - [ 0.0008705900000000, 0.0058849700000000, 0.0006067800000000 ] - [ -0.0000407600000000, -0.0002814100000000, 0.0003329200000000 ] - [ 0.0009294600000000, 0.0001257700000000, 0.0001155700000000 ] - [ -0.0000120100000000, -0.0003796400000000, -0.0002322200000000 ] - [ 0.0000836900000000, -0.0002466800000000, -0.0006111200000000 ] - [ 0.0930561800000000, -0.0799539400000000, -0.0380969700000000 ] - [ -0.0039782100000000, -0.0013834500000000, 0.0048755600000000 ] - [ 0.0081297200000000, -0.0024049000000000, -0.0017185200000000 ] - [ -0.0007312200000000, -0.0001787300000000, -0.0004138200000000 ] - [ -0.0003091100000000, -0.0002294800000000, 0.0009992000000000 ] - [ -0.0005684000000000, -0.0007441600000000, -0.0001151300000000 ] - [ -0.0085949000000000, 0.0007529400000000, 0.0006981900000000 ] - [ -0.0006205000000000, 0.0085086300000000, -0.0002687500000000 ] - [ -0.0021366500000000, 0.0006243300000000, 0.0009418300000000 ] - [ 0.0003674300000000, 0.0000965300000000, 0.0000830300000000 ] - [ 0.0011671700000000, 0.0023750500000000, -0.0014638600000000 ] - [ -0.0010258600000000, 0.0066543600000000, -0.0008043700000000 ] - [ 0.0016889300000000, -0.0024794500000000, -0.0006592300000000 ] - [ -0.0000854000000000, 0.0009368700000000, -0.0008256800000000 ] - [ 0.0004818200000000, 0.0002809000000000, -0.0000444500000000 ] - [ -0.0004694600000000, 0.0001332600000000, -0.0002668000000000 ] - [ 0.0000458600000000, 0.0003307700000000, -0.0002651900000000 ] - [ 0.0045702800000000, 0.0022761100000000, 0.0044661300000000 ] - [ 0.0000621500000000, 0.0003447200000000, -0.0000861100000000 ] - [ -0.0055154200000000, -0.0117076700000000, -0.0007872200000000 ] - [ 0.0013745300000000, -0.0030116900000000, -0.0005799300000000 ] - [ 0.0001693900000000, -0.0022297900000000, 0.0002760300000000 ] - [ 0.0001043200000000, 0.0000356100000000, 0.0002619300000000 ] - [ 0.0004497900000000, -0.0001277300000000, -0.0000557100000000 ] - [ -0.0091650900000000, -0.0016654000000000, -0.0007890000000000 ] - [ 0.0578937000000000, 0.0010068900000000, 0.0013543300000000 ] - [ -0.0190995900000000, 0.0009510700000000, 0.0014790500000000 ] - [ -0.0001450700000000, -0.0003392900000000, -0.0000033500000000 ] - [ -0.0044559400000000, -0.0014282500000000, 0.0055683800000000 ] - [ 0.0000848400000000, 0.0001987800000000, -0.0001235000000000 ] - [ -0.0008814300000000, -0.0003504200000000, -0.0001100800000000 ] - [ 0.0007752500000000, -0.0004214000000000, 0.0006426400000000 ] - [ -0.0037958700000000, -0.0003209300000000, 0.0022591000000000 ] - [ -0.0010032400000000, 0.0006765100000000, 0.0027231900000000 ] - [ 0.0008341000000000, 0.0003461900000000, 0.0007107100000000 ] - [ -0.0058509400000000, 0.0007165000000000, -0.0022115800000000 ]- atom: 25 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0002059600000000, -0.0011204400000000, 0.0007297800000000 ] - [ 0.0002122200000000, -0.0000053900000000, -0.0002730600000000 ] - [ -0.0000640000000000, -0.0010925600000000, 0.0002040700000000 ] - [ 0.0002870000000000, -0.0000338200000000, -0.0005642200000000 ] - [ -0.0000386700000000, -0.0000358900000000, -0.0000326100000000 ] - [ 0.0021010300000000, 0.0061027600000000, -0.0047877000000000 ] - [ -0.0015746500000000, -0.0001010400000000, -0.0007089500000000 ] - [ -0.0000929700000000, -0.0000012800000000, 0.0008264200000000 ] - [ -0.0000201900000000, 0.0000100100000000, 0.0000025200000000 ] - [ -0.0079326000000000, -0.0082855800000000, -0.0065783900000000 ] - [ -0.0007012900000000, -0.0002732100000000, -0.0000014000000000 ] - [ -0.0148873500000000, 0.0075095000000000, 0.0112943100000000 ] - [ 0.0051714100000000, 0.0004904300000000, 0.0000139800000000 ] - [ -0.0000841400000000, 0.0010101900000000, 0.0003090600000000 ] - [ 0.0002650800000000, 0.0009960600000000, 0.0004958400000000 ] - [ -0.0021450100000000, -0.0002902300000000, -0.0010263900000000 ] - [ -0.0025161200000000, -0.0007587800000000, -0.0000341700000000 ] - [ -0.0014688900000000, 0.0001461000000000, -0.0000022700000000 ] - [ 0.0001250500000000, -0.0005872000000000, 0.0003389500000000 ] - [ -0.0003300500000000, 0.0001333200000000, -0.0004583300000000 ] - [ 0.0010545500000000, 0.0001697400000000, 0.0001103600000000 ] - [ 0.0056973800000000, -0.0225625100000000, 0.0170178200000000 ] - [ -0.0380157600000000, -0.0219754400000000, -0.0290879500000000 ] - [ -0.0154232000000000, 0.0162023300000000, 0.0122297500000000 ] - [ 0.5559348500000000, 0.0017586600000000, -0.0060886600000000 ] - [ 0.0005888000000000, -0.0000314000000000, -0.0013049100000000 ] - [ -0.0001422900000000, 0.0003790800000000, -0.0001067900000000 ] - [ 0.0005974700000000, -0.0000174000000000, 0.0001624300000000 ] - [ 0.0008254800000000, 0.0006012400000000, -0.0021821700000000 ] - [ 0.0003481500000000, -0.0006616200000000, 0.0002300000000000 ] - [ 0.0057409700000000, 0.0125814300000000, -0.0084664200000000 ] - [ -0.0031137100000000, -0.0040933600000000, -0.0001647400000000 ] - [ 0.0014561100000000, 0.0002916000000000, 0.0030081500000000 ] - [ -0.0010863500000000, -0.0006460800000000, 0.0003289100000000 ] - [ -0.0003816700000000, 0.0000018600000000, -0.0001705500000000 ] - [ 0.0056483600000000, -0.0176804200000000, 0.0016826500000000 ] - [ 0.0054394100000000, 0.0175404800000000, -0.0012903800000000 ] - [ -0.0247086000000000, -0.0003390200000000, 0.0001141900000000 ] - [ 0.0108556000000000, -0.0088174200000000, 0.0033502500000000 ] - [ -0.0104085200000000, -0.0023866600000000, 0.0046768400000000 ] - [ -0.0019762700000000, 0.0025079000000000, -0.0015764400000000 ] - [ -0.2418698900000000, 0.0147255400000000, -0.0731744900000000 ] - [ -0.1156115000000000, -0.0900391800000000, 0.0393547800000000 ] - [ -0.0116179100000000, -0.0046196100000000, -0.0023461400000000 ] - [ -0.0003184900000000, -0.0001359500000000, 0.0003209200000000 ] - [ -0.0000177400000000, -0.0001719100000000, -0.0002474400000000 ] - [ 0.0003339400000000, 0.0001245200000000, 0.0018171300000000 ] - [ -0.0089424400000000, 0.0124495600000000, 0.0081538500000000 ] - [ 0.0000906400000000, -0.0001090100000000, 0.0003786800000000 ] - [ 0.0006188400000000, -0.0000444400000000, -0.0000641700000000 ] - [ 0.0012394400000000, 0.0168165700000000, -0.0022729600000000 ] - [ -0.0001067400000000, -0.0003782500000000, 0.0006329800000000 ] - [ -0.0002429200000000, 0.0001928200000000, 0.0001421500000000 ] - [ 0.0002642700000000, 0.0003750700000000, -0.0002029700000000 ] - [ 0.0033525700000000, 0.0027980900000000, 0.0014063000000000 ] - [ -0.0004644600000000, 0.0000993100000000, -0.0002746400000000 ] - [ 0.0027696800000000, -0.0077680100000000, 0.0093193300000000 ] - [ -0.0008365000000000, -0.0058912300000000, -0.0006192700000000 ] - [ 0.0000067400000000, 0.0005614000000000, -0.0004663500000000 ] - [ -0.0009317400000000, -0.0001258400000000, 0.0001260500000000 ] - [ 0.0002546800000000, 0.0000910600000000, -0.0002235400000000 ] - [ -0.0001049000000000, 0.0002473100000000, 0.0006187300000000 ] - [ -0.0928080200000000, 0.0821780500000000, 0.0393679700000000 ] - [ 0.0037289500000000, 0.0012556300000000, -0.0048149100000000 ] - [ -0.0077353800000000, 0.0023162400000000, 0.0012486300000000 ] - [ 0.0004968300000000, 0.0000104100000000, 0.0002788500000000 ] - [ 0.0003144400000000, 0.0002103300000000, -0.0009869500000000 ] - [ 0.0005690300000000, 0.0007410800000000, -0.0001231700000000 ] - [ 0.0088638800000000, -0.0008926700000000, -0.0008365500000000 ] - [ 0.0006548400000000, -0.0081676300000000, 0.0001155000000000 ] - [ 0.0020186800000000, -0.0004357600000000, -0.0013199300000000 ] - [ -0.0001451600000000, 0.0001639100000000, 0.0003611600000000 ] - [ -0.0011308700000000, -0.0026682000000000, 0.0016034400000000 ] - [ 0.0012135200000000, -0.0064640400000000, 0.0007414500000000 ] - [ -0.0019459700000000, 0.0023721100000000, 0.0005100400000000 ] - [ -0.0001280000000000, -0.0007905900000000, 0.0009512400000000 ] - [ -0.0008485700000000, -0.0002206800000000, 0.0004942000000000 ] - [ 0.0002596800000000, -0.0001455200000000, -0.0001168400000000 ] - [ 0.0000657400000000, -0.0000037500000000, -0.0001806000000000 ] - [ -0.0045217200000000, -0.0019898700000000, -0.0043825100000000 ] - [ 0.0001444000000000, -0.0001990400000000, 0.0000562100000000 ] - [ 0.0052426600000000, 0.0118024100000000, 0.0007245900000000 ] - [ -0.0011273600000000, 0.0031904100000000, 0.0007264000000000 ] - [ -0.0002858800000000, 0.0020495500000000, -0.0006656900000000 ] - [ -0.0003295900000000, -0.0000316400000000, 0.0001144200000000 ] - [ -0.0004348200000000, 0.0003844700000000, 0.0000905900000000 ] - [ 0.0089402600000000, 0.0013720400000000, 0.0002998700000000 ] - [ -0.0577818200000000, -0.0009850600000000, 0.0013630400000000 ] - [ 0.0191177400000000, -0.0012255300000000, -0.0015778700000000 ] - [ -0.0000765900000000, 0.0004941600000000, -0.0000405200000000 ] - [ 0.0043242100000000, 0.0010649900000000, -0.0051146600000000 ] - [ 0.0001386600000000, -0.0003096600000000, 0.0000009700000000 ] - [ 0.0008828600000000, 0.0003427000000000, -0.0001200300000000 ] - [ -0.0006471100000000, 0.0000568600000000, -0.0001724300000000 ] - [ 0.0035586400000000, 0.0004389000000000, -0.0021358100000000 ] - [ 0.0012675200000000, -0.0005621400000000, -0.0025611000000000 ] - [ -0.0005868500000000, -0.0004614500000000, -0.0006670800000000 ] - [ 0.0058349200000000, -0.0007247500000000, 0.0021693500000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0001017400000000, 0.0000716300000000, 0.0021877000000000 ] - [ -0.0000746100000000, -0.0001071500000000, 0.0025961200000000 ] - [ -0.0008116800000000, -0.0010524500000000, -0.0018775000000000 ] - [ -0.0000554900000000, 0.0001181800000000, 0.0025961200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0020466400000000 ] - [ 0.0031610200000000, -0.0078471700000000, -0.0109060000000000 ] - [ 0.0013172900000000, -0.0001767100000000, -0.0018775000000000 ] - [ 0.0001300900000000, -0.0000110400000000, 0.0025961200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0202863300000000 ] - [ 0.0052153400000000, 0.0066611100000000, -0.0109060000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0023573800000000 ] - [ -0.0083763600000000, 0.0011860700000000, -0.0109060000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0095308100000000 ] - [ 0.0001129000000000, 0.0000523000000000, 0.0021877000000000 ] - [ -0.0005056100000000, 0.0012291600000000, -0.0018775000000000 ] - [ -0.0000111600000000, -0.0001239300000000, 0.0021877000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0027289500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0028586900000000 ] - [ -0.0017877000000000, -0.0023877400000000, 0.0060041700000000 ] - [ 0.0029617000000000, -0.0003543300000000, 0.0060041700000000 ] - [ -0.0011739900000000, 0.0027420700000000, 0.0060041700000000 ] - [ -0.0042827500000000, -0.0151648600000000, 0.0065951700000000 ] - [ 0.0152745300000000, 0.0038734600000000, 0.0065951700000000 ] - [ -0.0109917800000000, 0.0112914000000000, 0.0065951700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.6780013800000000 ] - [ 0.0010990100000000, -0.0097131800000000, 0.0034970700000000 ] - [ -0.0000439600000000, -0.0003917700000000, 0.0067784900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0087824100000000 ] - [ 0.0078623600000000, 0.0058083600000000, 0.0034970700000000 ] - [ 0.0003612600000000, 0.0001578100000000, 0.0067784900000000 ] - [ 0.0082304000000000, -0.0041626700000000, 0.0050416500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0048219300000000 ] - [ -0.0089613700000000, 0.0039048200000000, 0.0034970700000000 ] - [ -0.0003173000000000, 0.0002339600000000, 0.0067784900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0043231200000000 ] - [ -0.0031165900000000, 0.0015515700000000, -0.0091325100000000 ] - [ 0.0029019900000000, 0.0019232600000000, -0.0091325100000000 ] - [ 0.0002145900000000, -0.0034748300000000, -0.0091325100000000 ] - [ -0.0005102200000000, 0.0092090700000000, 0.0050416500000000 ] - [ -0.0077201800000000, -0.0050464000000000, 0.0050416500000000 ] - [ -0.0008635100000000, -0.0016159300000000, 0.0019052400000000 ] - [ 0.0815425000000000, -0.0019729200000000, 0.0907995100000000 ] - [ -0.0424798500000000, -0.0696314200000000, 0.0907995100000000 ] - [ -0.0036981800000000, 0.0036075400000000, -0.0033479800000000 ] - [ 0.0011997400000000, -0.0004047600000000, -0.0032698900000000 ] - [ -0.0001167500000000, -0.0013954300000000, 0.0002472700000000 ] - [ -0.0023620200000000, -0.0022382200000000, 0.0016638800000000 ] - [ -0.0012751300000000, -0.0050064900000000, -0.0033479800000000 ] - [ -0.0014777200000000, 0.0020892600000000, -0.0041767200000000 ] - [ -0.0004161500000000, -0.0003927300000000, -0.0023088800000000 ] - [ -0.0007853600000000, -0.0033335500000000, 0.0027527900000000 ] - [ -0.0024601600000000, -0.0010173200000000, -0.0020975900000000 ] - [ -0.0002493400000000, 0.0012413800000000, -0.0032698900000000 ] - [ 0.0012668500000000, 0.0005966100000000, 0.0002472700000000 ] - [ -0.0008473100000000, -0.0007330800000000, -0.0014894000000000 ] - [ -0.0008113700000000, -0.0007542200000000, -0.0026078800000000 ] - [ -0.0016429500000000, 0.0002455900000000, -0.0011741200000000 ] - [ -0.0009676800000000, 0.0015557900000000, 0.0019052400000000 ] - [ -0.0006985900000000, 0.0008880800000000, -0.0036685700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0063698500000000 ] - [ 0.0010588600000000, -0.0003255600000000, -0.0026078800000000 ] - [ -0.0010704900000000, -0.0023243800000000, -0.0041767200000000 ] - [ -0.0390626500000000, 0.0716043400000000, 0.0907995100000000 ] - [ 0.0010341700000000, 0.0013000400000000, -0.0011741200000000 ] - [ -0.0024942600000000, 0.0023469200000000, 0.0027527900000000 ] - [ -0.0004198000000000, -0.0010490400000000, -0.0036685700000000 ] - [ 0.0025482200000000, 0.0002351100000000, -0.0041767200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0040420000000000 ] - [ -0.0019022200000000, 0.0012802900000000, 0.0068744900000000 ] - [ -0.0001576600000000, -0.0022875200000000, 0.0068744900000000 ] - [ 0.0010585200000000, -0.0003672500000000, -0.0014894000000000 ] - [ -0.0025297200000000, 0.0044765800000000, -0.0048994200000000 ] - [ -0.0019454900000000, 0.0011698800000000, -0.0032686700000000 ] - [ 0.0010141900000000, -0.0045771300000000, 0.0027626000000000 ] - [ 0.0020598800000000, 0.0010072300000000, 0.0068744900000000 ] - [ -0.0007573400000000, 0.0031646700000000, 0.0016638800000000 ] - [ -0.0026119800000000, -0.0044290900000000, -0.0048994200000000 ] - [ -0.0011501100000000, 0.0007988200000000, 0.0002472700000000 ] - [ -0.0002474900000000, 0.0010797800000000, -0.0026078800000000 ] - [ 0.0006087900000000, -0.0015456400000000, -0.0011741200000000 ] - [ 0.0005481900000000, -0.0001640300000000, -0.0023088800000000 ] - [ 0.0034568100000000, 0.0031668800000000, 0.0027626000000000 ] - [ -0.0000404000000000, -0.0022697900000000, -0.0032686700000000 ] - [ -0.0002112200000000, 0.0011003300000000, -0.0014894000000000 ] - [ -0.0009504000000000, -0.0008366200000000, -0.0032698900000000 ] - [ 0.0003490500000000, 0.0026392200000000, -0.0020975900000000 ] - [ 0.0032796200000000, 0.0009866300000000, 0.0027527900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.3902260400000000 ] - [ -0.0044710000000000, 0.0014102500000000, 0.0027626000000000 ] - [ -0.0001320400000000, 0.0005567600000000, -0.0023088800000000 ] - [ 0.0049733100000000, 0.0013989400000000, -0.0033479800000000 ] - [ 0.0011183900000000, 0.0001609600000000, -0.0036685700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0038293600000000 ] - [ 0.0051416900000000, -0.0000474900000000, -0.0048994200000000 ] - [ 0.0019858900000000, 0.0010999100000000, -0.0032686700000000 ] - [ 0.0031193600000000, -0.0009264600000000, 0.0016638800000000 ] - [ 0.0021111100000000, -0.0016219000000000, -0.0020975900000000 ] - [ 0.0018311900000000, 0.0000601400000000, 0.0019052400000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0000504500000000, 0.0001141600000000, -0.0021889100000000 ] - [ 0.0001595800000000, 0.0003369700000000, -0.0025845600000000 ] - [ 0.0005690100000000, 0.0010900700000000, 0.0018804300000000 ] - [ 0.0002120300000000, -0.0003066900000000, -0.0025845600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0021181400000000 ] - [ -0.0032559300000000, 0.0081308900000000, 0.0109169700000000 ] - [ -0.0012285400000000, -0.0000522600000000, 0.0018804300000000 ] - [ -0.0003716100000000, -0.0000302800000000, -0.0025845600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0203442600000000 ] - [ -0.0054135900000000, -0.0068851600000000, 0.0109169700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0023522600000000 ] - [ 0.0086695200000000, -0.0012457300000000, 0.0109169700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0093501900000000 ] - [ 0.0001240900000000, -0.0000133900000000, -0.0021889100000000 ] - [ 0.0006595300000000, -0.0010378200000000, 0.0018804300000000 ] - [ -0.0000736400000000, -0.0001007700000000, -0.0021889100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0026518000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0028601700000000 ] - [ 0.0016231000000000, 0.0026813900000000, -0.0059901500000000 ] - [ -0.0031337100000000, 0.0000649500000000, -0.0059901500000000 ] - [ 0.0015106000000000, -0.0027463500000000, -0.0059901500000000 ] - [ 0.0039281100000000, 0.0150142100000000, -0.0066697400000000 ] - [ -0.0149667500000000, -0.0041052600000000, -0.0066697400000000 ] - [ 0.0110386300000000, -0.0109089500000000, -0.0066697400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.7077675100000000 ] - [ -0.0012847500000000, 0.0097760400000000, -0.0037615200000000 ] - [ 0.0001922100000000, 0.0002567800000000, -0.0064661500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0084217400000000 ] - [ -0.0078239200000000, -0.0060006500000000, -0.0037615200000000 ] - [ -0.0003184900000000, 0.0000380700000000, -0.0064661500000000 ] - [ -0.0081875800000000, 0.0039288200000000, -0.0053514200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0051541100000000 ] - [ 0.0091086800000000, -0.0037753900000000, -0.0037615200000000 ] - [ 0.0001262700000000, -0.0002948500000000, -0.0064661500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0040055500000000 ] - [ 0.0029810800000000, -0.0017036300000000, 0.0093853000000000 ] - [ -0.0029659300000000, -0.0017298800000000, 0.0093853000000000 ] - [ -0.0000151500000000, 0.0034335100000000, 0.0093853000000000 ] - [ 0.0006913300000000, -0.0090550600000000, -0.0053514200000000 ] - [ 0.0074962500000000, 0.0051262400000000, -0.0053514200000000 ] - [ 0.0007982200000000, 0.0016886100000000, -0.0018615200000000 ] - [ -0.0805122800000000, 0.0016445300000000, -0.0910044000000000 ] - [ 0.0416803400000000, 0.0689034200000000, -0.0910044000000000 ] - [ 0.0040210600000000, -0.0034638200000000, 0.0038283400000000 ] - [ -0.0010732800000000, 0.0002014600000000, 0.0036283600000000 ] - [ 0.0002326000000000, 0.0011925300000000, -0.0006215100000000 ] - [ 0.0023453500000000, 0.0019814500000000, -0.0015645800000000 ] - [ 0.0009892300000000, 0.0052142600000000, 0.0038283400000000 ] - [ 0.0015216900000000, -0.0020077200000000, 0.0041656500000000 ] - [ 0.0003722700000000, 0.0001232200000000, 0.0022542500000000 ] - [ 0.0006884400000000, 0.0037109800000000, -0.0032115400000000 ] - [ 0.0022474000000000, 0.0008484200000000, 0.0021338900000000 ] - [ 0.0003621700000000, -0.0010302200000000, 0.0036283600000000 ] - [ -0.0011490600000000, -0.0003948300000000, -0.0006215100000000 ] - [ 0.0010794400000000, 0.0007348000000000, 0.0011297300000000 ] - [ 0.0004494100000000, 0.0006666200000000, 0.0021280800000000 ] - [ 0.0018324600000000, -0.0004199400000000, 0.0012256100000000 ] - [ 0.0010632700000000, -0.0015355800000000, -0.0018615200000000 ] - [ 0.0006823700000000, -0.0006320700000000, 0.0035501200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0065476400000000 ] - [ -0.0008020200000000, 0.0000558900000000, 0.0021280800000000 ] - [ 0.0009778900000000, 0.0023216900000000, 0.0041656500000000 ] - [ 0.0388319400000000, -0.0705479500000000, -0.0910044000000000 ] - [ -0.0012799100000000, -0.0013769800000000, 0.0012256100000000 ] - [ 0.0028695800000000, -0.0024517000000000, -0.0032115400000000 ] - [ 0.0002062000000000, 0.0009069900000000, 0.0035501200000000 ] - [ -0.0024995900000000, -0.0003139600000000, 0.0041656500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0038293900000000 ] - [ 0.0021121600000000, -0.0014250800000000, -0.0069767100000000 ] - [ 0.0001780800000000, 0.0025417300000000, -0.0069767100000000 ] - [ -0.0011760800000000, 0.0005674200000000, 0.0011297300000000 ] - [ 0.0027793200000000, -0.0042202200000000, 0.0053660000000000 ] - [ 0.0019457000000000, -0.0014187500000000, 0.0033596800000000 ] - [ -0.0008143600000000, 0.0047934900000000, -0.0028068500000000 ] - [ -0.0022902400000000, -0.0011166500000000, -0.0069767100000000 ] - [ 0.0005433100000000, -0.0030218500000000, -0.0015645800000000 ] - [ 0.0022651600000000, 0.0045170700000000, 0.0053660000000000 ] - [ 0.0009164600000000, -0.0007977100000000, -0.0006215100000000 ] - [ 0.0003526100000000, -0.0007225100000000, 0.0021280800000000 ] - [ -0.0005525500000000, 0.0017969200000000, 0.0012256100000000 ] - [ -0.0002928500000000, 0.0002607800000000, 0.0022542500000000 ] - [ -0.0037441000000000, -0.0031020000000000, -0.0028068500000000 ] - [ 0.0002558300000000, 0.0023944000000000, 0.0033596800000000 ] - [ 0.0000966400000000, -0.0013022200000000, 0.0011297300000000 ] - [ 0.0007111100000000, 0.0008287600000000, 0.0036283600000000 ] - [ -0.0003889500000000, -0.0023705100000000, 0.0021338900000000 ] - [ -0.0035580200000000, -0.0012592800000000, -0.0032115400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.4175557800000000 ] - [ 0.0045584600000000, -0.0016914900000000, -0.0028068500000000 ] - [ -0.0000794200000000, -0.0003840100000000, 0.0022542500000000 ] - [ -0.0050102900000000, -0.0017504300000000, 0.0038283400000000 ] - [ -0.0008885700000000, -0.0002749200000000, 0.0035501200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0040442100000000 ] - [ -0.0050444700000000, -0.0002968500000000, 0.0053660000000000 ] - [ -0.0022015200000000, -0.0009756500000000, 0.0033596800000000 ] - [ -0.0028886600000000, 0.0010404100000000, -0.0015645800000000 ] - [ -0.0018584500000000, 0.0015220900000000, 0.0021338900000000 ] - [ -0.0018614800000000, -0.0001530300000000, -0.0018615200000000 ]- atom: 26 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0001445700000000, 0.0000535000000000, -0.0008070600000000 ] - [ -0.0028790700000000, 0.0011134900000000, -0.0020633200000000 ] - [ 0.0135236600000000, 0.0074419000000000, 0.0109901100000000 ] - [ 0.0004931500000000, -0.0014110300000000, 0.0003462800000000 ] - [ 0.0033652700000000, -0.0002036700000000, 0.0001591800000000 ] - [ -0.0057112200000000, 0.0021136200000000, -0.0024925400000000 ] - [ 0.0015425200000000, 0.0013197100000000, -0.0004361800000000 ] - [ -0.0000711000000000, 0.0011687800000000, 0.0002477700000000 ] - [ -0.0089489500000000, -0.0026665500000000, -0.0011082100000000 ] - [ 0.0000809600000000, 0.0007507200000000, 0.0006208000000000 ] - [ -0.0012149000000000, -0.0006988100000000, 0.0002766200000000 ] - [ 0.0002695800000000, -0.0012036900000000, 0.0005697400000000 ] - [ -0.0000224100000000, 0.0000164000000000, -0.0003689100000000 ] - [ 0.0004846100000000, -0.0000106100000000, 0.0013442400000000 ] - [ 0.0066302800000000, -0.0070999100000000, -0.0047239500000000 ] - [ 0.0000367500000000, -0.0001665100000000, -0.0001543300000000 ] - [ 0.0008414900000000, 0.0000508000000000, -0.0001864000000000 ] - [ -0.0041927000000000, -0.0018991200000000, -0.0000312300000000 ] - [ 0.0421740700000000, -0.0235847600000000, -0.0324839000000000 ] - [ 0.0180157300000000, 0.0207771300000000, 0.0110520000000000 ] - [ 0.0053156700000000, -0.0046498200000000, 0.0017773700000000 ] - [ 0.0011368500000000, -0.0000531900000000, 0.0001471700000000 ] - [ 0.0004140800000000, -0.0010564300000000, 0.0005659000000000 ] - [ -0.0001592600000000, 0.0011807700000000, -0.0010596300000000 ] - [ -0.0006949700000000, 0.0006416700000000, 0.0013481500000000 ] - [ -0.6631162100000000, -0.0078652300000000, 0.0281900500000000 ] - [ 0.0184753100000000, -0.0109875000000000, 0.0321703900000000 ] - [ -0.0108232800000000, -0.0097671600000000, 0.0007713600000000 ] - [ 0.0042448100000000, 0.0128192900000000, -0.0004971600000000 ] - [ 0.0080281300000000, 0.0106312300000000, -0.0033560900000000 ] - [ 0.0006661100000000, -0.0013069800000000, -0.0002344400000000 ] - [ 0.0010070800000000, -0.0000144500000000, 0.0000626200000000 ] - [ 0.0057946600000000, -0.0136949000000000, 0.0010708500000000 ] - [ 0.0042645500000000, -0.0030942700000000, -0.0012927300000000 ] - [ 0.0247442600000000, -0.0000359800000000, -0.0000258900000000 ] - [ 0.0027078700000000, -0.0000565000000000, 0.0046172100000000 ] - [ 0.0017336500000000, -0.0005246200000000, -0.0025889900000000 ] - [ 0.0007736800000000, 0.0007804300000000, -0.0001861400000000 ] - [ -0.0015822500000000, -0.0006439800000000, 0.0003749600000000 ] - [ -0.0003349100000000, 0.0007227100000000, -0.0005482100000000 ] - [ 0.0005849600000000, 0.0003865300000000, -0.0018849400000000 ] - [ 0.0002755900000000, 0.0002347400000000, 0.0001296800000000 ] - [ -0.0001606200000000, 0.0000265600000000, -0.0002534600000000 ] - [ -0.0003731200000000, 0.0003570100000000, 0.0002647600000000 ] - [ 0.0049746300000000, -0.0028700300000000, -0.0050041500000000 ] - [ -0.0105829600000000, -0.0002161800000000, -0.0001067500000000 ] - [ -0.0024744000000000, -0.0069127900000000, -0.0002578900000000 ] - [ 0.0000928500000000, 0.0003162400000000, 0.0002258100000000 ] - [ 0.0452803200000000, -0.0168964600000000, 0.0282204400000000 ] - [ -0.0026989300000000, -0.0011352700000000, -0.0004529300000000 ] - [ -0.0006855900000000, 0.0005586000000000, -0.0010114100000000 ] - [ -0.0007210200000000, -0.0064603900000000, 0.0006035400000000 ] - [ 0.0005373400000000, 0.0031104500000000, -0.0000615300000000 ] - [ -0.0197152900000000, -0.0009800400000000, -0.0034458400000000 ] - [ -0.0002329100000000, -0.0001286300000000, -0.0003802800000000 ] - [ -0.0055716700000000, -0.0012940000000000, -0.0011392500000000 ] - [ 0.0001199300000000, 0.0005380200000000, -0.0000104400000000 ] - [ -0.0001433500000000, 0.0006253500000000, 0.0010203600000000 ] - [ -0.0001828300000000, -0.0032734900000000, 0.0020807300000000 ] - [ 0.0021434600000000, 0.0022500800000000, 0.0021393600000000 ] - [ -0.0032520400000000, 0.0025226600000000, 0.0013138900000000 ] - [ -0.0026539300000000, -0.0048672200000000, -0.0005191900000000 ] - [ 0.0009701200000000, -0.0008539300000000, 0.0003559100000000 ] - [ -0.0000438600000000, -0.0003724000000000, 0.0001409500000000 ] - [ -0.0012032400000000, 0.0000449800000000, 0.0003589600000000 ] - [ -0.0006399900000000, 0.0011554600000000, 0.0004087300000000 ] - [ -0.0023473000000000, 0.0023015300000000, 0.0014283300000000 ] - [ -0.0011154400000000, 0.0000535900000000, -0.0003655700000000 ] - [ 0.0000527000000000, -0.0007369500000000, 0.0000158300000000 ] - [ -0.0009646000000000, 0.0010833100000000, 0.0017330900000000 ] - [ -0.0006516300000000, -0.0000300400000000, -0.0000303900000000 ] - [ 0.1095291500000000, 0.1049590400000000, 0.0177464200000000 ] - [ -0.0002434200000000, 0.0006020600000000, -0.0004198200000000 ] - [ -0.0003386700000000, 0.0001228600000000, 0.0017038500000000 ] - [ 0.0020754200000000, -0.0022590700000000, -0.0047202200000000 ] - [ 0.0909879500000000, -0.0505925500000000, -0.0812778600000000 ] - [ -0.0024145800000000, -0.0019699900000000, 0.0002875100000000 ] - [ -0.0088160300000000, 0.0014145000000000, 0.0011444000000000 ] - [ -0.0049859300000000, 0.0004806700000000, -0.0062515700000000 ] - [ 0.0010351100000000, 0.0001054300000000, -0.0001411400000000 ] - [ -0.0025115000000000, 0.0037019900000000, -0.0003025600000000 ] - [ -0.0013249000000000, -0.0005158000000000, -0.0009312700000000 ] - [ 0.0010775900000000, 0.0001372000000000, 0.0002781500000000 ] - [ -0.0005474700000000, 0.0001709800000000, -0.0003268000000000 ] - [ 0.0090056100000000, 0.0113742100000000, 0.0097570600000000 ] - [ 0.3596560400000000, -0.0222292900000000, -0.0012305000000000 ] - [ -0.0005347800000000, -0.0007593900000000, 0.0000587000000000 ] - [ 0.0024836400000000, 0.0005407600000000, -0.0003609700000000 ] - [ -0.0003714100000000, 0.0000229100000000, -0.0001153700000000 ] - [ -0.0058831300000000, -0.0082168700000000, 0.0096681400000000 ] - [ -0.0000145300000000, -0.0005486900000000, 0.0004060500000000 ] - [ 0.0011956100000000, 0.0000119000000000, -0.0095831000000000 ] - [ -0.0054820700000000, -0.0000251200000000, -0.0006046600000000 ] - [ -0.0073232900000000, 0.0158732300000000, -0.0012243200000000 ] - [ 0.0000081200000000, -0.0002505500000000, 0.0002585700000000 ] - [ -0.0020511400000000, 0.0030524000000000, -0.0013154700000000 ] - [ -0.0000876800000000, 0.0076400100000000, -0.0003661100000000 ] - [ 0.0001010300000000, -0.0002665600000000, 0.0002890400000000 ]- atom: 26 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0003026000000000, 0.0001390300000000, 0.0008106000000000 ] - [ 0.0029459600000000, -0.0008790600000000, 0.0020809300000000 ] - [ -0.0136442100000000, -0.0073579000000000, -0.0109150000000000 ] - [ -0.0003238500000000, 0.0012121900000000, -0.0003424000000000 ] - [ -0.0033493700000000, 0.0002094700000000, -0.0002247300000000 ] - [ 0.0056245000000000, -0.0019050100000000, 0.0024641200000000 ] - [ -0.0014484100000000, -0.0015521800000000, 0.0004503400000000 ] - [ -0.0001590400000000, -0.0011965100000000, -0.0002443600000000 ] - [ 0.0089279000000000, 0.0026745600000000, 0.0011743400000000 ] - [ -0.0002258800000000, -0.0009433400000000, -0.0006140700000000 ] - [ 0.0012079900000000, 0.0006913300000000, -0.0002706400000000 ] - [ -0.0000191900000000, 0.0011545300000000, -0.0005679100000000 ] - [ 0.0000113200000000, -0.0000216800000000, 0.0004281500000000 ] - [ -0.0002469700000000, 0.0000453200000000, -0.0013351600000000 ] - [ -0.0065017000000000, 0.0073886900000000, 0.0047503800000000 ] - [ -0.0001248800000000, -0.0000622900000000, 0.0001442500000000 ] - [ -0.0008430800000000, -0.0000636900000000, 0.0001385300000000 ] - [ 0.0041789200000000, 0.0018952800000000, 0.0000226200000000 ] - [ -0.0420450800000000, 0.0237361700000000, 0.0323171200000000 ] - [ -0.0181578000000000, -0.0212188200000000, -0.0111941000000000 ] - [ -0.0049481800000000, 0.0047110600000000, -0.0018401400000000 ] - [ -0.0014759900000000, 0.0000568400000000, -0.0001405400000000 ] - [ -0.0002485700000000, 0.0007549900000000, -0.0005628800000000 ] - [ 0.0003400800000000, -0.0008773400000000, 0.0010630800000000 ] - [ 0.0006852200000000, -0.0006237100000000, -0.0010288800000000 ] - [ 0.6357904800000000, 0.0129766300000000, -0.0285813300000000 ] - [ -0.0180378400000000, 0.0108928100000000, -0.0318965500000000 ] - [ 0.0107649800000000, 0.0097506500000000, -0.0004224200000000 ] - [ -0.0041973700000000, -0.0129514600000000, 0.0001747500000000 ] - [ -0.0079698900000000, -0.0104104800000000, 0.0036334200000000 ] - [ -0.0007123700000000, 0.0011113100000000, -0.0000620500000000 ] - [ -0.0009892500000000, 0.0000062900000000, -0.0003878700000000 ] - [ -0.0056258500000000, 0.0137997400000000, -0.0013777000000000 ] - [ -0.0044393300000000, 0.0030116400000000, 0.0015945900000000 ] - [ -0.0248254100000000, -0.0000381000000000, -0.0002631600000000 ] - [ -0.0028381000000000, -0.0000878300000000, -0.0042831300000000 ] - [ -0.0017584600000000, 0.0007013000000000, 0.0029080400000000 ] - [ -0.0005572200000000, -0.0008458100000000, 0.0004943500000000 ] - [ 0.0017444600000000, 0.0006975100000000, -0.0006712600000000 ] - [ 0.0001735900000000, -0.0005596700000000, 0.0002494400000000 ] - [ -0.0005963600000000, -0.0003474700000000, 0.0018725700000000 ] - [ -0.0003893700000000, -0.0004348400000000, 0.0002568400000000 ] - [ 0.0000416300000000, 0.0001534000000000, 0.0006433500000000 ] - [ 0.0007271000000000, -0.0002867500000000, 0.0001831900000000 ] - [ -0.0048508600000000, 0.0026490000000000, 0.0053476800000000 ] - [ 0.0108151400000000, -0.0000036500000000, -0.0002644200000000 ] - [ 0.0024465400000000, 0.0065983500000000, 0.0003845000000000 ] - [ -0.0003366800000000, -0.0000346700000000, 0.0002278600000000 ] - [ -0.0447967100000000, 0.0169338600000000, -0.0281150200000000 ] - [ 0.0026482300000000, 0.0008885700000000, 0.0004337800000000 ] - [ 0.0005744000000000, -0.0001968400000000, 0.0005442500000000 ] - [ 0.0005073900000000, 0.0062720000000000, -0.0005620000000000 ] - [ -0.0004196500000000, -0.0029190600000000, 0.0004511900000000 ] - [ 0.0199082400000000, 0.0012175500000000, 0.0030940700000000 ] - [ 0.0004653900000000, 0.0001308000000000, 0.0000018600000000 ] - [ 0.0052070800000000, 0.0012141400000000, 0.0006970100000000 ] - [ 0.0000984100000000, -0.0006939500000000, 0.0000515400000000 ] - [ 0.0001796900000000, -0.0006248100000000, -0.0010276100000000 ] - [ 0.0001587400000000, 0.0035429400000000, -0.0022015200000000 ] - [ -0.0021355500000000, -0.0022471500000000, -0.0019096400000000 ] - [ 0.0034792000000000, -0.0027822800000000, -0.0017503600000000 ] - [ 0.0026054000000000, 0.0048503200000000, 0.0005288000000000 ] - [ -0.0007449400000000, 0.0008436300000000, 0.0000351700000000 ] - [ -0.0001628800000000, 0.0002339000000000, -0.0001168700000000 ] - [ 0.0015514100000000, -0.0001115300000000, -0.0008078300000000 ] - [ 0.0004086900000000, -0.0013079700000000, -0.0005376200000000 ] - [ 0.0023640600000000, -0.0023271300000000, -0.0014273300000000 ] - [ 0.0011123300000000, -0.0000539300000000, 0.0001209500000000 ] - [ 0.0001534600000000, 0.0006066100000000, -0.0001370200000000 ] - [ 0.0009751800000000, -0.0008029500000000, -0.0018697200000000 ] - [ 0.0005256500000000, 0.0002196900000000, -0.0003560700000000 ] - [ -0.1091130600000000, -0.1076053300000000, -0.0174710800000000 ] - [ 0.0002687300000000, -0.0008699700000000, 0.0005383400000000 ] - [ 0.0005235100000000, 0.0000428400000000, -0.0017278500000000 ] - [ -0.0023133600000000, 0.0021382200000000, 0.0045627100000000 ] - [ -0.0900549000000000, 0.0510589700000000, 0.0819859300000000 ] - [ 0.0020519800000000, 0.0020094200000000, 0.0001661400000000 ] - [ 0.0086128200000000, -0.0013861400000000, -0.0015146600000000 ] - [ 0.0049984500000000, -0.0001804800000000, 0.0057898400000000 ] - [ -0.0009820000000000, 0.0001410900000000, 0.0001583300000000 ] - [ 0.0026282700000000, -0.0035310900000000, 0.0002709800000000 ] - [ 0.0010890700000000, 0.0006271200000000, 0.0008950900000000 ] - [ -0.0008377600000000, 0.0000231200000000, -0.0001555100000000 ] - [ 0.0004315700000000, -0.0003573700000000, -0.0000668100000000 ] - [ -0.0092035400000000, -0.0113258200000000, -0.0093618000000000 ] - [ -0.3349360200000000, 0.0201859400000000, 0.0011332200000000 ] - [ 0.0002897800000000, 0.0004932200000000, -0.0005161100000000 ] - [ -0.0024748500000000, -0.0005516200000000, 0.0006112300000000 ] - [ 0.0003677700000000, -0.0002765000000000, 0.0000759600000000 ] - [ 0.0056534500000000, 0.0083743500000000, -0.0096998900000000 ] - [ -0.0000987500000000, 0.0002029000000000, 0.0000464100000000 ] - [ -0.0009887400000000, -0.0001357100000000, 0.0093498900000000 ] - [ 0.0055013000000000, 0.0000352100000000, 0.0003501100000000 ] - [ 0.0074195300000000, -0.0162104600000000, 0.0017014600000000 ] - [ -0.0002254300000000, 0.0003617400000000, -0.0001417900000000 ] - [ 0.0023035800000000, -0.0029302100000000, 0.0014430800000000 ] - [ 0.0003092600000000, -0.0077725500000000, 0.0004065300000000 ] - [ -0.0001205200000000, 0.0002368700000000, -0.0002940900000000 ]- atom: 26 displacement: [ -0.0049999999911976, 0.0086602540429265, 0.0000000000000000 ] forces: - [ -0.0000979800000000, 0.0003797400000000, 0.0005829900000000 ] - [ 0.0032908100000000, -0.0029768300000000, 0.0010774300000000 ] - [ -0.0043602600000000, -0.0053285500000000, -0.0067777000000000 ] - [ -0.0008111300000000, 0.0024736600000000, -0.0005048300000000 ] - [ -0.0022034400000000, -0.0004080300000000, 0.0002424100000000 ] - [ 0.0043692800000000, -0.0073765000000000, 0.0034748800000000 ] - [ 0.0020035600000000, 0.0007678700000000, -0.0013400300000000 ] - [ 0.0010485900000000, 0.0001308900000000, 0.0011142500000000 ] - [ -0.0033968300000000, 0.0158199500000000, -0.0035554400000000 ] - [ 0.0003777900000000, 0.0005335400000000, -0.0009915700000000 ] - [ 0.0014613600000000, 0.0015824400000000, -0.0008766600000000 ] - [ -0.0006506400000000, 0.0017394800000000, -0.0002925900000000 ] - [ -0.0000652800000000, -0.0000789000000000, 0.0010140200000000 ] - [ -0.0008304700000000, -0.0002746600000000, -0.0018628200000000 ] - [ -0.0117514100000000, 0.0086362800000000, 0.0058046900000000 ] - [ -0.0000302700000000, -0.0000772800000000, 0.0003201800000000 ] - [ -0.0006397600000000, -0.0003656700000000, -0.0003380000000000 ] - [ 0.0049942900000000, 0.0068887500000000, 0.0045702200000000 ] - [ -0.0294864100000000, 0.0100579700000000, 0.0178599800000000 ] - [ 0.0239826500000000, 0.0049726100000000, 0.0210682500000000 ] - [ -0.0096782400000000, 0.0073511600000000, -0.0002422300000000 ] - [ -0.0013722400000000, 0.0015585400000000, 0.0000173700000000 ] - [ -0.0006850400000000, -0.0004198200000000, -0.0007629000000000 ] - [ 0.0004217400000000, -0.0027135400000000, 0.0008083700000000 ] - [ 0.0003893100000000, -0.0013671900000000, -0.0088402100000000 ] - [ 0.3153318700000000, -0.5253083200000001, -0.1100238900000000 ] - [ -0.0433039200000000, -0.0040342800000000, -0.0509842100000000 ] - [ -0.0023028300000000, 0.0106075500000000, 0.0077472600000000 ] - [ -0.0008174100000000, 0.0060414900000000, -0.0001156500000000 ] - [ -0.0026715100000000, -0.0042688000000000, 0.0020115000000000 ] - [ -0.0014678200000000, 0.0023445500000000, 0.0000883400000000 ] - [ -0.0010284000000000, -0.0003428900000000, -0.0000451000000000 ] - [ -0.0048037200000000, 0.0182322600000000, -0.0019715600000000 ] - [ 0.0003970400000000, 0.0051076400000000, 0.0004479200000000 ] - [ -0.0121313000000000, -0.0136871900000000, -0.0031948400000000 ] - [ 0.0006235500000000, -0.0000813400000000, -0.0000397900000000 ] - [ -0.0034868000000000, 0.0012609800000000, 0.0053180200000000 ] - [ 0.0004819100000000, -0.0007719900000000, -0.0005943000000000 ] - [ 0.0014945400000000, -0.0010229100000000, -0.0003727100000000 ] - [ 0.0002367800000000, -0.0000300800000000, 0.0003895600000000 ] - [ -0.0004235100000000, 0.0000702400000000, 0.0001895500000000 ] - [ 0.0015981600000000, -0.0001069000000000, 0.0023723700000000 ] - [ -0.0006674100000000, -0.0013967900000000, 0.0025962100000000 ] - [ 0.0012494400000000, -0.0007337300000000, 0.0002217400000000 ] - [ 0.0008236900000000, -0.0042484500000000, -0.0057738300000000 ] - [ 0.0107013300000000, 0.0039687500000000, -0.0005444300000000 ] - [ -0.0013111500000000, -0.0005705200000000, 0.0022726900000000 ] - [ -0.0003349400000000, 0.0008774200000000, 0.0002174800000000 ] - [ -0.0315529100000000, 0.0920491800000000, -0.0723437500000000 ] - [ -0.0010747900000000, -0.0000922400000000, -0.0009430300000000 ] - [ -0.0005810000000000, 0.0009734000000000, -0.0004040800000000 ] - [ -0.0016295900000000, -0.0073876200000000, 0.0010238000000000 ] - [ 0.0029115400000000, -0.0057039700000000, 0.0006367100000000 ] - [ 0.0101132800000000, 0.0025922900000000, 0.0017154300000000 ] - [ 0.0003439700000000, 0.0002912000000000, -0.0001237400000000 ] - [ 0.0032349500000000, 0.0000434300000000, -0.0000663600000000 ] - [ 0.0001803600000000, -0.0011919400000000, 0.0001908200000000 ] - [ 0.0003491000000000, -0.0011843300000000, -0.0018980000000000 ] - [ -0.0005565900000000, 0.0012248100000000, -0.0014081100000000 ] - [ 0.0000489200000000, -0.0016914000000000, -0.0044513900000000 ] - [ 0.0021855900000000, -0.0022591700000000, -0.0014714700000000 ] - [ -0.0002319500000000, -0.0002469000000000, -0.0017129000000000 ] - [ -0.0012241700000000, 0.0026918200000000, 0.0017203100000000 ] - [ -0.0001546700000000, -0.0002386200000000, -0.0001211700000000 ] - [ 0.0024007100000000, -0.0002311200000000, -0.0011443200000000 ] - [ -0.0004853600000000, -0.0022834800000000, -0.0007207500000000 ] - [ 0.0009425800000000, -0.0040706800000000, 0.0002054100000000 ] - [ 0.0008888000000000, 0.0002190000000000, -0.0002389200000000 ] - [ -0.0007511000000000, -0.0003735800000000, 0.0007613500000000 ] - [ 0.0017066700000000, -0.0016159800000000, -0.0032545900000000 ] - [ 0.0007760500000000, 0.0004701400000000, -0.0004334800000000 ] - [ 0.0324357900000000, 0.1890533300000000, 0.0116452500000000 ] - [ 0.0006246200000000, -0.0015602400000000, 0.0009127500000000 ] - [ 0.0012200400000000, 0.0006638400000000, -0.0034696500000000 ] - [ -0.0047966500000000, 0.0018059200000000, 0.0000187500000000 ] - [ -0.0907347700000000, 0.1555173800000000, 0.1649158500000000 ] - [ 0.0014826300000000, -0.0033730100000000, -0.0002450800000000 ] - [ -0.0063005100000000, 0.0045669600000000, 0.0015369800000000 ] - [ 0.0112064900000000, 0.0187645600000000, -0.0015258100000000 ] - [ -0.0008160400000000, 0.0007467800000000, 0.0004095600000000 ] - [ 0.0093023100000000, -0.0055163000000000, 0.0045614800000000 ] - [ -0.0004602600000000, -0.0006074300000000, -0.0000670200000000 ] - [ -0.0009609500000000, 0.0003889900000000, 0.0001573500000000 ] - [ 0.0002801600000000, -0.0002033500000000, -0.0003307200000000 ] - [ -0.0005107300000000, -0.0055337100000000, -0.0093177500000000 ] - [ -0.1931679600000000, 0.0577135200000000, 0.0080474800000000 ] - [ 0.0000991500000000, 0.0006988600000000, -0.0000310900000000 ] - [ 0.0006023400000000, -0.0026336800000000, 0.0082750300000000 ] - [ -0.0000524100000000, -0.0001779900000000, 0.0001940000000000 ] - [ 0.0018575600000000, 0.0056803700000000, -0.0058555100000000 ] - [ -0.0002636500000000, 0.0002085300000000, 0.0000424700000000 ] - [ 0.0021626500000000, 0.0012647500000000, 0.0176188300000000 ] - [ 0.0032732500000000, 0.0024839500000000, 0.0019280100000000 ] - [ 0.0076477300000000, -0.0112481700000000, 0.0014483300000000 ] - [ -0.0004068600000000, 0.0000310000000000, -0.0003615100000000 ] - [ 0.0015888900000000, -0.0048377600000000, 0.0014139400000000 ] - [ 0.0025408800000000, -0.0093822900000000, 0.0008322300000000 ] - [ -0.0001616600000000, 0.0000884100000000, -0.0000543300000000 ]- atom: 26 displacement: [ 0.0049999999911976, -0.0086602540429265, 0.0000000000000000 ] forces: - [ -0.0000612000000000, -0.0001842700000000, -0.0005774400000000 ] - [ -0.0032032100000000, 0.0032174600000000, -0.0010694500000000 ] - [ 0.0041006300000000, 0.0053960200000000, 0.0067754900000000 ] - [ 0.0009875400000000, -0.0026645800000000, 0.0005198500000000 ] - [ 0.0022117100000000, 0.0004167100000000, -0.0003052200000000 ] - [ -0.0044626800000000, 0.0076020700000000, -0.0034871200000000 ] - [ -0.0018903600000000, -0.0009740800000000, 0.0013472100000000 ] - [ -0.0012829500000000, -0.0001637900000000, -0.0011115300000000 ] - [ 0.0034124000000000, -0.0159899200000000, 0.0036705800000000 ] - [ -0.0005371700000000, -0.0007306000000000, 0.0010033600000000 ] - [ -0.0014612200000000, -0.0015886900000000, 0.0008794600000000 ] - [ 0.0009039400000000, -0.0017873200000000, 0.0003084900000000 ] - [ 0.0000537600000000, 0.0000741700000000, -0.0009602700000000 ] - [ 0.0010654800000000, 0.0003031300000000, 0.0018582000000000 ] - [ 0.0117877700000000, -0.0084132000000000, -0.0057232800000000 ] - [ -0.0000552100000000, -0.0001491200000000, -0.0003410800000000 ] - [ 0.0006406300000000, 0.0003523800000000, 0.0002777400000000 ] - [ -0.0049628500000000, -0.0068977700000000, -0.0045377900000000 ] - [ 0.0294921100000000, -0.0096323600000000, -0.0179742700000000 ] - [ -0.0241662400000000, -0.0052643800000000, -0.0210373500000000 ] - [ 0.0099884000000000, -0.0073597300000000, 0.0001905600000000 ] - [ 0.0010206800000000, -0.0015690800000000, -0.0000170300000000 ] - [ 0.0008616700000000, 0.0001296100000000, 0.0007635400000000 ] - [ -0.0002473400000000, 0.0030256300000000, -0.0008159800000000 ] - [ -0.0004112100000000, 0.0014009000000000, 0.0092331700000000 ] - [ -0.3158148200000000, 0.5247532300000000, 0.1076438200000000 ] - [ 0.0435204200000000, 0.0039266300000000, 0.0510937200000000 ] - [ 0.0022194700000000, -0.0106657700000000, -0.0074609600000000 ] - [ 0.0007855100000000, -0.0062221200000000, -0.0001882100000000 ] - [ 0.0026929900000000, 0.0044429600000000, -0.0016923500000000 ] - [ 0.0014194700000000, -0.0025415300000000, -0.0003989500000000 ] - [ 0.0010452900000000, 0.0003369000000000, -0.0002846700000000 ] - [ 0.0050174200000000, -0.0180777800000000, 0.0016597900000000 ] - [ -0.0005407200000000, -0.0051497200000000, -0.0001709900000000 ] - [ 0.0121199700000000, 0.0135772400000000, 0.0028959000000000 ] - [ -0.0007837700000000, -0.0000614100000000, 0.0003307800000000 ] - [ 0.0034615300000000, -0.0011280600000000, -0.0049952500000000 ] - [ -0.0002540800000000, 0.0007173800000000, 0.0009010400000000 ] - [ -0.0013251300000000, 0.0010906200000000, 0.0000553500000000 ] - [ -0.0004019300000000, 0.0001919900000000, -0.0006978600000000 ] - [ 0.0003995200000000, -0.0000256600000000, -0.0001790200000000 ] - [ -0.0017060800000000, -0.0000897000000000, -0.0019948500000000 ] - [ 0.0005569600000000, 0.0015931700000000, -0.0022312500000000 ] - [ -0.0008862400000000, 0.0008084000000000, 0.0002321000000000 ] - [ -0.0006575800000000, 0.0040308800000000, 0.0061234300000000 ] - [ -0.0104948300000000, -0.0041058400000000, 0.0001587100000000 ] - [ 0.0013031500000000, 0.0002920300000000, -0.0021309400000000 ] - [ 0.0001042600000000, -0.0006024800000000, 0.0002290900000000 ] - [ 0.0307222200000000, -0.0897866900000000, 0.0679135100000000 ] - [ 0.0010102700000000, -0.0001644900000000, 0.0009156500000000 ] - [ 0.0004681600000000, -0.0006356800000000, -0.0000412400000000 ] - [ 0.0014268600000000, 0.0071522600000000, -0.0009772100000000 ] - [ -0.0027774900000000, 0.0058961200000000, -0.0002384600000000 ] - [ -0.0099598900000000, -0.0023930900000000, -0.0020979200000000 ] - [ -0.0001284800000000, -0.0002986800000000, -0.0002597500000000 ] - [ -0.0035796300000000, -0.0001133800000000, -0.0003847600000000 ] - [ 0.0000343300000000, 0.0010434800000000, -0.0001600600000000 ] - [ -0.0002984600000000, 0.0011915800000000, 0.0018939100000000 ] - [ 0.0005265700000000, -0.0009391900000000, 0.0012686200000000 ] - [ -0.0000350000000000, 0.0016997000000000, 0.0046870600000000 ] - [ -0.0019707500000000, 0.0019756600000000, 0.0010333600000000 ] - [ 0.0001865900000000, 0.0002523900000000, 0.0017085800000000 ] - [ 0.0014522400000000, -0.0027101800000000, -0.0013427300000000 ] - [ -0.0000561900000000, 0.0001024700000000, 0.0001509000000000 ] - [ -0.0020400100000000, 0.0001721400000000, 0.0006919200000000 ] - [ 0.0002457300000000, 0.0021172000000000, 0.0005911700000000 ] - [ -0.0009433200000000, 0.0040062200000000, -0.0001714900000000 ] - [ -0.0008896700000000, -0.0002203700000000, 0.0000088600000000 ] - [ 0.0009519700000000, 0.0002391800000000, -0.0008831300000000 ] - [ -0.0016835900000000, 0.0019167700000000, 0.0030913100000000 ] - [ -0.0008944800000000, -0.0002809700000000, 0.0000530400000000 ] - [ -0.0363332600000000, -0.1941388600000000, -0.0120087500000000 ] - [ -0.0005965700000000, 0.0012880000000000, -0.0007856900000000 ] - [ -0.0010389600000000, -0.0004851300000000, 0.0034644200000000 ] - [ 0.0045614500000000, -0.0019183600000000, -0.0001295900000000 ] - [ 0.0889335000000000, -0.1526353500000000, -0.1572490300000000 ] - [ -0.0017992600000000, 0.0034521700000000, 0.0006979000000000 ] - [ 0.0060292700000000, -0.0045470500000000, -0.0019016100000000 ] - [ -0.0111231600000000, -0.0184193400000000, 0.0010484500000000 ] - [ 0.0008646000000000, -0.0004999800000000, -0.0003876500000000 ] - [ -0.0091504800000000, 0.0057124100000000, -0.0045802700000000 ] - [ 0.0002293700000000, 0.0007280800000000, 0.0000372500000000 ] - [ 0.0011967100000000, -0.0002259600000000, -0.0000261800000000 ] - [ -0.0003965400000000, 0.0000166800000000, -0.0000543900000000 ] - [ 0.0002853100000000, 0.0055696200000000, 0.0097650200000000 ] - [ 0.1999337700000000, -0.0564537100000000, -0.0080320000000000 ] - [ -0.0003417100000000, -0.0009727800000000, -0.0004205200000000 ] - [ -0.0005945000000000, 0.0026442400000000, -0.0081174600000000 ] - [ 0.0000331300000000, -0.0000727100000000, -0.0002215900000000 ] - [ -0.0020588900000000, -0.0055276500000000, 0.0057867800000000 ] - [ 0.0001516400000000, -0.0005514700000000, 0.0004123900000000 ] - [ -0.0019403100000000, -0.0013980200000000, -0.0178446200000000 ] - [ -0.0032707800000000, -0.0024687300000000, -0.0021574000000000 ] - [ -0.0075931900000000, 0.0109286500000000, -0.0009782500000000 ] - [ 0.0001833400000000, 0.0000810100000000, 0.0004856000000000 ] - [ -0.0013515300000000, 0.0049396300000000, -0.0012946000000000 ] - [ -0.0022803800000000, 0.0092264700000000, -0.0007825500000000 ] - [ 0.0001336100000000, -0.0001348100000000, 0.0000549000000000 ]- atom: 26 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0002504900000000, 0.0000456300000000, 0.0017419300000000 ] - [ -0.0040546100000000, 0.0013120600000000, 0.0045946500000000 ] - [ 0.0063487500000000, -0.0000034800000000, -0.0025668300000000 ] - [ 0.0000838600000000, -0.0024934100000000, 0.0026883500000000 ] - [ 0.0032420500000000, 0.0001303900000000, 0.0010825300000000 ] - [ 0.0020049300000000, -0.0041049100000000, 0.0205386100000000 ] - [ 0.0001556500000000, 0.0000068700000000, -0.0018041900000000 ] - [ 0.0001834200000000, 0.0004476200000000, 0.0012931400000000 ] - [ -0.0008589300000000, -0.0017762100000000, -0.0043585400000000 ] - [ -0.0000416700000000, 0.0001522300000000, -0.0004992300000000 ] - [ -0.0014019600000000, -0.0020339000000000, 0.0032609400000000 ] - [ 0.0005156000000000, 0.0012891200000000, -0.0003227400000000 ] - [ -0.0000342200000000, 0.0000412200000000, 0.0022592900000000 ] - [ 0.0013164900000000, 0.0000985200000000, 0.0048385800000000 ] - [ -0.0127154200000000, 0.0088703700000000, -0.0027946800000000 ] - [ -0.0000880600000000, -0.0002401400000000, 0.0016755600000000 ] - [ -0.0005475300000000, -0.0003932600000000, 0.0002373900000000 ] - [ 0.0052449300000000, 0.0108974300000000, 0.0045931600000000 ] - [ -0.0073254200000000, -0.0013343800000000, -0.0115261800000000 ] - [ 0.0040943900000000, 0.0133562700000000, -0.0096498400000000 ] - [ 0.0065252200000000, -0.0029460500000000, -0.0118167700000000 ] - [ -0.0002905000000000, 0.0003315200000000, 0.0052610200000000 ] - [ 0.0008232200000000, -0.0008126700000000, 0.0045503300000000 ] - [ -0.0011300500000000, -0.0014721000000000, 0.0073460600000000 ] - [ 0.0011566400000000, -0.0030041700000000, 0.0037998800000000 ] - [ 0.0335973100000000, -0.1185128700000000, -0.5941957200000000 ] - [ 0.0509946700000000, -0.0073646800000000, 0.0777075900000000 ] - [ 0.0034886600000000, 0.0075124900000000, 0.0053524500000000 ] - [ 0.0006031900000000, 0.0016682100000000, -0.0107335500000000 ] - [ -0.0016087600000000, -0.0029784500000000, -0.0007733600000000 ] - [ 0.0001368800000000, -0.0002867500000000, 0.0085771100000000 ] - [ 0.0001842100000000, -0.0001984300000000, 0.0064654300000000 ] - [ 0.0001028100000000, 0.0004279900000000, -0.0107301900000000 ] - [ 0.0013555400000000, -0.0005108000000000, -0.0018177400000000 ] - [ 0.0000785400000000, -0.0017334400000000, -0.0094376200000000 ] - [ 0.0051061700000000, 0.0001251600000000, 0.0109438600000000 ] - [ -0.0042831400000000, 0.0027854800000000, 0.0109057500000000 ] - [ -0.0002362000000000, -0.0010946100000000, 0.0029119700000000 ] - [ -0.0004396400000000, 0.0000812300000000, 0.0084935300000000 ] - [ -0.0006291500000000, 0.0002246400000000, 0.0049204700000000 ] - [ 0.0013692100000000, 0.0012023500000000, -0.0065700100000000 ] - [ -0.0013667900000000, -0.0001118500000000, -0.0014697200000000 ] - [ 0.0004907900000000, 0.0013075800000000, -0.0015348000000000 ] - [ -0.0006217200000000, -0.0002295600000000, -0.0023770700000000 ] - [ -0.0013942900000000, -0.0013339500000000, 0.0019899700000000 ] - [ 0.0001131200000000, -0.0020656200000000, 0.0077555500000000 ] - [ -0.0032178600000000, -0.0030252900000000, 0.0046417800000000 ] - [ 0.0003912900000000, -0.0002647100000000, -0.0022108600000000 ] - [ 0.0244877800000000, -0.0735029200000000, 0.1378164000000000 ] - [ -0.0015655000000000, -0.0016137600000000, 0.0006262100000000 ] - [ -0.0022000500000000, 0.0022800900000000, -0.0031520300000000 ] - [ -0.0005346300000000, -0.0015695700000000, 0.0025846600000000 ] - [ -0.0006251400000000, -0.0004826800000000, 0.0012958000000000 ] - [ -0.0015736500000000, 0.0002834100000000, 0.0018559400000000 ] - [ -0.0006701900000000, -0.0007320400000000, -0.0026684800000000 ] - [ -0.0013334500000000, 0.0005596500000000, 0.0010311200000000 ] - [ -0.0000954100000000, 0.0005744700000000, -0.0024586900000000 ] - [ 0.0001853800000000, -0.0028229800000000, -0.0068569400000000 ] - [ 0.0004917200000000, 0.0005276100000000, -0.0009957400000000 ] - [ -0.0006563400000000, -0.0011625000000000, -0.0032054300000000 ] - [ -0.0000267000000000, -0.0000434400000000, 0.0008969900000000 ] - [ 0.0011269000000000, 0.0021539000000000, 0.0046738000000000 ] - [ 0.0000709900000000, 0.0021037500000000, -0.0029616100000000 ] - [ 0.0004688100000000, -0.0003290000000000, -0.0020345600000000 ] - [ 0.0029071400000000, -0.0002558400000000, -0.0026809700000000 ] - [ 0.0000159600000000, 0.0011904200000000, -0.0007825700000000 ] - [ -0.0020480200000000, 0.0007570900000000, 0.0046807000000000 ] - [ -0.0009357500000000, -0.0001220300000000, -0.0050924200000000 ] - [ 0.0000935400000000, -0.0008748600000000, -0.0005722100000000 ] - [ 0.0030429400000000, -0.0024141300000000, -0.0059692300000000 ] - [ 0.0010765100000000, -0.0000803600000000, -0.0033703000000000 ] - [ 0.0225528100000000, 0.0330630400000000, 0.0624888700000000 ] - [ -0.0010142800000000, 0.0018190200000000, -0.0050792100000000 ] - [ 0.0024117100000000, -0.0001377800000000, -0.0062510200000000 ] - [ -0.0084441800000000, -0.0004693800000000, -0.0078567800000000 ] - [ -0.0830908400000000, 0.1424758500000000, 0.2779965700000000 ] - [ -0.0010438600000000, -0.0001878200000000, 0.0034014800000000 ] - [ -0.0026926700000000, 0.0015052300000000, 0.0046649200000000 ] - [ -0.0161348300000000, -0.0136332400000000, -0.0056345000000000 ] - [ -0.0002694900000000, -0.0004678700000000, -0.0037328900000000 ] - [ -0.0163013200000000, 0.0118064300000000, -0.0080226100000000 ] - [ -0.0026656000000000, -0.0016812100000000, -0.0028504300000000 ] - [ 0.0006797900000000, -0.0009197800000000, -0.0046268600000000 ] - [ -0.0004662500000000, 0.0012288100000000, -0.0029718300000000 ] - [ 0.0040112700000000, -0.0051614300000000, -0.0004967900000000 ] - [ -0.0137733500000000, 0.0110072700000000, 0.0607340400000000 ] - [ 0.0005007000000000, 0.0006803500000000, -0.0015525500000000 ] - [ -0.0004921100000000, 0.0032636900000000, -0.0009264700000000 ] - [ -0.0000476100000000, -0.0002134400000000, -0.0009715600000000 ] - [ 0.0028006600000000, -0.0005887100000000, 0.0024941100000000 ] - [ 0.0001857000000000, 0.0004060600000000, -0.0018887900000000 ] - [ -0.0009038300000000, 0.0011321100000000, -0.0176494500000000 ] - [ 0.0016404600000000, 0.0005857100000000, 0.0044852500000000 ] - [ 0.0001167300000000, 0.0000904200000000, 0.0031644000000000 ] - [ 0.0008116100000000, 0.0001858500000000, -0.0026720600000000 ] - [ 0.0018232900000000, -0.0023273900000000, 0.0042658500000000 ] - [ 0.0018352000000000, -0.0004561700000000, 0.0064929300000000 ] - [ -0.0009036900000000, 0.0005813500000000, -0.0029023100000000 ]- atom: 26 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000910800000000, 0.0001514800000000, -0.0017407100000000 ] - [ 0.0041592700000000, -0.0010792600000000, -0.0046116800000000 ] - [ -0.0065734700000000, 0.0000598200000000, 0.0025412400000000 ] - [ 0.0000812300000000, 0.0022948200000000, -0.0026842600000000 ] - [ -0.0032433900000000, -0.0001193700000000, -0.0011399600000000 ] - [ -0.0020993400000000, 0.0043030100000000, -0.0203092000000000 ] - [ -0.0000648800000000, -0.0002207800000000, 0.0017938800000000 ] - [ -0.0004200800000000, -0.0004756500000000, -0.0012920900000000 ] - [ 0.0008671400000000, 0.0018232700000000, 0.0043863300000000 ] - [ -0.0001110300000000, -0.0003446600000000, 0.0004973300000000 ] - [ 0.0014030400000000, 0.0020399800000000, -0.0032576200000000 ] - [ -0.0002611500000000, -0.0013410600000000, 0.0003149100000000 ] - [ 0.0000232600000000, -0.0000489700000000, -0.0022021600000000 ] - [ -0.0010897700000000, -0.0000739800000000, -0.0048402400000000 ] - [ 0.0128472600000000, -0.0086378900000000, 0.0027721400000000 ] - [ -0.0000073100000000, 0.0000151400000000, -0.0016774700000000 ] - [ 0.0005473100000000, 0.0003804900000000, -0.0003125400000000 ] - [ -0.0052534000000000, -0.0108531700000000, -0.0046079500000000 ] - [ 0.0072215400000000, 0.0016183000000000, 0.0116358700000000 ] - [ -0.0043432100000000, -0.0136960500000000, 0.0097546100000000 ] - [ -0.0061523500000000, 0.0029273100000000, 0.0118482300000000 ] - [ -0.0000547000000000, -0.0003354700000000, -0.0052588800000000 ] - [ -0.0006387100000000, 0.0004977300000000, -0.0045544600000000 ] - [ 0.0012972300000000, 0.0017799200000000, -0.0073416400000000 ] - [ -0.0011546100000000, 0.0029970600000000, -0.0034556600000000 ] - [ -0.0232342600000000, 0.1000507500000000, 0.5894368700000000 ] - [ -0.0510848200000000, 0.0076797200000000, -0.0777604400000000 ] - [ -0.0035460900000000, -0.0076287600000000, -0.0050444200000000 ] - [ -0.0005780800000000, -0.0018451200000000, 0.0104326900000000 ] - [ 0.0016777200000000, 0.0031980500000000, 0.0011230000000000 ] - [ -0.0001844100000000, 0.0000925100000000, -0.0088921500000000 ] - [ -0.0001722600000000, 0.0001907100000000, -0.0067870500000000 ] - [ 0.0000306800000000, -0.0003020900000000, 0.0104361400000000 ] - [ -0.0015349800000000, 0.0004402400000000, 0.0021659500000000 ] - [ -0.0000465200000000, 0.0017258700000000, 0.0090880400000000 ] - [ -0.0052046500000000, -0.0002699200000000, -0.0105916800000000 ] - [ 0.0042408300000000, -0.0025659100000000, -0.0106302600000000 ] - [ 0.0004488100000000, 0.0010280300000000, -0.0026242600000000 ] - [ 0.0006098300000000, -0.0000292300000000, -0.0088015100000000 ] - [ 0.0004603700000000, -0.0000664700000000, -0.0052290200000000 ] - [ -0.0013691900000000, -0.0011966700000000, 0.0065603600000000 ] - [ 0.0012745700000000, -0.0000760700000000, 0.0018533700000000 ] - [ -0.0006116300000000, -0.0011408600000000, 0.0019150800000000 ] - [ 0.0009773000000000, 0.0002888500000000, 0.0028289700000000 ] - [ 0.0015039400000000, 0.0011654300000000, -0.0016217500000000 ] - [ 0.0000019800000000, 0.0019021100000000, -0.0081363900000000 ] - [ 0.0031897000000000, 0.0027244900000000, -0.0044690000000000 ] - [ -0.0006211200000000, 0.0005511500000000, 0.0026630400000000 ] - [ -0.0273423600000000, 0.0797674600000000, -0.1461220300000000 ] - [ 0.0015400000000000, 0.0013669100000000, -0.0006633000000000 ] - [ 0.0020618400000000, -0.0019262100000000, 0.0026906500000000 ] - [ 0.0003240400000000, 0.0013839900000000, -0.0025546100000000 ] - [ 0.0007418900000000, 0.0007011900000000, -0.0009365500000000 ] - [ 0.0016792200000000, -0.0000825800000000, -0.0022349100000000 ] - [ 0.0008772900000000, 0.0007106200000000, 0.0022910900000000 ] - [ 0.0009528200000000, -0.0006316100000000, -0.0015058600000000 ] - [ 0.0003198800000000, -0.0007205300000000, 0.0024998000000000 ] - [ -0.0001824300000000, 0.0028228600000000, 0.0068671500000000 ] - [ -0.0005415000000000, -0.0002338500000000, 0.0008293900000000 ] - [ 0.0006642600000000, 0.0011787300000000, 0.0034385800000000 ] - [ 0.0002426700000000, -0.0002327400000000, -0.0013577600000000 ] - [ -0.0011293700000000, -0.0021644700000000, -0.0046997500000000 ] - [ 0.0001394100000000, -0.0020717700000000, 0.0033264600000000 ] - [ -0.0006715500000000, 0.0001781300000000, 0.0020621400000000 ] - [ -0.0025583800000000, 0.0002003500000000, 0.0022434000000000 ] - [ -0.0002598200000000, -0.0013764500000000, 0.0006126200000000 ] - [ 0.0020600400000000, -0.0007563200000000, -0.0047085400000000 ] - [ 0.0009383400000000, 0.0001208100000000, 0.0048629100000000 ] - [ 0.0001232300000000, 0.0007231300000000, 0.0004404000000000 ] - [ -0.0030186700000000, 0.0027169400000000, 0.0058560000000000 ] - [ -0.0011661900000000, 0.0002722100000000, 0.0029953600000000 ] - [ -0.0216712800000000, -0.0312954300000000, -0.0614619900000000 ] - [ 0.0010600800000000, -0.0021162500000000, 0.0052359700000000 ] - [ -0.0021877100000000, 0.0002783900000000, 0.0062058000000000 ] - [ 0.0081087700000000, 0.0003459200000000, 0.0076593900000000 ] - [ 0.0771080400000000, -0.1324127800000000, -0.2656418400000000 ] - [ 0.0006822100000000, 0.0002445500000000, -0.0029503500000000 ] - [ 0.0024618600000000, -0.0015241500000000, -0.0050505500000000 ] - [ 0.0162761400000000, 0.0139598800000000, 0.0051763400000000 ] - [ 0.0003087600000000, 0.0007265800000000, 0.0037667100000000 ] - [ 0.0164186500000000, -0.0116284500000000, 0.0079250900000000 ] - [ 0.0024162500000000, 0.0017954100000000, 0.0028099100000000 ] - [ -0.0004391300000000, 0.0011041300000000, 0.0047857200000000 ] - [ 0.0003405300000000, -0.0013875800000000, 0.0025829300000000 ] - [ -0.0042715000000000, 0.0052888500000000, 0.0008909200000000 ] - [ 0.0116033300000000, -0.0104527500000000, -0.0605505900000000 ] - [ -0.0007308200000000, -0.0009491600000000, 0.0010996300000000 ] - [ 0.0004833200000000, -0.0032355900000000, 0.0011516800000000 ] - [ 0.0000229900000000, -0.0000390700000000, 0.0009450100000000 ] - [ -0.0030551800000000, 0.0007227900000000, -0.0025599900000000 ] - [ -0.0002989100000000, -0.0007433600000000, 0.0023476100000000 ] - [ 0.0011847700000000, -0.0012843700000000, 0.0174617600000000 ] - [ -0.0016406900000000, -0.0005868400000000, -0.0046847700000000 ] - [ 0.0000252900000000, -0.0004630400000000, -0.0027172900000000 ] - [ -0.0010538900000000, -0.0000772200000000, 0.0028187100000000 ] - [ -0.0015459300000000, 0.0024453500000000, -0.0041046300000000 ] - [ -0.0016049500000000, 0.0003414500000000, -0.0064571000000000 ] - [ 0.0009056300000000, -0.0005829100000000, 0.0029096400000000 ]- atom: 41 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0014178100000000, 0.0006455100000000, -0.0011066600000000 ] - [ 0.0000657500000000, -0.0002523400000000, 0.0016664400000000 ] - [ -0.0000492900000000, 0.0000565600000000, 0.0016280800000000 ] - [ 0.0000347400000000, 0.0000203300000000, 0.0003061600000000 ] - [ -0.0000324500000000, -0.0000209100000000, 0.0000765900000000 ] - [ 0.0009184200000000, 0.0001369600000000, -0.0019672300000000 ] - [ -0.0000164600000000, -0.0000450300000000, 0.0002921000000000 ] - [ -0.0002121000000000, -0.0000624500000000, 0.0001793500000000 ] - [ -0.0000046300000000, -0.0000187700000000, 0.0002335100000000 ] - [ 0.0004043300000000, -0.0028948300000000, 0.0016852600000000 ] - [ -0.0001008500000000, 0.0010990200000000, 0.0009437100000000 ] - [ 0.0002981400000000, 0.0007809100000000, 0.0001268700000000 ] - [ 0.0003673700000000, -0.0014585800000000, -0.0000699900000000 ] - [ -0.0026151100000000, 0.0019799200000000, 0.0021333400000000 ] - [ -0.0001735600000000, -0.0000158700000000, -0.0000580600000000 ] - [ 0.0000929400000000, 0.0001676900000000, -0.0001604900000000 ] - [ -0.0038546500000000, -0.0001799700000000, 0.0003814500000000 ] - [ 0.0009070900000000, -0.0003873400000000, 0.0001718900000000 ] - [ 0.0003362200000000, 0.0002284600000000, 0.0014326000000000 ] - [ -0.0004814400000000, -0.0003643200000000, 0.0012070200000000 ] - [ -0.0001676700000000, -0.0001882500000000, 0.0012220700000000 ] - [ -0.0070905600000000, -0.0045785000000000, -0.0061721300000000 ] - [ 0.0031112300000000, 0.0074822500000000, -0.0086417400000000 ] - [ -0.0087849400000000, -0.0056984500000000, -0.0072180400000000 ] - [ 0.0019684000000000, -0.0052400100000000, -0.0006508300000000 ] - [ 0.0004753500000000, -0.0001159400000000, 0.0012228100000000 ] - [ -0.0011219000000000, -0.0000602200000000, 0.0026969400000000 ] - [ -0.0000888400000000, -0.0003485600000000, 0.0016795100000000 ] - [ -0.0003702600000000, -0.0008585600000000, 0.0022053600000000 ] - [ 0.0004967800000000, 0.0005460800000000, 0.0018858000000000 ] - [ -0.0022452300000000, 0.0021151400000000, -0.0005391600000000 ] - [ -0.0058416900000000, 0.0020349800000000, -0.0020390100000000 ] - [ 0.0002312700000000, 0.0003038700000000, 0.0008083600000000 ] - [ 0.0000140500000000, 0.0000916200000000, 0.0010621300000000 ] - [ -0.0003091600000000, 0.0000102300000000, 0.0023614200000000 ] - [ 0.0952599000000000, -0.0117090300000000, -0.0813441100000000 ] - [ -0.0058839500000000, 0.0030807600000000, -0.0022789700000000 ] - [ -0.0022401100000000, -0.0002849700000000, -0.0019066500000000 ] - [ 0.0452429800000000, 0.0099831600000000, -0.0259577200000000 ] - [ -0.0001819600000000, -0.0033139100000000, -0.0014678000000000 ] - [ -0.1690928900000000, -0.0168227100000000, 0.1782052500000000 ] - [ -0.0015015000000000, -0.0005182700000000, 0.0006406400000000 ] - [ 0.0011436900000000, 0.0037531500000000, 0.0003471400000000 ] - [ 0.0016414600000000, 0.0001258300000000, 0.0008264300000000 ] - [ 0.0004161700000000, -0.0000578000000000, -0.0003880900000000 ] - [ 0.0003959100000000, 0.0004533000000000, -0.0010630800000000 ] - [ 0.0000103300000000, 0.0006224400000000, -0.0017297600000000 ] - [ -0.0112362700000000, 0.0016592600000000, 0.0037360000000000 ] - [ -0.0003230800000000, 0.0003078800000000, -0.0013485700000000 ] - [ -0.0000651800000000, -0.0001930800000000, -0.0003857900000000 ] - [ 0.0161701400000000, -0.0163997800000000, -0.0156962500000000 ] - [ -0.0000369800000000, 0.0003922800000000, -0.0006172100000000 ] - [ -0.0000369100000000, 0.0004417500000000, -0.0004131900000000 ] - [ -0.0002150300000000, -0.0000345100000000, -0.0011146000000000 ] - [ 0.0015213800000000, -0.0002145600000000, 0.0017630700000000 ] - [ -0.0004451800000000, -0.0000634400000000, -0.0006777400000000 ] - [ -0.0000683400000000, -0.0006233900000000, 0.0005701900000000 ] - [ 0.0020584800000000, -0.0007928800000000, 0.0007795300000000 ] - [ -0.0004833600000000, -0.0001318700000000, -0.0008917100000000 ] - [ -0.0000699000000000, 0.0006139200000000, -0.0008964800000000 ] - [ 0.0000905100000000, -0.0002293100000000, -0.0005899400000000 ] - [ -0.0000352300000000, -0.0004745400000000, -0.0014069600000000 ] - [ -0.0007019400000000, 0.0049269000000000, 0.0032415400000000 ] - [ -0.0009218100000000, 0.0024952100000000, 0.0018656200000000 ] - [ 0.0045933000000000, -0.0001793000000000, -0.0000934400000000 ] - [ -0.0002370400000000, -0.0003856500000000, -0.0004905800000000 ] - [ 0.0002008000000000, 0.0000391100000000, -0.0006622800000000 ] - [ 0.0009042900000000, -0.0003264000000000, 0.0008061500000000 ] - [ 0.0000306900000000, 0.0006710100000000, 0.0001501300000000 ] - [ 0.0005752100000000, -0.0007569700000000, 0.0007914000000000 ] - [ 0.0053057700000000, -0.0003792900000000, -0.0003641700000000 ] - [ 0.0000416400000000, 0.0001053300000000, -0.0001454500000000 ] - [ 0.0010544600000000, -0.0014677800000000, 0.0001231700000000 ] - [ 0.0039638800000000, -0.0015927400000000, 0.0024688700000000 ] - [ -0.0075895300000000, -0.0006583500000000, -0.0002841500000000 ] - [ -0.0005364100000000, -0.0000989400000000, -0.0004416900000000 ] - [ 0.0002370500000000, 0.0001799000000000, -0.0003979900000000 ] - [ 0.0002530100000000, -0.0004076800000000, -0.0010463800000000 ] - [ 0.0004994400000000, 0.0005577200000000, -0.0009032900000000 ] - [ 0.0239386900000000, 0.0188946400000000, -0.0237146900000000 ] - [ 0.0006821400000000, -0.0002056600000000, -0.0007198700000000 ] - [ 0.0165961200000000, 0.0124353400000000, -0.0187140400000000 ] - [ -0.0084561100000000, 0.0014767100000000, -0.0075158400000000 ] - [ 0.0044240500000000, -0.0017481000000000, 0.0031607000000000 ] - [ -0.0003075700000000, 0.0000404000000000, -0.0004957400000000 ] - [ -0.0003171100000000, -0.0000066600000000, -0.0007147000000000 ] - [ 0.0015459700000000, 0.0005287500000000, 0.0007502900000000 ] - [ -0.0003807200000000, 0.0008663000000000, 0.0006572400000000 ] - [ 0.0017061900000000, -0.0020253000000000, 0.0005109600000000 ] - [ -0.0004653700000000, 0.0000158800000000, -0.0009650400000000 ] - [ 0.0015801300000000, 0.0031522700000000, 0.0005059100000000 ] - [ 0.0008719900000000, -0.0004342100000000, -0.0020615600000000 ] - [ 0.0010728000000000, -0.0000611600000000, -0.0022261300000000 ] - [ -0.0000249300000000, -0.0002161100000000, -0.0001699300000000 ] - [ -0.0003374200000000, 0.0003270100000000, 0.0004257000000000 ] - [ -0.0001504400000000, -0.0001243200000000, -0.0004165700000000 ] - [ 0.0000501100000000, -0.0001252500000000, -0.0002948900000000 ] - [ 0.0006844400000000, 0.0000071300000000, 0.0017016500000000 ]- atom: 41 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0015405100000000, -0.0004383300000000, 0.0011092200000000 ] - [ 0.0000255200000000, 0.0004577100000000, -0.0016359000000000 ] - [ -0.0001959300000000, -0.0000023300000000, -0.0016404000000000 ] - [ 0.0001465800000000, -0.0002054900000000, -0.0002797400000000 ] - [ 0.0000429200000000, 0.0000285900000000, -0.0001458400000000 ] - [ -0.0010145800000000, 0.0000864400000000, 0.0019770000000000 ] - [ 0.0000943500000000, -0.0001730100000000, -0.0003034800000000 ] - [ -0.0000223400000000, 0.0000369300000000, -0.0001774200000000 ] - [ 0.0000066300000000, 0.0000312200000000, -0.0001593900000000 ] - [ -0.0005592800000000, 0.0026920100000000, -0.0016532200000000 ] - [ 0.0000920500000000, -0.0010822200000000, -0.0009423700000000 ] - [ -0.0000457300000000, -0.0008342100000000, -0.0001102600000000 ] - [ -0.0003994900000000, 0.0014304200000000, 0.0001375600000000 ] - [ 0.0028395500000000, -0.0019559200000000, -0.0021213300000000 ] - [ 0.0003067100000000, 0.0002238500000000, 0.0000804300000000 ] - [ -0.0001703700000000, -0.0003968000000000, 0.0001358500000000 ] - [ 0.0038405700000000, 0.0001681500000000, -0.0004486700000000 ] - [ -0.0009079800000000, 0.0003907600000000, -0.0001671600000000 ] - [ -0.0004979700000000, 0.0000590600000000, -0.0014189400000000 ] - [ 0.0003082000000000, 0.0000710100000000, -0.0011998500000000 ] - [ 0.0005068000000000, 0.0001884700000000, -0.0012141300000000 ] - [ 0.0067137700000000, 0.0045411600000000, 0.0061176900000000 ] - [ -0.0028721900000000, -0.0077530500000000, 0.0085344300000000 ] - [ 0.0089438400000000, 0.0059957000000000, 0.0071868600000000 ] - [ -0.0019931300000000, 0.0052354300000000, 0.0009815600000000 ] - [ -0.0006908600000000, 0.0001814800000000, -0.0015122600000000 ] - [ 0.0012777000000000, -0.0000921800000000, -0.0023781800000000 ] - [ 0.0000816100000000, 0.0003500500000000, -0.0013322100000000 ] - [ 0.0004044000000000, 0.0006729200000000, -0.0024952200000000 ] - [ -0.0004377200000000, -0.0003493400000000, -0.0015611800000000 ] - [ 0.0021899300000000, -0.0023338700000000, 0.0002092300000000 ] - [ 0.0058406000000000, -0.0020091900000000, 0.0016856100000000 ] - [ -0.0000877400000000, -0.0001609900000000, -0.0011032200000000 ] - [ -0.0001914700000000, -0.0001541700000000, -0.0007491300000000 ] - [ 0.0003141300000000, -0.0000166400000000, -0.0026749900000000 ] - [ -0.0933793500000000, 0.0113778500000000, 0.0772250000000000 ] - [ 0.0058425700000000, -0.0029243000000000, 0.0025812000000000 ] - [ 0.0024526200000000, 0.0002213500000000, 0.0021975800000000 ] - [ -0.0448549500000000, -0.0098781200000000, 0.0258176800000000 ] - [ 0.0000157300000000, 0.0034619400000000, 0.0011485000000000 ] - [ 0.1665168800000000, 0.0173072900000000, -0.1733701000000000 ] - [ 0.0013734800000000, 0.0003235200000000, -0.0002371500000000 ] - [ -0.0012444000000000, -0.0035161200000000, 0.0000300600000000 ] - [ -0.0012609300000000, -0.0000281300000000, -0.0003586100000000 ] - [ -0.0002700900000000, -0.0001432000000000, 0.0007546600000000 ] - [ -0.0002848400000000, -0.0006582700000000, 0.0006708800000000 ] - [ -0.0000271500000000, -0.0008959000000000, 0.0018408000000000 ] - [ 0.0109922600000000, -0.0012316400000000, -0.0033644400000000 ] - [ 0.0003676700000000, -0.0002227000000000, 0.0013374500000000 ] - [ -0.0000019900000000, -0.0000610200000000, 0.0003489300000000 ] - [ -0.0159772300000000, 0.0163117000000000, 0.0148967500000000 ] - [ -0.0001504400000000, -0.0005726900000000, 0.0006463000000000 ] - [ 0.0001424500000000, -0.0002317800000000, 0.0007986100000000 ] - [ 0.0003321000000000, 0.0002258200000000, 0.0007097900000000 ] - [ -0.0012947600000000, 0.0002236300000000, -0.0021340400000000 ] - [ 0.0000721400000000, -0.0000148500000000, 0.0002222500000000 ] - [ 0.0002666900000000, 0.0004843700000000, -0.0005342900000000 ] - [ -0.0019690400000000, 0.0008095900000000, -0.0007621700000000 ] - [ 0.0004591600000000, 0.0003861600000000, 0.0007666700000000 ] - [ 0.0000725000000000, -0.0006057300000000, 0.0011229700000000 ] - [ 0.0001487200000000, -0.0000442300000000, 0.0001454100000000 ] - [ -0.0000642100000000, 0.0004696800000000, 0.0013948100000000 ] - [ 0.0009318300000000, -0.0049513800000000, -0.0028495800000000 ] - [ 0.0006923000000000, -0.0026026400000000, -0.0018138700000000 ] - [ -0.0042077800000000, 0.0001049200000000, -0.0003566900000000 ] - [ 0.0000101500000000, 0.0002384100000000, 0.0003699500000000 ] - [ -0.0001496800000000, -0.0001246700000000, 0.0006543600000000 ] - [ -0.0009064600000000, 0.0003210500000000, -0.0010376300000000 ] - [ 0.0001672800000000, -0.0007849200000000, -0.0002602500000000 ] - [ -0.0005585400000000, 0.0010311500000000, -0.0009154600000000 ] - [ -0.0054264100000000, 0.0005667700000000, -0.0000181400000000 ] - [ 0.0002189500000000, 0.0001606000000000, 0.0005983500000000 ] - [ -0.0010311900000000, 0.0012048300000000, -0.0000037500000000 ] - [ -0.0038201200000000, 0.0017592300000000, -0.0024959400000000 ] - [ 0.0072341000000000, 0.0005076200000000, 0.0002293200000000 ] - [ 0.0003357300000000, 0.0002167900000000, 0.0005438500000000 ] - [ -0.0005989100000000, -0.0001062000000000, 0.0008386200000000 ] - [ -0.0004973400000000, 0.0004300700000000, 0.0006642900000000 ] - [ -0.0003963100000000, -0.0001969200000000, 0.0004410600000000 ] - [ -0.0243081900000000, -0.0189402200000000, 0.0241540200000000 ] - [ -0.0004675900000000, 0.0003255800000000, 0.0006902600000000 ] - [ -0.0164450700000000, -0.0119772500000000, 0.0182408100000000 ] - [ 0.0088030700000000, -0.0013114700000000, 0.0074937000000000 ] - [ -0.0044733500000000, 0.0015109900000000, -0.0034958200000000 ] - [ 0.0000764000000000, -0.0000533000000000, 0.0008788700000000 ] - [ 0.0003217500000000, 0.0002453500000000, 0.0007255100000000 ] - [ -0.0017864200000000, -0.0007946300000000, -0.0011928300000000 ] - [ 0.0003826500000000, -0.0008638600000000, -0.0004182400000000 ] - [ -0.0017005300000000, 0.0017708400000000, -0.0005285800000000 ] - [ 0.0002591900000000, 0.0001387100000000, 0.0009314400000000 ] - [ -0.0016787900000000, -0.0034927900000000, -0.0000507000000000 ] - [ -0.0006523500000000, 0.0003187400000000, 0.0019372800000000 ] - [ -0.0010690800000000, 0.0000598100000000, 0.0019664800000000 ] - [ 0.0001397300000000, -0.0001332600000000, 0.0006110900000000 ] - [ 0.0001317600000000, -0.0002130600000000, -0.0003116800000000 ] - [ 0.0003838300000000, 0.0002386700000000, 0.0005226100000000 ] - [ 0.0001904700000000, 0.0000281300000000, 0.0003206800000000 ] - [ -0.0007292300000000, -0.0000895700000000, -0.0016898600000000 ]- atom: 41 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0052723300000000, -0.0032966400000000, -0.0001733400000000 ] - [ 0.0012028800000000, 0.0027220500000000, -0.0060567300000000 ] - [ 0.0026926400000000, -0.0002783400000000, -0.0060544800000000 ] - [ 0.0001102000000000, -0.0001620400000000, -0.0005991000000000 ] - [ -0.0001499200000000, 0.0001189800000000, -0.0008338500000000 ] - [ -0.0055551400000000, -0.0026766300000000, -0.0001916700000000 ] - [ 0.0000117300000000, -0.0000524200000000, -0.0005922200000000 ] - [ 0.0000952900000000, -0.0003736900000000, -0.0005177100000000 ] - [ 0.0000225600000000, -0.0001833500000000, -0.0007615100000000 ] - [ 0.0000371800000000, 0.0037338400000000, -0.0017425400000000 ] - [ 0.0017530200000000, -0.0039298400000000, -0.0020813800000000 ] - [ -0.0000377300000000, -0.0004503000000000, 0.0000531900000000 ] - [ 0.0016156600000000, 0.0034299900000000, -0.0000092300000000 ] - [ 0.0034985800000000, -0.0018027300000000, -0.0017292900000000 ] - [ -0.0001440300000000, 0.0004698700000000, -0.0005007700000000 ] - [ -0.0004971500000000, -0.0000456000000000, 0.0000591200000000 ] - [ 0.0038011400000000, -0.0003124900000000, -0.0000879500000000 ] - [ -0.0025134900000000, 0.0034616700000000, -0.0020808900000000 ] - [ -0.0003015900000000, 0.0000308500000000, -0.0051116100000000 ] - [ 0.0002297700000000, 0.0000651600000000, -0.0035449400000000 ] - [ 0.0005170300000000, 0.0001649300000000, -0.0035477100000000 ] - [ 0.0069567700000000, 0.0037828600000000, 0.0132489400000000 ] - [ -0.0079710700000000, -0.0048288900000000, 0.0168234800000000 ] - [ 0.0069217300000000, 0.0044329600000000, 0.0132653800000000 ] - [ 0.0015684700000000, 0.0016187000000000, 0.0020366000000000 ] - [ -0.0019782200000000, -0.0008350300000000, -0.0067087100000000 ] - [ 0.0019841400000000, -0.0001649900000000, -0.0067106900000000 ] - [ 0.0003765800000000, 0.0009360100000000, -0.0039980400000000 ] - [ 0.0008869900000000, 0.0015891800000000, -0.0070133700000000 ] - [ -0.0016765300000000, -0.0011001400000000, -0.0064164000000000 ] - [ 0.0015866600000000, 0.0006088200000000, 0.0045502500000000 ] - [ 0.0022013700000000, 0.0005554000000000, 0.0017320500000000 ] - [ 0.0000147300000000, -0.0002333000000000, -0.0030608800000000 ] - [ -0.0003813700000000, 0.0000776000000000, -0.0027497700000000 ] - [ 0.0009904900000000, -0.0001381300000000, -0.0043465000000000 ] - [ -0.0668645200000000, 0.0075796200000000, 0.1380965600000000 ] - [ 0.0022143000000000, 0.0007772700000000, 0.0048297800000000 ] - [ 0.0015462800000000, 0.0010080900000000, 0.0048338700000000 ] - [ -0.0295344100000000, -0.0677867700000000, 0.1458381600000000 ] - [ 0.0016307400000000, 0.0016789000000000, 0.0045446200000000 ] - [ 0.1737633100000000, 0.1051532300000000, -0.4006520100000000 ] - [ -0.0004028400000000, -0.0000858400000000, -0.0026207000000000 ] - [ -0.0017019800000000, -0.0029331300000000, -0.0010650300000000 ] - [ -0.0009312900000000, -0.0007566800000000, -0.0017250200000000 ] - [ -0.0010013400000000, 0.0000169100000000, 0.0019602600000000 ] - [ -0.0003761900000000, -0.0010850000000000, 0.0015828600000000 ] - [ -0.0014188700000000, -0.0032014800000000, 0.0047187300000000 ] - [ 0.0042910100000000, -0.0238261800000000, -0.0004552800000000 ] - [ 0.0013535500000000, -0.0008163900000000, 0.0045728900000000 ] - [ 0.0001436700000000, 0.0000599600000000, 0.0010840700000000 ] - [ -0.0185400800000000, 0.0159627700000000, -0.0007328500000000 ] - [ -0.0001267000000000, -0.0013326700000000, 0.0018931100000000 ] - [ 0.0003748700000000, -0.0008095300000000, 0.0018492600000000 ] - [ 0.0000553700000000, 0.0005099800000000, 0.0020989400000000 ] - [ -0.0000461300000000, -0.0003034800000000, -0.0030090500000000 ] - [ 0.0009435900000000, 0.0001081200000000, 0.0014281700000000 ] - [ 0.0008539700000000, -0.0017349300000000, -0.0014696600000000 ] - [ -0.0008921900000000, -0.0014227900000000, -0.0041979500000000 ] - [ 0.0015908700000000, 0.0012032200000000, 0.0033912100000000 ] - [ -0.0004202400000000, -0.0013832500000000, 0.0030961500000000 ] - [ 0.0002145800000000, -0.0001799600000000, 0.0009887700000000 ] - [ -0.0000859900000000, 0.0015861800000000, 0.0045771600000000 ] - [ 0.0022101400000000, -0.0002603800000000, -0.0036214300000000 ] - [ 0.0015302300000000, -0.0002639400000000, -0.0032994800000000 ] - [ -0.0031605600000000, -0.0004571600000000, -0.0018210800000000 ] - [ 0.0001289600000000, 0.0005095200000000, 0.0012195700000000 ] - [ -0.0006444900000000, -0.0004065600000000, 0.0021316100000000 ] - [ 0.0000033200000000, -0.0001004600000000, -0.0008590500000000 ] - [ 0.0005143200000000, -0.0021317000000000, -0.0010655700000000 ] - [ 0.0005634600000000, 0.0003165100000000, -0.0011965600000000 ] - [ -0.0035263200000000, 0.0001906900000000, -0.0014551000000000 ] - [ 0.0008166600000000, 0.0010272300000000, 0.0018758300000000 ] - [ -0.0015768300000000, 0.0012594600000000, -0.0009469400000000 ] - [ 0.0007436400000000, 0.0015996900000000, -0.0033176200000000 ] - [ -0.0109640000000000, 0.0019625800000000, 0.0443900700000000 ] - [ 0.0016080100000000, 0.0009187200000000, 0.0035135100000000 ] - [ -0.0014283800000000, -0.0001756200000000, 0.0021580300000000 ] - [ -0.0007474600000000, 0.0007406900000000, 0.0014660800000000 ] - [ -0.0007658000000000, -0.0008007800000000, 0.0017128500000000 ] - [ -0.0257553200000000, -0.0165068700000000, 0.0077203200000000 ] - [ -0.0010034900000000, 0.0006698800000000, 0.0018700000000000 ] - [ -0.0270653900000000, -0.0138259300000000, 0.0077383300000000 ] - [ -0.0035625000000000, -0.0104593700000000, 0.0457685400000000 ] - [ 0.0007650400000000, 0.0018347700000000, -0.0040236400000000 ] - [ 0.0002288700000000, -0.0002307400000000, 0.0024838700000000 ] - [ 0.0004264800000000, 0.0010716900000000, 0.0035623300000000 ] - [ -0.0013808000000000, -0.0007025500000000, -0.0021731700000000 ] - [ -0.0000841800000000, 0.0000504000000000, -0.0006065800000000 ] - [ -0.0010817000000000, 0.0013626000000000, -0.0015019200000000 ] - [ 0.0009383000000000, -0.0000283800000000, 0.0035436900000000 ] - [ -0.0020891200000000, -0.0028730100000000, -0.0013721700000000 ] - [ -0.0032598400000000, 0.0002495900000000, 0.0045894000000000 ] - [ -0.0014107000000000, 0.0003254400000000, 0.0028757800000000 ] - [ 0.0000713400000000, -0.0000937600000000, 0.0014393400000000 ] - [ 0.0003262900000000, 0.0004508900000000, -0.0010761400000000 ] - [ 0.0007548300000000, -0.0000230600000000, 0.0013539600000000 ] - [ 0.0003609000000000, -0.0000017100000000, 0.0011155900000000 ] - [ -0.0017143500000000, -0.0001188500000000, -0.0041970400000000 ]- atom: 42 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000754200000000, -0.0004493600000000, 0.0000170500000000 ] - [ 0.0001373800000000, 0.0001135800000000, -0.0004112200000000 ] - [ 0.0001786100000000, -0.0002870700000000, 0.0003617200000000 ] - [ 0.0003868300000000, -0.0000552900000000, -0.0008146500000000 ] - [ -0.0000259100000000, -0.0000555100000000, -0.0004103100000000 ] - [ 0.0003532800000000, 0.0043122900000000, -0.0016543100000000 ] - [ -0.0010562000000000, -0.0002368500000000, 0.0007839500000000 ] - [ -0.0002814700000000, -0.0000022000000000, -0.0000665800000000 ] - [ 0.0009058200000000, -0.0000319200000000, -0.0045989700000000 ] - [ -0.0043045700000000, -0.0026706500000000, -0.0024666500000000 ] - [ -0.0004695800000000, 0.0001009200000000, -0.0004434400000000 ] - [ 0.0090768800000000, -0.0002128100000000, -0.0004366400000000 ] - [ 0.0016601900000000, 0.0003099600000000, 0.0016892800000000 ] - [ -0.0001413000000000, 0.0006761300000000, -0.0001196900000000 ] - [ 0.0002492100000000, 0.0003107100000000, 0.0003566300000000 ] - [ -0.0014506600000000, -0.0004777500000000, -0.0013538700000000 ] - [ -0.0016680200000000, -0.0013291400000000, 0.0005006300000000 ] - [ -0.0005355800000000, 0.0007669900000000, 0.0006721100000000 ] - [ 0.0006163200000000, 0.0000472100000000, -0.0007778500000000 ] - [ -0.0011955300000000, -0.0000712200000000, -0.0012909600000000 ] - [ 0.0010560300000000, -0.0005168100000000, -0.0009281300000000 ] - [ 0.0019396000000000, -0.0122173900000000, 0.0089662800000000 ] - [ 0.0176454000000000, 0.0082185600000000, 0.0099958000000000 ] - [ -0.0107083900000000, 0.0056845900000000, 0.0086253200000000 ] - [ 0.2420910400000000, -0.0091388400000000, 0.0777975400000000 ] - [ 0.0002160100000000, 0.0021060400000000, -0.0014677200000000 ] - [ -0.0002014400000000, 0.0002890200000000, -0.0011792300000000 ] - [ 0.0003638800000000, -0.0000570700000000, -0.0009592200000000 ] - [ -0.0016578200000000, -0.0009511900000000, -0.0014830500000000 ] - [ 0.0001379200000000, -0.0002874300000000, -0.0008565000000000 ] - [ 0.0093470500000000, 0.0110844500000000, -0.0025868400000000 ] - [ -0.0020693400000000, -0.0034776700000000, -0.0012739000000000 ] - [ 0.0030665900000000, -0.0003031500000000, 0.0016704100000000 ] - [ -0.0006860900000000, -0.0006332200000000, -0.0009685300000000 ] - [ -0.0002011400000000, -0.0002400300000000, 0.0010368100000000 ] - [ 0.0069638100000000, -0.0105448700000000, 0.0027356600000000 ] - [ 0.0033203500000000, 0.0082612100000000, 0.0018499800000000 ] - [ -0.0196618800000000, 0.0001371600000000, -0.0014857300000000 ] - [ 0.0049755800000000, -0.0036364700000000, 0.0012842500000000 ] - [ -0.0065075900000000, -0.0008866700000000, 0.0000024000000000 ] - [ -0.0014558100000000, 0.0014488000000000, -0.0003336300000000 ] - [ -0.3810606800000000, 0.0002169600000000, -0.1232064400000000 ] - [ 0.0341004700000000, 0.0187136900000000, 0.0017336400000000 ] - [ -0.0062529100000000, -0.0001607700000000, -0.0023914000000000 ] - [ -0.0001805600000000, -0.0000551400000000, 0.0007783800000000 ] - [ 0.0001255900000000, 0.0002573900000000, -0.0004334800000000 ] - [ 0.0007868200000000, 0.0002282300000000, 0.0003844200000000 ] - [ -0.0069481500000000, 0.0056578300000000, 0.0040143400000000 ] - [ 0.0003696600000000, -0.0005099300000000, 0.0010622700000000 ] - [ 0.0004956500000000, 0.0000066500000000, 0.0003800000000000 ] - [ -0.0006841700000000, 0.0164615700000000, -0.0028183900000000 ] - [ 0.0006519400000000, -0.0000806400000000, 0.0005276800000000 ] - [ -0.0001605500000000, 0.0000526700000000, 0.0006569900000000 ] - [ -0.0001645000000000, 0.0001877600000000, -0.0003899700000000 ] - [ 0.0021165500000000, 0.0025728600000000, 0.0016094100000000 ] - [ -0.0002198800000000, 0.0001982900000000, 0.0001612800000000 ] - [ 0.0018725000000000, -0.0093656700000000, 0.0121138900000000 ] - [ -0.0009987800000000, -0.0048047200000000, -0.0012628900000000 ] - [ 0.0001368000000000, 0.0001595100000000, 0.0003088200000000 ] - [ -0.0004803300000000, -0.0000429900000000, 0.0007618800000000 ] - [ -0.0000118000000000, 0.0001282400000000, 0.0001885400000000 ] - [ 0.0001602600000000, 0.0005082400000000, 0.0009475300000000 ] - [ 0.0292671800000000, -0.0215812900000000, -0.0024466700000000 ] - [ 0.0019381400000000, 0.0002780300000000, -0.0017732100000000 ] - [ -0.0022248300000000, 0.0007149500000000, -0.0003965700000000 ] - [ 0.0003094300000000, 0.0001583200000000, 0.0009610800000000 ] - [ -0.0002527200000000, 0.0000548700000000, -0.0000156300000000 ] - [ 0.0004000900000000, 0.0006713000000000, 0.0007446700000000 ] - [ 0.0073718900000000, -0.0022111000000000, -0.0025752500000000 ] - [ -0.0007695500000000, -0.0044315400000000, -0.0010800100000000 ] - [ 0.0012441700000000, 0.0002331500000000, -0.0005666300000000 ] - [ 0.0006852300000000, -0.0009656500000000, 0.0015481800000000 ] - [ -0.0012704600000000, -0.0030897600000000, 0.0014673000000000 ] - [ 0.0020485500000000, -0.0054201900000000, -0.0000812100000000 ] - [ -0.0020873400000000, 0.0007005300000000, -0.0011843900000000 ] - [ -0.0000161400000000, -0.0009950700000000, 0.0003477800000000 ] - [ 0.0000980800000000, 0.0010332500000000, 0.0014814000000000 ] - [ 0.0003448300000000, -0.0001169700000000, -0.0004163700000000 ] - [ 0.0002097700000000, -0.0000545800000000, 0.0002150900000000 ] - [ -0.0024297200000000, -0.0008506300000000, -0.0021252200000000 ] - [ 0.0001010600000000, -0.0001005200000000, 0.0004055000000000 ] - [ 0.0019453300000000, 0.0077370500000000, -0.0003512300000000 ] - [ -0.0004421300000000, 0.0012357900000000, 0.0004590000000000 ] - [ -0.0000589300000000, 0.0014948500000000, -0.0003521900000000 ] - [ -0.0001936100000000, 0.0000790100000000, 0.0006278800000000 ] - [ -0.0004350700000000, -0.0002004000000000, 0.0004695000000000 ] - [ 0.0085914800000000, 0.0037320400000000, 0.0012124500000000 ] - [ 0.0121286200000000, -0.0025195200000000, 0.0226432900000000 ] - [ 0.0415989900000000, -0.0010172500000000, -0.0033156900000000 ] - [ -0.0001330700000000, 0.0002044200000000, 0.0003229500000000 ] - [ 0.0027185900000000, 0.0010985100000000, -0.0018891300000000 ] - [ 0.0000446600000000, -0.0002876300000000, 0.0005650100000000 ] - [ 0.0005227700000000, 0.0005333500000000, -0.0011681500000000 ] - [ -0.0014366500000000, 0.0001498300000000, 0.0005392600000000 ] - [ 0.0019141600000000, 0.0001526800000000, -0.0001846200000000 ] - [ -0.0001629600000000, -0.0003236700000000, -0.0025573700000000 ] - [ -0.0009034400000000, -0.0002435300000000, -0.0001053600000000 ] - [ 0.0053455800000000, -0.0012796900000000, 0.0034699100000000 ]- atom: 42 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000831700000000, 0.0006590000000000, -0.0000106700000000 ] - [ -0.0000505800000000, 0.0001159400000000, 0.0004286700000000 ] - [ -0.0004313800000000, 0.0003392600000000, -0.0003641400000000 ] - [ -0.0002195600000000, -0.0001409900000000, 0.0008139800000000 ] - [ 0.0000368100000000, 0.0000620300000000, 0.0003495800000000 ] - [ -0.0004530200000000, -0.0041068100000000, 0.0016674900000000 ] - [ 0.0011529100000000, 0.0000175200000000, -0.0007675600000000 ] - [ 0.0000435700000000, -0.0000207000000000, 0.0000534700000000 ] - [ -0.0009038900000000, 0.0000454500000000, 0.0046571300000000 ] - [ 0.0041646800000000, 0.0024867300000000, 0.0024966200000000 ] - [ 0.0004717400000000, -0.0000963200000000, 0.0004444600000000 ] - [ -0.0084912900000000, -0.0000286700000000, 0.0000571300000000 ] - [ -0.0016991700000000, -0.0003210000000000, -0.0016198400000000 ] - [ 0.0003757500000000, -0.0006520600000000, 0.0001235400000000 ] - [ -0.0001058500000000, -0.0001165300000000, -0.0003579400000000 ] - [ 0.0013645900000000, 0.0002523200000000, 0.0013525500000000 ] - [ 0.0016756800000000, 0.0013087300000000, -0.0005586800000000 ] - [ 0.0005443000000000, -0.0007626600000000, -0.0006718400000000 ] - [ -0.0007895800000000, 0.0002578300000000, 0.0007818600000000 ] - [ 0.0010220500000000, -0.0002338200000000, 0.0012951700000000 ] - [ -0.0007095800000000, 0.0005165000000000, 0.0009300400000000 ] - [ -0.0023498900000000, 0.0122956400000000, -0.0090379000000000 ] - [ -0.0163214700000000, -0.0074495700000000, -0.0086495100000000 ] - [ 0.0109226000000000, -0.0054260600000000, -0.0086935300000000 ] - [ -0.2588235700000000, 0.0104717500000000, -0.0844020400000000 ] - [ -0.0004302700000000, -0.0020496400000000, 0.0011678800000000 ] - [ 0.0003629200000000, -0.0004481100000000, 0.0014915100000000 ] - [ -0.0003758200000000, 0.0000627700000000, 0.0013004100000000 ] - [ 0.0016904700000000, 0.0007725400000000, 0.0011855600000000 ] - [ -0.0000875900000000, 0.0004800900000000, 0.0011715600000000 ] - [ -0.0093546100000000, -0.0112999500000000, 0.0023100200000000 ] - [ 0.0020955900000000, 0.0034752700000000, 0.0009432100000000 ] - [ -0.0029281300000000, 0.0004476600000000, -0.0019861300000000 ] - [ 0.0005168300000000, 0.0005765400000000, 0.0012812200000000 ] - [ 0.0002085200000000, 0.0002284900000000, -0.0013662200000000 ] - [ -0.0071157700000000, 0.0104766400000000, -0.0024547900000000 ] - [ -0.0033510400000000, -0.0081715800000000, -0.0015214200000000 ] - [ 0.0199332000000000, -0.0002044400000000, 0.0017765900000000 ] - [ -0.0048780700000000, 0.0037875300000000, -0.0016215000000000 ] - [ 0.0063616000000000, 0.0010480400000000, -0.0003504500000000 ] - [ 0.0014369700000000, -0.0014280200000000, 0.0003564500000000 ] - [ 0.3967564000000000, -0.0026099600000000, 0.1302093000000000 ] - [ -0.0350245400000000, -0.0189902800000000, -0.0014212200000000 ] - [ 0.0066495000000000, 0.0002804200000000, 0.0028144700000000 ] - [ 0.0003059000000000, -0.0001407200000000, -0.0004061900000000 ] - [ -0.0000090400000000, -0.0004427700000000, 0.0000470200000000 ] - [ -0.0008121100000000, -0.0005162200000000, -0.0002571900000000 ] - [ 0.0067549300000000, -0.0055093700000000, -0.0036595000000000 ] - [ -0.0003518400000000, 0.0005477300000000, -0.0010678800000000 ] - [ -0.0005488100000000, -0.0002627500000000, -0.0004156000000000 ] - [ 0.0005451600000000, -0.0161028200000000, 0.0023525000000000 ] - [ -0.0008479200000000, -0.0000904700000000, -0.0004987700000000 ] - [ 0.0002752500000000, 0.0001340400000000, -0.0002698100000000 ] - [ 0.0002696600000000, 0.0000013300000000, -0.0000034400000000 ] - [ -0.0019221800000000, -0.0025812200000000, -0.0020013800000000 ] - [ -0.0001412800000000, -0.0002698400000000, -0.0006154100000000 ] - [ -0.0016688800000000, 0.0091764900000000, -0.0119844200000000 ] - [ 0.0010396400000000, 0.0048117600000000, 0.0012698500000000 ] - [ -0.0001691300000000, 0.0001134900000000, -0.0004435800000000 ] - [ 0.0004838200000000, 0.0000445100000000, -0.0005423700000000 ] - [ 0.0002446900000000, -0.0004057900000000, -0.0006365800000000 ] - [ -0.0002046100000000, -0.0005128700000000, -0.0009528900000000 ] - [ -0.0295570900000000, 0.0220555500000000, 0.0027793800000000 ] - [ -0.0021529300000000, -0.0004264700000000, 0.0018279800000000 ] - [ 0.0026058400000000, -0.0007749500000000, -0.0000567000000000 ] - [ -0.0005455300000000, -0.0003242200000000, -0.0011001600000000 ] - [ 0.0002724600000000, -0.0000942000000000, 0.0000144800000000 ] - [ -0.0004004100000000, -0.0006730500000000, -0.0009778900000000 ] - [ -0.0071514100000000, 0.0020602100000000, 0.0024269800000000 ] - [ 0.0007705800000000, 0.0047675600000000, 0.0009416900000000 ] - [ -0.0013693100000000, -0.0000400200000000, 0.0001891900000000 ] - [ -0.0004372000000000, 0.0012340100000000, -0.0010943100000000 ] - [ 0.0012985600000000, 0.0028116100000000, -0.0013421900000000 ] - [ -0.0018665900000000, 0.0056401100000000, 0.0000482700000000 ] - [ 0.0018349900000000, -0.0008222500000000, 0.0010561900000000 ] - [ -0.0001917400000000, 0.0011363900000000, -0.0002251700000000 ] - [ -0.0004514400000000, -0.0009705200000000, -0.0010380700000000 ] - [ -0.0005757700000000, 0.0001251800000000, 0.0000374800000000 ] - [ -0.0001023200000000, 0.0004050000000000, -0.0006758700000000 ] - [ 0.0025089600000000, 0.0011028700000000, 0.0021672500000000 ] - [ 0.0001080200000000, 0.0002376600000000, -0.0004355900000000 ] - [ -0.0022010700000000, -0.0076707400000000, 0.0003152000000000 ] - [ 0.0006854500000000, -0.0011044000000000, -0.0003374800000000 ] - [ -0.0000541000000000, -0.0016909700000000, -0.0000322200000000 ] - [ -0.0000254200000000, -0.0000788600000000, -0.0002462100000000 ] - [ 0.0004525300000000, 0.0004467900000000, -0.0004481500000000 ] - [ -0.0088231300000000, -0.0039792200000000, -0.0016599700000000 ] - [ -0.0120947900000000, 0.0025753900000000, -0.0226989200000000 ] - [ -0.0409340000000000, 0.0007504200000000, 0.0031713300000000 ] - [ -0.0000821700000000, -0.0000585900000000, -0.0003577200000000 ] - [ -0.0028319700000000, -0.0014428400000000, 0.0023650300000000 ] - [ 0.0001781300000000, 0.0001763900000000, -0.0006939700000000 ] - [ -0.0005243500000000, -0.0005328800000000, 0.0009372800000000 ] - [ 0.0015584900000000, -0.0004983400000000, -0.0000884600000000 ] - [ -0.0021474900000000, -0.0000423100000000, 0.0003215100000000 ] - [ 0.0004118200000000, 0.0004345100000000, 0.0026919500000000 ] - [ 0.0011424900000000, 0.0001299800000000, 0.0001398600000000 ] - [ -0.0053601900000000, 0.0012331500000000, -0.0034408600000000 ]- atom: 42 displacement: [ -0.0049999999911976, 0.0086602540429265, 0.0000000000000000 ] forces: - [ -0.0005231700000000, -0.0000885500000000, -0.0000265300000000 ] - [ 0.0000844700000000, 0.0001668100000000, -0.0002789900000000 ] - [ -0.0003815200000000, -0.0000445800000000, 0.0003648400000000 ] - [ -0.0000598100000000, -0.0000524700000000, 0.0006897900000000 ] - [ -0.0000060200000000, 0.0000337700000000, 0.0000745000000000 ] - [ 0.0003728600000000, -0.0031235200000000, 0.0021432800000000 ] - [ 0.0006919900000000, 0.0001096900000000, -0.0003443500000000 ] - [ -0.0000189400000000, -0.0000356000000000, 0.0000240100000000 ] - [ -0.0004893400000000, -0.0000550900000000, 0.0021026100000000 ] - [ 0.0010397100000000, 0.0003849000000000, 0.0000413400000000 ] - [ 0.0005716100000000, -0.0003770400000000, 0.0001631500000000 ] - [ -0.0048375700000000, 0.0046615800000000, 0.0013707600000000 ] - [ -0.0007942900000000, 0.0015566900000000, -0.0006941000000000 ] - [ 0.0005745900000000, -0.0008317000000000, -0.0000964300000000 ] - [ -0.0000847700000000, -0.0005020600000000, -0.0008729100000000 ] - [ 0.0008115100000000, 0.0004512800000000, 0.0007021200000000 ] - [ -0.0003337000000000, -0.0000322800000000, -0.0000528900000000 ] - [ 0.0010224000000000, -0.0007584200000000, -0.0004089600000000 ] - [ -0.0004656000000000, 0.0004731300000000, 0.0002765600000000 ] - [ 0.0004460100000000, -0.0001385400000000, 0.0005514900000000 ] - [ -0.0005002700000000, 0.0001033900000000, 0.0001819800000000 ] - [ -0.0047690300000000, 0.0000870500000000, -0.0018889400000000 ] - [ 0.0014139600000000, 0.0150791000000000, 0.0067979600000000 ] - [ 0.0101962200000000, -0.0047972500000000, -0.0078001300000000 ] - [ -0.1407030500000000, 0.0520520000000000, -0.0428517300000000 ] - [ 0.0000177500000000, -0.0008459000000000, 0.0004939900000000 ] - [ 0.0004257300000000, -0.0004406800000000, 0.0005571300000000 ] - [ -0.0002246700000000, 0.0002239800000000, 0.0004731900000000 ] - [ 0.0007226900000000, 0.0002027800000000, 0.0003928100000000 ] - [ -0.0001830000000000, 0.0001402800000000, 0.0003935600000000 ] - [ -0.0006808100000000, -0.0058238900000000, 0.0064092100000000 ] - [ 0.0005961100000000, 0.0005990000000000, -0.0000181900000000 ] - [ -0.0015907800000000, 0.0006697600000000, -0.0019459100000000 ] - [ 0.0003203100000000, 0.0005828000000000, 0.0005642100000000 ] - [ -0.0001315500000000, 0.0000057500000000, -0.0003412700000000 ] - [ -0.0009613400000000, -0.0031842300000000, 0.0001285900000000 ] - [ 0.0000995800000000, -0.0121885200000000, 0.0002101500000000 ] - [ 0.0090855900000000, 0.0018412800000000, 0.0011243100000000 ] - [ -0.0000043600000000, -0.0036254100000000, -0.0019655700000000 ] - [ 0.0027592300000000, 0.0022767700000000, 0.0005310200000000 ] - [ 0.0003498800000000, 0.0008502900000000, 0.0001825500000000 ] - [ 0.1977679800000000, -0.0739164300000000, 0.0443643700000000 ] - [ 0.0050330900000000, -0.0076275800000000, 0.0008925400000000 ] - [ 0.0034380200000000, 0.0022638300000000, -0.0026790200000000 ] - [ 0.0001637900000000, -0.0001242100000000, -0.0000159000000000 ] - [ 0.0001747600000000, -0.0000374900000000, -0.0001124700000000 ] - [ -0.0002649900000000, -0.0000819900000000, -0.0001001300000000 ] - [ 0.0006684500000000, 0.0032088300000000, 0.0053180800000000 ] - [ -0.0001944400000000, 0.0002980500000000, -0.0004341400000000 ] - [ -0.0003894300000000, -0.0002523400000000, -0.0001958400000000 ] - [ 0.0035414200000000, 0.0026983600000000, 0.0002424100000000 ] - [ -0.0004708400000000, -0.0000528500000000, -0.0002115700000000 ] - [ 0.0002705500000000, -0.0000152700000000, 0.0000823900000000 ] - [ 0.0002613300000000, 0.0000195700000000, -0.0002278400000000 ] - [ -0.0000982000000000, -0.0012687300000000, -0.0003960700000000 ] - [ -0.0000499800000000, -0.0001131000000000, -0.0003538700000000 ] - [ -0.0024405600000000, 0.0020997600000000, -0.0077521800000000 ] - [ -0.0005345400000000, 0.0047791800000000, -0.0007985400000000 ] - [ 0.0000380700000000, 0.0002413800000000, -0.0000888400000000 ] - [ 0.0002310100000000, -0.0003997800000000, -0.0000072500000000 ] - [ 0.0002058800000000, -0.0004328200000000, -0.0003746500000000 ] - [ -0.0001137700000000, -0.0001541400000000, -0.0003196900000000 ] - [ -0.0399234900000000, 0.0172466500000000, 0.0024668300000000 ] - [ -0.0001123000000000, -0.0003942500000000, 0.0001790000000000 ] - [ 0.0015824700000000, 0.0019334000000000, -0.0002287400000000 ] - [ -0.0004083900000000, -0.0003086200000000, -0.0006268200000000 ] - [ 0.0000387700000000, -0.0001971500000000, 0.0003628700000000 ] - [ -0.0001046100000000, -0.0001382400000000, -0.0003239700000000 ] - [ -0.0027583500000000, 0.0004775100000000, 0.0009768900000000 ] - [ -0.0015986800000000, 0.0069290600000000, 0.0013888200000000 ] - [ -0.0008533500000000, 0.0005397600000000, -0.0000542000000000 ] - [ -0.0001019300000000, 0.0005743300000000, -0.0002536000000000 ] - [ -0.0003501800000000, 0.0016819900000000, -0.0016766600000000 ] - [ -0.0025999900000000, 0.0071723700000000, -0.0007750500000000 ] - [ 0.0003849700000000, 0.0012438200000000, -0.0003653600000000 ] - [ -0.0004599100000000, 0.0009299400000000, -0.0000909700000000 ] - [ -0.0001701000000000, -0.0004449000000000, -0.0003882000000000 ] - [ -0.0003185400000000, -0.0000157500000000, -0.0001587200000000 ] - [ -0.0000588400000000, 0.0002818800000000, -0.0003601000000000 ] - [ -0.0001162400000000, 0.0016012100000000, 0.0015872800000000 ] - [ 0.0000163300000000, 0.0003071200000000, -0.0001777300000000 ] - [ 0.0003272500000000, 0.0006212100000000, 0.0002289400000000 ] - [ 0.0003643500000000, 0.0013773500000000, 0.0010291000000000 ] - [ 0.0004731500000000, 0.0001890600000000, -0.0001659800000000 ] - [ -0.0000837600000000, -0.0001661400000000, 0.0000907000000000 ] - [ 0.0000307700000000, 0.0002345700000000, -0.0003048100000000 ] - [ -0.0061877200000000, -0.0031595000000000, -0.0012810600000000 ] - [ -0.0048096700000000, -0.0093056300000000, -0.0097681300000000 ] - [ -0.0194964800000000, -0.0026266200000000, 0.0014970000000000 ] - [ -0.0000122200000000, 0.0000574200000000, -0.0000258700000000 ] - [ -0.0019398800000000, -0.0025730600000000, 0.0018735900000000 ] - [ -0.0001138800000000, 0.0002042000000000, -0.0001344700000000 ] - [ 0.0000979300000000, -0.0000289200000000, -0.0000012500000000 ] - [ 0.0009079400000000, -0.0006642400000000, 0.0002284400000000 ] - [ -0.0012077200000000, -0.0003263900000000, 0.0001312600000000 ] - [ 0.0000345800000000, -0.0000418100000000, 0.0020941900000000 ] - [ 0.0007191100000000, 0.0000134000000000, 0.0004847900000000 ] - [ -0.0022875900000000, 0.0000363700000000, -0.0016480400000000 ]- atom: 42 displacement: [ 0.0049999999911976, -0.0086602540429265, 0.0000000000000000 ] forces: - [ 0.0003562100000000, 0.0002772300000000, 0.0000226400000000 ] - [ -0.0000074200000000, 0.0000675800000000, 0.0002993800000000 ] - [ 0.0001321200000000, 0.0000894000000000, -0.0003610800000000 ] - [ 0.0002276500000000, -0.0001434400000000, -0.0006880200000000 ] - [ 0.0000160000000000, -0.0000263200000000, -0.0001445600000000 ] - [ -0.0004722800000000, 0.0033361600000000, -0.0021318600000000 ] - [ -0.0006008500000000, -0.0003279300000000, 0.0003499400000000 ] - [ -0.0002149100000000, -0.0000043300000000, -0.0000211800000000 ] - [ 0.0004947200000000, 0.0000661200000000, -0.0020500700000000 ] - [ -0.0011979200000000, -0.0005856800000000, -0.0000508400000000 ] - [ -0.0005719900000000, 0.0003775000000000, -0.0001635900000000 ] - [ 0.0054019100000000, -0.0048341100000000, -0.0017489200000000 ] - [ 0.0007729600000000, -0.0015624100000000, 0.0007695200000000 ] - [ -0.0003428800000000, 0.0008575000000000, 0.0000979300000000 ] - [ 0.0002361100000000, 0.0006979300000000, 0.0008757800000000 ] - [ -0.0009066800000000, -0.0006761600000000, -0.0007000600000000 ] - [ 0.0003441600000000, 0.0000209200000000, -0.0000128600000000 ] - [ -0.0010289300000000, 0.0007582900000000, 0.0004110800000000 ] - [ 0.0002924500000000, -0.0001676400000000, -0.0002752700000000 ] - [ -0.0006219200000000, -0.0001642800000000, -0.0005536900000000 ] - [ 0.0008534400000000, -0.0001039100000000, -0.0001846000000000 ] - [ 0.0044421900000000, -0.0001185500000000, 0.0019036600000000 ] - [ -0.0012745500000000, -0.0156346100000000, -0.0069363000000000 ] - [ -0.0099710800000000, 0.0050847400000000, 0.0077293700000000 ] - [ 0.1364702000000000, -0.0531195200000000, 0.0413143400000000 ] - [ -0.0002351900000000, 0.0009183000000000, -0.0007943000000000 ] - [ -0.0002626100000000, 0.0002860000000000, -0.0002512000000000 ] - [ 0.0002183200000000, -0.0002190600000000, -0.0001424200000000 ] - [ -0.0006851500000000, -0.0003843500000000, -0.0007080300000000 ] - [ 0.0002379800000000, 0.0000494400000000, -0.0000833300000000 ] - [ 0.0006354800000000, 0.0055938500000000, -0.0067799200000000 ] - [ -0.0005652500000000, -0.0005990700000000, -0.0003100700000000 ] - [ 0.0017329800000000, -0.0005324200000000, 0.0016378100000000 ] - [ -0.0004975200000000, -0.0006402300000000, -0.0002519500000000 ] - [ 0.0001418600000000, -0.0000093300000000, 0.0000114300000000 ] - [ 0.0007762700000000, 0.0030661900000000, 0.0001733400000000 ] - [ -0.0001180000000000, 0.0124008400000000, 0.0000962700000000 ] - [ -0.0088163600000000, -0.0018741100000000, -0.0008194100000000 ] - [ 0.0001348800000000, 0.0037060000000000, 0.0016492900000000 ] - [ -0.0029189100000000, -0.0020958600000000, -0.0008332400000000 ] - [ -0.0003494400000000, -0.0008243100000000, -0.0001862300000000 ] - [ -0.1934098700000000, 0.0749304300000000, -0.0415864600000000 ] - [ -0.0050391000000000, 0.0078099300000000, -0.0004696400000000 ] - [ -0.0031037100000000, -0.0021812500000000, 0.0031551900000000 ] - [ -0.0000466700000000, -0.0000672000000000, 0.0003975000000000 ] - [ -0.0000617500000000, -0.0001522100000000, -0.0002712900000000 ] - [ 0.0002396000000000, -0.0002061600000000, 0.0002423000000000 ] - [ -0.0008683900000000, -0.0029528700000000, -0.0048427600000000 ] - [ 0.0002105000000000, -0.0002700400000000, 0.0004325100000000 ] - [ 0.0003418900000000, -0.0000006300000000, 0.0001670100000000 ] - [ -0.0036298700000000, -0.0023793800000000, -0.0006887600000000 ] - [ 0.0002783300000000, -0.0001159900000000, 0.0002422300000000 ] - [ -0.0001572100000000, 0.0002033200000000, 0.0003065100000000 ] - [ -0.0001584900000000, 0.0001707800000000, -0.0001643800000000 ] - [ 0.0003121900000000, 0.0012649300000000, 0.0000123100000000 ] - [ -0.0003147100000000, 0.0000428500000000, -0.0001000200000000 ] - [ 0.0026690900000000, -0.0022223900000000, 0.0078370800000000 ] - [ 0.0005922500000000, -0.0048249800000000, 0.0008491700000000 ] - [ -0.0000712200000000, 0.0000358900000000, -0.0000500500000000 ] - [ -0.0002316800000000, 0.0004008800000000, 0.0002280000000000 ] - [ 0.0000248700000000, 0.0001565000000000, -0.0000710900000000 ] - [ 0.0000806500000000, 0.0001533200000000, 0.0003222600000000 ] - [ 0.0392496400000000, -0.0168315900000000, -0.0020431600000000 ] - [ -0.0000912000000000, 0.0002488800000000, -0.0001580500000000 ] - [ -0.0012498400000000, -0.0020008000000000, -0.0002121700000000 ] - [ 0.0001737100000000, 0.0001403000000000, 0.0004833600000000 ] - [ -0.0000230200000000, 0.0001673700000000, -0.0003646400000000 ] - [ 0.0001028200000000, 0.0001371500000000, 0.0000980100000000 ] - [ 0.0029742700000000, -0.0006268000000000, -0.0011081900000000 ] - [ 0.0016498700000000, -0.0066830000000000, -0.0015658700000000 ] - [ 0.0007281700000000, -0.0003534900000000, -0.0003229400000000 ] - [ 0.0003448100000000, -0.0003139300000000, 0.0007075100000000 ] - [ 0.0003828500000000, -0.0019542200000000, 0.0018154600000000 ] - [ 0.0027830200000000, -0.0069840300000000, 0.0007496500000000 ] - [ -0.0006250800000000, -0.0013553700000000, 0.0002371700000000 ] - [ 0.0002558600000000, -0.0007958600000000, 0.0002112600000000 ] - [ -0.0001908500000000, 0.0005113800000000, 0.0008394300000000 ] - [ 0.0000953600000000, 0.0000207800000000, -0.0002238100000000 ] - [ 0.0001679900000000, 0.0000592400000000, -0.0000938700000000 ] - [ 0.0001859500000000, -0.0013472900000000, -0.0015490900000000 ] - [ 0.0001922000000000, -0.0001707100000000, 0.0001490600000000 ] - [ -0.0005606200000000, -0.0005109100000000, -0.0002611900000000 ] - [ -0.0001203400000000, -0.0012127500000000, -0.0008930000000000 ] - [ -0.0005915900000000, -0.0003758000000000, -0.0002226600000000 ] - [ -0.0001350200000000, 0.0001663600000000, 0.0002943600000000 ] - [ -0.0000117900000000, 0.0000108500000000, 0.0003276300000000 ] - [ 0.0059184300000000, 0.0028777000000000, 0.0008231700000000 ] - [ 0.0048546300000000, 0.0092146600000000, 0.0099105500000000 ] - [ 0.0195653900000000, 0.0024276800000000, -0.0015600900000000 ] - [ -0.0002014800000000, 0.0000906800000000, -0.0000050300000000 ] - [ 0.0018223500000000, 0.0022118300000000, -0.0014066500000000 ] - [ 0.0003383500000000, -0.0003146300000000, 0.0000069500000000 ] - [ -0.0001008400000000, 0.0000275100000000, -0.0002225700000000 ] - [ -0.0007905400000000, 0.0003217800000000, 0.0002233700000000 ] - [ 0.0009776300000000, 0.0004335700000000, -0.0000029200000000 ] - [ 0.0002240600000000, 0.0001563900000000, -0.0019623100000000 ] - [ -0.0004815000000000, -0.0001238600000000, -0.0004528300000000 ] - [ 0.0022715800000000, -0.0000711400000000, 0.0016477500000000 ]- atom: 42 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0002877400000000, -0.0003247200000000, -0.0004798800000000 ] - [ 0.0001653100000000, 0.0001447500000000, -0.0012243000000000 ] - [ 0.0000233800000000, 0.0003413200000000, 0.0003069100000000 ] - [ 0.0002172000000000, -0.0001142300000000, -0.0014090100000000 ] - [ -0.0000073700000000, 0.0000109500000000, -0.0008095700000000 ] - [ -0.0005809100000000, 0.0020417100000000, 0.0014692600000000 ] - [ -0.0000685400000000, -0.0000016000000000, 0.0003036900000000 ] - [ -0.0001543800000000, -0.0000454200000000, -0.0006509900000000 ] - [ 0.0005592300000000, 0.0000098700000000, -0.0055218200000000 ] - [ -0.0018501700000000, -0.0019071500000000, 0.0011954800000000 ] - [ -0.0003183300000000, -0.0001607000000000, -0.0009966600000000 ] - [ -0.0020539300000000, 0.0017158300000000, 0.0094298600000000 ] - [ 0.0025155100000000, 0.0002211400000000, -0.0025825100000000 ] - [ 0.0001854400000000, 0.0005081700000000, -0.0006278500000000 ] - [ 0.0001256800000000, -0.0003724300000000, 0.0000197700000000 ] - [ -0.0013483800000000, -0.0005950700000000, -0.0013786000000000 ] - [ -0.0004292700000000, -0.0000638300000000, 0.0008503200000000 ] - [ 0.0003141600000000, -0.0001645900000000, 0.0005828200000000 ] - [ 0.0002638200000000, 0.0009138200000000, -0.0023937800000000 ] - [ -0.0008251900000000, -0.0000790000000000, -0.0023152700000000 ] - [ 0.0004752500000000, -0.0006969000000000, -0.0024101300000000 ] - [ 0.0025115600000000, -0.0010612300000000, 0.0048416300000000 ] - [ 0.0111450200000000, 0.0128209000000000, 0.0230216900000000 ] - [ -0.0005264400000000, 0.0015043700000000, 0.0032566200000000 ] - [ 0.0761843100000000, 0.0003824200000000, 0.0912202100000000 ] - [ -0.0001694700000000, 0.0025154700000000, -0.0018161600000000 ] - [ 0.0002173100000000, 0.0001508500000000, -0.0026259300000000 ] - [ 0.0001213100000000, 0.0000139100000000, -0.0032808700000000 ] - [ -0.0019417500000000, -0.0017391000000000, -0.0018825400000000 ] - [ -0.0001001200000000, -0.0000534500000000, -0.0023258800000000 ] - [ 0.0000003400000000, 0.0109699900000000, -0.0008396700000000 ] - [ -0.0011295000000000, -0.0012057200000000, -0.0014700400000000 ] - [ 0.0016067200000000, -0.0010040200000000, -0.0032974500000000 ] - [ -0.0002496900000000, -0.0002267600000000, -0.0030331200000000 ] - [ 0.0000179100000000, 0.0000750600000000, 0.0002561600000000 ] - [ 0.0016334400000000, -0.0026014100000000, 0.0050149700000000 ] - [ 0.0002706900000000, 0.0003470300000000, 0.0081114400000000 ] - [ -0.0031773200000000, 0.0002704800000000, 0.0021886700000000 ] - [ 0.0052877500000000, -0.0098594000000000, 0.0016766900000000 ] - [ -0.0005342000000000, 0.0001154700000000, 0.0009833300000000 ] - [ 0.0004291200000000, 0.0020335600000000, -0.0028314500000000 ] - [ -0.1266213600000000, -0.0239119000000000, -0.1360241100000000 ] - [ 0.0023309200000000, 0.0018885700000000, -0.0130575500000000 ] - [ -0.0026505400000000, -0.0057440400000000, 0.0028374500000000 ] - [ -0.0005190600000000, 0.0000016900000000, 0.0015101600000000 ] - [ 0.0000833100000000, 0.0001411400000000, 0.0000066600000000 ] - [ 0.0005319200000000, 0.0003659000000000, 0.0000734100000000 ] - [ -0.0053245300000000, 0.0143742700000000, 0.0096747400000000 ] - [ 0.0005963100000000, -0.0006325600000000, 0.0017726400000000 ] - [ 0.0002635800000000, 0.0000304700000000, 0.0009211600000000 ] - [ -0.0000267700000000, 0.0046636100000000, -0.0042787100000000 ] - [ 0.0004770100000000, 0.0001240900000000, 0.0009110800000000 ] - [ 0.0001679400000000, -0.0003689400000000, 0.0015887800000000 ] - [ -0.0001264800000000, -0.0000456600000000, 0.0000128800000000 ] - [ 0.0017250400000000, 0.0011770700000000, 0.0002065800000000 ] - [ 0.0000343100000000, 0.0001757200000000, 0.0006591500000000 ] - [ 0.0052155300000000, -0.0072532700000000, 0.0091470200000000 ] - [ 0.0003281100000000, -0.0036987400000000, -0.0038377300000000 ] - [ 0.0003118300000000, 0.0000012800000000, 0.0012109300000000 ] - [ -0.0004521200000000, -0.0000761200000000, 0.0027154400000000 ] - [ -0.0001606900000000, 0.0000117800000000, 0.0008124400000000 ] - [ 0.0002014500000000, 0.0008409300000000, 0.0016576500000000 ] - [ -0.0020281400000000, 0.0004455200000000, -0.0130963900000000 ] - [ -0.0002263400000000, 0.0002735600000000, -0.0007844800000000 ] - [ 0.0002212600000000, 0.0000229300000000, -0.0020955900000000 ] - [ 0.0003311700000000, 0.0004025900000000, 0.0018904500000000 ] - [ -0.0008924800000000, -0.0003034500000000, 0.0022945100000000 ] - [ 0.0002196700000000, 0.0002013900000000, 0.0010086100000000 ] - [ 0.0019532800000000, -0.0008197000000000, -0.0020323900000000 ] - [ -0.0007866100000000, 0.0031480700000000, -0.0026264400000000 ] - [ 0.0003041900000000, 0.0000370600000000, -0.0004979400000000 ] - [ 0.0008367000000000, -0.0011123900000000, 0.0019138500000000 ] - [ 0.0002241300000000, -0.0028558100000000, 0.0017784900000000 ] - [ 0.0002009000000000, 0.0002877700000000, -0.0018176500000000 ] - [ -0.0011549800000000, -0.0003073500000000, -0.0022356600000000 ] - [ -0.0000977500000000, -0.0004826500000000, 0.0001595800000000 ] - [ 0.0003418300000000, 0.0012829300000000, 0.0018011900000000 ] - [ 0.0000284600000000, -0.0001695600000000, 0.0000190400000000 ] - [ 0.0000461200000000, -0.0002104700000000, 0.0006885500000000 ] - [ -0.0025911100000000, 0.0006685000000000, -0.0009533700000000 ] - [ -0.0001225800000000, 0.0000956300000000, 0.0010411000000000 ] - [ 0.0000809200000000, 0.0019082700000000, -0.0009999900000000 ] - [ -0.0003981200000000, 0.0032565700000000, 0.0017098700000000 ] - [ -0.0000817600000000, 0.0000615200000000, -0.0003487100000000 ] - [ 0.0002160700000000, 0.0003051800000000, 0.0015567000000000 ] - [ -0.0001599200000000, -0.0004375200000000, 0.0007737500000000 ] - [ 0.0007659500000000, -0.0000726000000000, -0.0008814200000000 ] - [ 0.0351744500000000, -0.0020637100000000, 0.0252251900000000 ] - [ 0.0044048800000000, -0.0009509100000000, -0.0048756000000000 ] - [ -0.0000153500000000, -0.0000075900000000, 0.0009081400000000 ] - [ -0.0002538600000000, -0.0000648000000000, -0.0006457600000000 ] - [ -0.0003660900000000, -0.0002599000000000, 0.0014862200000000 ] - [ 0.0000323400000000, -0.0000564500000000, -0.0007880300000000 ] - [ -0.0009740900000000, -0.0004165900000000, 0.0019745100000000 ] - [ 0.0005839000000000, 0.0000773900000000, 0.0002313900000000 ] - [ -0.0008675600000000, 0.0004857000000000, 0.0013585500000000 ] - [ -0.0000080300000000, 0.0004938200000000, 0.0010790000000000 ] - [ 0.0001550800000000, 0.0002413900000000, -0.0012653900000000 ]- atom: 42 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0001156200000000, 0.0005093000000000, 0.0004769200000000 ] - [ -0.0000849900000000, 0.0000897300000000, 0.0012403800000000 ] - [ -0.0002693700000000, -0.0002848600000000, -0.0003205200000000 ] - [ -0.0000449200000000, -0.0000792700000000, 0.0014081600000000 ] - [ 0.0000176700000000, -0.0000038100000000, 0.0007413900000000 ] - [ 0.0005102400000000, -0.0017971300000000, -0.0014788400000000 ] - [ 0.0001522200000000, -0.0002239200000000, -0.0003142500000000 ] - [ -0.0000797000000000, 0.0000086000000000, 0.0006579300000000 ] - [ -0.0005591100000000, 0.0000029600000000, 0.0055885500000000 ] - [ 0.0016846800000000, 0.0017054200000000, -0.0012286500000000 ] - [ 0.0003149800000000, 0.0001597300000000, 0.0009963600000000 ] - [ 0.0027196900000000, -0.0019881700000000, -0.0097471000000000 ] - [ -0.0024956000000000, -0.0002261700000000, 0.0026311200000000 ] - [ 0.0000444300000000, -0.0004755900000000, 0.0006360500000000 ] - [ 0.0000276300000000, 0.0005646800000000, -0.0000351200000000 ] - [ 0.0012452000000000, 0.0003614100000000, 0.0013725000000000 ] - [ 0.0004259500000000, 0.0000494200000000, -0.0009233300000000 ] - [ -0.0003153000000000, 0.0001666000000000, -0.0005890000000000 ] - [ -0.0004349200000000, -0.0006187500000000, 0.0023921000000000 ] - [ 0.0006574500000000, -0.0002182600000000, 0.0023128300000000 ] - [ -0.0001314600000000, 0.0007017200000000, 0.0024033200000000 ] - [ -0.0028161400000000, 0.0009921100000000, -0.0047500700000000 ] - [ -0.0099646700000000, -0.0124141200000000, -0.0225429100000000 ] - [ 0.0006394400000000, -0.0011637300000000, -0.0031711800000000 ] - [ -0.0776172200000000, -0.0002594400000000, -0.0905853800000000 ] - [ -0.0000443500000000, -0.0024571900000000, 0.0015042200000000 ] - [ -0.0000503000000000, -0.0003037400000000, 0.0029239900000000 ] - [ -0.0001284500000000, -0.0000070000000000, 0.0036046900000000 ] - [ 0.0019794200000000, 0.0015670800000000, 0.0015683200000000 ] - [ 0.0001482600000000, 0.0002439700000000, 0.0026319400000000 ] - [ -0.0000401000000000, -0.0110801000000000, 0.0005416400000000 ] - [ 0.0011321600000000, 0.0011866000000000, 0.0011494700000000 ] - [ -0.0014627600000000, 0.0011504300000000, 0.0029911300000000 ] - [ 0.0000694700000000, 0.0001615100000000, 0.0033346500000000 ] - [ -0.0000124800000000, -0.0000851800000000, -0.0005986600000000 ] - [ -0.0018013600000000, 0.0024513800000000, -0.0046952000000000 ] - [ -0.0002834000000000, -0.0001457400000000, -0.0077748000000000 ] - [ 0.0033590800000000, -0.0003495100000000, -0.0018967700000000 ] - [ -0.0050649700000000, 0.0098519300000000, -0.0019405600000000 ] - [ 0.0003419300000000, 0.0000383900000000, -0.0012546700000000 ] - [ -0.0004575100000000, -0.0019485100000000, 0.0028019200000000 ] - [ 0.1266383300000000, 0.0230822400000000, 0.1360677800000000 ] - [ -0.0021731700000000, -0.0015602000000000, 0.0135121500000000 ] - [ 0.0029674700000000, 0.0057361800000000, -0.0023281100000000 ] - [ 0.0006613000000000, -0.0002036900000000, -0.0011338500000000 ] - [ 0.0000234800000000, -0.0003487900000000, -0.0003915500000000 ] - [ -0.0005471600000000, -0.0006430600000000, 0.0000607500000000 ] - [ 0.0050027100000000, -0.0138786900000000, -0.0090486400000000 ] - [ -0.0005598400000000, 0.0006976000000000, -0.0017693500000000 ] - [ -0.0003221600000000, -0.0002805100000000, -0.0009551700000000 ] - [ -0.0000909700000000, -0.0042902400000000, 0.0037916900000000 ] - [ -0.0006676000000000, -0.0003034200000000, -0.0008770200000000 ] - [ -0.0000602200000000, 0.0005696500000000, -0.0011907800000000 ] - [ 0.0002568200000000, 0.0002401300000000, -0.0004025400000000 ] - [ -0.0014838400000000, -0.0011514600000000, -0.0005992100000000 ] - [ -0.0003950200000000, -0.0002558900000000, -0.0011090800000000 ] - [ -0.0048992700000000, 0.0069899900000000, -0.0089357600000000 ] - [ -0.0002553900000000, 0.0036671200000000, 0.0038044400000000 ] - [ -0.0003294800000000, 0.0002609200000000, -0.0013312800000000 ] - [ 0.0004459900000000, 0.0000766300000000, -0.0024628100000000 ] - [ 0.0004010800000000, -0.0002841100000000, -0.0012555700000000 ] - [ -0.0002779100000000, -0.0008417900000000, -0.0016551100000000 ] - [ 0.0024913800000000, -0.0005880800000000, 0.0134718700000000 ] - [ 0.0000159000000000, -0.0003949200000000, 0.0008015100000000 ] - [ 0.0001345800000000, -0.0001022500000000, 0.0016358400000000 ] - [ -0.0005542900000000, -0.0005478100000000, -0.0020089800000000 ] - [ 0.0009297800000000, 0.0002343900000000, -0.0022932400000000 ] - [ -0.0002167300000000, -0.0001998900000000, -0.0012634100000000 ] - [ -0.0017308100000000, 0.0006966500000000, 0.0019264500000000 ] - [ 0.0007955500000000, -0.0028838600000000, 0.0025130400000000 ] - [ -0.0004393500000000, 0.0001511700000000, 0.0001016000000000 ] - [ -0.0005777000000000, 0.0013813400000000, -0.0014548700000000 ] - [ -0.0002053900000000, 0.0025707600000000, -0.0016528000000000 ] - [ -0.0000100500000000, -0.0001588400000000, 0.0017982500000000 ] - [ 0.0009174900000000, 0.0001931200000000, 0.0021198600000000 ] - [ -0.0001048500000000, 0.0006051600000000, -0.0000387600000000 ] - [ -0.0006975100000000, -0.0012131900000000, -0.0013575200000000 ] - [ -0.0002777500000000, 0.0001982900000000, -0.0003910600000000 ] - [ 0.0000503300000000, 0.0005667400000000, -0.0011491600000000 ] - [ 0.0026138000000000, -0.0004294200000000, 0.0009474900000000 ] - [ 0.0003231000000000, 0.0000356200000000, -0.0010611100000000 ] - [ -0.0003048800000000, -0.0017728200000000, 0.0009580600000000 ] - [ 0.0006194900000000, -0.0030781000000000, -0.0015825100000000 ] - [ -0.0000277200000000, -0.0002775100000000, -0.0000416600000000 ] - [ -0.0004471900000000, -0.0003209600000000, -0.0011661700000000 ] - [ 0.0001681100000000, 0.0006799000000000, -0.0007510500000000 ] - [ -0.0009796600000000, -0.0001806700000000, 0.0004379500000000 ] - [ -0.0358427400000000, 0.0021166400000000, -0.0255481300000000 ] - [ -0.0043911300000000, 0.0006933700000000, 0.0047940000000000 ] - [ -0.0001858900000000, 0.0001605600000000, -0.0009343900000000 ] - [ 0.0001552700000000, -0.0002727700000000, 0.0010719200000000 ] - [ 0.0005675100000000, 0.0001452500000000, -0.0015970000000000 ] - [ -0.0000305100000000, 0.0000569500000000, 0.0005485300000000 ] - [ 0.0010879500000000, 0.0000654500000000, -0.0015248200000000 ] - [ -0.0007717800000000, 0.0000397700000000, -0.0001334100000000 ] - [ 0.0011085700000000, -0.0003750100000000, -0.0012387800000000 ] - [ 0.0002386400000000, -0.0006027000000000, -0.0010485800000000 ] - [ -0.0001830600000000, -0.0003037500000000, 0.0012574700000000 ]- atom: 44 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0021297800000000, -0.0019048700000000, 0.0021374200000000 ] - [ -0.0003928500000000, 0.0004554600000000, -0.0000035400000000 ] - [ -0.0001437400000000, -0.0000940200000000, -0.0002933700000000 ] - [ 0.0022909000000000, -0.0014216500000000, -0.0035616200000000 ] - [ 0.0001884800000000, -0.0001174200000000, 0.0002989000000000 ] - [ -0.0006588700000000, 0.0008924800000000, -0.0000196400000000 ] - [ -0.0002021100000000, -0.0000694300000000, -0.0001459500000000 ] - [ -0.0006920600000000, 0.0002711500000000, 0.0009682500000000 ] - [ 0.0000586000000000, 0.0000291300000000, -0.0006504600000000 ] - [ -0.0013638200000000, -0.0006811600000000, -0.0014096100000000 ] - [ -0.0045926500000000, -0.0001192200000000, -0.0015479100000000 ] - [ 0.0006878400000000, -0.0008065200000000, 0.0006750300000000 ] - [ 0.0046508400000000, 0.0026791800000000, 0.0016959800000000 ] - [ 0.0007855800000000, 0.0048577900000000, -0.0000571000000000 ] - [ 0.0003949400000000, 0.0003107700000000, 0.0002444100000000 ] - [ -0.0042484600000000, -0.0025370700000000, -0.0029226100000000 ] - [ 0.0000841200000000, -0.0006287800000000, -0.0003959600000000 ] - [ -0.0007002900000000, 0.0000249300000000, 0.0002011000000000 ] - [ 0.0003744500000000, -0.0001601800000000, -0.0002209300000000 ] - [ -0.0005898600000000, 0.0004002600000000, -0.0005518800000000 ] - [ 0.0014388900000000, -0.0003732100000000, -0.0005664400000000 ] - [ 0.0168202900000000, 0.0063720600000000, 0.0093905000000000 ] - [ 0.0021772100000000, -0.0121676500000000, 0.0092985300000000 ] - [ -0.0003787700000000, 0.0052564900000000, -0.0009477800000000 ] - [ 0.0117748600000000, 0.0106129800000000, -0.0036953700000000 ] - [ -0.0006522900000000, 0.0009558300000000, -0.0009505400000000 ] - [ 0.0010419900000000, 0.0012182100000000, -0.0027378700000000 ] - [ 0.0006604900000000, -0.0002661700000000, 0.0026237000000000 ] - [ -0.0000593800000000, 0.0002181500000000, -0.0007783400000000 ] - [ 0.0001129600000000, -0.0008214700000000, 0.0011714600000000 ] - [ 0.3414650700000000, -0.0223100800000000, 0.0401517400000000 ] - [ 0.0079449700000000, -0.0113622700000000, 0.0025102100000000 ] - [ 0.0008230300000000, -0.0004137800000000, -0.0007650400000000 ] - [ -0.0014610100000000, -0.0018083100000000, -0.0025871500000000 ] - [ 0.0002818500000000, -0.0000044300000000, -0.0007946500000000 ] - [ -0.0029463700000000, -0.0030065100000000, 0.0003102900000000 ] - [ 0.0195698900000000, 0.0139237700000000, 0.0202811000000000 ] - [ -0.0052886900000000, 0.0007903600000000, -0.0009770700000000 ] - [ -0.0021588900000000, -0.0005703200000000, 0.0007049900000000 ] - [ -0.0135000900000000, 0.0126187500000000, -0.0003700100000000 ] - [ 0.0014669900000000, 0.0007754000000000, -0.0011184400000000 ] - [ -0.0065096300000000, -0.0000685700000000, -0.0025929400000000 ] - [ 0.0022175800000000, -0.0107399100000000, 0.0149438100000000 ] - [ -0.4656507500000000, 0.0078627500000000, -0.0664469100000000 ] - [ 0.0003274700000000, -0.0002622500000000, -0.0003321300000000 ] - [ -0.0002408200000000, -0.0002507300000000, 0.0000742100000000 ] - [ 0.0001396500000000, -0.0002081800000000, 0.0006027100000000 ] - [ -0.0018063200000000, 0.0014453000000000, 0.0001008300000000 ] - [ 0.0004163500000000, -0.0004054200000000, 0.0012517400000000 ] - [ 0.0011841100000000, 0.0002372800000000, 0.0004656100000000 ] - [ 0.0001096100000000, 0.0015986500000000, -0.0004420200000000 ] - [ 0.0000668800000000, -0.0003391900000000, 0.0002734200000000 ] - [ -0.0007942800000000, 0.0007816500000000, -0.0001138800000000 ] - [ 0.0000080300000000, 0.0002282300000000, 0.0000233000000000 ] - [ 0.0021569000000000, 0.0077045700000000, 0.0002908500000000 ] - [ -0.0006046000000000, 0.0001256900000000, -0.0005178200000000 ] - [ 0.0338395800000000, 0.0195700200000000, 0.0001675400000000 ] - [ 0.0155813900000000, -0.0168972200000000, -0.0231344400000000 ] - [ 0.0006417800000000, 0.0005986600000000, -0.0012402100000000 ] - [ -0.0012344400000000, -0.0012921800000000, -0.0028706300000000 ] - [ -0.0000841900000000, 0.0008621500000000, 0.0004411600000000 ] - [ 0.0000618700000000, 0.0000403200000000, -0.0000727300000000 ] - [ -0.0004120000000000, -0.0031740800000000, 0.0001993700000000 ] - [ 0.0252736400000000, -0.0060007300000000, -0.0026093200000000 ] - [ -0.0121078800000000, 0.0031657900000000, 0.0047868200000000 ] - [ 0.0013244100000000, 0.0016810300000000, 0.0026311100000000 ] - [ -0.0002631000000000, 0.0000783700000000, 0.0011300300000000 ] - [ -0.0012532200000000, 0.0018356600000000, -0.0016552800000000 ] - [ 0.0017757300000000, -0.0005050600000000, 0.0001307500000000 ] - [ -0.0021829000000000, -0.0009853800000000, -0.0040593100000000 ] - [ -0.0024724700000000, -0.0001318000000000, -0.0002290400000000 ] - [ 0.0002284700000000, -0.0003016500000000, 0.0004543500000000 ] - [ 0.0212720000000000, -0.0096017700000000, 0.0120060900000000 ] - [ -0.0017845200000000, -0.0041081200000000, -0.0023971100000000 ] - [ 0.0008627100000000, 0.0002690900000000, 0.0003090200000000 ] - [ 0.0001567400000000, -0.0002558400000000, 0.0001699500000000 ] - [ -0.0003501200000000, 0.0000906400000000, 0.0004901300000000 ] - [ -0.0001874000000000, 0.0000866800000000, 0.0001485400000000 ] - [ -0.0004861500000000, -0.0006439400000000, 0.0002515800000000 ] - [ 0.0003979400000000, -0.0015811600000000, -0.0005901300000000 ] - [ -0.0006198700000000, -0.0002160300000000, 0.0013809000000000 ] - [ 0.0016589900000000, 0.0024106100000000, 0.0013485900000000 ] - [ 0.0016848500000000, 0.0004348400000000, -0.0003303500000000 ] - [ 0.0003474400000000, 0.0167671100000000, -0.0040482700000000 ] - [ -0.0005131100000000, -0.0005419300000000, -0.0005456200000000 ] - [ 0.0003197800000000, -0.0000274900000000, 0.0001533700000000 ] - [ 0.0010097800000000, -0.0004436300000000, 0.0003948300000000 ] - [ -0.0023800900000000, -0.0019200800000000, 0.0024717300000000 ] - [ 0.0030385600000000, 0.0005540600000000, -0.0018950200000000 ] - [ 0.0000186600000000, 0.0005710100000000, -0.0001871500000000 ] - [ 0.0026150300000000, -0.0039988400000000, 0.0007018200000000 ] - [ 0.0002988800000000, -0.0017987500000000, 0.0021829500000000 ] - [ -0.0001183100000000, 0.0001322000000000, 0.0004243000000000 ] - [ -0.0003435800000000, 0.0000482500000000, 0.0004616400000000 ] - [ 0.0059462500000000, -0.0021391000000000, -0.0027742000000000 ] - [ 0.0001972300000000, 0.0002338800000000, 0.0001700900000000 ] - [ -0.0001228400000000, 0.0001129300000000, 0.0001177100000000 ] - [ 0.0044100700000000, -0.0017070500000000, 0.0033393500000000 ]- atom: 44 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0019610300000000, 0.0021117100000000, -0.0021318400000000 ] - [ 0.0004963800000000, -0.0002257600000000, -0.0000047900000000 ] - [ -0.0001072300000000, 0.0001378500000000, 0.0002933500000000 ] - [ -0.0021025300000000, 0.0012112300000000, 0.0035576400000000 ] - [ -0.0001782400000000, 0.0001224600000000, -0.0003782400000000 ] - [ 0.0005571400000000, -0.0006729200000000, 0.0000085400000000 ] - [ 0.0002985700000000, -0.0001481600000000, 0.0001595300000000 ] - [ 0.0004476500000000, -0.0002937600000000, -0.0009838900000000 ] - [ -0.0000565800000000, -0.0000172700000000, 0.0007269300000000 ] - [ 0.0012060900000000, 0.0004928400000000, 0.0014186200000000 ] - [ 0.0045800100000000, 0.0001206900000000, 0.0015405300000000 ] - [ -0.0004268700000000, 0.0007595600000000, -0.0006783900000000 ] - [ -0.0047343700000000, -0.0025635500000000, -0.0015973100000000 ] - [ -0.0005417900000000, -0.0048192200000000, 0.0000659000000000 ] - [ -0.0002446500000000, -0.0001101600000000, -0.0002449800000000 ] - [ 0.0041361000000000, 0.0023019600000000, 0.0029030300000000 ] - [ -0.0000880400000000, 0.0006029400000000, 0.0003142200000000 ] - [ 0.0006987800000000, -0.0000243600000000, -0.0001981800000000 ] - [ -0.0005467400000000, 0.0004732000000000, 0.0002246400000000 ] - [ 0.0004026700000000, -0.0007088400000000, 0.0005527300000000 ] - [ -0.0010771900000000, 0.0003666000000000, 0.0005672300000000 ] - [ -0.0184802100000000, -0.0074669900000000, -0.0108349800000000 ] - [ -0.0019403200000000, 0.0117974800000000, -0.0092358400000000 ] - [ 0.0005575400000000, -0.0049399200000000, 0.0009501900000000 ] - [ -0.0118355900000000, -0.0105841700000000, 0.0039937400000000 ] - [ 0.0004391300000000, -0.0008914700000000, 0.0006413600000000 ] - [ -0.0008784500000000, -0.0013688300000000, 0.0030328200000000 ] - [ -0.0006641200000000, 0.0002703600000000, -0.0022415600000000 ] - [ 0.0000966500000000, -0.0003957200000000, 0.0004656300000000 ] - [ -0.0000630500000000, 0.0010061100000000, -0.0008620700000000 ] - [ -0.3185752800000000, 0.0197598900000000, -0.0377587400000000 ] - [ -0.0079196600000000, 0.0112899100000000, -0.0028260600000000 ] - [ -0.0006831100000000, 0.0005557800000000, 0.0004515400000000 ] - [ 0.0012837500000000, 0.0017476700000000, 0.0028857800000000 ] - [ -0.0002747600000000, -0.0000028500000000, 0.0004603000000000 ] - [ 0.0027955400000000, 0.0028617300000000, 0.0000037600000000 ] - [ -0.0193802100000000, -0.0136593900000000, -0.0198266800000000 ] - [ 0.0054882500000000, -0.0008576400000000, 0.0013015700000000 ] - [ 0.0023049900000000, 0.0006467600000000, -0.0010132500000000 ] - [ 0.0133206600000000, -0.0124838200000000, 0.0000689200000000 ] - [ -0.0014474100000000, -0.0007920300000000, 0.0011159800000000 ] - [ 0.0063999000000000, -0.0001633900000000, 0.0030274300000000 ] - [ -0.0023464900000000, 0.0109788900000000, -0.0146839100000000 ] - [ 0.4433565200000000, -0.0044649500000000, 0.0654910400000000 ] - [ -0.0002234000000000, 0.0000777400000000, 0.0007033800000000 ] - [ 0.0003611900000000, 0.0000772700000000, -0.0004518000000000 ] - [ -0.0001759400000000, -0.0001014500000000, -0.0004375600000000 ] - [ 0.0015702500000000, -0.0011749500000000, 0.0003434200000000 ] - [ -0.0004231500000000, 0.0003904300000000, -0.0012456600000000 ] - [ -0.0012116400000000, -0.0004853100000000, -0.0004854000000000 ] - [ -0.0002411000000000, -0.0012533100000000, -0.0000063100000000 ] - [ -0.0002651600000000, 0.0001838800000000, -0.0002499200000000 ] - [ 0.0009106800000000, -0.0006039600000000, 0.0004878500000000 ] - [ 0.0000829900000000, -0.0000337600000000, -0.0004034400000000 ] - [ -0.0019380100000000, -0.0076879600000000, -0.0006725500000000 ] - [ 0.0002346900000000, -0.0001884400000000, 0.0000649000000000 ] - [ -0.0329101200000000, -0.0192308800000000, -0.0000806800000000 ] - [ -0.0152170300000000, 0.0166040400000000, 0.0227450900000000 ] - [ -0.0006818600000000, -0.0003022400000000, 0.0010798400000000 ] - [ 0.0012531400000000, 0.0012657600000000, 0.0030345500000000 ] - [ 0.0003207400000000, -0.0011498500000000, -0.0008901500000000 ] - [ -0.0000432700000000, -0.0000416300000000, 0.0000741500000000 ] - [ 0.0006386700000000, 0.0031772500000000, 0.0001762500000000 ] - [ -0.0258798300000000, 0.0058514100000000, 0.0027147300000000 ] - [ 0.0124036400000000, -0.0031675400000000, -0.0051547500000000 ] - [ -0.0015706100000000, -0.0018626000000000, -0.0027839000000000 ] - [ 0.0002518500000000, -0.0000680700000000, -0.0011225600000000 ] - [ 0.0012543500000000, -0.0018254100000000, 0.0014319600000000 ] - [ -0.0015499500000000, 0.0003441300000000, -0.0002919600000000 ] - [ 0.0021962900000000, 0.0012851900000000, 0.0038623700000000 ] - [ 0.0023665400000000, 0.0003360700000000, -0.0001463100000000 ] - [ 0.0000000700000000, 0.0005717800000000, -0.0000087200000000 ] - [ -0.0209621300000000, 0.0091098500000000, -0.0115729300000000 ] - [ 0.0019644500000000, 0.0042448000000000, 0.0023394800000000 ] - [ -0.0011378400000000, -0.0003801600000000, -0.0004688200000000 ] - [ -0.0003754300000000, 0.0004126300000000, -0.0000162400000000 ] - [ -0.0000152900000000, -0.0000341800000000, -0.0000420600000000 ] - [ -0.0000180500000000, -0.0000980900000000, -0.0005311100000000 ] - [ 0.0006057700000000, 0.0009732000000000, -0.0006949000000000 ] - [ -0.0003493700000000, 0.0018317700000000, 0.0006256600000000 ] - [ 0.0008235500000000, 0.0003620600000000, -0.0014085400000000 ] - [ -0.0018739400000000, -0.0022831500000000, -0.0013742100000000 ] - [ -0.0014300800000000, -0.0002545300000000, 0.0004948000000000 ] - [ -0.0004606900000000, -0.0169782900000000, 0.0036741500000000 ] - [ 0.0002902300000000, 0.0005482500000000, 0.0009093500000000 ] - [ -0.0003025700000000, 0.0002825400000000, -0.0001151500000000 ] - [ -0.0012493000000000, 0.0001706800000000, -0.0008544200000000 ] - [ 0.0023892000000000, 0.0019217100000000, -0.0022509200000000 ] - [ -0.0030569100000000, -0.0007988500000000, 0.0018486800000000 ] - [ -0.0002420700000000, -0.0004199700000000, 0.0001433700000000 ] - [ -0.0027310700000000, 0.0036631700000000, -0.0002439000000000 ] - [ -0.0000499700000000, 0.0016777100000000, -0.0023293800000000 ] - [ 0.0001188200000000, -0.0001291700000000, -0.0006417200000000 ] - [ 0.0004715200000000, -0.0004089600000000, -0.0000035700000000 ] - [ -0.0061964600000000, 0.0022622800000000, 0.0029463500000000 ] - [ 0.0000814600000000, -0.0001224000000000, -0.0000087900000000 ] - [ 0.0003596100000000, -0.0002313400000000, -0.0000793400000000 ] - [ -0.0044019200000000, 0.0017303900000000, -0.0033548300000000 ]- atom: 44 displacement: [ -0.0049999999911976, 0.0086602540429265, 0.0000000000000000 ] forces: - [ -0.0000673500000000, 0.0016231000000000, -0.0005029400000000 ] - [ 0.0003306200000000, -0.0005868100000000, -0.0001064700000000 ] - [ -0.0001699500000000, 0.0000618800000000, 0.0000820600000000 ] - [ -0.0017501100000000, 0.0018719700000000, 0.0021432900000000 ] - [ -0.0001705300000000, -0.0000311100000000, 0.0001951700000000 ] - [ 0.0006587000000000, -0.0008442500000000, -0.0001142400000000 ] - [ 0.0002010600000000, -0.0002158700000000, 0.0001106700000000 ] - [ 0.0005181200000000, -0.0000138000000000, -0.0006456900000000 ] - [ -0.0000405900000000, 0.0000042100000000, 0.0005334400000000 ] - [ 0.0006844900000000, 0.0006245600000000, 0.0007906100000000 ] - [ 0.0034878800000000, 0.0002737700000000, 0.0011161700000000 ] - [ -0.0005588800000000, 0.0013533000000000, 0.0000556400000000 ] - [ -0.0009497700000000, 0.0011768100000000, -0.0008608400000000 ] - [ 0.0005714800000000, -0.0037238500000000, 0.0004538100000000 ] - [ -0.0000642700000000, -0.0000673600000000, -0.0007193900000000 ] - [ 0.0006177900000000, 0.0002909300000000, -0.0001732700000000 ] - [ -0.0005962400000000, -0.0008232500000000, -0.0002372600000000 ] - [ 0.0007291100000000, 0.0001121900000000, -0.0003503100000000 ] - [ -0.0007981700000000, -0.0000568100000000, -0.0002439300000000 ] - [ 0.0006283400000000, -0.0009422500000000, 0.0000099400000000 ] - [ -0.0006699500000000, 0.0009034100000000, 0.0001471800000000 ] - [ 0.0003539000000000, 0.0145446300000000, 0.0076720100000000 ] - [ -0.0041401500000000, -0.0006968900000000, -0.0009437900000000 ] - [ 0.0021615800000000, -0.0056471300000000, 0.0007383700000000 ] - [ -0.0018771900000000, -0.0061309100000000, 0.0051518400000000 ] - [ 0.0004493500000000, -0.0010260300000000, 0.0000222300000000 ] - [ -0.0004333900000000, -0.0010966100000000, 0.0022785800000000 ] - [ -0.0005551900000000, 0.0005068200000000, -0.0049276800000000 ] - [ 0.0001758400000000, 0.0000555300000000, 0.0000887000000000 ] - [ -0.0002604600000000, 0.0006440800000000, -0.0002451700000000 ] - [ -0.1829561400000000, 0.0647376500000000, -0.0165276800000000 ] - [ -0.0018858000000000, -0.0026191200000000, 0.0005875400000000 ] - [ -0.0004553100000000, 0.0006696100000000, -0.0000525100000000 ] - [ 0.0005373300000000, 0.0006814400000000, 0.0013235500000000 ] - [ -0.0002534000000000, -0.0001680700000000, -0.0004690600000000 ] - [ 0.0007094900000000, 0.0001888200000000, 0.0001362600000000 ] - [ -0.0061240500000000, -0.0092139200000000, -0.0160235500000000 ] - [ 0.0017218300000000, -0.0010022900000000, 0.0012358600000000 ] - [ 0.0029190500000000, -0.0040697400000000, -0.0007691600000000 ] - [ 0.0075384900000000, -0.0040341700000000, -0.0001946700000000 ] - [ -0.0006806100000000, 0.0007288900000000, -0.0001369600000000 ] - [ 0.0029747400000000, 0.0019728100000000, -0.0033807800000000 ] - [ -0.0031244300000000, 0.0034940900000000, -0.0094899100000000 ] - [ 0.2292531300000000, -0.0791165700000000, 0.0132468600000000 ] - [ -0.0009322200000000, 0.0000021200000000, 0.0015323200000000 ] - [ 0.0002696600000000, -0.0000382400000000, -0.0001754200000000 ] - [ -0.0001291100000000, -0.0002543200000000, -0.0001320100000000 ] - [ 0.0004648200000000, 0.0035675200000000, 0.0003126500000000 ] - [ -0.0003061200000000, 0.0003702900000000, -0.0008117200000000 ] - [ -0.0007652900000000, -0.0002209200000000, -0.0002257200000000 ] - [ 0.0003235800000000, 0.0005966000000000, -0.0002543400000000 ] - [ -0.0002542000000000, -0.0000494900000000, -0.0000338200000000 ] - [ 0.0009084200000000, -0.0011309500000000, 0.0012267300000000 ] - [ 0.0002844900000000, 0.0000749600000000, -0.0001207600000000 ] - [ 0.0007247000000000, 0.0008315800000000, 0.0002006700000000 ] - [ 0.0001645100000000, -0.0002869000000000, -0.0001990600000000 ] - [ 0.0102666100000000, -0.0058310500000000, 0.0018018300000000 ] - [ -0.0201219100000000, 0.0067827200000000, 0.0183563800000000 ] - [ -0.0003068400000000, -0.0002854400000000, 0.0004621400000000 ] - [ -0.0002060000000000, 0.0017363100000000, 0.0060744700000000 ] - [ 0.0003954700000000, -0.0006021200000000, -0.0006103100000000 ] - [ -0.0000662400000000, -0.0001029100000000, -0.0000121900000000 ] - [ -0.0007751100000000, 0.0026774800000000, -0.0000088800000000 ] - [ -0.0122649700000000, 0.0001003900000000, 0.0011648700000000 ] - [ 0.0035324200000000, 0.0018691400000000, 0.0040576700000000 ] - [ -0.0007682600000000, -0.0015992700000000, -0.0012523200000000 ] - [ 0.0001344800000000, -0.0001305400000000, -0.0004338100000000 ] - [ 0.0005974100000000, 0.0004337700000000, -0.0004359000000000 ] - [ -0.0005810600000000, 0.0000193900000000, -0.0003745600000000 ] - [ 0.0002895400000000, -0.0000970900000000, 0.0039455400000000 ] - [ 0.0004805000000000, 0.0025582300000000, -0.0001203000000000 ] - [ 0.0000276800000000, 0.0006897600000000, 0.0002102800000000 ] - [ -0.0231689700000000, -0.0020333100000000, -0.0127358400000000 ] - [ -0.0003967200000000, 0.0042018400000000, 0.0013983800000000 ] - [ -0.0006610800000000, 0.0001055800000000, -0.0002066900000000 ] - [ -0.0004400000000000, 0.0005187600000000, 0.0003176800000000 ] - [ -0.0001493500000000, -0.0001639000000000, 0.0001496900000000 ] - [ -0.0001739600000000, 0.0001663900000000, -0.0001911400000000 ] - [ 0.0003147500000000, 0.0009068600000000, -0.0006583000000000 ] - [ -0.0014805300000000, 0.0021326800000000, 0.0002242800000000 ] - [ 0.0005832100000000, 0.0001513500000000, -0.0010883900000000 ] - [ -0.0001245100000000, -0.0010834300000000, -0.0002374500000000 ] - [ -0.0006772900000000, 0.0010005100000000, 0.0006105500000000 ] - [ 0.0035211400000000, 0.0012772400000000, -0.0002367900000000 ] - [ 0.0006153200000000, 0.0009958400000000, 0.0016298000000000 ] - [ -0.0003119600000000, 0.0004009100000000, 0.0000923000000000 ] - [ -0.0004674200000000, 0.0010269200000000, -0.0004611100000000 ] - [ 0.0005427500000000, 0.0009487800000000, -0.0021509500000000 ] - [ -0.0002676600000000, -0.0004426700000000, 0.0000145200000000 ] - [ -0.0000556600000000, -0.0000323500000000, 0.0000622200000000 ] - [ -0.0033179600000000, 0.0020455100000000, -0.0002816600000000 ] - [ -0.0001439200000000, 0.0013360400000000, -0.0016948500000000 ] - [ 0.0002522200000000, 0.0002654000000000, 0.0001770800000000 ] - [ 0.0004475000000000, -0.0004141400000000, 0.0001862100000000 ] - [ -0.0027799500000000, 0.0006048900000000, 0.0016889500000000 ] - [ 0.0001171000000000, -0.0002612200000000, 0.0001168200000000 ] - [ 0.0003014500000000, -0.0003678000000000, 0.0001646000000000 ] - [ -0.0021059300000000, 0.0006385900000000, -0.0020388600000000 ]- atom: 44 displacement: [ 0.0049999999911976, -0.0086602540429265, 0.0000000000000000 ] forces: - [ -0.0001111100000000, -0.0014359100000000, 0.0004932600000000 ] - [ -0.0002480500000000, 0.0008117300000000, 0.0001228200000000 ] - [ -0.0000765500000000, -0.0000070500000000, -0.0000913800000000 ] - [ 0.0019312000000000, -0.0020639700000000, -0.0021350700000000 ] - [ 0.0001807200000000, 0.0000378400000000, -0.0002613500000000 ] - [ -0.0007339400000000, 0.0010660600000000, 0.0001274100000000 ] - [ -0.0001272900000000, -0.0000058500000000, -0.0001284600000000 ] - [ -0.0007480100000000, -0.0000233800000000, 0.0006555200000000 ] - [ 0.0000426500000000, 0.0000086300000000, -0.0004666400000000 ] - [ -0.0008340500000000, -0.0008123500000000, -0.0007850200000000 ] - [ -0.0034937700000000, -0.0002743200000000, -0.0011164100000000 ] - [ 0.0008104500000000, -0.0014036000000000, -0.0000564900000000 ] - [ 0.0007242500000000, -0.0005497600000000, 0.0011603200000000 ] - [ -0.0003369900000000, 0.0037681400000000, -0.0004616800000000 ] - [ 0.0002153200000000, 0.0002550900000000, 0.0007077800000000 ] - [ -0.0007020100000000, -0.0005153700000000, 0.0001863800000000 ] - [ 0.0005946700000000, 0.0008068600000000, 0.0001624900000000 ] - [ -0.0007301900000000, -0.0001122000000000, 0.0003504800000000 ] - [ 0.0006216500000000, 0.0003593900000000, 0.0002444700000000 ] - [ -0.0008032000000000, 0.0006367600000000, -0.0000109600000000 ] - [ 0.0010226300000000, -0.0009007800000000, -0.0001503600000000 ] - [ -0.0006332400000000, -0.0142771400000000, -0.0074921900000000 ] - [ 0.0042923300000000, 0.0004272200000000, 0.0009193000000000 ] - [ -0.0019753400000000, 0.0059493300000000, -0.0007315800000000 ] - [ 0.0018574800000000, 0.0061607000000000, -0.0048166200000000 ] - [ -0.0006636100000000, 0.0010904300000000, -0.0003290000000000 ] - [ 0.0006013000000000, 0.0009443800000000, -0.0019801900000000 ] - [ 0.0005481300000000, -0.0004982100000000, 0.0052511400000000 ] - [ -0.0001410000000000, -0.0002325500000000, -0.0003995400000000 ] - [ 0.0003084500000000, -0.0004556500000000, 0.0005537300000000 ] - [ 0.1892963200000000, -0.0638170200000000, 0.0171040400000000 ] - [ 0.0019542000000000, 0.0025843100000000, -0.0008977400000000 ] - [ 0.0005952900000000, -0.0005266900000000, -0.0002563300000000 ] - [ -0.0007128700000000, -0.0007404900000000, -0.0010136000000000 ] - [ 0.0002607000000000, 0.0001589900000000, 0.0001351500000000 ] - [ -0.0008667500000000, -0.0003280200000000, 0.0001707900000000 ] - [ 0.0061993600000000, 0.0094347700000000, 0.0163919600000000 ] - [ -0.0014929600000000, 0.0009366000000000, -0.0009332900000000 ] - [ -0.0027564600000000, 0.0041181900000000, 0.0004628300000000 ] - [ -0.0076879000000000, 0.0042055300000000, -0.0001072600000000 ] - [ 0.0006627000000000, -0.0006777400000000, 0.0001303100000000 ] - [ -0.0030539300000000, -0.0021759000000000, 0.0037547100000000 ] - [ 0.0029838100000000, -0.0033188500000000, 0.0098087300000000 ] - [ -0.2357180000000000, 0.0770973000000000, -0.0140074600000000 ] - [ 0.0010401100000000, -0.0001924900000000, -0.0011481600000000 ] - [ -0.0001504900000000, -0.0001467200000000, -0.0002034300000000 ] - [ 0.0001058400000000, -0.0000307100000000, 0.0002650200000000 ] - [ -0.0006813100000000, -0.0032758700000000, 0.0001307200000000 ] - [ 0.0003335400000000, -0.0003242000000000, 0.0008137300000000 ] - [ 0.0007142600000000, -0.0000310400000000, 0.0001988900000000 ] - [ -0.0004358600000000, -0.0002511600000000, -0.0001975200000000 ] - [ 0.0000616400000000, -0.0001210700000000, 0.0000618500000000 ] - [ -0.0007888000000000, 0.0013113100000000, -0.0008350600000000 ] - [ -0.0001850700000000, 0.0001174100000000, -0.0002679300000000 ] - [ -0.0005145100000000, -0.0008384400000000, -0.0005819100000000 ] - [ -0.0005258000000000, 0.0002140600000000, -0.0002563600000000 ] - [ -0.0101924600000000, 0.0056752500000000, -0.0018115000000000 ] - [ 0.0205759200000000, -0.0068078200000000, -0.0186809600000000 ] - [ 0.0002798300000000, 0.0005594600000000, -0.0005919000000000 ] - [ 0.0002073900000000, -0.0017321100000000, -0.0058351100000000 ] - [ -0.0001604800000000, 0.0003265600000000, 0.0001614100000000 ] - [ 0.0000135600000000, 0.0001010100000000, 0.0000137700000000 ] - [ 0.0009967700000000, -0.0026828800000000, 0.0003886100000000 ] - [ 0.0119664400000000, -0.0002659000000000, -0.0011152900000000 ] - [ -0.0032329800000000, -0.0019174800000000, -0.0044961100000000 ] - [ 0.0005356200000000, 0.0014425200000000, 0.0011189700000000 ] - [ -0.0001094200000000, 0.0000841300000000, 0.0004338800000000 ] - [ -0.0006050700000000, -0.0004292900000000, 0.0001959900000000 ] - [ 0.0007874900000000, -0.0001525900000000, 0.0002565700000000 ] - [ -0.0002792500000000, 0.0003781900000000, -0.0040947200000000 ] - [ -0.0006105800000000, -0.0023740400000000, -0.0002606200000000 ] - [ 0.0002101400000000, -0.0004256000000000, 0.0002423300000000 ] - [ 0.0235618500000000, 0.0017656000000000, 0.0131683200000000 ] - [ 0.0005776200000000, -0.0040419100000000, -0.0014295600000000 ] - [ 0.0004132000000000, -0.0002166500000000, 0.0000796600000000 ] - [ 0.0002328300000000, -0.0003841600000000, -0.0001968200000000 ] - [ -0.0002085400000000, 0.0002282500000000, 0.0003013800000000 ] - [ -0.0000463600000000, -0.0001650500000000, -0.0001903800000000 ] - [ -0.0002084900000000, -0.0005718600000000, 0.0002053500000000 ] - [ 0.0015365600000000, -0.0018812300000000, -0.0002016900000000 ] - [ -0.0003733700000000, -0.0000160600000000, 0.0010601500000000 ] - [ -0.0001117000000000, 0.0011912700000000, 0.0002047700000000 ] - [ 0.0009174800000000, -0.0008351300000000, -0.0004793100000000 ] - [ -0.0036478000000000, -0.0014096900000000, -0.0001693600000000 ] - [ -0.0008291700000000, -0.0009858800000000, -0.0012411800000000 ] - [ 0.0003241800000000, -0.0001511500000000, -0.0000654600000000 ] - [ 0.0002217400000000, -0.0012960500000000, 0.0000056900000000 ] - [ -0.0005411300000000, -0.0009499000000000, 0.0023799400000000 ] - [ 0.0002505700000000, 0.0001942100000000, -0.0000360100000000 ] - [ -0.0001563800000000, 0.0001870800000000, -0.0000953400000000 ] - [ 0.0031866000000000, -0.0023870800000000, 0.0007348500000000 ] - [ 0.0003640700000000, -0.0014501200000000, 0.0015761000000000 ] - [ -0.0002518500000000, -0.0002647700000000, -0.0004022000000000 ] - [ -0.0003273000000000, 0.0000666200000000, 0.0002677900000000 ] - [ 0.0025512500000000, -0.0004903900000000, -0.0015655600000000 ] - [ 0.0001374700000000, 0.0003725000000000, 0.0000130100000000 ] - [ -0.0000579300000000, 0.0002583200000000, -0.0001271200000000 ] - [ 0.0020717800000000, -0.0006826700000000, 0.0020328100000000 ]- atom: 44 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0005435800000000, 0.0005426200000000, 0.0008201400000000 ] - [ -0.0003488100000000, -0.0001983500000000, 0.0000708600000000 ] - [ -0.0001295400000000, 0.0000054300000000, -0.0006101500000000 ] - [ -0.0007303400000000, -0.0008292000000000, -0.0037553500000000 ] - [ 0.0001227000000000, 0.0001523800000000, -0.0001123200000000 ] - [ 0.0002237700000000, 0.0002754800000000, -0.0007605500000000 ] - [ 0.0000150600000000, -0.0000953700000000, -0.0005449800000000 ] - [ 0.0003406900000000, 0.0000254400000000, 0.0000682200000000 ] - [ -0.0000112400000000, 0.0000215500000000, -0.0012198900000000 ] - [ -0.0011859600000000, -0.0007086100000000, -0.0011297600000000 ] - [ -0.0026826100000000, -0.0001388400000000, -0.0009122200000000 ] - [ 0.0009806700000000, 0.0004177200000000, -0.0008254500000000 ] - [ 0.0013982400000000, -0.0007111600000000, 0.0044300600000000 ] - [ 0.0002580300000000, 0.0032860900000000, 0.0008832300000000 ] - [ 0.0001305200000000, -0.0000671400000000, -0.0012700000000000 ] - [ -0.0010232800000000, -0.0010434800000000, -0.0000844800000000 ] - [ -0.0007073600000000, -0.0014092800000000, -0.0004106100000000 ] - [ 0.0003790500000000, 0.0000493100000000, -0.0007432300000000 ] - [ -0.0005522400000000, -0.0002244100000000, -0.0018109100000000 ] - [ 0.0003349200000000, -0.0002964400000000, -0.0019328300000000 ] - [ 0.0005815600000000, 0.0004742700000000, -0.0025586900000000 ] - [ 0.0127820000000000, 0.0131867800000000, 0.0255832400000000 ] - [ 0.0024053100000000, -0.0017327600000000, 0.0059920200000000 ] - [ -0.0006095400000000, -0.0005340700000000, 0.0038053500000000 ] - [ 0.0025634700000000, 0.0076481900000000, -0.0034263100000000 ] - [ -0.0000653100000000, 0.0000524000000000, -0.0027495700000000 ] - [ 0.0002627900000000, 0.0009221700000000, -0.0027670000000000 ] - [ 0.0002642900000000, -0.0003128800000000, -0.0049821400000000 ] - [ 0.0000294600000000, 0.0001213800000000, -0.0022707100000000 ] - [ 0.0005154600000000, 0.0001499900000000, -0.0011712400000000 ] - [ 0.0285861900000000, 0.0032862300000000, 0.0616209900000000 ] - [ 0.0014984800000000, -0.0014841200000000, 0.0028337100000000 ] - [ 0.0000638700000000, 0.0000784400000000, -0.0025878000000000 ] - [ -0.0006682000000000, -0.0007549100000000, -0.0023042300000000 ] - [ 0.0000497300000000, -0.0000267700000000, -0.0025249900000000 ] - [ -0.0013216600000000, -0.0011160000000000, 0.0012779300000000 ] - [ 0.0072350200000000, -0.0026735200000000, -0.0052953800000000 ] - [ -0.0007952800000000, -0.0003751400000000, 0.0014150300000000 ] - [ 0.0000283000000000, -0.0004799700000000, 0.0030186500000000 ] - [ -0.0012812800000000, 0.0010705000000000, 0.0027824300000000 ] - [ 0.0005727900000000, 0.0008213200000000, -0.0019451300000000 ] - [ -0.0026526500000000, -0.0049353700000000, 0.0027592800000000 ] - [ 0.0049741400000000, -0.0072144900000000, 0.0094850100000000 ] - [ -0.0645291400000000, -0.0219125700000000, -0.0923477100000000 ] - [ -0.0011861200000000, -0.0000751200000000, 0.0017726600000000 ] - [ -0.0001021400000000, -0.0004969000000000, 0.0008441700000000 ] - [ -0.0000825000000000, -0.0003660200000000, 0.0012039300000000 ] - [ -0.0000801700000000, 0.0006964600000000, -0.0012628300000000 ] - [ 0.0006393700000000, -0.0003848300000000, 0.0019342200000000 ] - [ 0.0003283900000000, 0.0001204200000000, 0.0006395700000000 ] - [ -0.0000287500000000, 0.0004394700000000, -0.0008297200000000 ] - [ -0.0001487800000000, -0.0003393100000000, 0.0008480400000000 ] - [ 0.0000452700000000, -0.0002557700000000, 0.0019441200000000 ] - [ 0.0004542200000000, 0.0001677900000000, 0.0006831600000000 ] - [ 0.0004852900000000, 0.0014359200000000, -0.0008552800000000 ] - [ -0.0004819800000000, -0.0001796100000000, 0.0003691900000000 ] - [ 0.0086634900000000, 0.0058047700000000, -0.0121613900000000 ] - [ -0.0187031800000000, 0.0067584400000000, -0.0005596400000000 ] - [ -0.0001104300000000, -0.0001098900000000, 0.0003100500000000 ] - [ -0.0015147500000000, 0.0030715200000000, 0.0049449400000000 ] - [ 0.0000734900000000, 0.0003821700000000, 0.0004879500000000 ] - [ -0.0000740700000000, 0.0004370600000000, 0.0012123300000000 ] - [ 0.0005947800000000, -0.0021769800000000, -0.0006596300000000 ] - [ 0.0007704200000000, -0.0011644500000000, -0.0032749700000000 ] - [ -0.0047520800000000, 0.0076976100000000, 0.0081283000000000 ] - [ 0.0008199000000000, 0.0011779800000000, 0.0014641300000000 ] - [ -0.0004264400000000, -0.0002040900000000, 0.0016499300000000 ] - [ -0.0004328300000000, -0.0001813700000000, -0.0016985800000000 ] - [ 0.0007167700000000, -0.0002214100000000, 0.0000269300000000 ] - [ -0.0016621000000000, -0.0004052000000000, 0.0018446000000000 ] - [ 0.0000933300000000, -0.0000109300000000, -0.0020570500000000 ] - [ 0.0003406000000000, 0.0002779800000000, 0.0011923200000000 ] - [ 0.0277246300000000, -0.0101144400000000, 0.0029823300000000 ] - [ -0.0016773700000000, 0.0026301100000000, -0.0001409200000000 ] - [ -0.0000846900000000, 0.0000818400000000, 0.0001962100000000 ] - [ -0.0003652800000000, 0.0004658300000000, 0.0014634900000000 ] - [ -0.0004540200000000, 0.0001064700000000, 0.0011834400000000 ] - [ -0.0004359200000000, 0.0003493800000000, 0.0007305600000000 ] - [ -0.0003375300000000, -0.0003667000000000, 0.0004794100000000 ] - [ -0.0002193700000000, -0.0003726300000000, -0.0017583000000000 ] - [ -0.0000319100000000, -0.0004598000000000, 0.0014316200000000 ] - [ 0.0013335800000000, 0.0010963800000000, -0.0000730000000000 ] - [ 0.0004305300000000, -0.0004473100000000, -0.0011600500000000 ] - [ -0.0005151200000000, 0.0026165600000000, -0.0042313200000000 ] - [ 0.0007291000000000, 0.0010312700000000, 0.0018800900000000 ] - [ -0.0001193500000000, 0.0002959900000000, 0.0009132900000000 ] - [ 0.0002642700000000, 0.0003657800000000, -0.0006906200000000 ] - [ -0.0006188600000000, -0.0011505400000000, 0.0027723800000000 ] - [ 0.0000305700000000, -0.0002122800000000, -0.0011220700000000 ] - [ -0.0000302400000000, 0.0000768500000000, 0.0003761200000000 ] - [ 0.0000331700000000, -0.0000827000000000, -0.0012579400000000 ] - [ 0.0001272500000000, -0.0011351200000000, 0.0016729700000000 ] - [ 0.0001832100000000, 0.0003690700000000, 0.0016939900000000 ] - [ 0.0000965100000000, -0.0004181700000000, 0.0011645900000000 ] - [ 0.0013440400000000, 0.0000112800000000, -0.0013027100000000 ] - [ 0.0003219200000000, -0.0001185800000000, 0.0013239300000000 ] - [ 0.0003424400000000, -0.0000317900000000, 0.0011356700000000 ] - [ -0.0001562300000000, 0.0002046600000000, -0.0015971000000000 ]- atom: 44 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0006797300000000, -0.0003383000000000, -0.0008028500000000 ] - [ 0.0004459400000000, 0.0004245900000000, -0.0000577800000000 ] - [ -0.0001181200000000, 0.0000421900000000, 0.0006035600000000 ] - [ 0.0008631300000000, 0.0006308700000000, 0.0037322100000000 ] - [ -0.0001130000000000, -0.0001429400000000, 0.0000394000000000 ] - [ -0.0003177600000000, -0.0000617800000000, 0.0007585200000000 ] - [ 0.0000832300000000, -0.0001256400000000, 0.0005504500000000 ] - [ -0.0005718400000000, -0.0000503800000000, -0.0000625900000000 ] - [ 0.0000120700000000, -0.0000085000000000, 0.0012946800000000 ] - [ 0.0010448500000000, 0.0005123700000000, 0.0011301900000000 ] - [ 0.0026923500000000, 0.0001349400000000, 0.0009179100000000 ] - [ -0.0007359400000000, -0.0004627000000000, 0.0008246200000000 ] - [ -0.0014352400000000, 0.0007391100000000, -0.0043678200000000 ] - [ -0.0000216400000000, -0.0032869100000000, -0.0008528700000000 ] - [ 0.0000129500000000, 0.0002677000000000, 0.0012717400000000 ] - [ 0.0009586800000000, 0.0008215600000000, 0.0000837500000000 ] - [ 0.0007106900000000, 0.0014049200000000, 0.0003321000000000 ] - [ -0.0003786800000000, -0.0000494800000000, 0.0007411600000000 ] - [ 0.0003797100000000, 0.0005190300000000, 0.0018140600000000 ] - [ -0.0005018500000000, 0.0000003400000000, 0.0019344800000000 ] - [ -0.0002461500000000, -0.0004695900000000, 0.0025544400000000 ] - [ -0.0141116000000000, -0.0138355000000000, -0.0259840000000000 ] - [ -0.0022529700000000, 0.0014905700000000, -0.0060561400000000 ] - [ 0.0007916100000000, 0.0008264800000000, -0.0038173600000000 ] - [ -0.0026012800000000, -0.0076714200000000, 0.0037631900000000 ] - [ -0.0001519200000000, 0.0000120900000000, 0.0024450600000000 ] - [ -0.0000979800000000, -0.0010771000000000, 0.0030805500000000 ] - [ -0.0002733700000000, 0.0003171400000000, 0.0052986500000000 ] - [ 0.0000039400000000, -0.0003031900000000, 0.0019614500000000 ] - [ -0.0004643600000000, 0.0000472100000000, 0.0014836800000000 ] - [ -0.0302626100000000, -0.0033995300000000, -0.0623261700000000 ] - [ -0.0014672300000000, 0.0014862900000000, -0.0031455200000000 ] - [ 0.0000783300000000, 0.0000645300000000, 0.0022799300000000 ] - [ 0.0004952300000000, 0.0006949800000000, 0.0026295100000000 ] - [ -0.0000428800000000, 0.0000180600000000, 0.0021960800000000 ] - [ 0.0011773400000000, 0.0009807600000000, -0.0009789100000000 ] - [ -0.0073843900000000, 0.0027953500000000, 0.0055154600000000 ] - [ 0.0010342200000000, 0.0003081700000000, -0.0011218800000000 ] - [ 0.0001405500000000, 0.0005492500000000, -0.0033318000000000 ] - [ 0.0011377900000000, -0.0009102000000000, -0.0030971200000000 ] - [ -0.0006247300000000, -0.0007283100000000, 0.0019512100000000 ] - [ 0.0025545500000000, 0.0047987500000000, -0.0024218400000000 ] - [ -0.0051925000000000, 0.0075226500000000, -0.0092519400000000 ] - [ 0.0673332800000000, 0.0227520200000000, 0.0939895700000000 ] - [ 0.0013228000000000, -0.0001275700000000, -0.0013964200000000 ] - [ 0.0002169600000000, 0.0002935300000000, -0.0012259400000000 ] - [ 0.0000672000000000, 0.0000942400000000, -0.0010888100000000 ] - [ -0.0001593200000000, -0.0004253000000000, 0.0017198300000000 ] - [ -0.0005897000000000, 0.0004771600000000, -0.0019381500000000 ] - [ -0.0004028700000000, -0.0003798800000000, -0.0006808000000000 ] - [ -0.0000813300000000, -0.0000788300000000, 0.0003737200000000 ] - [ -0.0000424200000000, 0.0001533200000000, -0.0008108500000000 ] - [ 0.0000664800000000, 0.0004597100000000, -0.0015535000000000 ] - [ -0.0003427100000000, 0.0000189000000000, -0.0010816800000000 ] - [ -0.0002545900000000, -0.0014379100000000, 0.0004821400000000 ] - [ 0.0001190000000000, 0.0000994700000000, -0.0008261900000000 ] - [ -0.0086061300000000, -0.0059967300000000, 0.0120840200000000 ] - [ 0.0189711000000000, -0.0068023200000000, 0.0006270300000000 ] - [ 0.0000886500000000, 0.0003686000000000, -0.0004205000000000 ] - [ 0.0014987100000000, -0.0030352600000000, -0.0046808700000000 ] - [ 0.0001529700000000, -0.0006495600000000, -0.0009321200000000 ] - [ -0.0000323400000000, -0.0004382800000000, -0.0012129500000000 ] - [ -0.0003761900000000, 0.0021830600000000, 0.0010580000000000 ] - [ -0.0010129900000000, 0.0010373500000000, 0.0033284400000000 ] - [ 0.0051997900000000, -0.0079162800000000, -0.0087219300000000 ] - [ -0.0010478000000000, -0.0013274200000000, -0.0015923100000000 ] - [ 0.0004781300000000, 0.0001164400000000, -0.0016574900000000 ] - [ 0.0004316500000000, 0.0001747700000000, 0.0014538700000000 ] - [ -0.0005256300000000, 0.0001074300000000, -0.0001239500000000 ] - [ 0.0016910100000000, 0.0006835300000000, -0.0019475200000000 ] - [ -0.0002255300000000, 0.0001976000000000, 0.0016705900000000 ] - [ -0.0000820600000000, -0.0000087300000000, -0.0007291400000000 ] - [ -0.0274050000000000, 0.0096616100000000, -0.0028211200000000 ] - [ 0.0018811400000000, -0.0024643600000000, 0.0001432600000000 ] - [ -0.0001488600000000, -0.0001949700000000, -0.0003056200000000 ] - [ 0.0001638800000000, -0.0003467000000000, -0.0013611900000000 ] - [ 0.0000965000000000, -0.0000339400000000, -0.0007324500000000 ] - [ 0.0001887400000000, -0.0003276100000000, -0.0011039600000000 ] - [ 0.0004379500000000, 0.0007265000000000, -0.0009466600000000 ] - [ 0.0002709200000000, 0.0006142300000000, 0.0017712800000000 ] - [ 0.0002478700000000, 0.0005867600000000, -0.0014631800000000 ] - [ -0.0015794300000000, -0.0009977600000000, 0.0000429600000000 ] - [ -0.0002035300000000, 0.0005904800000000, 0.0012697800000000 ] - [ 0.0004099500000000, -0.0028268100000000, 0.0038527400000000 ] - [ -0.0009452300000000, -0.0010334200000000, -0.0014838600000000 ] - [ 0.0001350400000000, -0.0000576300000000, -0.0009034400000000 ] - [ -0.0005024300000000, -0.0006240300000000, 0.0002470600000000 ] - [ 0.0006253000000000, 0.0011554100000000, -0.0025470300000000 ] - [ -0.0000337200000000, -0.0000409200000000, 0.0011018200000000 ] - [ -0.0001764200000000, 0.0000668900000000, -0.0003947500000000 ] - [ -0.0001470400000000, -0.0002444100000000, 0.0017070800000000 ] - [ 0.0000742800000000, 0.0010238700000000, -0.0017825200000000 ] - [ -0.0001848200000000, -0.0003717500000000, -0.0019356400000000 ] - [ 0.0000194100000000, 0.0000837600000000, -0.0007212400000000 ] - [ -0.0015628000000000, 0.0001058800000000, 0.0014071300000000 ] - [ -0.0000862900000000, 0.0002324400000000, -0.0012155100000000 ] - [ -0.0000963200000000, -0.0000705600000000, -0.0011019000000000 ] - [ 0.0000954100000000, -0.0002945100000000, 0.0015994100000000 ]- atom: 47 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000054300000000, 0.0001379900000000, 0.0002589500000000 ] - [ 0.0000677400000000, -0.0000494700000000, 0.0001607900000000 ] - [ 0.0046745700000000, -0.0004103000000000, -0.0001332000000000 ] - [ -0.0003230300000000, 0.0000928300000000, 0.0004261900000000 ] - [ -0.0001245100000000, 0.0003006900000000, 0.0002776500000000 ] - [ -0.0005530400000000, -0.0006865600000000, 0.0003634000000000 ] - [ -0.0002654700000000, 0.0025108500000000, -0.0004898900000000 ] - [ 0.0001401900000000, 0.0000229700000000, 0.0002483200000000 ] - [ -0.0007999400000000, -0.0034234100000000, -0.0009871700000000 ] - [ 0.0057590500000000, 0.0008280500000000, 0.0008760200000000 ] - [ -0.0000118500000000, 0.0000183300000000, 0.0001655800000000 ] - [ -0.0006245600000000, 0.0000802900000000, 0.0000302300000000 ] - [ 0.0000045800000000, -0.0000604200000000, 0.0003190000000000 ] - [ 0.0001001900000000, 0.0000415800000000, 0.0001819900000000 ] - [ -0.0016759500000000, 0.0005103500000000, -0.0004935100000000 ] - [ -0.0001033200000000, -0.0001266900000000, 0.0002077600000000 ] - [ -0.0000408500000000, 0.0004075300000000, -0.0006320400000000 ] - [ -0.0061814700000000, -0.0002852000000000, 0.0050739100000000 ] - [ 0.0015812600000000, -0.0004346000000000, -0.0007583000000000 ] - [ -0.0003571300000000, 0.0003621900000000, -0.0018436200000000 ] - [ -0.0085295800000000, 0.0061459500000000, 0.0063184900000000 ] - [ 0.0000705300000000, 0.0004088400000000, -0.0003478800000000 ] - [ -0.0005245600000000, -0.0004120800000000, 0.0006084300000000 ] - [ 0.0006070000000000, 0.0001757100000000, 0.0004843900000000 ] - [ -0.0003541400000000, -0.0010707700000000, -0.0021923400000000 ] - [ -0.0025602000000000, -0.0028680000000000, -0.0033414200000000 ] - [ -0.0016319700000000, 0.0004748000000000, -0.0008835700000000 ] - [ 0.0011553400000000, -0.0031622600000000, 0.0021134400000000 ] - [ 0.0892256600000000, 0.0504407800000000, -0.0793157300000000 ] - [ 0.0028378900000000, -0.0008556700000000, 0.0006362400000000 ] - [ -0.0003894900000000, -0.0001197400000000, 0.0004188400000000 ] - [ -0.0000144500000000, 0.0002458200000000, 0.0005235100000000 ] - [ -0.0048893400000000, -0.0013239000000000, -0.0030472500000000 ] - [ -0.0002666100000000, 0.0006819000000000, -0.0003534700000000 ] - [ -0.0006287700000000, 0.0038565700000000, -0.0003244200000000 ] - [ 0.0038721900000000, 0.0011224200000000, 0.0039349800000000 ] - [ -0.0013022700000000, 0.0000420500000000, 0.0008485000000000 ] - [ -0.0008635600000000, 0.0013571000000000, 0.0031811500000000 ] - [ -0.0001764200000000, -0.0005190900000000, 0.0008746200000000 ] - [ 0.0007184600000000, 0.0000413600000000, 0.0009943000000000 ] - [ 0.0000176700000000, 0.0000549100000000, -0.0014083400000000 ] - [ 0.0007601900000000, 0.0000664200000000, 0.0007343900000000 ] - [ -0.0001107300000000, 0.0003210000000000, 0.0010593800000000 ] - [ 0.0003356000000000, -0.0000232500000000, 0.0001537100000000 ] - [ -0.0012550000000000, 0.0010621700000000, -0.0000178100000000 ] - [ 0.0009407900000000, -0.0024947400000000, 0.0001121600000000 ] - [ -0.0918463300000000, -0.0596607800000000, 0.0927547300000000 ] - [ -0.0000368500000000, 0.0003633700000000, 0.0000073700000000 ] - [ 0.0010414500000000, -0.0000868100000000, 0.0015810100000000 ] - [ -0.0000321100000000, -0.0002197800000000, 0.0000539200000000 ] - [ -0.0010606900000000, 0.0005270300000000, -0.0008445200000000 ] - [ -0.0106411800000000, -0.0110212500000000, 0.0062750000000000 ] - [ 0.0010714800000000, 0.0021693000000000, -0.0028158400000000 ] - [ -0.0007343500000000, -0.0022118000000000, -0.0009842200000000 ] - [ -0.0000117200000000, -0.0002160700000000, -0.0005971300000000 ] - [ -0.0023854300000000, -0.0009593300000000, -0.0019101800000000 ] - [ 0.0002709100000000, 0.0000577200000000, -0.0002119900000000 ] - [ 0.0002340500000000, -0.0001040800000000, -0.0003820200000000 ] - [ -0.0004186300000000, 0.0003597600000000, 0.0000987800000000 ] - [ -0.0003029800000000, 0.0005039700000000, -0.0007659100000000 ] - [ 0.0003044500000000, -0.0005654500000000, -0.0003983200000000 ] - [ -0.0087431400000000, 0.0013478400000000, 0.0073197500000000 ] - [ -0.0001970300000000, 0.0008482700000000, 0.0006583900000000 ] - [ -0.0003443000000000, 0.0000153800000000, -0.0001445100000000 ] - [ 0.0008367900000000, -0.0000609000000000, -0.0001226100000000 ] - [ 0.0000946900000000, -0.0001812300000000, -0.0001025700000000 ] - [ 0.0005718100000000, -0.0001908300000000, 0.0005463600000000 ] - [ 0.0000320600000000, -0.0001148600000000, -0.0006367200000000 ] - [ 0.0007858000000000, -0.0049314300000000, -0.0049825100000000 ] - [ 0.0013313900000000, 0.0002700100000000, -0.0004450800000000 ] - [ 0.0001036000000000, -0.0000439700000000, -0.0005054200000000 ] - [ 0.0003647800000000, 0.0012712300000000, 0.0009070200000000 ] - [ 0.0000967600000000, -0.0001253300000000, -0.0002541500000000 ] - [ 0.0004203900000000, 0.0000379500000000, -0.0002940600000000 ] - [ -0.0012944100000000, 0.0037459100000000, -0.0053719600000000 ] - [ 0.0016656200000000, 0.0021434900000000, 0.0011459900000000 ] - [ 0.0211436100000000, 0.0149495000000000, -0.0275663700000000 ] - [ 0.0007243100000000, -0.0016064500000000, -0.0004607200000000 ] - [ 0.0004717900000000, 0.0001705700000000, -0.0001225000000000 ] - [ 0.0000864100000000, 0.0002053000000000, -0.0001625700000000 ] - [ 0.0010266400000000, -0.0006139000000000, -0.0002362700000000 ] - [ -0.0018684100000000, -0.0010873400000000, 0.0003385400000000 ] - [ 0.0001037200000000, 0.0000978500000000, -0.0003919900000000 ] - [ -0.0001198500000000, -0.0001207700000000, -0.0003810100000000 ] - [ 0.0001081400000000, 0.0011573100000000, 0.0005403400000000 ] - [ 0.0000873800000000, 0.0027986800000000, 0.0017143500000000 ] - [ -0.0004488200000000, -0.0015776100000000, -0.0011499600000000 ] - [ 0.0005436000000000, 0.0014319700000000, 0.0019459500000000 ] - [ 0.0010787600000000, -0.0006207400000000, -0.0008059000000000 ] - [ -0.0008626700000000, -0.0001152900000000, 0.0001032800000000 ] - [ -0.0003347900000000, -0.0001550800000000, -0.0000211000000000 ] - [ 0.0004031700000000, -0.0001252400000000, -0.0000164400000000 ] - [ 0.0004299000000000, -0.0014282400000000, 0.0005075400000000 ] - [ 0.0012621500000000, -0.0000286100000000, 0.0008342800000000 ] - [ -0.0001500200000000, 0.0000710800000000, -0.0004302500000000 ] - [ 0.0034501100000000, -0.0011253100000000, 0.0017567700000000 ] - [ 0.0038431800000000, 0.0011350600000000, 0.0010031100000000 ] - [ -0.0004713100000000, 0.0001346400000000, -0.0015940700000000 ]- atom: 47 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0001674800000000, 0.0000570300000000, -0.0002658000000000 ] - [ 0.0000267300000000, 0.0002733600000000, -0.0001616400000000 ] - [ -0.0049423400000000, 0.0005371100000000, 0.0001563400000000 ] - [ 0.0004877000000000, -0.0002865400000000, -0.0004240200000000 ] - [ 0.0001353500000000, -0.0002956700000000, -0.0003492200000000 ] - [ 0.0004541100000000, 0.0009074900000000, -0.0003776200000000 ] - [ 0.0003384200000000, -0.0027451900000000, 0.0005107600000000 ] - [ -0.0003754300000000, -0.0000431200000000, -0.0002587700000000 ] - [ 0.0008095000000000, 0.0034296200000000, 0.0010595000000000 ] - [ -0.0059357700000000, -0.0010184100000000, -0.0008264800000000 ] - [ 0.0000069900000000, -0.0000191900000000, -0.0001694600000000 ] - [ 0.0008766300000000, -0.0001286900000000, -0.0000350000000000 ] - [ -0.0000158600000000, 0.0000530400000000, -0.0002500900000000 ] - [ 0.0001347000000000, -0.0000152300000000, -0.0001819200000000 ] - [ 0.0018178800000000, -0.0003054700000000, 0.0005049900000000 ] - [ 0.0000065900000000, -0.0000982700000000, -0.0002138700000000 ] - [ 0.0000398500000000, -0.0004204300000000, 0.0005647000000000 ] - [ 0.0060620800000000, 0.0002993100000000, -0.0050567700000000 ] - [ -0.0017720100000000, 0.0007287700000000, 0.0007739900000000 ] - [ 0.0001893300000000, -0.0005988500000000, 0.0017925400000000 ] - [ 0.0088843000000000, -0.0061190100000000, -0.0062950300000000 ] - [ -0.0004267700000000, -0.0004103000000000, 0.0003392100000000 ] - [ 0.0007026000000000, 0.0000994700000000, -0.0006171700000000 ] - [ -0.0004254000000000, 0.0001400000000000, -0.0004926700000000 ] - [ 0.0003420200000000, 0.0010790200000000, 0.0025173400000000 ] - [ 0.0023533900000000, 0.0029719900000000, 0.0030692500000000 ] - [ 0.0017988100000000, -0.0006230700000000, 0.0011995700000000 ] - [ -0.0011384300000000, 0.0031634900000000, -0.0017845200000000 ] - [ -0.0902673700000000, -0.0503251300000000, 0.0785356700000000 ] - [ -0.0027173900000000, 0.0009521900000000, -0.0004139000000000 ] - [ 0.0003366000000000, -0.0000741700000000, -0.0007393000000000 ] - [ 0.0000298100000000, -0.0002507900000000, -0.0008581400000000 ] - [ 0.0050340700000000, 0.0014548900000000, 0.0027724000000000 ] - [ 0.0000630500000000, -0.0007444200000000, 0.0006787100000000 ] - [ 0.0006498900000000, -0.0038342400000000, 0.0000169300000000 ] - [ -0.0040184100000000, -0.0012606700000000, -0.0036372900000000 ] - [ 0.0012690800000000, 0.0001354000000000, -0.0005518900000000 ] - [ 0.0010846800000000, -0.0014155200000000, -0.0028827900000000 ] - [ 0.0003425600000000, 0.0005746500000000, -0.0011992900000000 ] - [ -0.0008766000000000, 0.0001208000000000, -0.0013159600000000 ] - [ -0.0000153100000000, -0.0000564100000000, 0.0014179900000000 ] - [ -0.0008312700000000, -0.0002529800000000, -0.0003410100000000 ] - [ -0.0000188200000000, -0.0001635000000000, -0.0006740100000000 ] - [ 0.0000255400000000, 0.0000841700000000, 0.0003032500000000 ] - [ 0.0013079600000000, -0.0012459300000000, 0.0004166600000000 ] - [ -0.0008188800000000, 0.0023144300000000, -0.0004938500000000 ] - [ 0.0926938900000000, 0.0587887800000000, -0.0920625300000000 ] - [ -0.0001835500000000, -0.0000816000000000, 0.0004413800000000 ] - [ -0.0010468700000000, 0.0000817400000000, -0.0015924200000000 ] - [ 0.0000211500000000, -0.0000340600000000, -0.0000644900000000 ] - [ 0.0009354000000000, -0.0001918500000000, 0.0003954400000000 ] - [ 0.0104417600000000, 0.0107310400000000, -0.0061126400000000 ] - [ -0.0009441500000000, -0.0019936000000000, 0.0031836900000000 ] - [ 0.0008031400000000, 0.0024104400000000, 0.0005953400000000 ] - [ 0.0002115300000000, 0.0001871700000000, 0.0002168700000000 ] - [ 0.0019893800000000, 0.0008945600000000, 0.0014485600000000 ] - [ -0.0000457100000000, -0.0002007000000000, 0.0002491900000000 ] - [ -0.0002386900000000, 0.0001092600000000, 0.0003890000000000 ] - [ 0.0003672200000000, -0.0000575600000000, -0.0002193600000000 ] - [ 0.0002966900000000, -0.0005035500000000, 0.0009763700000000 ] - [ -0.0000661500000000, 0.0002830100000000, -0.0000583800000000 ] - [ 0.0087094900000000, -0.0013311900000000, -0.0071334800000000 ] - [ 0.0004057000000000, -0.0008282800000000, -0.0002777500000000 ] - [ 0.0001335700000000, -0.0001641500000000, 0.0001804300000000 ] - [ -0.0004815900000000, 0.0000063700000000, -0.0003222900000000 ] - [ -0.0003336300000000, -0.0000031100000000, -0.0000561200000000 ] - [ -0.0005641700000000, 0.0001980200000000, -0.0005650800000000 ] - [ -0.0000327600000000, 0.0001145000000000, 0.0004337200000000 ] - [ -0.0005562200000000, 0.0048084500000000, 0.0048594600000000 ] - [ -0.0013015600000000, 0.0000293700000000, 0.0002976500000000 ] - [ -0.0001949500000000, 0.0002368200000000, 0.0001334000000000 ] - [ -0.0001609300000000, -0.0010324600000000, -0.0004704600000000 ] - [ -0.0000521100000000, -0.0001712700000000, 0.0004114100000000 ] - [ -0.0002179600000000, 0.0001269400000000, 0.0002627400000000 ] - [ 0.0010263600000000, -0.0038795400000000, 0.0052403000000000 ] - [ -0.0018948100000000, -0.0020161500000000, -0.0010127100000000 ] - [ -0.0210977900000000, -0.0146082600000000, 0.0275609600000000 ] - [ -0.0009070100000000, 0.0015589000000000, 0.0000633200000000 ] - [ -0.0003559800000000, 0.0001457100000000, -0.0003241100000000 ] - [ -0.0000430300000000, 0.0000568200000000, 0.0002022800000000 ] - [ -0.0008146200000000, 0.0007546200000000, 0.0001982200000000 ] - [ 0.0016326700000000, 0.0012104300000000, -0.0003731900000000 ] - [ 0.0001432100000000, 0.0000932400000000, 0.0005569700000000 ] - [ -0.0000079500000000, -0.0000397000000000, -0.0000020100000000 ] - [ -0.0003209100000000, -0.0011297400000000, -0.0001661000000000 ] - [ -0.0000637100000000, -0.0025586900000000, -0.0016914800000000 ] - [ 0.0002105000000000, 0.0013110400000000, 0.0006956500000000 ] - [ -0.0005466700000000, -0.0014301300000000, -0.0017395900000000 ] - [ -0.0011055000000000, 0.0003686400000000, 0.0007829500000000 ] - [ 0.0006377600000000, 0.0002886000000000, -0.0001416900000000 ] - [ 0.0002171500000000, -0.0001895600000000, 0.0004843700000000 ] - [ -0.0001602900000000, 0.0000161200000000, -0.0001302100000000 ] - [ -0.0004306800000000, 0.0014205500000000, -0.0007274300000000 ] - [ -0.0011376700000000, -0.0003139200000000, -0.0003849600000000 ] - [ -0.0000966000000000, 0.0000359100000000, 0.0005849000000000 ] - [ -0.0031934300000000, 0.0012553700000000, -0.0016156300000000 ] - [ -0.0035999700000000, -0.0012545400000000, -0.0009666400000000 ] - [ 0.0004743100000000, -0.0001338300000000, 0.0016038800000000 ]- atom: 47 displacement: [ -0.0049999999911976, 0.0086602540429265, 0.0000000000000000 ] forces: - [ -0.0000381400000000, 0.0001793700000000, 0.0000477700000000 ] - [ -0.0001049500000000, -0.0000619100000000, 0.0000203000000000 ] - [ -0.0023158700000000, 0.0146148500000000, 0.0004694600000000 ] - [ 0.0002046800000000, 0.0000564500000000, 0.0000538900000000 ] - [ 0.0002657000000000, -0.0003362900000000, -0.0001566000000000 ] - [ -0.0008577400000000, -0.0003249000000000, -0.0000693200000000 ] - [ 0.0030030300000000, -0.0035132800000000, -0.0015016500000000 ] - [ -0.0002118900000000, 0.0004092200000000, 0.0004737700000000 ] - [ -0.0011394300000000, 0.0004860900000000, 0.0001869500000000 ] - [ -0.0022222000000000, 0.0056711800000000, 0.0013934200000000 ] - [ -0.0001059000000000, 0.0002164500000000, 0.0000992700000000 ] - [ 0.0006403600000000, -0.0000274900000000, -0.0002461200000000 ] - [ -0.0000668300000000, -0.0000425000000000, 0.0002208100000000 ] - [ 0.0000785600000000, 0.0000117500000000, 0.0001124700000000 ] - [ 0.0007688300000000, 0.0003786700000000, -0.0000513800000000 ] - [ 0.0000244900000000, -0.0002148300000000, 0.0001855400000000 ] - [ 0.0005803700000000, -0.0006425800000000, 0.0006208800000000 ] - [ 0.0009610400000000, 0.0037315800000000, -0.0017010800000000 ] - [ -0.0011819500000000, -0.0025233700000000, -0.0027225700000000 ] - [ -0.0005199200000000, -0.0111556100000000, 0.0078234500000000 ] - [ 0.0018673800000000, 0.0005327200000000, -0.0016163100000000 ] - [ 0.0006192600000000, 0.0009323500000000, 0.0012718800000000 ] - [ 0.0007434000000000, -0.0014270000000000, 0.0000804500000000 ] - [ -0.0006276500000000, -0.0004971100000000, -0.0002020100000000 ] - [ -0.0000600900000000, -0.0000022700000000, -0.0004812000000000 ] - [ -0.0047178300000000, -0.0023073700000000, -0.0010343800000000 ] - [ -0.0002765000000000, -0.0008904000000000, 0.0000168600000000 ] - [ -0.0027681900000000, -0.0001345900000000, 0.0003078400000000 ] - [ -0.0002692500000000, 0.1036127300000000, -0.0805039100000000 ] - [ 0.0003890100000000, 0.0004023800000000, -0.0014517300000000 ] - [ 0.0001832600000000, 0.0001582100000000, 0.0001978400000000 ] - [ 0.0003845600000000, -0.0004924700000000, 0.0001452800000000 ] - [ 0.0035836600000000, -0.0002121800000000, 0.0010753100000000 ] - [ 0.0029542500000000, -0.0010200800000000, 0.0007422700000000 ] - [ 0.0075156700000000, -0.0057307400000000, -0.0021627900000000 ] - [ 0.0006510100000000, -0.0014129400000000, 0.0046320100000000 ] - [ 0.0008911100000000, 0.0005525400000000, 0.0001388100000000 ] - [ 0.0014082300000000, -0.0020318700000000, -0.0035849600000000 ] - [ -0.0004276400000000, -0.0007390100000000, 0.0010254500000000 ] - [ -0.0011689100000000, 0.0005563500000000, -0.0007164600000000 ] - [ 0.0006267400000000, 0.0004787800000000, -0.0019416500000000 ] - [ -0.0001607500000000, 0.0000525400000000, 0.0003531100000000 ] - [ 0.0000779900000000, -0.0005099900000000, 0.0003135900000000 ] - [ 0.0000539100000000, -0.0000837500000000, 0.0000641700000000 ] - [ 0.0032828600000000, -0.0003520500000000, -0.0020600800000000 ] - [ -0.0013177100000000, 0.0003235300000000, 0.0005362900000000 ] - [ -0.0054506800000000, -0.1483502500000000, 0.0963496700000000 ] - [ -0.0000566000000000, 0.0004912200000000, -0.0000336700000000 ] - [ 0.0006547700000000, 0.0003291200000000, 0.0004075100000000 ] - [ -0.0025907600000000, 0.0001187900000000, -0.0022336800000000 ] - [ -0.0007094700000000, 0.0014761300000000, -0.0011632300000000 ] - [ 0.0052284900000000, 0.0386700900000000, -0.0334194300000000 ] - [ 0.0002939700000000, -0.0004074000000000, 0.0007144500000000 ] - [ -0.0035205600000000, 0.0057377400000000, 0.0027864500000000 ] - [ -0.0000326100000000, 0.0003088500000000, -0.0002405400000000 ] - [ -0.0000773200000000, -0.0003601300000000, 0.0001455100000000 ] - [ -0.0000586700000000, -0.0001837400000000, 0.0000219500000000 ] - [ -0.0001251200000000, -0.0002366000000000, -0.0002435100000000 ] - [ 0.0000057500000000, -0.0002642700000000, 0.0006314000000000 ] - [ 0.0006549300000000, 0.0000585500000000, -0.0004931200000000 ] - [ -0.0008682300000000, 0.0012166100000000, 0.0003981900000000 ] - [ 0.0043468900000000, -0.0073955900000000, 0.0037596400000000 ] - [ 0.0003911300000000, 0.0002438700000000, 0.0002004800000000 ] - [ 0.0002704300000000, -0.0006367400000000, -0.0002158600000000 ] - [ -0.0005417800000000, -0.0002037600000000, -0.0004767900000000 ] - [ -0.0008397500000000, -0.0002480900000000, -0.0005271300000000 ] - [ -0.0010390100000000, 0.0001660700000000, -0.0001255300000000 ] - [ -0.0001208100000000, 0.0001967600000000, -0.0003350200000000 ] - [ -0.0027010500000000, 0.0047211500000000, 0.0073980300000000 ] - [ -0.0005477700000000, -0.0002805200000000, 0.0001320700000000 ] - [ -0.0001698400000000, 0.0002891400000000, -0.0001468700000000 ] - [ 0.0032619100000000, 0.0040330200000000, 0.0009978800000000 ] - [ -0.0000473700000000, -0.0002146700000000, -0.0000976900000000 ] - [ 0.0001634800000000, 0.0002070800000000, -0.0000901800000000 ] - [ 0.0019876800000000, 0.0019362000000000, -0.0046226700000000 ] - [ 0.0007100400000000, 0.0003230500000000, 0.0004253700000000 ] - [ -0.0026898300000000, -0.0139399900000000, 0.0055144300000000 ] - [ -0.0045244000000000, 0.0058615100000000, 0.0016515400000000 ] - [ 0.0001825600000000, 0.0010016200000000, -0.0003668300000000 ] - [ 0.0003565500000000, 0.0002806200000000, -0.0001763900000000 ] - [ -0.0000710200000000, 0.0001686900000000, 0.0001646500000000 ] - [ -0.0003878600000000, -0.0002186200000000, -0.0027525700000000 ] - [ 0.0001987300000000, 0.0001020500000000, -0.0003196500000000 ] - [ -0.0003458200000000, 0.0002111500000000, -0.0006370400000000 ] - [ 0.0005883500000000, 0.0006472700000000, 0.0005149100000000 ] - [ 0.0035430100000000, 0.0023456300000000, 0.0015438500000000 ] - [ 0.0001465200000000, 0.0015590700000000, 0.0007293300000000 ] - [ 0.0005605200000000, 0.0000034300000000, 0.0005673000000000 ] - [ -0.0017094200000000, 0.0008309200000000, 0.0010673300000000 ] - [ 0.0000265200000000, -0.0002249600000000, 0.0004858300000000 ] - [ 0.0002205500000000, -0.0001145100000000, 0.0002732100000000 ] - [ 0.0002772000000000, 0.0000777300000000, -0.0001337000000000 ] - [ -0.0022908400000000, 0.0022475500000000, 0.0005425200000000 ] - [ -0.0007386100000000, 0.0011646700000000, -0.0000951200000000 ] - [ 0.0000957300000000, -0.0000920100000000, 0.0000702000000000 ] - [ -0.0024811500000000, 0.0006131200000000, -0.0004830900000000 ] - [ -0.0010707700000000, -0.0006652800000000, -0.0001941600000000 ] - [ 0.0004414000000000, -0.0002725100000000, 0.0017248200000000 ]- atom: 47 displacement: [ 0.0049999999911976, -0.0086602540429265, 0.0000000000000000 ] forces: - [ -0.0001110600000000, 0.0000124800000000, -0.0000461800000000 ] - [ 0.0001904500000000, 0.0002904100000000, -0.0000083100000000 ] - [ 0.0019200100000000, -0.0156380900000000, -0.0004528500000000 ] - [ -0.0000419700000000, -0.0002529100000000, -0.0000610900000000 ] - [ -0.0002539400000000, 0.0003383600000000, 0.0000892200000000 ] - [ 0.0007667100000000, 0.0005478900000000, 0.0000645800000000 ] - [ -0.0029013600000000, 0.0032881300000000, 0.0015074000000000 ] - [ -0.0000243000000000, -0.0004275200000000, -0.0004772200000000 ] - [ 0.0011443400000000, -0.0004487600000000, -0.0001123800000000 ] - [ 0.0020858900000000, -0.0059094600000000, -0.0013674500000000 ] - [ 0.0001005400000000, -0.0002155900000000, -0.0001028000000000 ] - [ -0.0003837100000000, -0.0000209000000000, 0.0002499600000000 ] - [ 0.0000558400000000, 0.0000368300000000, -0.0001544700000000 ] - [ 0.0001575400000000, 0.0000129600000000, -0.0001024400000000 ] - [ -0.0006210600000000, -0.0001871200000000, 0.0000495100000000 ] - [ -0.0001197300000000, -0.0000098600000000, -0.0001917900000000 ] - [ -0.0005845300000000, 0.0006327900000000, -0.0006990300000000 ] - [ -0.0009956600000000, -0.0037399400000000, 0.0017210600000000 ] - [ 0.0010275400000000, 0.0028254800000000, 0.0027546300000000 ] - [ 0.0003359900000000, 0.0108458200000000, -0.0077968800000000 ] - [ -0.0014588900000000, -0.0005896200000000, 0.0015915700000000 ] - [ -0.0009614200000000, -0.0009383900000000, -0.0012799200000000 ] - [ -0.0005729200000000, 0.0011399000000000, -0.0000893900000000 ] - [ 0.0007962600000000, 0.0007983700000000, 0.0001958700000000 ] - [ 0.0000485700000000, 0.0000119400000000, 0.0008237100000000 ] - [ 0.0045161700000000, 0.0023640100000000, 0.0007395300000000 ] - [ 0.0004454200000000, 0.0007266400000000, 0.0002946200000000 ] - [ 0.0027461800000000, 0.0001678900000000, 0.0000143300000000 ] - [ 0.0011297600000000, -0.1046313800000000, 0.0795779700000000 ] - [ -0.0003067200000000, -0.0003059200000000, 0.0016837600000000 ] - [ -0.0002291700000000, -0.0003564100000000, -0.0005087300000000 ] - [ -0.0003692500000000, 0.0004863800000000, -0.0004832700000000 ] - [ -0.0034214600000000, 0.0003736600000000, -0.0013742200000000 ] - [ -0.0031218800000000, 0.0009660300000000, -0.0004310800000000 ] - [ -0.0075631800000000, 0.0057219600000000, 0.0018499100000000 ] - [ -0.0007923500000000, 0.0012775500000000, -0.0043493300000000 ] - [ -0.0009276900000000, -0.0003763100000000, 0.0001664800000000 ] - [ -0.0011914700000000, 0.0019725400000000, 0.0038909500000000 ] - [ 0.0005969400000000, 0.0008009200000000, -0.0013459200000000 ] - [ 0.0009996200000000, -0.0003981900000000, 0.0004016400000000 ] - [ -0.0006679700000000, -0.0004051400000000, 0.0019539100000000 ] - [ 0.0000084500000000, -0.0002587400000000, 0.0000230100000000 ] - [ -0.0001845100000000, 0.0007242800000000, 0.0000669800000000 ] - [ 0.0003077700000000, 0.0001667200000000, 0.0003886900000000 ] - [ -0.0031184900000000, 0.0001404600000000, 0.0024284900000000 ] - [ 0.0014351400000000, -0.0005101300000000, -0.0009348600000000 ] - [ 0.0048710900000000, 0.1494118800000000, -0.0954908800000000 ] - [ -0.0002018900000000, -0.0002106300000000, 0.0004908600000000 ] - [ -0.0006185700000000, -0.0002495200000000, -0.0004178300000000 ] - [ 0.0025196800000000, -0.0003751900000000, 0.0021872500000000 ] - [ 0.0006050300000000, -0.0011112700000000, 0.0007085900000000 ] - [ -0.0053618100000000, -0.0381760700000000, 0.0329269200000000 ] - [ -0.0001940900000000, 0.0006018700000000, -0.0003016300000000 ] - [ 0.0036739500000000, -0.0056041300000000, -0.0032261900000000 ] - [ 0.0002875700000000, -0.0002795500000000, -0.0001295500000000 ] - [ -0.0003002900000000, 0.0002996000000000, -0.0005867700000000 ] - [ 0.0002706100000000, 0.0000179400000000, 0.0000238800000000 ] - [ 0.0002053200000000, 0.0002421100000000, 0.0002459800000000 ] - [ -0.0000240400000000, 0.0005315600000000, -0.0007126300000000 ] - [ -0.0006530700000000, -0.0000613400000000, 0.0007378900000000 ] - [ 0.0011065700000000, -0.0014933200000000, -0.0008484000000000 ] - [ -0.0044872400000000, 0.0074327600000000, -0.0035898900000000 ] - [ -0.0001572100000000, -0.0002721000000000, 0.0001895200000000 ] - [ -0.0004813400000000, 0.0005101900000000, 0.0002467700000000 ] - [ 0.0009041700000000, 0.0001330200000000, 0.0000323800000000 ] - [ 0.0006083500000000, 0.0000978400000000, 0.0004056300000000 ] - [ 0.0010756800000000, -0.0002418600000000, 0.0001230300000000 ] - [ 0.0001200100000000, -0.0001954800000000, 0.0000898200000000 ] - [ 0.0028741000000000, -0.0047805300000000, -0.0074195000000000 ] - [ 0.0005583700000000, 0.0005504600000000, -0.0002490000000000 ] - [ 0.0000268300000000, -0.0000998400000000, -0.0002398900000000 ] - [ -0.0029973000000000, -0.0037601600000000, -0.0005398300000000 ] - [ 0.0000641500000000, -0.0000499700000000, 0.0002142000000000 ] - [ 0.0000196700000000, -0.0000435100000000, 0.0000755600000000 ] - [ -0.0022414800000000, -0.0020603200000000, 0.0045248100000000 ] - [ -0.0009163900000000, -0.0001969500000000, -0.0003166700000000 ] - [ 0.0022252100000000, 0.0140149300000000, -0.0049261400000000 ] - [ 0.0042823800000000, -0.0058337600000000, -0.0020361700000000 ] - [ -0.0000822500000000, -0.0006472900000000, -0.0000929600000000 ] - [ -0.0003058300000000, -0.0000406000000000, 0.0001941400000000 ] - [ 0.0002738200000000, -0.0000322500000000, -0.0001934300000000 ] - [ 0.0001531600000000, 0.0003295100000000, 0.0027370600000000 ] - [ 0.0000330300000000, 0.0000477900000000, 0.0004431700000000 ] - [ 0.0002434500000000, -0.0004281100000000, 0.0002514200000000 ] - [ -0.0008242400000000, -0.0006757800000000, -0.0001314200000000 ] - [ -0.0035473800000000, -0.0021097400000000, -0.0015393500000000 ] - [ -0.0003885300000000, -0.0018173700000000, -0.0011701700000000 ] - [ -0.0005638600000000, -0.0000098400000000, -0.0003300100000000 ] - [ 0.0017055400000000, -0.0010823700000000, -0.0011001800000000 ] - [ -0.0002265900000000, 0.0004047400000000, -0.0005120000000000 ] - [ -0.0003271700000000, -0.0002286500000000, 0.0001777600000000 ] - [ -0.0000717200000000, -0.0001903700000000, 0.0000228800000000 ] - [ 0.0023084700000000, -0.0022557500000000, -0.0007887200000000 ] - [ 0.0008446100000000, -0.0015267200000000, 0.0005419200000000 ] - [ -0.0002983300000000, 0.0002056500000000, 0.0000398600000000 ] - [ 0.0027070800000000, -0.0005000800000000, 0.0005911300000000 ] - [ 0.0012905500000000, 0.0005552300000000, 0.0002228600000000 ] - [ -0.0004782500000000, 0.0002033500000000, -0.0017142900000000 ]- atom: 47 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0002046300000000, -0.0003921000000000, -0.0022873700000000 ] - [ -0.0004395000000000, -0.0000848900000000, -0.0013180200000000 ] - [ -0.0001547600000000, 0.0020327600000000, 0.0057721800000000 ] - [ 0.0003760900000000, -0.0002980200000000, -0.0010387400000000 ] - [ 0.0004366600000000, -0.0006527500000000, -0.0009927100000000 ] - [ 0.0012524000000000, 0.0006137800000000, 0.0009208300000000 ] - [ -0.0005115900000000, -0.0011831400000000, 0.0038171200000000 ] - [ -0.0004165600000000, 0.0011315600000000, -0.0017701000000000 ] - [ 0.0009190800000000, 0.0015562200000000, 0.0026256100000000 ] - [ 0.0000440000000000, 0.0006130900000000, 0.0055422400000000 ] - [ -0.0007568600000000, -0.0000101300000000, -0.0015609100000000 ] - [ 0.0003710200000000, 0.0000285200000000, 0.0009576400000000 ] - [ -0.0000294400000000, 0.0000260500000000, -0.0012953800000000 ] - [ 0.0000297000000000, -0.0000404400000000, -0.0010615800000000 ] - [ 0.0003007200000000, 0.0000577100000000, 0.0014891600000000 ] - [ -0.0000227000000000, 0.0000235100000000, -0.0011691800000000 ] - [ -0.0006199600000000, 0.0002691800000000, 0.0004741100000000 ] - [ 0.0066612200000000, 0.0001634900000000, 0.0016868300000000 ] - [ -0.0002048800000000, -0.0018054600000000, 0.0024097200000000 ] - [ -0.0005946300000000, 0.0061249500000000, -0.0033080000000000 ] - [ 0.0068833200000000, -0.0027676600000000, -0.0010418600000000 ] - [ -0.0027332900000000, -0.0005364700000000, -0.0046363100000000 ] - [ 0.0004370100000000, 0.0006949300000000, -0.0027837200000000 ] - [ -0.0002184800000000, -0.0004049700000000, -0.0019928100000000 ] - [ -0.0017567300000000, -0.0020391900000000, 0.0017866900000000 ] - [ -0.0004473600000000, 0.0023690900000000, 0.0043904600000000 ] - [ 0.0007254900000000, -0.0002584300000000, -0.0005508200000000 ] - [ 0.0015320200000000, 0.0016489700000000, -0.0031656900000000 ] - [ -0.0766494100000000, -0.1354258400000000, 0.2657638600000000 ] - [ 0.0082595200000000, -0.0155281600000000, -0.0173299300000000 ] - [ -0.0002734300000000, 0.0002666800000000, -0.0028982200000000 ] - [ -0.0003969800000000, 0.0001640100000000, -0.0037718800000000 ] - [ 0.0014084500000000, 0.0008975100000000, 0.0040165200000000 ] - [ -0.0022357700000000, -0.0003207300000000, -0.0007598300000000 ] - [ -0.0001717400000000, 0.0007768500000000, 0.0067743000000000 ] - [ 0.0000256200000000, 0.0052360900000000, -0.0075910800000000 ] - [ -0.0009391600000000, -0.0003470700000000, -0.0003454400000000 ] - [ 0.0019169500000000, -0.0026304000000000, -0.0057539100000000 ] - [ 0.0005719600000000, 0.0007151600000000, -0.0053113500000000 ] - [ -0.0001565900000000, -0.0002101600000000, -0.0048559200000000 ] - [ -0.0017936700000000, -0.0012633700000000, 0.0046503600000000 ] - [ 0.0002979400000000, -0.0000923200000000, 0.0001944700000000 ] - [ 0.0019752900000000, 0.0019190600000000, 0.0014871500000000 ] - [ 0.0006999400000000, 0.0001131900000000, 0.0013783000000000 ] - [ -0.0013853800000000, -0.0012753300000000, 0.0019177800000000 ] - [ -0.0002454600000000, 0.0014047200000000, -0.0023649100000000 ] - [ 0.0895536900000000, 0.1587743100000000, -0.3327721100000000 ] - [ -0.0004752000000000, 0.0000406900000000, 0.0016413700000000 ] - [ -0.0000498200000000, 0.0002160400000000, -0.0009992000000000 ] - [ 0.0015250500000000, -0.0006746100000000, 0.0010225200000000 ] - [ 0.0011343500000000, -0.0022637000000000, 0.0012920900000000 ] - [ -0.0019311900000000, -0.0179640100000000, 0.0038145500000000 ] - [ -0.0009058200000000, -0.0009564300000000, 0.0018437900000000 ] - [ -0.0009935600000000, 0.0012091900000000, -0.0027540000000000 ] - [ 0.0006385600000000, 0.0003842700000000, 0.0013540000000000 ] - [ -0.0041116500000000, 0.0022989800000000, 0.0016660400000000 ] - [ 0.0001176400000000, -0.0004815300000000, 0.0011420900000000 ] - [ 0.0000515700000000, 0.0005201400000000, 0.0012863500000000 ] - [ -0.0001784000000000, 0.0010103700000000, 0.0080006700000000 ] - [ -0.0003014100000000, -0.0002993900000000, 0.0025886100000000 ] - [ 0.0002267500000000, 0.0001724800000000, -0.0001442700000000 ] - [ -0.0072481200000000, 0.0044770200000000, 0.0444927100000000 ] - [ -0.0000536400000000, 0.0002690900000000, 0.0002839000000000 ] - [ -0.0004904500000000, 0.0002779000000000, 0.0021443400000000 ] - [ 0.0013378300000000, -0.0001016700000000, 0.0001352200000000 ] - [ 0.0003442700000000, 0.0002052400000000, 0.0010828300000000 ] - [ 0.0008597500000000, -0.0000858300000000, -0.0011273500000000 ] - [ -0.0000822500000000, 0.0001309500000000, 0.0026436600000000 ] - [ -0.0044792400000000, 0.0087231000000000, 0.0062694300000000 ] - [ -0.0003526000000000, 0.0001590300000000, -0.0005874500000000 ] - [ -0.0004009100000000, 0.0002711200000000, 0.0010837600000000 ] - [ -0.0011064600000000, -0.0024646300000000, -0.0011295600000000 ] - [ 0.0003532400000000, -0.0005180600000000, 0.0016880800000000 ] - [ 0.0000485700000000, 0.0001915700000000, 0.0001197300000000 ] - [ -0.0026398100000000, -0.0072043500000000, 0.0062707500000000 ] - [ -0.0006388600000000, -0.0015571800000000, -0.0028201400000000 ] - [ -0.0119148300000000, -0.0080533200000000, 0.0031623900000000 ] - [ 0.0013813500000000, -0.0020630500000000, -0.0021745100000000 ] - [ -0.0000946200000000, -0.0002012500000000, 0.0000305600000000 ] - [ -0.0001054100000000, 0.0002308800000000, 0.0013296700000000 ] - [ -0.0006885100000000, 0.0003772100000000, 0.0002774300000000 ] - [ 0.0009505500000000, -0.0023320500000000, 0.0066663300000000 ] - [ 0.0005033200000000, 0.0008575100000000, 0.0027725800000000 ] - [ 0.0004998500000000, -0.0009269000000000, 0.0017601800000000 ] - [ -0.0002624300000000, -0.0001661100000000, 0.0003790300000000 ] - [ 0.0004574400000000, 0.0000317700000000, -0.0022642100000000 ] - [ 0.0004960000000000, 0.0021227800000000, 0.0014987200000000 ] - [ 0.0007521000000000, 0.0007560000000000, -0.0020817100000000 ] - [ -0.0020827600000000, 0.0006232500000000, 0.0015381800000000 ] - [ 0.0005076700000000, 0.0043513700000000, 0.0014068800000000 ] - [ 0.0000061800000000, -0.0003028600000000, 0.0014986600000000 ] - [ 0.0000964900000000, 0.0000223400000000, 0.0009320600000000 ] - [ 0.0009618900000000, -0.0009658500000000, -0.0042125900000000 ] - [ -0.0004939800000000, -0.0000125200000000, -0.0009868700000000 ] - [ -0.0006151400000000, -0.0002447000000000, 0.0026266900000000 ] - [ -0.0013041800000000, 0.0004597200000000, -0.0028144500000000 ] - [ -0.0017986000000000, -0.0005041600000000, -0.0014268200000000 ] - [ 0.0008210200000000, -0.0001002000000000, 0.0034496600000000 ]- atom: 47 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0003759000000000, 0.0005831500000000, 0.0022852700000000 ] - [ 0.0005385500000000, 0.0003158900000000, 0.0013205600000000 ] - [ -0.0001082100000000, -0.0018987800000000, -0.0057545800000000 ] - [ -0.0002121500000000, 0.0001048500000000, 0.0010359400000000 ] - [ -0.0004313700000000, 0.0006660700000000, 0.0009468500000000 ] - [ -0.0013423800000000, -0.0003963400000000, -0.0009162300000000 ] - [ 0.0005980700000000, 0.0009821900000000, -0.0038015500000000 ] - [ 0.0001828700000000, -0.0011735700000000, 0.0017693400000000 ] - [ -0.0009138900000000, -0.0015458900000000, -0.0025822200000000 ] - [ 0.0000518100000000, -0.0004085800000000, -0.0048298900000000 ] - [ 0.0007656000000000, 0.0000096800000000, 0.0015647100000000 ] - [ -0.0001217900000000, -0.0000787300000000, -0.0009494400000000 ] - [ 0.0000176500000000, -0.0000332500000000, 0.0013442000000000 ] - [ 0.0002037400000000, 0.0000736400000000, 0.0010595500000000 ] - [ -0.0001602400000000, 0.0001415600000000, -0.0014762900000000 ] - [ -0.0000637000000000, -0.0002541900000000, 0.0011565100000000 ] - [ 0.0006180200000000, -0.0002817000000000, -0.0005152500000000 ] - [ -0.0067229900000000, -0.0001702800000000, -0.0016196500000000 ] - [ 0.0000283200000000, 0.0021179800000000, -0.0024477200000000 ] - [ 0.0004215700000000, -0.0064100700000000, 0.0032785400000000 ] - [ -0.0065438600000000, 0.0027543300000000, 0.0010097300000000 ] - [ 0.0023759700000000, 0.0005352800000000, 0.0046367300000000 ] - [ -0.0002629700000000, -0.0009982600000000, 0.0027850900000000 ] - [ 0.0003953500000000, 0.0007098900000000, 0.0019971300000000 ] - [ 0.0017397400000000, 0.0020405900000000, -0.0014429500000000 ] - [ 0.0002120200000000, -0.0023082200000000, -0.0047167300000000 ] - [ -0.0005611700000000, 0.0001103400000000, 0.0008392600000000 ] - [ -0.0015403000000000, -0.0016418800000000, 0.0034850800000000 ] - [ 0.0822194800000000, 0.1449618400000000, -0.2778727300000000 ] - [ -0.0083129900000000, 0.0158845500000000, 0.0177762400000000 ] - [ 0.0002221700000000, -0.0004610000000000, 0.0025887500000000 ] - [ 0.0004090800000000, -0.0001677700000000, 0.0034477400000000 ] - [ -0.0012761500000000, -0.0007553700000000, -0.0043472400000000 ] - [ 0.0020598500000000, 0.0002593700000000, 0.0010583500000000 ] - [ 0.0002046900000000, -0.0007849800000000, -0.0070992700000000 ] - [ -0.0001519300000000, -0.0053684300000000, 0.0079269900000000 ] - [ 0.0009026700000000, 0.0005220300000000, 0.0006699000000000 ] - [ -0.0016993600000000, 0.0025752700000000, 0.0060741100000000 ] - [ -0.0003983000000000, -0.0006531100000000, 0.0050027900000000 ] - [ -0.0000059400000000, 0.0003652800000000, 0.0045530100000000 ] - [ 0.0017698000000000, 0.0013087100000000, -0.0046531300000000 ] - [ -0.0003933100000000, -0.0001024400000000, 0.0001898400000000 ] - [ -0.0020900400000000, -0.0017338100000000, -0.0011033200000000 ] - [ -0.0003424900000000, -0.0000402500000000, -0.0009193600000000 ] - [ 0.0014907500000000, 0.0010892200000000, -0.0015243800000000 ] - [ 0.0003596500000000, -0.0015981400000000, 0.0019919200000000 ] - [ -0.0953514100000000, -0.1695998300000000, 0.3447538600000000 ] - [ 0.0002425100000000, 0.0002351900000000, -0.0011880600000000 ] - [ 0.0000768300000000, -0.0001836700000000, 0.0010139700000000 ] - [ -0.0015684500000000, 0.0004239200000000, -0.0010416900000000 ] - [ -0.0012490300000000, 0.0026075500000000, -0.0017568500000000 ] - [ 0.0017405000000000, 0.0178999300000000, -0.0036761300000000 ] - [ 0.0010219400000000, 0.0011426200000000, -0.0014499900000000 ] - [ 0.0010876500000000, -0.0009969400000000, 0.0023896000000000 ] - [ -0.0004210400000000, -0.0003966100000000, -0.0017366100000000 ] - [ 0.0038039600000000, -0.0023903200000000, -0.0021280100000000 ] - [ 0.0001017700000000, 0.0003306100000000, -0.0011015000000000 ] - [ -0.0000059400000000, -0.0005183300000000, -0.0012895200000000 ] - [ 0.0001523900000000, -0.0007441700000000, -0.0082184700000000 ] - [ 0.0003011000000000, 0.0003002100000000, -0.0023544200000000 ] - [ 0.0000089100000000, -0.0004541900000000, -0.0003000300000000 ] - [ 0.0072455100000000, -0.0044876800000000, -0.0456693300000000 ] - [ 0.0002738400000000, -0.0002627100000000, 0.0000947800000000 ] - [ 0.0002833400000000, -0.0004208300000000, -0.0021130700000000 ] - [ -0.0009837100000000, 0.0000344800000000, -0.0005909700000000 ] - [ -0.0005767600000000, -0.0003660700000000, -0.0012080800000000 ] - [ -0.0008434900000000, 0.0000442100000000, 0.0011379600000000 ] - [ 0.0000842300000000, -0.0001339600000000, -0.0028667000000000 ] - [ 0.0046577600000000, -0.0087992200000000, -0.0063855800000000 ] - [ 0.0003833200000000, 0.0001307100000000, 0.0004368800000000 ] - [ 0.0002937500000000, -0.0000791000000000, -0.0014652100000000 ] - [ 0.0013534900000000, 0.0027331800000000, 0.0015889400000000 ] - [ -0.0003203600000000, 0.0002416200000000, -0.0015514000000000 ] - [ 0.0001497700000000, -0.0000289500000000, -0.0001539200000000 ] - [ 0.0023466700000000, 0.0070347600000000, -0.0063869500000000 ] - [ 0.0004416300000000, 0.0017012900000000, 0.0029392500000000 ] - [ 0.0116572700000000, 0.0082268000000000, -0.0026416900000000 ] - [ -0.0016070000000000, 0.0020625000000000, 0.0017940200000000 ] - [ 0.0002040000000000, 0.0005381800000000, -0.0004795100000000 ] - [ 0.0001478100000000, 0.0000185300000000, -0.0013015000000000 ] - [ 0.0009065000000000, -0.0002442300000000, -0.0003020900000000 ] - [ -0.0011834800000000, 0.0024391700000000, -0.0066600300000000 ] - [ -0.0002713000000000, -0.0006948100000000, -0.0026358100000000 ] - [ -0.0006184200000000, 0.0007456200000000, -0.0021468600000000 ] - [ 0.0000408800000000, 0.0001689700000000, 0.0000082100000000 ] - [ -0.0004333300000000, 0.0002349100000000, 0.0023082200000000 ] - [ -0.0007320600000000, -0.0023801900000000, -0.0019548600000000 ] - [ -0.0007514800000000, -0.0007557000000000, 0.0022899200000000 ] - [ 0.0020621400000000, -0.0008756700000000, -0.0015715300000000 ] - [ -0.0007279600000000, -0.0042510800000000, -0.0014466700000000 ] - [ -0.0001127100000000, -0.0000321900000000, -0.0010413500000000 ] - [ 0.0001176500000000, -0.0001351700000000, -0.0010443100000000 ] - [ -0.0009653500000000, 0.0009676000000000, 0.0039773500000000 ] - [ 0.0006175300000000, -0.0003347100000000, 0.0014470100000000 ] - [ 0.0003894300000000, 0.0003580800000000, -0.0024978000000000 ] - [ 0.0015729100000000, -0.0003574400000000, 0.0029430100000000 ] - [ 0.0020468000000000, 0.0003943100000000, 0.0014672700000000 ] - [ -0.0008465000000000, 0.0000621400000000, -0.0034559200000000 ]- atom: 50 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0002087400000000, 0.0005728300000000, 0.0004372400000000 ] - [ -0.0010133300000000, 0.0002158600000000, -0.0000037400000000 ] - [ -0.0002693400000000, 0.0008110400000000, 0.0000336400000000 ] - [ -0.0048714500000000, -0.0031944700000000, 0.0005530200000000 ] - [ 0.0040587200000000, 0.0021122400000000, -0.0004282900000000 ] - [ -0.0000513300000000, 0.0000662200000000, -0.0002557900000000 ] - [ 0.0021234000000000, 0.0000766100000000, -0.0007329400000000 ] - [ 0.0108683100000000, -0.0029066000000000, -0.0052278200000000 ] - [ -0.0021225100000000, -0.0000691000000000, -0.0005199800000000 ] - [ -0.0002203900000000, -0.0001165200000000, -0.0007421700000000 ] - [ 0.0024669600000000, -0.0025018500000000, -0.0009959600000000 ] - [ -0.0001054000000000, 0.0000051000000000, 0.0006672100000000 ] - [ -0.0005133700000000, 0.0001307500000000, 0.0007270700000000 ] - [ 0.0002421000000000, -0.0008925900000000, 0.0005878400000000 ] - [ 0.0000365900000000, -0.0008946800000000, 0.0002310900000000 ] - [ 0.0021893400000000, 0.0014193200000000, -0.0039965900000000 ] - [ -0.0000062200000000, 0.0000075400000000, -0.0002821100000000 ] - [ 0.0008035200000000, -0.0004419300000000, -0.0000103100000000 ] - [ -0.0117364800000000, 0.0083389000000000, 0.0075460100000000 ] - [ 0.0146846900000000, 0.0053319900000000, 0.0093456800000000 ] - [ -0.0033125900000000, -0.0003861900000000, -0.0014605900000000 ] - [ -0.0009508900000000, 0.0001060100000000, -0.0002434000000000 ] - [ -0.0001766400000000, 0.0007151400000000, -0.0009622400000000 ] - [ 0.0002130600000000, -0.0003931800000000, 0.0001908800000000 ] - [ -0.0006354300000000, 0.0000745200000000, -0.0002194000000000 ] - [ -0.0027798900000000, -0.0027156000000000, -0.0017023700000000 ] - [ -0.0054409600000000, -0.0092608300000000, 0.0012089500000000 ] - [ -0.0190789500000000, -0.0038211400000000, 0.0046713600000000 ] - [ -0.0041890700000000, 0.0090673400000000, -0.0010482700000000 ] - [ -0.0002411900000000, 0.0078191800000000, 0.0006712800000000 ] - [ -0.0018866500000000, -0.0002982900000000, -0.0029200100000000 ] - [ 0.0004474400000000, 0.0005564900000000, -0.0005547300000000 ] - [ -0.0093788300000000, 0.0004419700000000, 0.0181213800000000 ] - [ 0.3351592100000000, 0.0254384800000000, 0.0127690800000000 ] - [ 0.0045134400000000, -0.0034835700000000, 0.0004135700000000 ] - [ -0.0001891300000000, 0.0003223900000000, -0.0003471400000000 ] - [ -0.0004156400000000, -0.0007568800000000, -0.0003006200000000 ] - [ 0.0011151200000000, -0.0004122300000000, -0.0001426900000000 ] - [ -0.0002802600000000, 0.0002813100000000, -0.0001154900000000 ] - [ -0.0001307100000000, 0.0003348600000000, 0.0011646500000000 ] - [ -0.0000523300000000, -0.0000612800000000, 0.0001640100000000 ] - [ 0.0004547300000000, -0.0002088900000000, 0.0004847300000000 ] - [ 0.0002001400000000, 0.0001205300000000, 0.0003308100000000 ] - [ 0.0013763600000000, -0.0001117200000000, 0.0005855900000000 ] - [ 0.0416503200000000, -0.0014013600000000, -0.0042048100000000 ] - [ -0.0002279600000000, 0.0008755700000000, 0.0001614000000000 ] - [ -0.0000344600000000, -0.0031003000000000, 0.0015955900000000 ] - [ 0.0002938100000000, -0.0001834600000000, 0.0001848700000000 ] - [ 0.0017151800000000, 0.0016592700000000, 0.0010674400000000 ] - [ -0.4786091000000000, -0.0433266900000000, -0.0192583300000000 ] - [ 0.0000630800000000, -0.0001059700000000, -0.0000382800000000 ] - [ 0.0037288700000000, -0.0083316600000000, 0.0104155800000000 ] - [ 0.0075262500000000, -0.0022501700000000, 0.0000570700000000 ] - [ -0.0023883700000000, -0.0015093700000000, -0.0027883500000000 ] - [ -0.0001979000000000, -0.0005817200000000, 0.0002271500000000 ] - [ 0.0001819000000000, -0.0015708200000000, -0.0004756300000000 ] - [ 0.0006838100000000, -0.0001785800000000, 0.0016564800000000 ] - [ 0.0001717300000000, 0.0005205900000000, 0.0010699200000000 ] - [ 0.0000534300000000, -0.0039826900000000, -0.0004984100000000 ] - [ 0.0043615900000000, 0.0002938000000000, -0.0028873000000000 ] - [ 0.0334104000000000, -0.0191622000000000, -0.0095953200000000 ] - [ 0.0007348700000000, -0.0034644200000000, -0.0009847800000000 ] - [ 0.0002358900000000, -0.0000537900000000, 0.0002254100000000 ] - [ 0.0000745100000000, -0.0001849900000000, -0.0002723400000000 ] - [ 0.0004906000000000, 0.0001462500000000, -0.0000975900000000 ] - [ 0.0302331200000000, 0.0126538800000000, 0.0143545500000000 ] - [ 0.0239713800000000, 0.0076665700000000, -0.0254642600000000 ] - [ -0.0011512700000000, -0.0005967400000000, 0.0002900900000000 ] - [ -0.0005799600000000, 0.0001066000000000, 0.0004461500000000 ] - [ 0.0000720900000000, 0.0005595800000000, -0.0001804300000000 ] - [ -0.0005100500000000, 0.0003154200000000, -0.0000277800000000 ] - [ 0.0020378500000000, 0.0023747300000000, 0.0018456700000000 ] - [ 0.0010972300000000, 0.0012066400000000, 0.0021188800000000 ] - [ 0.0000026200000000, 0.0005095500000000, 0.0000864700000000 ] - [ -0.0000930100000000, -0.0002627700000000, 0.0002899600000000 ] - [ 0.0000706000000000, 0.0011728500000000, 0.0007149700000000 ] - [ 0.0028523600000000, -0.0014109000000000, 0.0001886600000000 ] - [ -0.0066296900000000, 0.0044195000000000, 0.0033878900000000 ] - [ 0.0062303500000000, 0.0172963200000000, -0.0016221300000000 ] - [ 0.0001247500000000, 0.0002728900000000, -0.0001710600000000 ] - [ 0.0006162100000000, 0.0051356000000000, -0.0004614400000000 ] - [ -0.0000335700000000, -0.0000995700000000, 0.0002342800000000 ] - [ 0.0001915000000000, -0.0001074900000000, -0.0000671700000000 ] - [ 0.0001696900000000, -0.0004034100000000, -0.0000919200000000 ] - [ 0.0083120200000000, 0.0040347800000000, 0.0018875300000000 ] - [ 0.0017452100000000, -0.0001965400000000, -0.0000050000000000 ] - [ -0.0002770400000000, -0.0000052100000000, -0.0000988400000000 ] - [ 0.0007070100000000, -0.0000070400000000, 0.0004379900000000 ] - [ -0.0006226600000000, -0.0001082700000000, 0.0001091300000000 ] - [ 0.0005916900000000, -0.0050880500000000, 0.0004289800000000 ] - [ -0.0002200900000000, -0.0002043500000000, -0.0001549900000000 ] - [ 0.0018736600000000, 0.0022555600000000, -0.0013940300000000 ] - [ -0.0008253900000000, 0.0008775400000000, 0.0006083000000000 ] - [ 0.0038549900000000, -0.0010678300000000, -0.0028569800000000 ] - [ -0.0023533400000000, -0.0007978400000000, -0.0014501800000000 ] - [ -0.0006278000000000, 0.0002555500000000, -0.0039655300000000 ] - [ 0.0048925600000000, 0.0036414500000000, -0.0022530100000000 ] - [ -0.0003368900000000, 0.0000546700000000, -0.0004169700000000 ]- atom: 50 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000345400000000, -0.0004015400000000, -0.0004613800000000 ] - [ 0.0010971900000000, 0.0000118100000000, 0.0000333400000000 ] - [ 0.0000282500000000, -0.0007620300000000, -0.0000411800000000 ] - [ 0.0050602900000000, 0.0030211500000000, -0.0005421700000000 ] - [ -0.0040908500000000, -0.0020703100000000, 0.0003585900000000 ] - [ -0.0000202700000000, 0.0001570000000000, 0.0002768200000000 ] - [ -0.0020436000000000, -0.0003060300000000, 0.0007449100000000 ] - [ -0.0106806200000000, 0.0025631500000000, 0.0047344300000000 ] - [ 0.0021354600000000, 0.0000815700000000, 0.0005800800000000 ] - [ 0.0000679800000000, -0.0000740000000000, 0.0007577100000000 ] - [ -0.0024953500000000, 0.0025026900000000, 0.0009951300000000 ] - [ 0.0003566900000000, -0.0000659100000000, -0.0006596300000000 ] - [ 0.0005076600000000, -0.0001380200000000, -0.0006571300000000 ] - [ -0.0000066100000000, 0.0009300400000000, -0.0005878200000000 ] - [ 0.0001119700000000, 0.0010903000000000, -0.0002417400000000 ] - [ -0.0023209800000000, -0.0016556500000000, 0.0039962600000000 ] - [ 0.0000047500000000, -0.0000200100000000, 0.0002149400000000 ] - [ -0.0008091100000000, 0.0004443800000000, 0.0000077100000000 ] - [ 0.0116293700000000, -0.0081049500000000, -0.0076201200000000 ] - [ -0.0138763700000000, -0.0047422700000000, -0.0080284500000000 ] - [ 0.0036753500000000, 0.0004160600000000, 0.0014478600000000 ] - [ 0.0006203800000000, -0.0001048200000000, 0.0002422200000000 ] - [ 0.0003409400000000, -0.0010173400000000, 0.0009680300000000 ] - [ -0.0000367500000000, 0.0006979500000000, -0.0001941100000000 ] - [ 0.0006304400000000, -0.0000658600000000, 0.0005507500000000 ] - [ 0.0025828900000000, 0.0027960000000000, 0.0013988300000000 ] - [ 0.0056266200000000, 0.0091676400000000, -0.0009172000000000 ] - [ 0.0191399800000000, 0.0038333300000000, -0.0043501700000000 ] - [ 0.0042580000000000, -0.0092891400000000, 0.0007386400000000 ] - [ 0.0002994600000000, -0.0076850900000000, -0.0003537100000000 ] - [ 0.0018459100000000, 0.0001052000000000, 0.0026404600000000 ] - [ -0.0004389900000000, -0.0005635200000000, 0.0002067200000000 ] - [ 0.0095771800000000, -0.0003069000000000, -0.0185387800000000 ] - [ -0.3594061000000000, -0.0277377000000000, -0.0126016200000000 ] - [ -0.0045821000000000, 0.0035749900000000, -0.0007570700000000 ] - [ 0.0000396900000000, -0.0004650300000000, 0.0006549000000000 ] - [ 0.0003881000000000, 0.0009445000000000, 0.0006103600000000 ] - [ -0.0009078300000000, 0.0003511500000000, 0.0004380200000000 ] - [ 0.0004557500000000, -0.0002265700000000, -0.0001875100000000 ] - [ -0.0000041200000000, -0.0001751800000000, -0.0014978200000000 ] - [ 0.0000161500000000, 0.0001378000000000, -0.0001674900000000 ] - [ -0.0005929200000000, 0.0000176300000000, -0.0000948400000000 ] - [ -0.0003104600000000, 0.0000973600000000, 0.0000479100000000 ] - [ -0.0010155900000000, 0.0001990000000000, -0.0001385300000000 ] - [ -0.0408793300000000, 0.0011204000000000, 0.0045869200000000 ] - [ 0.0003349200000000, -0.0011243300000000, -0.0005297100000000 ] - [ 0.0000198900000000, 0.0028365300000000, -0.0014813500000000 ] - [ -0.0005383000000000, 0.0004654800000000, 0.0002529200000000 ] - [ -0.0016815900000000, -0.0015942200000000, -0.0010696900000000 ] - [ 0.5022203700000000, 0.0449626400000000, 0.0187045400000000 ] - [ -0.0001715800000000, 0.0004625900000000, -0.0004091500000000 ] - [ -0.0039648300000000, 0.0081694600000000, -0.0103722900000000 ] - [ -0.0074128700000000, 0.0024482200000000, 0.0003326100000000 ] - [ 0.0025577000000000, 0.0017065100000000, 0.0024225300000000 ] - [ 0.0004384400000000, 0.0006080000000000, -0.0006101600000000 ] - [ -0.0005599900000000, 0.0014885800000000, 0.0000194400000000 ] - [ -0.0004800600000000, 0.0000216700000000, -0.0016419600000000 ] - [ -0.0000948000000000, -0.0005232900000000, -0.0010791800000000 ] - [ -0.0000923100000000, 0.0042799700000000, 0.0003790100000000 ] - [ -0.0043678300000000, -0.0002914600000000, 0.0030987900000000 ] - [ -0.0338342700000000, 0.0193424900000000, 0.0092451400000000 ] - [ -0.0008294100000000, 0.0034785000000000, 0.0009917900000000 ] - [ -0.0000024500000000, 0.0000280000000000, 0.0001618400000000 ] - [ -0.0003074300000000, 0.0000708500000000, 0.0003103500000000 ] - [ -0.0001275400000000, -0.0002300400000000, -0.0003541900000000 ] - [ -0.0310164400000000, -0.0131277500000000, -0.0148828000000000 ] - [ -0.0242760800000000, -0.0079535100000000, 0.0258118300000000 ] - [ 0.0011612600000000, 0.0005853400000000, -0.0005176100000000 ] - [ 0.0007839000000000, -0.0002225900000000, -0.0005489000000000 ] - [ -0.0000610500000000, -0.0002918000000000, 0.0000660500000000 ] - [ 0.0003638900000000, -0.0001267700000000, -0.0003549000000000 ] - [ -0.0018226200000000, -0.0021306700000000, -0.0014118700000000 ] - [ -0.0010873200000000, -0.0014777600000000, -0.0020283900000000 ] - [ 0.0001779900000000, -0.0003402200000000, -0.0001058600000000 ] - [ -0.0001416900000000, 0.0001491300000000, -0.0004027400000000 ] - [ -0.0002766300000000, -0.0010586400000000, -0.0006093300000000 ] - [ -0.0032413900000000, 0.0014938800000000, 0.0002700700000000 ] - [ 0.0064518400000000, -0.0045218000000000, -0.0038839500000000 ] - [ -0.0061940100000000, -0.0169173700000000, 0.0011625000000000 ] - [ -0.0000645800000000, -0.0000299700000000, 0.0001892200000000 ] - [ -0.0003995400000000, -0.0050307100000000, 0.0004314800000000 ] - [ -0.0002141600000000, 0.0001942000000000, -0.0002708300000000 ] - [ 0.0000381300000000, 0.0002579800000000, 0.0001787700000000 ] - [ -0.0002737000000000, 0.0001796500000000, -0.0002860700000000 ] - [ -0.0085602300000000, -0.0040473800000000, -0.0015033300000000 ] - [ -0.0017534400000000, 0.0004394400000000, 0.0000249200000000 ] - [ 0.0000269200000000, -0.0002596200000000, -0.0003477600000000 ] - [ -0.0007118100000000, 0.0000069800000000, -0.0001973100000000 ] - [ 0.0006298200000000, -0.0001338700000000, -0.0001292500000000 ] - [ -0.0007961800000000, 0.0053002500000000, -0.0004607100000000 ] - [ 0.0001069600000000, -0.0001488600000000, 0.0006073200000000 ] - [ -0.0016774700000000, -0.0023816100000000, 0.0012916500000000 ] - [ 0.0008436900000000, -0.0009022600000000, -0.0008666300000000 ] - [ -0.0037648000000000, 0.0007181600000000, 0.0033296500000000 ] - [ 0.0021393300000000, 0.0009308300000000, 0.0016162900000000 ] - [ 0.0008763100000000, -0.0001389000000000, 0.0041165400000000 ] - [ -0.0046843900000000, -0.0037745400000000, 0.0023141200000000 ] - [ 0.0002984100000000, -0.0001285800000000, 0.0004335000000000 ]- atom: 50 displacement: [ -0.0049999999911976, 0.0086602540429265, 0.0000000000000000 ] forces: - [ 0.0002452500000000, -0.0006143800000000, -0.0005504900000000 ] - [ 0.0004231700000000, -0.0001633000000000, 0.0003262600000000 ] - [ 0.0002199000000000, -0.0007010900000000, -0.0002137200000000 ] - [ 0.0008676900000000, -0.0001054400000000, 0.0001528900000000 ] - [ -0.0007578600000000, -0.0048476800000000, 0.0012554000000000 ] - [ -0.0000956500000000, 0.0001671300000000, -0.0000765800000000 ] - [ -0.0009289200000000, 0.0009015800000000, 0.0001645500000000 ] - [ -0.0081487400000000, 0.0066333600000000, 0.0062971600000000 ] - [ 0.0009150400000000, 0.0003757500000000, 0.0001955600000000 ] - [ 0.0000410100000000, -0.0001390900000000, 0.0004049700000000 ] - [ -0.0014197000000000, -0.0007587500000000, -0.0007187600000000 ] - [ 0.0001612000000000, -0.0000013800000000, -0.0002350600000000 ] - [ 0.0002131500000000, 0.0000475600000000, -0.0002484200000000 ] - [ -0.0000763900000000, 0.0000457000000000, 0.0001974600000000 ] - [ -0.0000748000000000, 0.0000131300000000, -0.0001970500000000 ] - [ -0.0006405000000000, 0.0005893800000000, 0.0008361900000000 ] - [ -0.0000096800000000, 0.0000258400000000, -0.0003987400000000 ] - [ -0.0004160500000000, -0.0000411400000000, 0.0000938700000000 ] - [ 0.0097961300000000, -0.0057143700000000, -0.0075001500000000 ] - [ 0.0003232100000000, 0.0129200800000000, 0.0066773400000000 ] - [ 0.0021554500000000, -0.0015666600000000, 0.0003737700000000 ] - [ 0.0002997400000000, -0.0005568600000000, -0.0002328800000000 ] - [ 0.0002924100000000, 0.0000030300000000, 0.0001335800000000 ] - [ -0.0001423800000000, 0.0007942600000000, -0.0001777100000000 ] - [ 0.0002398800000000, 0.0001087900000000, 0.0001363800000000 ] - [ 0.0003628400000000, 0.0009408600000000, -0.0006693800000000 ] - [ -0.0014319200000000, -0.0016621500000000, 0.0005829500000000 ] - [ 0.0086184600000000, 0.0036972900000000, -0.0007522500000000 ] - [ 0.0038132600000000, -0.0045654400000000, 0.0027519100000000 ] - [ 0.0024915800000000, -0.0091589100000000, 0.0013535700000000 ] - [ 0.0002739700000000, -0.0003931600000000, 0.0000756600000000 ] - [ 0.0000065200000000, 0.0000061500000000, 0.0021975000000000 ] - [ 0.0002926100000000, 0.0020747500000000, -0.0020796800000000 ] - [ -0.1565907900000000, 0.0323242400000000, 0.0030640600000000 ] - [ -0.0004402500000000, -0.0032872600000000, -0.0019078600000000 ] - [ 0.0000981200000000, -0.0004297600000000, 0.0000907100000000 ] - [ -0.0000952300000000, 0.0000498200000000, -0.0000509100000000 ] - [ -0.0004157000000000, 0.0007665000000000, -0.0002175300000000 ] - [ 0.0001377200000000, -0.0000710500000000, -0.0002472400000000 ] - [ 0.0010480300000000, 0.0002218000000000, -0.0024535200000000 ] - [ -0.0000433500000000, 0.0000667100000000, 0.0000747300000000 ] - [ -0.0001850100000000, -0.0000985800000000, 0.0001839900000000 ] - [ -0.0002311000000000, 0.0000151600000000, 0.0002711000000000 ] - [ -0.0001013900000000, 0.0001934700000000, 0.0002657200000000 ] - [ -0.0197513100000000, -0.0024243200000000, 0.0016740500000000 ] - [ 0.0003547200000000, 0.0012801000000000, -0.0004153400000000 ] - [ -0.0000845800000000, 0.0015398400000000, -0.0011640900000000 ] - [ -0.0002835000000000, 0.0001895800000000, 0.0002951300000000 ] - [ 0.0007904900000000, 0.0002644100000000, 0.0007493000000000 ] - [ 0.2082175000000000, -0.0529752800000000, -0.0203818300000000 ] - [ -0.0002272400000000, 0.0002657600000000, -0.0001742100000000 ] - [ -0.0031681600000000, 0.0026054300000000, -0.0072358000000000 ] - [ -0.0026160100000000, 0.0007916900000000, 0.0000871700000000 ] - [ 0.0004491000000000, 0.0018974700000000, 0.0015996800000000 ] - [ 0.0000004400000000, -0.0003562700000000, -0.0007266400000000 ] - [ -0.0018356000000000, 0.0018966800000000, -0.0005299500000000 ] - [ 0.0000859500000000, -0.0000754300000000, -0.0000588700000000 ] - [ 0.0000046900000000, 0.0000672200000000, 0.0000314500000000 ] - [ -0.0023642300000000, 0.0057626600000000, 0.0000423100000000 ] - [ -0.0019484100000000, -0.0006449300000000, 0.0009166000000000 ] - [ -0.0439674400000000, 0.0133950600000000, 0.0084685000000000 ] - [ -0.0020798300000000, 0.0032756600000000, -0.0006291300000000 ] - [ 0.0000507700000000, -0.0000601300000000, 0.0002727000000000 ] - [ -0.0006625800000000, 0.0002793200000000, 0.0006463900000000 ] - [ 0.0001608800000000, 0.0000829800000000, -0.0001397200000000 ] - [ 0.0052198700000000, -0.0092271800000000, 0.0017522200000000 ] - [ 0.0044117100000000, -0.0051638100000000, -0.0015413500000000 ] - [ 0.0001650100000000, 0.0009216300000000, -0.0023898200000000 ] - [ 0.0004140200000000, -0.0003032400000000, -0.0001865400000000 ] - [ 0.0000485600000000, 0.0001362200000000, 0.0000706700000000 ] - [ 0.0004499600000000, -0.0000593000000000, -0.0007544500000000 ] - [ -0.0000572000000000, -0.0010927100000000, 0.0000534200000000 ] - [ -0.0000958800000000, -0.0001027700000000, -0.0003034600000000 ] - [ 0.0001701300000000, 0.0000232600000000, 0.0000373200000000 ] - [ -0.0001292800000000, 0.0001314500000000, -0.0000718000000000 ] - [ -0.0001100200000000, -0.0000747000000000, 0.0002079300000000 ] - [ -0.0022839100000000, 0.0007716400000000, 0.0001690900000000 ] - [ 0.0006842900000000, 0.0024716400000000, 0.0048772500000000 ] - [ 0.0059877000000000, 0.0056173200000000, 0.0002810100000000 ] - [ 0.0001057200000000, 0.0000471700000000, 0.0000547100000000 ] - [ -0.0000937600000000, 0.0007612200000000, -0.0001227000000000 ] - [ -0.0001775400000000, 0.0002901300000000, -0.0000421400000000 ] - [ 0.0001918200000000, 0.0004997800000000, 0.0001320000000000 ] - [ -0.0004420600000000, 0.0005582400000000, -0.0007651500000000 ] - [ -0.0060341400000000, -0.0030931300000000, -0.0013173000000000 ] - [ -0.0005955600000000, 0.0003589100000000, 0.0002232400000000 ] - [ -0.0000218900000000, -0.0005030600000000, -0.0001398900000000 ] - [ -0.0002997700000000, -0.0001252800000000, 0.0001184300000000 ] - [ 0.0002879700000000, -0.0003003500000000, 0.0000203300000000 ] - [ -0.0006111100000000, 0.0057504100000000, -0.0009933300000000 ] - [ -0.0003753200000000, -0.0006922800000000, 0.0007550700000000 ] - [ 0.0008805300000000, 0.0004588000000000, -0.0006513000000000 ] - [ -0.0000804700000000, 0.0006790800000000, 0.0014214800000000 ] - [ -0.0004118100000000, -0.0026377300000000, 0.0020222100000000 ] - [ 0.0000974400000000, 0.0000679200000000, 0.0026788800000000 ] - [ 0.0007608500000000, -0.0004526700000000, 0.0006941000000000 ] - [ -0.0005394500000000, -0.0006153100000000, 0.0001166300000000 ] - [ 0.0002670700000000, -0.0002646300000000, 0.0010361500000000 ]- atom: 50 displacement: [ 0.0049999999911976, -0.0086602540429265, 0.0000000000000000 ] forces: - [ -0.0004048000000000, 0.0008108100000000, 0.0005643900000000 ] - [ -0.0003194500000000, 0.0003914000000000, -0.0003196400000000 ] - [ -0.0004732900000000, 0.0007446700000000, 0.0002119700000000 ] - [ -0.0007199100000000, -0.0001022000000000, -0.0001560300000000 ] - [ 0.0007547500000000, 0.0048303000000000, -0.0013289000000000 ] - [ 0.0000057800000000, 0.0000551500000000, 0.0000780900000000 ] - [ 0.0010301500000000, -0.0011209200000000, -0.0001456300000000 ] - [ 0.0083701300000000, -0.0068502200000000, -0.0068382500000000 ] - [ -0.0009135800000000, -0.0003625900000000, -0.0001191500000000 ] - [ -0.0001911900000000, -0.0000576200000000, -0.0004010200000000 ] - [ 0.0014335400000000, 0.0007543200000000, 0.0007235000000000 ] - [ 0.0000898900000000, -0.0000445800000000, 0.0002386000000000 ] - [ -0.0002245600000000, -0.0000539100000000, 0.0003277500000000 ] - [ 0.0003125900000000, -0.0000273700000000, -0.0001846800000000 ] - [ 0.0002249400000000, 0.0001802000000000, 0.0001911900000000 ] - [ 0.0005467900000000, -0.0008076800000000, -0.0008448900000000 ] - [ 0.0000086100000000, -0.0000376500000000, 0.0003190100000000 ] - [ 0.0004178300000000, 0.0000387700000000, -0.0000934500000000 ] - [ -0.0099281000000000, 0.0059994500000000, 0.0074364800000000 ] - [ -0.0005525400000000, -0.0134210500000000, -0.0068799900000000 ] - [ -0.0018293300000000, 0.0015620300000000, -0.0003867000000000 ] - [ -0.0006512000000000, 0.0005551600000000, 0.0002340600000000 ] - [ -0.0001178400000000, -0.0003050100000000, -0.0001344000000000 ] - [ 0.0003217600000000, -0.0004868300000000, 0.0001787800000000 ] - [ -0.0002537400000000, -0.0000980900000000, 0.0001890500000000 ] - [ -0.0005652700000000, -0.0008758400000000, 0.0003627300000000 ] - [ 0.0016218000000000, 0.0015118700000000, -0.0002782200000000 ] - [ -0.0085988500000000, -0.0036595200000000, 0.0010698800000000 ] - [ -0.0037823900000000, 0.0043512500000000, -0.0031016300000000 ] - [ -0.0024681600000000, 0.0093624400000000, -0.0010602100000000 ] - [ -0.0003312300000000, 0.0001989100000000, -0.0003926200000000 ] - [ 0.0000057800000000, -0.0000082100000000, -0.0025135300000000 ] - [ -0.0002116000000000, -0.0018878900000000, 0.0018579500000000 ] - [ 0.1537648900000000, -0.0341118300000000, -0.0028348700000000 ] - [ 0.0004099000000000, 0.0033131300000000, 0.0015732100000000 ] - [ -0.0002442400000000, 0.0002898000000000, 0.0002175700000000 ] - [ 0.0000597700000000, 0.0001228900000000, 0.0003619700000000 ] - [ 0.0006361900000000, -0.0008273600000000, 0.0005235200000000 ] - [ 0.0000358400000000, 0.0001323200000000, -0.0000572600000000 ] - [ -0.0012035800000000, -0.0000632800000000, 0.0021496700000000 ] - [ 0.0000277400000000, -0.0000281800000000, -0.0000771500000000 ] - [ 0.0000847700000000, -0.0000939200000000, 0.0002065800000000 ] - [ 0.0001135200000000, 0.0001709200000000, 0.0001086600000000 ] - [ 0.0004683700000000, -0.0001196400000000, 0.0001917400000000 ] - [ 0.0199862900000000, 0.0022605600000000, -0.0012914300000000 ] - [ -0.0002323500000000, -0.0014676800000000, 0.0000350200000000 ] - [ 0.0000567300000000, -0.0018225700000000, 0.0013113500000000 ] - [ 0.0000519500000000, 0.0000913600000000, 0.0001510500000000 ] - [ -0.0007752800000000, -0.0002291600000000, -0.0007490200000000 ] - [ -0.2055699900000000, 0.0544987100000000, 0.0211009800000000 ] - [ 0.0001065300000000, 0.0000829900000000, -0.0002802700000000 ] - [ 0.0029587200000000, -0.0027391700000000, 0.0073034400000000 ] - [ 0.0027437000000000, -0.0006206600000000, 0.0003050800000000 ] - [ -0.0003163200000000, -0.0016912000000000, -0.0019591500000000 ] - [ 0.0002154500000000, 0.0003467000000000, 0.0003403800000000 ] - [ 0.0014853200000000, -0.0019621000000000, 0.0000828800000000 ] - [ 0.0001333900000000, -0.0000735200000000, 0.0000984600000000 ] - [ 0.0000336200000000, -0.0000624300000000, -0.0000292700000000 ] - [ 0.0023598800000000, -0.0055200300000000, -0.0001993700000000 ] - [ 0.0019500700000000, 0.0006408100000000, -0.0006886000000000 ] - [ 0.0432668200000000, -0.0133277200000000, -0.0088032000000000 ] - [ 0.0020691200000000, -0.0032982000000000, 0.0006660400000000 ] - [ 0.0001727500000000, 0.0000586700000000, 0.0001081200000000 ] - [ 0.0004495900000000, -0.0004159700000000, -0.0006145200000000 ] - [ 0.0002012400000000, -0.0001480700000000, -0.0003142400000000 ] - [ -0.0053677900000000, 0.0090158300000000, -0.0018971600000000 ] - [ -0.0042147900000000, 0.0051382100000000, 0.0014241700000000 ] - [ -0.0001614000000000, -0.0009203900000000, 0.0021426700000000 ] - [ -0.0002086300000000, 0.0001650500000000, 0.0000558000000000 ] - [ -0.0000224100000000, 0.0001532100000000, -0.0002143300000000 ] - [ -0.0005655400000000, 0.0002535500000000, 0.0003737000000000 ] - [ 0.0002904000000000, 0.0013563000000000, 0.0003989500000000 ] - [ 0.0001312200000000, -0.0001740800000000, 0.0004478400000000 ] - [ 0.0000244100000000, 0.0001465100000000, -0.0000690800000000 ] - [ -0.0001275500000000, -0.0002424000000000, -0.0000659200000000 ] - [ -0.0001028900000000, 0.0002163100000000, -0.0000774100000000 ] - [ 0.0019267200000000, -0.0007045300000000, 0.0002847900000000 ] - [ -0.0008720800000000, -0.0025114300000000, -0.0052461700000000 ] - [ -0.0058291300000000, -0.0052430600000000, -0.0007226300000000 ] - [ -0.0000571500000000, 0.0002054600000000, -0.0000240600000000 ] - [ 0.0003031600000000, -0.0006233500000000, 0.0000947600000000 ] - [ -0.0000622800000000, -0.0001763800000000, 0.0000018400000000 ] - [ 0.0000420800000000, -0.0003338600000000, 0.0000034400000000 ] - [ 0.0003255500000000, -0.0007452300000000, 0.0003768500000000 ] - [ 0.0057721800000000, 0.0030847900000000, 0.0016834400000000 ] - [ 0.0005950800000000, -0.0001028900000000, -0.0001804100000000 ] - [ -0.0002246800000000, 0.0002302400000000, -0.0003203800000000 ] - [ 0.0002999200000000, 0.0001244300000000, 0.0001173200000000 ] - [ -0.0003035200000000, 0.0000511000000000, -0.0000496900000000 ] - [ 0.0003890700000000, -0.0055703400000000, 0.0009454600000000 ] - [ 0.0002612900000000, 0.0003433300000000, -0.0002961900000000 ] - [ -0.0006642600000000, -0.0005670200000000, 0.0005198500000000 ] - [ 0.0000891100000000, -0.0006863400000000, -0.0016603100000000 ] - [ 0.0005437900000000, 0.0022353700000000, -0.0015414500000000 ] - [ -0.0003308200000000, 0.0000505600000000, -0.0025425400000000 ] - [ -0.0004972100000000, 0.0005616600000000, -0.0005680300000000 ] - [ 0.0007985800000000, 0.0005114000000000, -0.0000987700000000 ] - [ -0.0002881100000000, 0.0002322500000000, -0.0010381900000000 ]- atom: 50 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0000832500000000, -0.0001988000000000, 0.0000539000000000 ] - [ 0.0000333500000000, 0.0000426300000000, 0.0005602000000000 ] - [ 0.0002602900000000, 0.0002974500000000, -0.0004581700000000 ] - [ -0.0027608900000000, -0.0020305100000000, 0.0010378500000000 ] - [ -0.0003316500000000, 0.0016505200000000, 0.0018903700000000 ] - [ -0.0000899200000000, 0.0001359100000000, -0.0006258800000000 ] - [ 0.0004121500000000, 0.0002211500000000, -0.0021486700000000 ] - [ -0.0054238000000000, 0.0041307200000000, 0.0110138000000000 ] - [ -0.0003196400000000, -0.0002154900000000, -0.0002765700000000 ] - [ -0.0001976700000000, -0.0001163700000000, -0.0011383500000000 ] - [ 0.0003856400000000, -0.0028456700000000, -0.0006600200000000 ] - [ 0.0002826400000000, -0.0000348800000000, -0.0009418100000000 ] - [ 0.0001481700000000, 0.0001264800000000, 0.0000365900000000 ] - [ 0.0004019400000000, -0.0001066600000000, 0.0001807400000000 ] - [ -0.0002555000000000, 0.0001546900000000, -0.0006793700000000 ] - [ -0.0012542800000000, 0.0008547800000000, -0.0037605400000000 ] - [ -0.0000455800000000, 0.0000485300000000, -0.0012477700000000 ] - [ 0.0001592600000000, 0.0002866400000000, -0.0008806800000000 ] - [ -0.0000649900000000, 0.0002594100000000, 0.0028437900000000 ] - [ 0.0135355100000000, 0.0126342100000000, 0.0305801900000000 ] - [ 0.0002949500000000, -0.0000781300000000, 0.0037026100000000 ] - [ 0.0001514000000000, -0.0001959700000000, -0.0021683800000000 ] - [ -0.0004319500000000, 0.0002668100000000, -0.0021259600000000 ] - [ 0.0004245600000000, 0.0007113800000000, -0.0019339600000000 ] - [ 0.0000448500000000, 0.0000558100000000, -0.0021149700000000 ] - [ -0.0005545300000000, -0.0012990600000000, 0.0004952700000000 ] - [ -0.0009202400000000, -0.0013339400000000, 0.0027225100000000 ] - [ -0.0015426200000000, 0.0000067900000000, 0.0029474200000000 ] - [ -0.0038619400000000, 0.0088947100000000, 0.0023895400000000 ] - [ 0.0004424500000000, -0.0005855200000000, 0.0066340900000000 ] - [ -0.0009986500000000, -0.0005932000000000, -0.0029932600000000 ] - [ 0.0000801600000000, 0.0007537500000000, -0.0022816700000000 ] - [ 0.0046306000000000, -0.0022453400000000, -0.0080962300000000 ] - [ 0.0022240200000000, 0.0086924400000000, 0.0607982000000000 ] - [ 0.0044483100000000, -0.0081758500000000, -0.0013625900000000 ] - [ -0.0002027900000000, -0.0001400100000000, -0.0018923400000000 ] - [ -0.0001602800000000, -0.0000339500000000, -0.0023245400000000 ] - [ -0.0000423900000000, 0.0003304400000000, -0.0035979900000000 ] - [ 0.0001767800000000, 0.0002183800000000, -0.0011155900000000 ] - [ 0.0033727900000000, 0.0000868500000000, -0.0063700300000000 ] - [ -0.0003669200000000, -0.0001459700000000, 0.0010999200000000 ] - [ 0.0003594800000000, -0.0000718300000000, 0.0011391800000000 ] - [ -0.0002276400000000, -0.0002985700000000, 0.0012360200000000 ] - [ 0.0006649400000000, 0.0000628600000000, 0.0008863200000000 ] - [ 0.0032946400000000, -0.0002138400000000, -0.0046568700000000 ] - [ 0.0002297400000000, 0.0019115400000000, -0.0009872200000000 ] - [ 0.0000422100000000, -0.0026799200000000, 0.0011134300000000 ] - [ -0.0000149700000000, 0.0000030000000000, 0.0006047600000000 ] - [ -0.0005289600000000, 0.0003235500000000, -0.0014883600000000 ] - [ -0.0207994300000000, -0.0352358200000000, -0.1110409500000000 ] - [ -0.0000178900000000, -0.0001076600000000, 0.0006129400000000 ] - [ 0.0072297500000000, -0.0079401300000000, 0.0089459600000000 ] - [ 0.0008358100000000, 0.0006088800000000, -0.0016156100000000 ] - [ -0.0021041400000000, 0.0006789400000000, -0.0011462800000000 ] - [ 0.0004504100000000, -0.0003548400000000, 0.0008733600000000 ] - [ -0.0007885800000000, -0.0001291400000000, -0.0019948100000000 ] - [ 0.0007397500000000, -0.0000976300000000, 0.0014697500000000 ] - [ 0.0000726200000000, 0.0007718500000000, 0.0018849700000000 ] - [ -0.0017261900000000, 0.0029115100000000, -0.0023654000000000 ] - [ 0.0003065300000000, -0.0001688200000000, -0.0018931200000000 ] - [ -0.0017143100000000, -0.0011447600000000, -0.0123882700000000 ] - [ 0.0006425900000000, -0.0025094200000000, -0.0033185300000000 ] - [ -0.0002104100000000, 0.0002069000000000, 0.0011070800000000 ] - [ -0.0016668300000000, 0.0009208200000000, 0.0014675600000000 ] - [ 0.0000527200000000, 0.0001479700000000, 0.0006837100000000 ] - [ 0.0329077100000000, 0.0118105500000000, 0.0036589200000000 ] - [ -0.0240246600000000, -0.0076021900000000, 0.0076979200000000 ] - [ 0.0003022200000000, -0.0014971400000000, 0.0009999600000000 ] - [ -0.0001216400000000, 0.0002414900000000, 0.0020546800000000 ] - [ -0.0001640900000000, -0.0001637800000000, 0.0012337500000000 ] - [ -0.0005162800000000, 0.0000067700000000, 0.0005780600000000 ] - [ 0.0012546600000000, 0.0010535100000000, 0.0001622000000000 ] - [ 0.0008163000000000, 0.0006497700000000, 0.0016399100000000 ] - [ 0.0000434800000000, -0.0000516100000000, 0.0007948900000000 ] - [ 0.0000970500000000, -0.0001878200000000, 0.0010423100000000 ] - [ 0.0000696700000000, 0.0002255500000000, 0.0003656800000000 ] - [ 0.0017062200000000, -0.0010309700000000, -0.0009041100000000 ] - [ -0.0043969500000000, 0.0115336300000000, 0.0089400400000000 ] - [ 0.0011996200000000, 0.0025926800000000, -0.0035343100000000 ] - [ -0.0001514700000000, 0.0000709100000000, 0.0003346400000000 ] - [ 0.0006271700000000, 0.0008960500000000, -0.0015103400000000 ] - [ 0.0001096100000000, 0.0002130100000000, 0.0009605500000000 ] - [ 0.0002092700000000, 0.0004628900000000, 0.0002210000000000 ] - [ 0.0001660800000000, -0.0005507000000000, 0.0007006100000000 ] - [ -0.0001808800000000, -0.0003184100000000, -0.0007901800000000 ] - [ 0.0000227800000000, 0.0003519500000000, -0.0002838000000000 ] - [ 0.0001261100000000, -0.0001648200000000, 0.0008858000000000 ] - [ 0.0001163700000000, 0.0000796500000000, 0.0017715400000000 ] - [ -0.0001414300000000, -0.0000116700000000, 0.0011642600000000 ] - [ -0.0002176300000000, 0.0006426900000000, -0.0015198100000000 ] - [ -0.0011325700000000, -0.0011593600000000, 0.0016788300000000 ] - [ 0.0009029100000000, 0.0006343800000000, -0.0015261400000000 ] - [ -0.0010876600000000, 0.0018817100000000, 0.0029216600000000 ] - [ -0.0013379200000000, 0.0017444100000000, 0.0000828100000000 ] - [ -0.0025107900000000, 0.0018309600000000, 0.0067037000000000 ] - [ -0.0004833000000000, -0.0001605000000000, 0.0014972200000000 ] - [ -0.0020556800000000, -0.0014363600000000, 0.0015080600000000 ] - [ 0.0007234900000000, -0.0006678400000000, 0.0035484300000000 ]- atom: 50 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0000859600000000, 0.0003918300000000, -0.0000614400000000 ] - [ 0.0000549700000000, 0.0001864000000000, -0.0005607500000000 ] - [ -0.0005050200000000, -0.0002390000000000, 0.0004555500000000 ] - [ 0.0029148900000000, 0.0018275600000000, -0.0010256500000000 ] - [ 0.0003584200000000, -0.0016334600000000, -0.0019662700000000 ] - [ -0.0000013500000000, 0.0000843800000000, 0.0006206400000000 ] - [ -0.0003027800000000, -0.0004262900000000, 0.0021580900000000 ] - [ 0.0056425500000000, -0.0044430800000000, -0.0112879000000000 ] - [ 0.0003118500000000, 0.0002257800000000, 0.0003438300000000 ] - [ 0.0000488600000000, -0.0000780100000000, 0.0011319500000000 ] - [ -0.0003767900000000, 0.0028423200000000, 0.0006533400000000 ] - [ -0.0000357900000000, -0.0000217100000000, 0.0009502700000000 ] - [ -0.0001616700000000, -0.0001336300000000, 0.0000283200000000 ] - [ -0.0001708800000000, 0.0001334600000000, -0.0001795300000000 ] - [ 0.0004041700000000, 0.0000317100000000, 0.0006766300000000 ] - [ 0.0011964000000000, -0.0010717800000000, 0.0037414600000000 ] - [ 0.0000446200000000, -0.0000614900000000, 0.0011772000000000 ] - [ -0.0001553900000000, -0.0002872800000000, 0.0008805400000000 ] - [ -0.0001686900000000, 0.0000958400000000, -0.0027743400000000 ] - [ -0.0125899500000000, -0.0121544900000000, -0.0299116500000000 ] - [ 0.0000483300000000, 0.0000714500000000, -0.0036971800000000 ] - [ -0.0005066600000000, 0.0001956300000000, 0.0021688900000000 ] - [ 0.0006093400000000, -0.0005698100000000, 0.0021197300000000 ] - [ -0.0002478300000000, -0.0004080900000000, 0.0019346500000000 ] - [ -0.0000607200000000, -0.0000466200000000, 0.0024404200000000 ] - [ 0.0003312400000000, 0.0013578700000000, -0.0007952100000000 ] - [ 0.0010767800000000, 0.0011672800000000, -0.0024147300000000 ] - [ 0.0015162000000000, -0.0000163300000000, -0.0026301400000000 ] - [ 0.0038727400000000, -0.0090075000000000, -0.0026675600000000 ] - [ -0.0003848600000000, 0.0008004100000000, -0.0063128500000000 ] - [ 0.0009429500000000, 0.0003984000000000, 0.0026754400000000 ] - [ -0.0000655900000000, -0.0007601000000000, 0.0019584100000000 ] - [ -0.0045121100000000, 0.0023810500000000, 0.0078489600000000 ] - [ -0.0001405200000000, -0.0085016400000000, -0.0604847900000000 ] - [ -0.0044027000000000, 0.0081248200000000, 0.0010434500000000 ] - [ 0.0000602300000000, 0.0000028500000000, 0.0021953600000000 ] - [ 0.0001244200000000, 0.0002052800000000, 0.0026313900000000 ] - [ 0.0002678700000000, -0.0003984100000000, 0.0039028700000000 ] - [ -0.0000092000000000, -0.0001567800000000, 0.0008016900000000 ] - [ -0.0035539800000000, 0.0000691000000000, 0.0060854300000000 ] - [ 0.0003562800000000, 0.0001698700000000, -0.0010952700000000 ] - [ -0.0004619400000000, -0.0001209300000000, -0.0007464400000000 ] - [ 0.0001122700000000, 0.0004949200000000, -0.0008589700000000 ] - [ -0.0002885000000000, 0.0000130300000000, -0.0004234100000000 ] - [ -0.0031866900000000, 0.0000027400000000, 0.0050184800000000 ] - [ -0.0001117000000000, -0.0020791200000000, 0.0005970000000000 ] - [ -0.0000721700000000, 0.0023653900000000, -0.0009599600000000 ] - [ -0.0002152900000000, 0.0002786900000000, -0.0001571000000000 ] - [ 0.0005445500000000, -0.0002948000000000, 0.0014862000000000 ] - [ 0.0171631500000000, 0.0345773700000000, 0.1104494000000000 ] - [ -0.0001057200000000, 0.0004550400000000, -0.0010627800000000 ] - [ -0.0073165000000000, 0.0076708700000000, -0.0087331900000000 ] - [ -0.0007046900000000, -0.0004229000000000, 0.0020049800000000 ] - [ 0.0021913000000000, -0.0004843200000000, 0.0007434500000000 ] - [ -0.0002344800000000, 0.0003496000000000, -0.0012573100000000 ] - [ 0.0004232100000000, 0.0000545700000000, 0.0015369000000000 ] - [ -0.0005208300000000, -0.0000477500000000, -0.0014278600000000 ] - [ -0.0000482100000000, -0.0007662700000000, -0.0018806500000000 ] - [ 0.0016878200000000, -0.0026366200000000, 0.0022260100000000 ] - [ -0.0002991600000000, 0.0001718100000000, 0.0021330000000000 ] - [ 0.0021499700000000, 0.0008011800000000, 0.0118425800000000 ] - [ -0.0006693800000000, 0.0024903900000000, 0.0032992700000000 ] - [ 0.0004382200000000, -0.0002127700000000, -0.0007266400000000 ] - [ 0.0014633800000000, -0.0010658900000000, -0.0014354000000000 ] - [ 0.0003166900000000, -0.0002152800000000, -0.0011373700000000 ] - [ -0.0334289700000000, -0.0121782400000000, -0.0038233900000000 ] - [ 0.0238593800000000, 0.0074129700000000, -0.0077629400000000 ] - [ -0.0003092500000000, 0.0015045400000000, -0.0012463400000000 ] - [ 0.0003269500000000, -0.0003818500000000, -0.0021858400000000 ] - [ 0.0001919400000000, 0.0004547000000000, -0.0013789200000000 ] - [ 0.0003944400000000, 0.0001893000000000, -0.0009558100000000 ] - [ -0.0010148800000000, -0.0007863100000000, 0.0002854000000000 ] - [ -0.0007793500000000, -0.0009275100000000, -0.0014916200000000 ] - [ 0.0001501200000000, 0.0002225000000000, -0.0008253800000000 ] - [ -0.0003582100000000, 0.0000766000000000, -0.0011831100000000 ] - [ -0.0002780900000000, -0.0000817700000000, -0.0002311900000000 ] - [ -0.0020440400000000, 0.0010843500000000, 0.0013418700000000 ] - [ 0.0041105100000000, -0.0113762900000000, -0.0091484900000000 ] - [ -0.0010974200000000, -0.0022325100000000, 0.0030640800000000 ] - [ 0.0002037500000000, 0.0001830400000000, -0.0003003800000000 ] - [ -0.0004219000000000, -0.0007419200000000, 0.0014782200000000 ] - [ -0.0003524600000000, -0.0001000700000000, -0.0010025500000000 ] - [ 0.0000281600000000, -0.0002945500000000, -0.0000739500000000 ] - [ -0.0002816200000000, 0.0003538400000000, -0.0010828500000000 ] - [ -0.0000180000000000, 0.0003311700000000, 0.0011756300000000 ] - [ -0.0000051000000000, -0.0001029900000000, 0.0003151100000000 ] - [ -0.0003732900000000, -0.0001088900000000, -0.0013430400000000 ] - [ -0.0001127800000000, -0.0000792700000000, -0.0015292600000000 ] - [ 0.0001178600000000, -0.0002354300000000, -0.0011908500000000 ] - [ 0.0000024200000000, -0.0005162900000000, 0.0014763200000000 ] - [ 0.0010223500000000, 0.0008123000000000, -0.0012250300000000 ] - [ -0.0006687800000000, -0.0007405200000000, 0.0013867900000000 ] - [ 0.0010769500000000, -0.0018664700000000, -0.0031427200000000 ] - [ 0.0014707400000000, -0.0020982500000000, 0.0003583800000000 ] - [ 0.0022894300000000, -0.0017511800000000, -0.0066413000000000 ] - [ 0.0007376800000000, 0.0002705300000000, -0.0013699000000000 ] - [ 0.0023014700000000, 0.0013288500000000, -0.0014745400000000 ] - [ -0.0007399500000000, 0.0006489000000000, -0.0035618100000000 ]- atom: 60 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0002154700000000, -0.0008165600000000, -0.0001521900000000 ] - [ 0.0015299800000000, -0.0022707000000000, 0.0000305400000000 ] - [ -0.0002072400000000, -0.0001960900000000, -0.0000582500000000 ] - [ -0.0029469000000000, 0.0044100400000000, -0.0012352000000000 ] - [ -0.0005301700000000, 0.0000744800000000, -0.0000451400000000 ] - [ -0.0000087900000000, 0.0001796100000000, 0.0000189500000000 ] - [ -0.0003862100000000, -0.0000244300000000, 0.0001735200000000 ] - [ -0.0068263800000000, -0.0028519000000000, 0.0011624900000000 ] - [ 0.0008275600000000, -0.0000384400000000, 0.0000438200000000 ] - [ 0.0000159500000000, -0.0001572600000000, 0.0000577500000000 ] - [ -0.0007678900000000, -0.0001270400000000, -0.0000022600000000 ] - [ 0.0000754800000000, -0.0000572200000000, -0.0000745800000000 ] - [ 0.0028165000000000, -0.0000145600000000, 0.0001259800000000 ] - [ 0.0000206300000000, 0.0010868600000000, -0.0002114700000000 ] - [ 0.0000682500000000, 0.0003399100000000, -0.0000989500000000 ] - [ -0.0018896200000000, 0.0000049300000000, 0.0003690200000000 ] - [ -0.0000820600000000, 0.0000908100000000, -0.0000376400000000 ] - [ -0.0001852000000000, -0.0000176900000000, 0.0000016600000000 ] - [ -0.0031760000000000, -0.0017856500000000, -0.0022362100000000 ] - [ -0.0066367400000000, 0.0051584400000000, 0.0048538100000000 ] - [ 0.0016350700000000, 0.0046125100000000, -0.0025903900000000 ] - [ 0.0015245700000000, -0.0002709600000000, -0.0002879600000000 ] - [ -0.0008400200000000, -0.0006307000000000, 0.0015770200000000 ] - [ 0.0003011900000000, 0.0020594300000000, -0.0012762400000000 ] - [ 0.0009241100000000, -0.0001224400000000, 0.0001680200000000 ] - [ 0.0020231800000000, 0.0013174800000000, -0.0008107600000000 ] - [ 0.0005886400000000, 0.0033505700000000, 0.0004622300000000 ] - [ 0.0578414500000000, 0.0009912500000000, -0.0008633300000000 ] - [ 0.0015829700000000, -0.0026655400000000, 0.0011871300000000 ] - [ 0.0010313700000000, -0.0036797600000000, 0.0014755300000000 ] - [ -0.0002985000000000, 0.0020470700000000, 0.0024245700000000 ] - [ -0.0008764200000000, -0.0003496300000000, -0.0001631400000000 ] - [ -0.0014056400000000, -0.0000835100000000, -0.0008381700000000 ] - [ -0.0055766500000000, -0.0006406800000000, -0.0015019700000000 ] - [ -0.0005635500000000, 0.0007358200000000, -0.0001596700000000 ] - [ -0.0003226700000000, -0.0006197100000000, 0.0005234600000000 ] - [ 0.0001052700000000, 0.0007492300000000, 0.0007358900000000 ] - [ -0.0010043200000000, 0.0003535100000000, -0.0007765800000000 ] - [ 0.0025661000000000, -0.0020981600000000, 0.0003330600000000 ] - [ -0.0026624700000000, -0.0022956600000000, -0.0031965700000000 ] - [ -0.0000734000000000, 0.0006075800000000, -0.0004242500000000 ] - [ -0.0005173900000000, -0.0001044500000000, -0.0002567500000000 ] - [ -0.0005277400000000, 0.0001145300000000, 0.0003434400000000 ] - [ -0.0010639000000000, -0.0009256100000000, -0.0012795500000000 ] - [ 0.0121015400000000, -0.0015211200000000, -0.0351249700000000 ] - [ -0.0000026700000000, -0.0004764400000000, -0.0001279300000000 ] - [ -0.0003166000000000, 0.0004333300000000, -0.0002286200000000 ] - [ -0.0004415600000000, 0.0019492500000000, -0.0016721400000000 ] - [ -0.0003768900000000, -0.0004147800000000, 0.0000853200000000 ] - [ 0.0043482100000000, 0.0001415700000000, 0.0002902600000000 ] - [ 0.0000378500000000, 0.0004294500000000, -0.0004592200000000 ] - [ 0.0005312600000000, 0.0016522200000000, -0.0021447400000000 ] - [ -0.0055768500000000, -0.0127224300000000, 0.0197648600000000 ] - [ 0.0004362900000000, 0.0002077100000000, 0.0000256000000000 ] - [ 0.0008488200000000, 0.0003886700000000, -0.0002254900000000 ] - [ -0.0014305200000000, -0.0000572400000000, -0.0006590200000000 ] - [ 0.0008311200000000, -0.0005640200000000, -0.0014406400000000 ] - [ 0.0000290200000000, -0.0006659100000000, -0.0009924100000000 ] - [ 0.0004096000000000, 0.0025453200000000, -0.0010308500000000 ] - [ -0.0497853600000000, 0.0000070600000000, 0.0008949200000000 ] - [ 0.0017389600000000, -0.0002996900000000, 0.0001497400000000 ] - [ -0.0002137500000000, 0.0009637300000000, -0.0000846700000000 ] - [ -0.0004065000000000, 0.0000393200000000, 0.0004772800000000 ] - [ -0.0003167600000000, 0.0010612100000000, 0.0011618100000000 ] - [ 0.0000631700000000, -0.0002515700000000, -0.0004153800000000 ] - [ 0.0029866600000000, 0.0000244000000000, 0.0012521800000000 ] - [ 0.0009022800000000, 0.0001136900000000, 0.0000096400000000 ] - [ 0.0004901700000000, 0.0000007700000000, -0.0001030200000000 ] - [ 0.0003363600000000, -0.0000766100000000, 0.0000835200000000 ] - [ 0.0000517100000000, 0.0000300900000000, -0.0001631000000000 ] - [ 0.0004828800000000, -0.0003220100000000, -0.0002203000000000 ] - [ -0.0016428900000000, -0.0021429200000000, -0.0010791000000000 ] - [ 0.0005684000000000, -0.0011134100000000, -0.0006800300000000 ] - [ 0.0001453600000000, -0.0003120900000000, -0.0000298100000000 ] - [ -0.0001087800000000, 0.0000576000000000, -0.0001487200000000 ] - [ -0.0003799100000000, -0.0004421400000000, -0.0000413100000000 ] - [ -0.0025583400000000, 0.0007765900000000, 0.0008467900000000 ] - [ 0.0005085300000000, -0.0005611300000000, -0.0004720900000000 ] - [ 0.0001336000000000, -0.0024267300000000, -0.0001665100000000 ] - [ -0.0011375200000000, -0.0003493500000000, 0.0003209600000000 ] - [ 0.0010059500000000, -0.0022114600000000, -0.0000168300000000 ] - [ -0.0000329200000000, 0.0004092900000000, 0.0001014400000000 ] - [ -0.0001553500000000, 0.0010504500000000, -0.0002011300000000 ] - [ -0.0001384500000000, 0.0001067000000000, -0.0001262700000000 ] - [ -0.0067578100000000, 0.0082697900000000, 0.0161019700000000 ] - [ -0.0008185800000000, 0.0007047300000000, 0.0010930500000000 ] - [ 0.0002933100000000, -0.0003084800000000, 0.0001805800000000 ] - [ -0.0002969200000000, 0.0000317500000000, 0.0000999400000000 ] - [ 0.0006971500000000, -0.0001910000000000, -0.0001325600000000 ] - [ 0.0003003500000000, 0.0020505200000000, -0.0003158900000000 ] - [ 0.0015467600000000, -0.0005291100000000, 0.0036147000000000 ] - [ -0.0000981100000000, -0.0011042300000000, -0.0004211600000000 ] - [ 0.0001183400000000, -0.0001659300000000, -0.0001078200000000 ] - [ 0.0006069300000000, -0.0003941700000000, 0.0009110400000000 ] - [ 0.0016731200000000, 0.0007583000000000, 0.0010960800000000 ] - [ 0.0007987700000000, 0.0001077200000000, 0.0004804300000000 ] - [ 0.0010177800000000, -0.0001729300000000, 0.0010953400000000 ] - [ 0.0010658800000000, 0.0000459800000000, 0.0014036000000000 ]- atom: 60 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000559400000000, 0.0010182100000000, 0.0001601400000000 ] - [ -0.0014185500000000, 0.0025079800000000, -0.0000590700000000 ] - [ -0.0000405700000000, 0.0002393200000000, 0.0000675300000000 ] - [ 0.0031066700000000, -0.0045714000000000, 0.0011985300000000 ] - [ 0.0005408500000000, -0.0000691500000000, -0.0000390400000000 ] - [ -0.0000881700000000, 0.0000389100000000, -0.0000232900000000 ] - [ 0.0004895500000000, -0.0001898000000000, -0.0001538500000000 ] - [ 0.0066317500000000, 0.0028528600000000, -0.0012085200000000 ] - [ -0.0008298800000000, 0.0000510900000000, 0.0000454100000000 ] - [ -0.0001637900000000, -0.0000412200000000, -0.0000571400000000 ] - [ 0.0007677800000000, 0.0001322300000000, -0.0000025400000000 ] - [ 0.0001745500000000, 0.0000050000000000, 0.0000880400000000 ] - [ -0.0028204700000000, 0.0000069300000000, 0.0001218400000000 ] - [ 0.0002149400000000, -0.0010678600000000, 0.0002260800000000 ] - [ 0.0000708400000000, -0.0001371400000000, 0.0001153700000000 ] - [ 0.0017890800000000, -0.0002324500000000, -0.0003689500000000 ] - [ 0.0000815000000000, -0.0001032000000000, -0.0000346500000000 ] - [ 0.0001854600000000, 0.0000183400000000, 0.0000018500000000 ] - [ 0.0030688200000000, 0.0021104800000000, 0.0022608900000000 ] - [ 0.0064449200000000, -0.0054539700000000, -0.0048497600000000 ] - [ -0.0013027800000000, -0.0046638600000000, 0.0026131600000000 ] - [ -0.0018685700000000, 0.0002730000000000, 0.0002965700000000 ] - [ 0.0010131400000000, 0.0003265900000000, -0.0015677300000000 ] - [ -0.0001271400000000, -0.0017618600000000, 0.0012830200000000 ] - [ -0.0009340500000000, 0.0001318500000000, 0.0001707400000000 ] - [ -0.0022558400000000, -0.0012455100000000, 0.0005114200000000 ] - [ -0.0004262900000000, -0.0035127800000000, -0.0001664100000000 ] - [ -0.0578304900000000, -0.0010030200000000, -0.0008611000000000 ] - [ -0.0015592200000000, 0.0024836400000000, -0.0014972100000000 ] - [ -0.0009868500000000, 0.0038899100000000, -0.0011809200000000 ] - [ 0.0002518200000000, -0.0022246900000000, -0.0027141000000000 ] - [ 0.0008878700000000, 0.0003394800000000, -0.0001653700000000 ] - [ 0.0015751400000000, 0.0002218500000000, 0.0005303300000000 ] - [ 0.0054031400000000, 0.0005681400000000, 0.0017759400000000 ] - [ 0.0005722200000000, -0.0007464200000000, -0.0001615500000000 ] - [ 0.0001797500000000, 0.0004793000000000, -0.0002046300000000 ] - [ -0.0001391300000000, -0.0005702100000000, -0.0004131400000000 ] - [ 0.0012231700000000, -0.0004175700000000, 0.0010961700000000 ] - [ -0.0023907900000000, 0.0021501700000000, -0.0006422900000000 ] - [ 0.0024990300000000, 0.0024596900000000, 0.0029218100000000 ] - [ 0.0000466400000000, -0.0005487000000000, 0.0004182600000000 ] - [ 0.0004185000000000, -0.0000866100000000, 0.0006408900000000 ] - [ 0.0004053600000000, 0.0000766700000000, 0.0000263500000000 ] - [ 0.0014232000000000, 0.0010007400000000, 0.0017353000000000 ] - [ -0.0120925000000000, 0.0012987300000000, 0.0358844300000000 ] - [ 0.0001235200000000, 0.0002987600000000, -0.0002555800000000 ] - [ 0.0002949500000000, -0.0007167600000000, 0.0003569900000000 ] - [ 0.0002142000000000, -0.0016662500000000, 0.0021088000000000 ] - [ 0.0004087200000000, 0.0004627200000000, -0.0000836700000000 ] - [ -0.0043966200000000, -0.0003945900000000, -0.0003178300000000 ] - [ -0.0001585000000000, -0.0000850400000000, -0.0000011400000000 ] - [ -0.0007300200000000, -0.0018310200000000, 0.0021865000000000 ] - [ 0.0056213500000000, 0.0128556200000000, -0.0193611000000000 ] - [ -0.0003424100000000, -0.0000156100000000, -0.0004166900000000 ] - [ -0.0006331300000000, -0.0003952500000000, -0.0001594800000000 ] - [ 0.0010728200000000, -0.0000085800000000, 0.0002056600000000 ] - [ -0.0006118900000000, 0.0004128000000000, 0.0014605200000000 ] - [ 0.0000279300000000, 0.0006637600000000, 0.0009833500000000 ] - [ -0.0004380200000000, -0.0022847200000000, 0.0009153500000000 ] - [ 0.0500179600000000, 0.0000077000000000, 0.0009074800000000 ] - [ -0.0015251600000000, 0.0000348200000000, -0.0005861800000000 ] - [ 0.0001569200000000, -0.0009667000000000, 0.0000891500000000 ] - [ 0.0006235300000000, -0.0000349000000000, -0.0000988400000000 ] - [ 0.0000998300000000, -0.0012033100000000, -0.0011303300000000 ] - [ 0.0002997300000000, 0.0001807800000000, -0.0000477100000000 ] - [ -0.0032051900000000, -0.0001891900000000, -0.0013659700000000 ] - [ -0.0008846200000000, -0.0001674600000000, 0.0000033400000000 ] - [ -0.0004898400000000, 0.0000016800000000, -0.0001180300000000 ] - [ -0.0001309100000000, -0.0000587200000000, -0.0002126100000000 ] - [ -0.0000263000000000, 0.0002546100000000, 0.0000206900000000 ] - [ -0.0005902400000000, 0.0005131100000000, -0.0001618000000000 ] - [ 0.0018979700000000, 0.0024133300000000, 0.0015429600000000 ] - [ -0.0005343000000000, 0.0008293600000000, 0.0008069000000000 ] - [ 0.0000498400000000, 0.0004750100000000, 0.0000003700000000 ] - [ -0.0001449300000000, -0.0001678300000000, 0.0000125300000000 ] - [ 0.0001767300000000, 0.0005765200000000, 0.0001595200000000 ] - [ 0.0022092500000000, -0.0007140700000000, -0.0003976800000000 ] - [ -0.0007360100000000, 0.0005643900000000, 0.0000977600000000 ] - [ -0.0000231600000000, 0.0027762600000000, -0.0002933000000000 ] - [ 0.0011836200000000, 0.0006008700000000, -0.0002973900000000 ] - [ -0.0008019200000000, 0.0023599800000000, -0.0000082100000000 ] - [ -0.0002175400000000, -0.0003012100000000, -0.0001518000000000 ] - [ 0.0003882300000000, -0.0008835700000000, 0.0003363500000000 ] - [ 0.0000189800000000, -0.0002975800000000, -0.0002533800000000 ] - [ 0.0064030000000000, -0.0082466000000000, -0.0157776300000000 ] - [ 0.0008450900000000, -0.0004653300000000, -0.0010826100000000 ] - [ -0.0005291200000000, 0.0000421700000000, -0.0006411000000000 ] - [ 0.0002968600000000, -0.0000319700000000, 0.0001145300000000 ] - [ -0.0007125700000000, -0.0000578600000000, 0.0001001000000000 ] - [ -0.0005236600000000, -0.0019215000000000, 0.0002916700000000 ] - [ -0.0016577000000000, 0.0002002100000000, -0.0031844800000000 ] - [ 0.0003196100000000, 0.0009924600000000, 0.0003058300000000 ] - [ -0.0001179500000000, 0.0001664700000000, -0.0001251200000000 ] - [ -0.0004998800000000, 0.0000615000000000, -0.0004698200000000 ] - [ -0.0019040900000000, -0.0006518700000000, -0.0009835600000000 ] - [ -0.0005519400000000, 0.0000051200000000, -0.0003582000000000 ] - [ -0.0007832000000000, 0.0000650100000000, -0.0010688700000000 ] - [ -0.0010963800000000, -0.0000912700000000, -0.0014150700000000 ]- atom: 60 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0003582400000000, -0.0005015400000000, 0.0018688800000000 ] - [ 0.0004431400000000, 0.0002404100000000, 0.0065999400000000 ] - [ -0.0002393100000000, -0.0000338800000000, -0.0017476500000000 ] - [ -0.0000133700000000, -0.0005039700000000, 0.0065999400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0018721700000000 ] - [ -0.0001197700000000, 0.0004013200000000, -0.0019575300000000 ] - [ 0.0001490000000000, -0.0001903100000000, -0.0017476500000000 ] - [ -0.0004297700000000, 0.0002635700000000, 0.0065999400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0031660700000000 ] - [ -0.0002876700000000, -0.0003043800000000, -0.0019575300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0023508400000000 ] - [ 0.0004074400000000, -0.0000969300000000, -0.0019575300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0379766800000000 ] - [ -0.0002552200000000, 0.0005610100000000, 0.0018688800000000 ] - [ 0.0000903100000000, 0.0002241900000000, -0.0017476500000000 ] - [ 0.0006134600000000, -0.0000594800000000, 0.0018688800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015794000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0018185400000000 ] - [ -0.0100410200000000, -0.0047501800000000, -0.0050086300000000 ] - [ 0.0091342800000000, -0.0063206900000000, -0.0050086300000000 ] - [ 0.0009067400000000, 0.0110708700000000, -0.0050086300000000 ] - [ -0.0016354500000000, -0.0026934300000000, -0.0044010800000000 ] - [ 0.0031503000000000, -0.0000696300000000, -0.0044010800000000 ] - [ -0.0015148500000000, 0.0027630600000000, -0.0044010800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0062939900000000 ] - [ 0.0019381500000000, -0.0040739200000000, -0.0034751000000000 ] - [ -0.0019698100000000, -0.0006856500000000, 0.0047566500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.4175024300000000 ] - [ 0.0025590400000000, 0.0037154500000000, -0.0034751000000000 ] - [ 0.0015786900000000, -0.0013630800000000, 0.0047566500000000 ] - [ 0.0076851800000000, -0.0051032000000000, -0.0011974200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0037691800000000 ] - [ -0.0044972000000000, 0.0003584700000000, -0.0034751000000000 ] - [ 0.0003911100000000, 0.0020487300000000, 0.0047566500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0041166900000000 ] - [ -0.0002070600000000, 0.0002947000000000, -0.0048253600000000 ] - [ 0.0003587500000000, 0.0000319700000000, -0.0048253600000000 ] - [ -0.0001516900000000, -0.0003266700000000, -0.0048253600000000 ] - [ 0.0005769100000000, 0.0092071600000000, -0.0011974200000000 ] - [ -0.0082620900000000, -0.0041039600000000, -0.0011974200000000 ] - [ -0.0010212300000000, -0.0018147900000000, 0.0029866200000000 ] - [ 0.0006016000000000, 0.0001318900000000, 0.0027798300000000 ] - [ -0.0001865800000000, -0.0005869500000000, 0.0027798300000000 ] - [ -0.0027703400000000, 0.0051843900000000, 0.0050185000000000 ] - [ -0.0227815100000000, 0.0016135200000000, 0.0257376000000000 ] - [ -0.0001458500000000, -0.0009791900000000, 0.0009502400000000 ] - [ -0.0008806800000000, -0.0013518100000000, 0.0025509900000000 ] - [ -0.0031046400000000, -0.0049913800000000, 0.0050185000000000 ] - [ -0.0005342900000000, 0.0007661300000000, -0.0007363200000000 ] - [ -0.0030129400000000, -0.0009304900000000, -0.0020372800000000 ] - [ -0.0003466900000000, -0.0006116100000000, 0.0015930900000000 ] - [ -0.0016466400000000, -0.0018204700000000, 0.0030552200000000 ] - [ 0.0099934100000000, -0.0205361200000000, 0.0257376000000000 ] - [ 0.0009209300000000, 0.0003632900000000, 0.0009502400000000 ] - [ -0.0008194900000000, -0.0006801000000000, -0.0008540700000000 ] - [ -0.0017320100000000, -0.0012911200000000, -0.0018055800000000 ] - [ -0.0021550200000000, 0.0007743800000000, 0.0011410800000000 ] - [ -0.0010610400000000, 0.0017918100000000, 0.0029866200000000 ] - [ -0.0006233400000000, 0.0012715300000000, -0.0041802500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.5463328600000000 ] - [ 0.0019841500000000, -0.0008544000000000, -0.0018055800000000 ] - [ -0.0003963400000000, -0.0008457800000000, -0.0007363200000000 ] - [ -0.0004150200000000, 0.0004550600000000, 0.0027798300000000 ] - [ 0.0017481400000000, 0.0014791100000000, 0.0011410800000000 ] - [ -0.0003563300000000, 0.0006060500000000, 0.0015930900000000 ] - [ -0.0007895100000000, -0.0011755900000000, -0.0041802500000000 ] - [ 0.0009306300000000, 0.0000796500000000, -0.0007363200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0034755700000000 ] - [ -0.0000996800000000, 0.0006617000000000, 0.0026772300000000 ] - [ -0.0005232100000000, -0.0004171800000000, 0.0026772300000000 ] - [ 0.0009987300000000, -0.0003696400000000, -0.0008540700000000 ] - [ 0.0002184600000000, 0.0028171700000000, 0.0028880900000000 ] - [ -0.0018291400000000, 0.0014409400000000, -0.0020967400000000 ] - [ 0.0001017900000000, -0.0003014000000000, 0.0016357200000000 ] - [ 0.0006228900000000, -0.0002445200000000, 0.0026772300000000 ] - [ -0.0007303600000000, 0.0014386000000000, 0.0025509900000000 ] - [ -0.0025489700000000, -0.0012194000000000, 0.0028880900000000 ] - [ -0.0007750800000000, 0.0006159000000000, 0.0009502400000000 ] - [ -0.0002521400000000, 0.0021455300000000, -0.0018055800000000 ] - [ 0.0004068700000000, -0.0022534900000000, 0.0011410800000000 ] - [ 0.0023123000000000, -0.0021440400000000, -0.0020372800000000 ] - [ 0.0002101300000000, 0.0002388500000000, 0.0016357200000000 ] - [ -0.0003333200000000, -0.0023045600000000, -0.0020967400000000 ] - [ -0.0001792400000000, 0.0010497500000000, -0.0008540700000000 ] - [ 0.0127881000000000, 0.0189226100000000, 0.0257376000000000 ] - [ -0.0007532500000000, 0.0023362700000000, 0.0030552200000000 ] - [ 0.0007030100000000, 0.0000055700000000, 0.0015930900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0045805700000000 ] - [ -0.0003119200000000, 0.0000625500000000, 0.0016357200000000 ] - [ 0.0007006400000000, 0.0030745300000000, -0.0020372800000000 ] - [ 0.0058749800000000, -0.0001930100000000, 0.0050185000000000 ] - [ 0.0014128500000000, -0.0000959400000000, -0.0041802500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0029812500000000 ] - [ 0.0023305200000000, -0.0015977800000000, 0.0028880900000000 ] - [ 0.0021624600000000, 0.0008636200000000, -0.0020967400000000 ] - [ 0.0016110400000000, -0.0000867900000000, 0.0025509900000000 ] - [ 0.0023998900000000, -0.0005158000000000, 0.0030552200000000 ] - [ 0.0020822700000000, 0.0000229900000000, 0.0029866200000000 ]- atom: 60 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0002039600000000, 0.0006871600000000, -0.0018809400000000 ] - [ -0.0003400900000000, 0.0000598700000000, -0.0065666300000000 ] - [ -0.0000049300000000, 0.0000794300000000, 0.0017397400000000 ] - [ 0.0002218900000000, 0.0002645900000000, -0.0065666300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0019319400000000 ] - [ 0.0000393100000000, -0.0001714000000000, 0.0019694500000000 ] - [ -0.0000663200000000, -0.0000439800000000, 0.0017397400000000 ] - [ 0.0001182000000000, -0.0003244600000000, -0.0065666300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0032193400000000 ] - [ 0.0001287800000000, 0.0001197400000000, 0.0019694500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0023510700000000 ] - [ -0.0001680900000000, 0.0000516500000000, 0.0019694500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0406035500000000 ] - [ 0.0004931200000000, -0.0005202100000000, -0.0018809400000000 ] - [ 0.0000712500000000, -0.0000354400000000, 0.0017397400000000 ] - [ -0.0006970800000000, -0.0001669500000000, -0.0018809400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015109800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0018167400000000 ] - [ 0.0098455700000000, 0.0050457300000000, 0.0050143400000000 ] - [ -0.0092925200000000, 0.0060036500000000, 0.0050143400000000 ] - [ -0.0005530500000000, -0.0110493800000000, 0.0050143400000000 ] - [ 0.0013008000000000, 0.0027065200000000, 0.0044040000000000 ] - [ -0.0029943200000000, -0.0002267400000000, 0.0044040000000000 ] - [ 0.0016935200000000, -0.0024797900000000, 0.0044040000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0066242900000000 ] - [ -0.0021230300000000, 0.0041301800000000, 0.0031792400000000 ] - [ 0.0021097500000000, 0.0005544800000000, -0.0044254700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.3903147400000000 ] - [ -0.0025153300000000, -0.0039036800000000, 0.0031792400000000 ] - [ -0.0015350600000000, 0.0015498600000000, -0.0044254700000000 ] - [ -0.0077647700000000, 0.0049266300000000, 0.0008792500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0041054700000000 ] - [ 0.0046383500000000, -0.0002265000000000, 0.0031792400000000 ] - [ -0.0005746800000000, -0.0021043300000000, -0.0044254700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0037901600000000 ] - [ 0.0000573700000000, -0.0004325400000000, 0.0051205500000000 ] - [ -0.0004032800000000, 0.0001665900000000, 0.0051205500000000 ] - [ 0.0003459100000000, 0.0002659600000000, 0.0051205500000000 ] - [ -0.0003842000000000, -0.0091878100000000, 0.0008792500000000 ] - [ 0.0081489800000000, 0.0042611700000000, 0.0008792500000000 ] - [ 0.0009950600000000, 0.0018664900000000, -0.0029877900000000 ] - [ -0.0007171900000000, -0.0003371600000000, -0.0024127600000000 ] - [ 0.0000666100000000, 0.0007896800000000, -0.0024127600000000 ] - [ 0.0031590800000000, -0.0051431400000000, -0.0045802400000000 ] - [ 0.0225582800000000, -0.0018245300000000, -0.0250338200000000 ] - [ 0.0002668700000000, 0.0007834100000000, -0.0013287900000000 ] - [ 0.0008585300000000, 0.0010795900000000, -0.0024250500000000 ] - [ 0.0028745500000000, 0.0053074100000000, -0.0045802400000000 ] - [ 0.0005576200000000, -0.0007127000000000, 0.0007242500000000 ] - [ 0.0029696800000000, 0.0006592500000000, 0.0019776800000000 ] - [ 0.0002347100000000, 0.0009790700000000, -0.0020649200000000 ] - [ 0.0014263300000000, 0.0016538300000000, -0.0030036600000000 ] - [ -0.0096990500000000, 0.0204483000000000, -0.0250338200000000 ] - [ -0.0008118900000000, -0.0001605900000000, -0.0013287900000000 ] - [ 0.0010596600000000, 0.0006823000000000, 0.0004895200000000 ] - [ 0.0013628600000000, 0.0012091500000000, 0.0013276000000000 ] - [ 0.0023812900000000, -0.0009466900000000, -0.0010918600000000 ] - [ 0.0011189000000000, -0.0017950000000000, -0.0029877900000000 ] - [ 0.0006089200000000, -0.0009837300000000, 0.0040351600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.5214862100000000 ] - [ -0.0017285900000000, 0.0005757000000000, 0.0013276000000000 ] - [ 0.0003384100000000, 0.0008392600000000, 0.0007242500000000 ] - [ 0.0006505800000000, -0.0004525200000000, -0.0024127600000000 ] - [ -0.0020105000000000, -0.0015889100000000, -0.0010918600000000 ] - [ 0.0007305400000000, -0.0006928000000000, -0.0020649200000000 ] - [ 0.0005474800000000, 0.0010192000000000, 0.0040351600000000 ] - [ -0.0008960300000000, -0.0001265600000000, 0.0007242500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0032383700000000 ] - [ 0.0003198200000000, -0.0008110400000000, -0.0028005600000000 ] - [ 0.0005424800000000, 0.0006824900000000, -0.0028005600000000 ] - [ -0.0011207200000000, 0.0005765400000000, 0.0004895200000000 ] - [ 0.0000349700000000, -0.0025391000000000, -0.0024222500000000 ] - [ 0.0018511100000000, -0.0017099300000000, 0.0022381700000000 ] - [ 0.0001108200000000, 0.0004675600000000, -0.0016831900000000 ] - [ -0.0008622900000000, 0.0001285500000000, -0.0028005600000000 ] - [ 0.0005056900000000, -0.0012833000000000, -0.0024250500000000 ] - [ 0.0021814500000000, 0.0012998300000000, -0.0024222500000000 ] - [ 0.0005450200000000, -0.0006228200000000, -0.0013287900000000 ] - [ 0.0003657300000000, -0.0017848500000000, 0.0013276000000000 ] - [ -0.0003707800000000, 0.0025356000000000, -0.0010918600000000 ] - [ -0.0020557700000000, 0.0022422000000000, 0.0019776800000000 ] - [ -0.0004603300000000, -0.0001378100000000, -0.0016831900000000 ] - [ 0.0005552900000000, 0.0024580700000000, 0.0022381700000000 ] - [ 0.0000610600000000, -0.0012588400000000, 0.0004895200000000 ] - [ -0.0128592300000000, -0.0186237800000000, -0.0250338200000000 ] - [ 0.0007190900000000, -0.0020621500000000, -0.0030036600000000 ] - [ -0.0009652600000000, -0.0002862700000000, -0.0020649200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0043397100000000 ] - [ 0.0003495100000000, -0.0003297500000000, -0.0016831900000000 ] - [ -0.0009139100000000, -0.0029014500000000, 0.0019776800000000 ] - [ -0.0060336300000000, -0.0001642700000000, -0.0045802400000000 ] - [ -0.0011563900000000, -0.0000354700000000, 0.0040351600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0032127300000000 ] - [ -0.0022164100000000, 0.0012392700000000, -0.0024222500000000 ] - [ -0.0024063900000000, -0.0007481400000000, 0.0022381700000000 ] - [ -0.0013642200000000, 0.0002037100000000, -0.0024250500000000 ] - [ -0.0021454200000000, 0.0004083200000000, -0.0030036600000000 ] - [ -0.0021139600000000, -0.0000714900000000, -0.0029877900000000 ]