# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/c053732e-dda6-4c84-86ff-2edca0b5ab78/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 Nd4Cu2O7 / C2/m (12) / materials id 556595](https://mdr.nims.go.jp/datasets/8b1cc5ee-ad24-4f42-9af5-7fa6cc539e67) ## Fulltext phonopy: version: 2.17.1 frequency_unit_conversion_factor: 15.633302 symmetry_tolerance: 1.00000e-05 nac_unit_conversion_factor: 14.399652 configuration: save_params: ".true."physical_unit: atomic_mass: "AMU" length: "angstrom" force_constants: "eV/angstrom^2"space_group: type: "C2/m" number: 12 Hall_symbol: "-C 2y"primitive_matrix:- [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ]- [ -0.500000000000000, 0.500000000000000, 0.000000000000000 ]- [ 0.000000000000000, 0.000000000000000, 1.000000000000000 ]supercell_matrix:- [ 1, 0, 0 ]- [ 0, 3, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 6.319585390000000, -1.873145805000000, -0.007186430000000 ] # a - [ 6.319585390000000, 1.873145805000000, -0.007186430000000 ] # b - [ -2.807743950000000, 0.000000000000000, 7.922711890000000 ] # c points: - symbol: Nd # 1 coordinates: [ 0.657926040000000, 0.657926040000000, 0.318347640000000 ] mass: 144.242000 - symbol: Nd # 2 coordinates: [ 0.342073960000000, 0.342073960000000, 0.681652360000000 ] mass: 144.242000 - symbol: Nd # 3 coordinates: [ 0.357704630000000, 0.357704630000000, 0.166861910000000 ] mass: 144.242000 - symbol: Nd # 4 coordinates: [ 0.642295370000000, 0.642295370000000, 0.833138090000000 ] mass: 144.242000 - symbol: Cu # 5 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 63.546000 - symbol: Cu # 6 coordinates: [ 0.000000000000000, 0.000000000000000, 0.500000000000000 ] mass: 63.546000 - symbol: O # 7 coordinates: [ 0.990290530000000, 0.990290530000000, 0.709671180000000 ] mass: 15.999400 - symbol: O # 8 coordinates: [ 0.724754460000000, 0.724754460000000, 0.615235550000000 ] mass: 15.999400 - symbol: O # 9 coordinates: [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ] mass: 15.999400 - symbol: O # 10 coordinates: [ 0.253126660000000, 0.253126660000000, 0.880494070000000 ] mass: 15.999400 - symbol: O # 11 coordinates: [ 0.275245540000000, 0.275245540000000, 0.384764450000000 ] mass: 15.999400 - symbol: O # 12 coordinates: [ 0.746873340000000, 0.746873340000000, 0.119505930000000 ] mass: 15.999400 - symbol: O # 13 coordinates: [ 0.009709470000000, 0.009709470000000, 0.290328820000000 ] mass: 15.999400 reciprocal_lattice: # without 2pi - [ 0.079151012583294, -0.266930635439776, 0.028050468047137 ] # a* - [ 0.079151012583294, 0.266930635439776, 0.028050468047137 ] # b* - [ 0.000143590532953, 0.000000000000000, 0.126270294734923 ] # c*unit_cell: lattice: - [ 12.639170780000001, 0.000000000000000, -0.014372860000000 ] # a - [ 0.000000000000000, 3.746291610000000, 0.000000000000000 ] # b - [ -2.807743950000000, 0.000000000000000, 7.922711890000000 ] # c points: - symbol: Nd # 1 coordinates: [ 0.657926040000000, 0.000000000000000, 0.318347640000000 ] mass: 144.242000 reduced_to: 1 - symbol: Nd # 2 coordinates: [ 0.842073960000000, 0.500000000000000, 0.681652360000000 ] mass: 144.242000 reduced_to: 2 - symbol: Nd # 3 coordinates: [ 0.857704630000000, 0.500000000000000, 0.166861910000000 ] mass: 144.242000 reduced_to: 3 - symbol: Nd # 4 coordinates: [ 0.642295370000000, 0.000000000000000, 0.833138090000000 ] mass: 144.242000 reduced_to: 4 - symbol: Nd # 5 coordinates: [ 0.157926040000000, 0.500000000000000, 0.318347640000000 ] mass: 144.242000 reduced_to: 1 - symbol: Nd # 6 coordinates: [ 0.342073960000000, 0.000000000000000, 0.681652360000000 ] mass: 144.242000 reduced_to: 2 - symbol: Nd # 7 coordinates: [ 0.357704630000000, 0.000000000000000, 0.166861910000000 ] mass: 144.242000 reduced_to: 3 - symbol: Nd # 8 coordinates: [ 0.142295370000000, 0.500000000000000, 0.833138090000000 ] mass: 144.242000 reduced_to: 4 - symbol: Cu # 9 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 63.546000 reduced_to: 9 - symbol: Cu # 10 coordinates: [ 0.500000000000000, 0.500000000000000, 0.500000000000000 ] mass: 63.546000 reduced_to: 10 - symbol: Cu # 11 coordinates: [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ] mass: 63.546000 reduced_to: 9 - symbol: Cu # 12 coordinates: [ 0.000000000000000, 0.000000000000000, 0.500000000000000 ] mass: 63.546000 reduced_to: 10 - symbol: O # 13 coordinates: [ 0.990290530000000, 0.000000000000000, 0.709671180000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 14 coordinates: [ 0.724754460000000, 0.000000000000000, 0.615235550000000 ] mass: 15.999400 reduced_to: 14 - symbol: O # 15 coordinates: [ 0.000000000000000, 0.500000000000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 15 - symbol: O # 16 coordinates: [ 0.753126660000000, 0.500000000000000, 0.880494070000000 ] mass: 15.999400 reduced_to: 16 - symbol: O # 17 coordinates: [ 0.775245540000000, 0.500000000000000, 0.384764450000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 18 coordinates: [ 0.746873340000000, 0.000000000000000, 0.119505930000000 ] mass: 15.999400 reduced_to: 18 - symbol: O # 19 coordinates: [ 0.509709470000000, 0.500000000000000, 0.290328820000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 20 coordinates: [ 0.490290530000000, 0.500000000000000, 0.709671180000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 21 coordinates: [ 0.224754460000000, 0.500000000000000, 0.615235550000000 ] mass: 15.999400 reduced_to: 14 - symbol: O # 22 coordinates: [ 0.500000000000000, 0.000000000000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 15 - symbol: O # 23 coordinates: [ 0.253126660000000, 0.000000000000000, 0.880494070000000 ] mass: 15.999400 reduced_to: 16 - symbol: O # 24 coordinates: [ 0.275245540000000, 0.000000000000000, 0.384764450000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 25 coordinates: [ 0.246873340000000, 0.500000000000000, 0.119505930000000 ] mass: 15.999400 reduced_to: 18 - symbol: O # 26 coordinates: [ 0.009709470000000, 0.000000000000000, 0.290328820000000 ] mass: 15.999400 reduced_to: 19supercell: lattice: - [ 12.639170780000001, 0.000000000000000, -0.014372860000000 ] # a - [ 0.000000000000000, 11.238874830000000, 0.000000000000000 ] # b - [ -2.807743950000000, 0.000000000000000, 7.922711890000000 ] # c points: - symbol: Nd # 1 coordinates: [ 0.657926040000000, 0.000000000000000, 0.318347640000000 ] mass: 144.242000 reduced_to: 1 - symbol: Nd # 2 coordinates: [ 0.657926040000000, 0.333333333333333, 0.318347640000000 ] mass: 144.242000 reduced_to: 1 - symbol: Nd # 3 coordinates: [ 0.657926040000000, 0.666666666666667, 0.318347640000000 ] mass: 144.242000 reduced_to: 1 - symbol: Nd # 4 coordinates: [ 0.842073960000000, 0.166666666666667, 0.681652360000000 ] mass: 144.242000 reduced_to: 4 - symbol: Nd # 5 coordinates: [ 0.842073960000000, 0.500000000000000, 0.681652360000000 ] mass: 144.242000 reduced_to: 4 - symbol: Nd # 6 coordinates: [ 0.842073960000000, 0.833333333333333, 0.681652360000000 ] mass: 144.242000 reduced_to: 4 - symbol: Nd # 7 coordinates: [ 0.857704630000000, 0.166666666666667, 0.166861910000000 ] mass: 144.242000 reduced_to: 7 - symbol: Nd # 8 coordinates: [ 0.857704630000000, 0.500000000000000, 0.166861910000000 ] mass: 144.242000 reduced_to: 7 - symbol: Nd # 9 coordinates: [ 0.857704630000000, 0.833333333333333, 0.166861910000000 ] mass: 144.242000 reduced_to: 7 - symbol: Nd # 10 coordinates: [ 0.642295370000000, 0.000000000000000, 0.833138090000000 ] mass: 144.242000 reduced_to: 10 - symbol: Nd # 11 coordinates: [ 0.642295370000000, 0.333333333333333, 0.833138090000000 ] mass: 144.242000 reduced_to: 10 - symbol: Nd # 12 coordinates: [ 0.642295370000000, 0.666666666666667, 0.833138090000000 ] mass: 144.242000 reduced_to: 10 - symbol: Nd # 13 coordinates: [ 0.157926040000000, 0.166666666666667, 0.318347640000000 ] mass: 144.242000 reduced_to: 1 - symbol: Nd # 14 coordinates: [ 0.157926040000000, 0.500000000000000, 0.318347640000000 ] mass: 144.242000 reduced_to: 1 - symbol: Nd # 15 coordinates: [ 0.157926040000000, 0.833333333333333, 0.318347640000000 ] mass: 144.242000 reduced_to: 1 - symbol: Nd # 16 coordinates: [ 0.342073960000000, 0.000000000000000, 0.681652360000000 ] mass: 144.242000 reduced_to: 4 - symbol: Nd # 17 coordinates: [ 0.342073960000000, 0.333333333333333, 0.681652360000000 ] mass: 144.242000 reduced_to: 4 - symbol: Nd # 18 coordinates: [ 0.342073960000000, 0.666666666666667, 0.681652360000000 ] mass: 144.242000 reduced_to: 4 - symbol: Nd # 19 coordinates: [ 0.357704630000000, 0.000000000000000, 0.166861910000000 ] mass: 144.242000 reduced_to: 7 - symbol: Nd # 20 coordinates: [ 0.357704630000000, 0.333333333333333, 0.166861910000000 ] mass: 144.242000 reduced_to: 7 - symbol: Nd # 21 coordinates: [ 0.357704630000000, 0.666666666666667, 0.166861910000000 ] mass: 144.242000 reduced_to: 7 - symbol: Nd # 22 coordinates: [ 0.142295370000000, 0.166666666666667, 0.833138090000000 ] mass: 144.242000 reduced_to: 10 - symbol: Nd # 23 coordinates: [ 0.142295370000000, 0.500000000000000, 0.833138090000000 ] mass: 144.242000 reduced_to: 10 - symbol: Nd # 24 coordinates: [ 0.142295370000000, 0.833333333333333, 0.833138090000000 ] mass: 144.242000 reduced_to: 10 - symbol: Cu # 25 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 63.546000 reduced_to: 25 - symbol: Cu # 26 coordinates: [ 0.000000000000000, 0.333333333333333, 0.000000000000000 ] mass: 63.546000 reduced_to: 25 - symbol: Cu # 27 coordinates: [ 0.000000000000000, 0.666666666666667, 0.000000000000000 ] mass: 63.546000 reduced_to: 25 - symbol: Cu # 28 coordinates: [ 0.500000000000000, 0.166666666666667, 0.500000000000000 ] mass: 63.546000 reduced_to: 28 - symbol: Cu # 29 coordinates: [ 0.500000000000000, 0.500000000000000, 0.500000000000000 ] mass: 63.546000 reduced_to: 28 - symbol: Cu # 30 coordinates: [ 0.500000000000000, 0.833333333333333, 0.500000000000000 ] mass: 63.546000 reduced_to: 28 - symbol: Cu # 31 coordinates: [ 0.500000000000000, 0.166666666666667, 0.000000000000000 ] mass: 63.546000 reduced_to: 25 - symbol: Cu # 32 coordinates: [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ] mass: 63.546000 reduced_to: 25 - symbol: Cu # 33 coordinates: [ 0.500000000000000, 0.833333333333333, 0.000000000000000 ] mass: 63.546000 reduced_to: 25 - symbol: Cu # 34 coordinates: [ 0.000000000000000, 0.000000000000000, 0.500000000000000 ] mass: 63.546000 reduced_to: 28 - symbol: Cu # 35 coordinates: [ 0.000000000000000, 0.333333333333333, 0.500000000000000 ] mass: 63.546000 reduced_to: 28 - symbol: Cu # 36 coordinates: [ 0.000000000000000, 0.666666666666667, 0.500000000000000 ] mass: 63.546000 reduced_to: 28 - symbol: O # 37 coordinates: [ 0.990290530000000, 0.000000000000000, 0.709671180000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 38 coordinates: [ 0.990290530000000, 0.333333333333333, 0.709671180000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 39 coordinates: [ 0.990290530000000, 0.666666666666667, 0.709671180000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 40 coordinates: [ 0.724754460000000, 0.000000000000000, 0.615235550000000 ] mass: 15.999400 reduced_to: 40 - symbol: O # 41 coordinates: [ 0.724754460000000, 0.333333333333333, 0.615235550000000 ] mass: 15.999400 reduced_to: 40 - symbol: O # 42 coordinates: [ 0.724754460000000, 0.666666666666667, 0.615235550000000 ] mass: 15.999400 reduced_to: 40 - symbol: O # 43 coordinates: [ 0.000000000000000, 0.166666666666667, 0.000000000000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 44 coordinates: [ 0.000000000000000, 0.500000000000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 45 coordinates: [ 0.000000000000000, 0.833333333333333, 0.000000000000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 46 coordinates: [ 0.753126660000000, 0.166666666666667, 0.880494070000000 ] mass: 15.999400 reduced_to: 46 - symbol: O # 47 coordinates: [ 0.753126660000000, 0.500000000000000, 0.880494070000000 ] mass: 15.999400 reduced_to: 46 - symbol: O # 48 coordinates: [ 0.753126660000000, 0.833333333333333, 0.880494070000000 ] mass: 15.999400 reduced_to: 46 - symbol: O # 49 coordinates: [ 0.775245540000000, 0.166666666666667, 0.384764450000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 50 coordinates: [ 0.775245540000000, 0.500000000000000, 0.384764450000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 51 coordinates: [ 0.775245540000000, 0.833333333333333, 0.384764450000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 52 coordinates: [ 0.746873340000000, 0.000000000000000, 0.119505930000000 ] mass: 15.999400 reduced_to: 52 - symbol: O # 53 coordinates: [ 0.746873340000000, 0.333333333333333, 0.119505930000000 ] mass: 15.999400 reduced_to: 52 - symbol: O # 54 coordinates: [ 0.746873340000000, 0.666666666666667, 0.119505930000000 ] mass: 15.999400 reduced_to: 52 - symbol: O # 55 coordinates: [ 0.509709470000000, 0.166666666666667, 0.290328820000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 56 coordinates: [ 0.509709470000000, 0.500000000000000, 0.290328820000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 57 coordinates: [ 0.509709470000000, 0.833333333333333, 0.290328820000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 58 coordinates: [ 0.490290530000000, 0.166666666666667, 0.709671180000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 59 coordinates: [ 0.490290530000000, 0.500000000000000, 0.709671180000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 60 coordinates: [ 0.490290530000000, 0.833333333333333, 0.709671180000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 61 coordinates: [ 0.224754460000000, 0.166666666666667, 0.615235550000000 ] mass: 15.999400 reduced_to: 40 - symbol: O # 62 coordinates: [ 0.224754460000000, 0.500000000000000, 0.615235550000000 ] mass: 15.999400 reduced_to: 40 - symbol: O # 63 coordinates: [ 0.224754460000000, 0.833333333333333, 0.615235550000000 ] mass: 15.999400 reduced_to: 40 - symbol: O # 64 coordinates: [ 0.500000000000000, 0.000000000000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 65 coordinates: [ 0.500000000000000, 0.333333333333333, 0.000000000000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 66 coordinates: [ 0.500000000000000, 0.666666666666667, 0.000000000000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 67 coordinates: [ 0.253126660000000, 0.000000000000000, 0.880494070000000 ] mass: 15.999400 reduced_to: 46 - symbol: O # 68 coordinates: [ 0.253126660000000, 0.333333333333333, 0.880494070000000 ] mass: 15.999400 reduced_to: 46 - symbol: O # 69 coordinates: [ 0.253126660000000, 0.666666666666667, 0.880494070000000 ] mass: 15.999400 reduced_to: 46 - symbol: O # 70 coordinates: [ 0.275245540000000, 0.000000000000000, 0.384764450000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 71 coordinates: [ 0.275245540000000, 0.333333333333333, 0.384764450000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 72 coordinates: [ 0.275245540000000, 0.666666666666667, 0.384764450000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 73 coordinates: [ 0.246873340000000, 0.166666666666667, 0.119505930000000 ] mass: 15.999400 reduced_to: 52 - symbol: O # 74 coordinates: [ 0.246873340000000, 0.500000000000000, 0.119505930000000 ] mass: 15.999400 reduced_to: 52 - symbol: O # 75 coordinates: [ 0.246873340000000, 0.833333333333333, 0.119505930000000 ] mass: 15.999400 reduced_to: 52 - symbol: O # 76 coordinates: [ 0.009709470000000, 0.000000000000000, 0.290328820000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 77 coordinates: [ 0.009709470000000, 0.333333333333333, 0.290328820000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 78 coordinates: [ 0.009709470000000, 0.666666666666667, 0.290328820000000 ] mass: 15.999400 reduced_to: 55born_effective_charge:- # 1 (Nd) - [ 3.821861290000000, 0.000000000000000, -0.058244150000000 ] - [ -0.000000000000000, 4.172153730000000, -0.000000000000000 ] - [ -0.057398390000000, -0.000000000000000, 4.195661410000000 ]- # 2 (Nd) - [ 3.821861290000000, 0.000000000000000, -0.058244150000000 ] - [ -0.000000000000000, 4.172153730000000, -0.000000000000000 ] - [ -0.057398390000000, -0.000000000000000, 4.195661410000000 ]- # 3 (Nd) - [ 4.036932160000000, 0.000000000000000, -0.166430890000000 ] - [ -0.000000000000000, 4.299740480000000, -0.000000000000000 ] - [ -0.177565710000000, 0.000000000000000, 4.024337160000000 ]- # 4 (Nd) - [ 4.036932160000000, 0.000000000000000, -0.166430890000000 ] - [ -0.000000000000000, 4.299740480000000, -0.000000000000000 ] - [ -0.177565710000000, 0.000000000000000, 4.024337160000000 ]- # 5 (Cu) - [ -0.152587860000000, 0.000000000000000, -0.405777470000000 ] - [ -0.000000000000000, 1.371108650000000, -0.000000000000000 ] - [ -0.379023720000000, 0.000000000000000, 1.042260000000000 ]- # 6 (Cu) - [ 0.417330470000000, 0.000000000000000, -0.412283240000000 ] - [ 0.000000000000000, -0.367265380000000, -0.000000000000000 ] - [ -0.469854310000000, -0.000000000000000, 0.973338100000000 ]- # 7 (O) - [ -2.104905810000000, -0.000000000000000, 0.211774530000000 ] - [ 0.000000000000000, -2.263581000000000, 0.000000000000000 ] - [ 0.247402990000000, 0.000000000000000, -2.501115600000000 ]- # 8 (O) - [ -2.481927940000000, -0.000000000000000, 0.172001010000000 ] - [ 0.000000000000000, -2.831334210000000, 0.000000000000000 ] - [ 0.135013250000000, 0.000000000000000, -2.919298160000000 ]- # 9 (O) - [ -1.715547740000000, -0.000000000000000, 0.292149610000000 ] - [ 0.000000000000000, -2.246194460000000, 0.000000000000000 ] - [ 0.266511590000000, -0.000000000000000, -2.109812160000000 ]- # 10 (O) - [ -2.546557150000000, -0.000000000000000, 0.103855040000000 ] - [ 0.000000000000000, -2.755803400000000, 0.000000000000000 ] - [ 0.143731090000000, -0.000000000000000, -2.752477780000000 ]- # 11 (O) - [ -2.481927940000000, -0.000000000000000, 0.172001010000000 ] - [ 0.000000000000000, -2.831334210000000, 0.000000000000000 ] - [ 0.135013250000000, 0.000000000000000, -2.919298160000000 ]- # 12 (O) - [ -2.546557150000000, -0.000000000000000, 0.103855040000000 ] - [ 0.000000000000000, -2.755803400000000, 0.000000000000000 ] - [ 0.143731090000000, -0.000000000000000, -2.752477780000000 ]- # 13 (O) - [ -2.104905810000000, -0.000000000000000, 0.211774530000000 ] - [ 0.000000000000000, -2.263581000000000, 0.000000000000000 ] - [ 0.247402990000000, 0.000000000000000, -2.501115600000000 ]dielectric_constant: - [ 5.147352080000000, 0.000000000000000, -0.237558440000000 ] - [ 0.000000000000000, 5.719588220000000, 0.000000000000000 ] - [ -0.237553360000000, 0.000000000000000, 5.716107320000000 ]displacements:- atom: 1 displacement: [ 0.0099999935342515, 0.0000000000000000, -0.0000113716722062 ] forces: - [ -0.1432808800000000, 0.0000000000000000, 0.0057322100000000 ] - [ -0.0130408300000000, 0.0025749700000000, -0.0018779700000000 ] - [ -0.0130408300000000, -0.0025749700000000, -0.0018779700000000 ] - [ -0.0020617200000000, 0.0031395400000000, 0.0112614400000000 ] - [ -0.0002014500000000, 0.0000000000000000, 0.0001929500000000 ] - [ -0.0020617200000000, -0.0031395400000000, 0.0112614400000000 ] - [ 0.0170990500000000, 0.0149688300000000, -0.0076515600000000 ] - [ 0.0009774900000000, 0.0000000000000000, -0.0001383800000000 ] - [ 0.0170990500000000, -0.0149688300000000, -0.0076515600000000 ] - [ -0.0073632100000000, 0.0000000000000000, -0.0143387800000000 ] - [ -0.0051819200000000, 0.0000211800000000, -0.0029831500000000 ] - [ -0.0051819200000000, -0.0000211800000000, -0.0029831500000000 ] - [ 0.0052852800000000, 0.0005764400000000, 0.0009383100000000 ] - [ 0.0031685000000000, 0.0000000000000000, 0.0007045300000000 ] - [ 0.0052852800000000, -0.0005764400000000, 0.0009383100000000 ] - [ 0.0036598400000000, 0.0000000000000000, 0.0009664300000000 ] - [ 0.0025351500000000, -0.0014081200000000, -0.0003398800000000 ] - [ 0.0025351500000000, 0.0014081200000000, -0.0003398800000000 ] - [ 0.0260718600000000, 0.0000000000000000, 0.0125684200000000 ] - [ 0.0034994500000000, -0.0045524200000000, 0.0031266600000000 ] - [ 0.0034994500000000, 0.0045524200000000, 0.0031266600000000 ] - [ 0.0035911700000000, 0.0004652000000000, 0.0021554700000000 ] - [ 0.0022040800000000, 0.0000000000000000, 0.0012558500000000 ] - [ 0.0035911700000000, -0.0004652000000000, 0.0021554700000000 ] - [ -0.0002667800000000, 0.0000000000000000, -0.0002748700000000 ] - [ -0.0001941400000000, 0.0003408400000000, -0.0001452700000000 ] - [ -0.0001941400000000, -0.0003408400000000, -0.0001452700000000 ] - [ 0.0035093300000000, -0.0003722500000000, -0.0053082000000000 ] - [ -0.0000336100000000, 0.0000000000000000, 0.0001040100000000 ] - [ 0.0035093300000000, 0.0003722500000000, -0.0053082000000000 ] - [ -0.0007399600000000, -0.0031083800000000, 0.0044009900000000 ] - [ 0.0002671200000000, 0.0000000000000000, -0.0000724100000000 ] - [ -0.0007399600000000, 0.0031083800000000, 0.0044009900000000 ] - [ 0.0006072900000000, 0.0000000000000000, 0.0003119600000000 ] - [ 0.0002529100000000, -0.0000405000000000, 0.0001159400000000 ] - [ 0.0002529100000000, 0.0000405000000000, 0.0001159400000000 ] - [ -0.0008825900000000, 0.0000000000000000, -0.0024805200000000 ] - [ -0.0005648700000000, -0.0004771900000000, -0.0009850900000000 ] - [ -0.0005648700000000, 0.0004771900000000, -0.0009850900000000 ] - [ 0.0145560300000000, 0.0000000000000000, 0.0078767000000000 ] - [ 0.0035239900000000, -0.0016001700000000, -0.0003635500000000 ] - [ 0.0035239900000000, 0.0016001700000000, -0.0003635500000000 ] - [ -0.0021274300000000, -0.0007119000000000, -0.0000402400000000 ] - [ -0.0005573400000000, 0.0000000000000000, -0.0000401600000000 ] - [ -0.0021274300000000, 0.0007119000000000, -0.0000402400000000 ] - [ 0.0017856200000000, -0.0020266200000000, 0.0037424300000000 ] - [ 0.0011070600000000, 0.0000000000000000, 0.0007720400000000 ] - [ 0.0017856200000000, 0.0020266200000000, 0.0037424300000000 ] - [ 0.0216949200000000, 0.0107355600000000, 0.0019556900000000 ] - [ 0.0007868700000000, 0.0000000000000000, -0.0000106400000000 ] - [ 0.0216949200000000, -0.0107355600000000, 0.0019556900000000 ] - [ 0.0375233000000000, 0.0000000000000000, -0.0185655300000000 ] - [ 0.0018179600000000, -0.0034305500000000, 0.0021427000000000 ] - [ 0.0018179600000000, 0.0034305500000000, 0.0021427000000000 ] - [ 0.0038879300000000, 0.0043748100000000, -0.0006276500000000 ] - [ 0.0024670900000000, 0.0000000000000000, 0.0005061500000000 ] - [ 0.0038879300000000, -0.0043748100000000, -0.0006276500000000 ] - [ 0.0004007200000000, -0.0002545300000000, 0.0019617000000000 ] - [ 0.0007062200000000, 0.0000000000000000, -0.0001242000000000 ] - [ 0.0004007200000000, 0.0002545300000000, 0.0019617000000000 ] - [ -0.0022178000000000, 0.0001835200000000, -0.0007156200000000 ] - [ -0.0014638000000000, 0.0000000000000000, -0.0004599800000000 ] - [ -0.0022178000000000, -0.0001835200000000, -0.0007156200000000 ] - [ 0.0064477900000000, 0.0000000000000000, -0.0044816800000000 ] - [ 0.0011821500000000, 0.0022270200000000, -0.0004127500000000 ] - [ 0.0011821500000000, -0.0022270200000000, -0.0004127500000000 ] - [ -0.0024547700000000, 0.0000000000000000, -0.0026888900000000 ] - [ -0.0011085200000000, 0.0000581400000000, -0.0011703800000000 ] - [ -0.0011085200000000, -0.0000581400000000, -0.0011703800000000 ] - [ -0.0042386800000000, 0.0000000000000000, -0.0001069500000000 ] - [ -0.0027881000000000, 0.0006988000000000, -0.0003859600000000 ] - [ -0.0027881000000000, -0.0006988000000000, -0.0003859600000000 ] - [ -0.0044567100000000, 0.0018731300000000, -0.0017325200000000 ] - [ -0.0025384500000000, 0.0000000000000000, -0.0007772100000000 ] - [ -0.0044567100000000, -0.0018731300000000, -0.0017325200000000 ] - [ -0.0040738900000000, 0.0000000000000000, 0.0002390200000000 ] - [ -0.0021811900000000, -0.0012255000000000, -0.0003966000000000 ] - [ -0.0021811900000000, 0.0012255000000000, -0.0003966000000000 ]- atom: 1 displacement: [ -0.0099999935342515, 0.0000000000000000, 0.0000113716722062 ] forces: - [ 0.1411892100000000, 0.0000000000000000, -0.0039130600000000 ] - [ 0.0127906400000000, -0.0026617400000000, 0.0024043400000000 ] - [ 0.0127906400000000, 0.0026617400000000, 0.0024043400000000 ] - [ 0.0022835300000000, -0.0032013800000000, -0.0118070100000000 ] - [ 0.0005109600000000, 0.0000000000000000, -0.0007146100000000 ] - [ 0.0022835300000000, 0.0032013800000000, -0.0118070100000000 ] - [ -0.0162279400000000, -0.0147738900000000, 0.0080549100000000 ] - [ -0.0002468600000000, 0.0000000000000000, 0.0006406400000000 ] - [ -0.0162279400000000, 0.0147738900000000, 0.0080549100000000 ] - [ 0.0067199900000000, 0.0000000000000000, 0.0137740300000000 ] - [ 0.0044681200000000, -0.0000302500000000, 0.0024988700000000 ] - [ 0.0044681200000000, 0.0000302500000000, 0.0024988700000000 ] - [ -0.0056088000000000, -0.0005582000000000, -0.0004306000000000 ] - [ -0.0034926500000000, 0.0000000000000000, -0.0001949300000000 ] - [ -0.0056088000000000, 0.0005582000000000, -0.0004306000000000 ] - [ -0.0033401000000000, 0.0000000000000000, -0.0014589900000000 ] - [ -0.0022352000000000, 0.0014147000000000, -0.0001633200000000 ] - [ -0.0022352000000000, -0.0014147000000000, -0.0001633200000000 ] - [ -0.0256585500000000, 0.0000000000000000, -0.0122598000000000 ] - [ -0.0027626800000000, 0.0045859700000000, -0.0026459900000000 ] - [ -0.0027626800000000, -0.0045859700000000, -0.0026459900000000 ] - [ -0.0043502400000000, -0.0004462000000000, -0.0026607400000000 ] - [ -0.0029619900000000, 0.0000000000000000, -0.0017640400000000 ] - [ -0.0043502400000000, 0.0004462000000000, -0.0026607400000000 ] - [ 0.0002674100000000, 0.0000000000000000, 0.0002724300000000 ] - [ 0.0001940500000000, -0.0003433900000000, 0.0001454800000000 ] - [ 0.0001940500000000, 0.0003433900000000, 0.0001454800000000 ] - [ -0.0035432300000000, 0.0003847500000000, 0.0053577600000000 ] - [ 0.0000356000000000, 0.0000000000000000, -0.0001049800000000 ] - [ -0.0035432300000000, -0.0003847500000000, 0.0053577600000000 ] - [ 0.0007575500000000, 0.0030986300000000, -0.0043998600000000 ] - [ -0.0002695600000000, 0.0000000000000000, 0.0000728100000000 ] - [ 0.0007575500000000, -0.0030986300000000, -0.0043998600000000 ] - [ -0.0006319700000000, 0.0000000000000000, -0.0003184500000000 ] - [ -0.0002617100000000, 0.0000367600000000, -0.0001156900000000 ] - [ -0.0002617100000000, -0.0000367600000000, -0.0001156900000000 ] - [ 0.0010769500000000, 0.0000000000000000, 0.0019923300000000 ] - [ 0.0007484900000000, 0.0004852800000000, 0.0005112100000000 ] - [ 0.0007484900000000, -0.0004852800000000, 0.0005112100000000 ] - [ -0.0142332000000000, 0.0000000000000000, -0.0075931200000000 ] - [ -0.0032076000000000, 0.0016129800000000, 0.0004484400000000 ] - [ -0.0032076000000000, -0.0016129800000000, 0.0004484400000000 ] - [ 0.0021419300000000, 0.0007416400000000, 0.0000493600000000 ] - [ 0.0005601600000000, 0.0000000000000000, 0.0000418700000000 ] - [ 0.0021419300000000, -0.0007416400000000, 0.0000493600000000 ] - [ -0.0012438700000000, 0.0020567800000000, -0.0036025000000000 ] - [ -0.0005460900000000, 0.0000000000000000, -0.0006659400000000 ] - [ -0.0012438700000000, -0.0020567800000000, -0.0036025000000000 ] - [ -0.0214820700000000, -0.0098994400000000, -0.0018460000000000 ] - [ -0.0011268600000000, 0.0000000000000000, -0.0000798000000000 ] - [ -0.0214820700000000, 0.0098994400000000, -0.0018460000000000 ] - [ -0.0367200400000000, 0.0000000000000000, 0.0170583400000000 ] - [ -0.0023844200000000, 0.0034342200000000, -0.0022533400000000 ] - [ -0.0023844200000000, -0.0034342200000000, -0.0022533400000000 ] - [ -0.0042992100000000, -0.0040834000000000, 0.0010539300000000 ] - [ -0.0026469800000000, 0.0000000000000000, -0.0000344300000000 ] - [ -0.0042992100000000, 0.0040834000000000, 0.0010539300000000 ] - [ -0.0002446300000000, 0.0002637800000000, -0.0024457800000000 ] - [ -0.0005487300000000, 0.0000000000000000, -0.0003501700000000 ] - [ -0.0002446300000000, -0.0002637800000000, -0.0024457800000000 ] - [ 0.0025588900000000, -0.0001922500000000, 0.0007988800000000 ] - [ 0.0018152200000000, 0.0000000000000000, 0.0005486500000000 ] - [ 0.0025588900000000, 0.0001922500000000, 0.0007988800000000 ] - [ -0.0065300100000000, 0.0000000000000000, 0.0043665300000000 ] - [ -0.0011875400000000, -0.0022522400000000, 0.0004090800000000 ] - [ -0.0011875400000000, 0.0022522400000000, 0.0004090800000000 ] - [ 0.0030240300000000, 0.0000000000000000, 0.0028240500000000 ] - [ 0.0016780000000000, -0.0000640300000000, 0.0012787700000000 ] - [ 0.0016780000000000, 0.0000640300000000, 0.0012787700000000 ] - [ 0.0039185200000000, 0.0000000000000000, 0.0000058900000000 ] - [ 0.0024579000000000, -0.0007104900000000, 0.0003005100000000 ] - [ 0.0024579000000000, 0.0007104900000000, 0.0003005100000000 ] - [ 0.0039167500000000, -0.0019034500000000, 0.0016436100000000 ] - [ 0.0019796600000000, 0.0000000000000000, 0.0006791000000000 ] - [ 0.0039167500000000, 0.0019034500000000, 0.0016436100000000 ] - [ 0.0038993800000000, 0.0000000000000000, 0.0002508200000000 ] - [ 0.0020215600000000, 0.0012205400000000, 0.0008781100000000 ] - [ 0.0020215600000000, -0.0012205400000000, 0.0008781100000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0009857500000000, -0.1265097100000000, -0.0000792400000000 ] - [ -0.0027837000000000, 0.0307612600000000, -0.0015872300000000 ] - [ 0.0024599000000000, 0.0303745500000000, 0.0020779300000000 ] - [ 0.0033600700000000, -0.0004436000000000, 0.0188624600000000 ] - [ 0.0001650700000000, 0.0055751500000000, -0.0002483600000000 ] - [ -0.0030239400000000, -0.0003946200000000, -0.0192342100000000 ] - [ 0.0147996300000000, -0.0008223900000000, -0.0102712800000000 ] - [ 0.0003835400000000, 0.0055118500000000, 0.0002513100000000 ] - [ -0.0139682000000000, -0.0007364900000000, 0.0106888400000000 ] - [ -0.0003711300000000, -0.0062582700000000, -0.0002194900000000 ] - [ -0.0006096700000000, 0.0030017500000000, -0.0004541400000000 ] - [ -0.0001408700000000, 0.0030273200000000, -0.0000522800000000 ] - [ -0.0007224700000000, -0.0012301800000000, 0.0006842300000000 ] - [ -0.0001547500000000, 0.0024234200000000, 0.0002577200000000 ] - [ 0.0004122200000000, -0.0012282600000000, -0.0001720200000000 ] - [ 0.0001644000000000, -0.0042497400000000, -0.0002413400000000 ] - [ -0.0012567900000000, 0.0022609800000000, -0.0010389700000000 ] - [ 0.0015640500000000, 0.0022707800000000, 0.0005179400000000 ] - [ 0.0004414800000000, -0.0129462900000000, 0.0002643800000000 ] - [ -0.0037611800000000, 0.0055676600000000, -0.0018442000000000 ] - [ 0.0044855800000000, 0.0055744800000000, 0.0023409200000000 ] - [ -0.0002328600000000, -0.0012800800000000, -0.0008155400000000 ] - [ -0.0003706800000000, 0.0025317400000000, -0.0002512200000000 ] - [ -0.0005092200000000, -0.0012764000000000, 0.0003169600000000 ] - [ -0.0000017400000000, -0.0009867500000000, 0.0000003900000000 ] - [ -0.0001020200000000, 0.0005141500000000, 0.0000174400000000 ] - [ 0.0001011500000000, 0.0005155900000000, -0.0000175000000000 ] - [ -0.0034286900000000, 0.0011600300000000, 0.0057404000000000 ] - [ -0.0000000700000000, -0.0006713200000000, 0.0000011800000000 ] - [ 0.0034026800000000, 0.0011429300000000, -0.0057237000000000 ] - [ 0.0004944700000000, 0.0006927300000000, -0.0056705700000000 ] - [ 0.0000027400000000, 0.0019003300000000, 0.0000004400000000 ] - [ -0.0004956900000000, 0.0007197100000000, 0.0056377700000000 ] - [ -0.0000016400000000, -0.0003125700000000, -0.0000015600000000 ] - [ 0.0006270800000000, 0.0000872900000000, 0.0001334200000000 ] - [ -0.0006339800000000, 0.0000902200000000, -0.0001362000000000 ] - [ 0.0000817300000000, 0.0026421700000000, -0.0002354500000000 ] - [ -0.0003287500000000, -0.0011663300000000, -0.0012508000000000 ] - [ 0.0004878800000000, -0.0011749200000000, 0.0007891900000000 ] - [ 0.0001757500000000, 0.0150015000000000, -0.0000400900000000 ] - [ 0.0003922200000000, -0.0045857200000000, -0.0037815200000000 ] - [ -0.0000469500000000, -0.0045764600000000, 0.0038290200000000 ] - [ -0.0016477100000000, 0.0006006100000000, -0.0002980900000000 ] - [ -0.0000026200000000, -0.0011743400000000, -0.0000008900000000 ] - [ 0.0016463200000000, 0.0005896700000000, 0.0002961400000000 ] - [ 0.0027479800000000, 0.0021822100000000, 0.0003092100000000 ] - [ 0.0002818200000000, -0.0036300800000000, 0.0000510000000000 ] - [ -0.0021650600000000, 0.0021344500000000, -0.0002160400000000 ] - [ 0.0091684500000000, 0.0229451400000000, 0.0037356600000000 ] - [ -0.0001869700000000, -0.0073517600000000, -0.0000498500000000 ] - [ -0.0084438200000000, 0.0215791200000000, -0.0033926000000000 ] - [ -0.0003075100000000, 0.0145461200000000, -0.0000278300000000 ] - [ -0.0029220300000000, -0.0044490900000000, 0.0032199800000000 ] - [ 0.0023245800000000, -0.0044428800000000, -0.0032890200000000 ] - [ 0.0052677300000000, 0.0031623700000000, 0.0021556700000000 ] - [ -0.0000718800000000, -0.0053516700000000, 0.0002391200000000 ] - [ -0.0057456300000000, 0.0027122200000000, -0.0017208300000000 ] - [ 0.0009986400000000, 0.0010638900000000, -0.0025100800000000 ] - [ 0.0000832100000000, -0.0018145100000000, -0.0002369300000000 ] - [ -0.0008435200000000, 0.0010483300000000, 0.0020439300000000 ] - [ 0.0004824200000000, 0.0009386300000000, 0.0001842100000000 ] - [ 0.0001713600000000, -0.0018668900000000, 0.0000437000000000 ] - [ -0.0001445400000000, 0.0009319100000000, -0.0001002700000000 ] - [ -0.0000192000000000, 0.0096240100000000, -0.0000621200000000 ] - [ 0.0003863300000000, -0.0031967000000000, 0.0014639100000000 ] - [ -0.0003803500000000, -0.0031710900000000, -0.0014545000000000 ] - [ 0.0002747800000000, 0.0013611900000000, 0.0000484500000000 ] - [ 0.0013188600000000, -0.0006885300000000, 0.0007557800000000 ] - [ -0.0007520000000000, -0.0006933900000000, -0.0006546700000000 ] - [ -0.0001704200000000, 0.0021964600000000, -0.0000436500000000 ] - [ 0.0012364900000000, -0.0011830800000000, 0.0001955400000000 ] - [ -0.0015750400000000, -0.0011862600000000, -0.0002798400000000 ] - [ 0.0006589300000000, 0.0015537700000000, 0.0005871700000000 ] - [ -0.0002815400000000, -0.0032852400000000, -0.0000499900000000 ] - [ -0.0012249800000000, 0.0015470800000000, -0.0006885100000000 ] - [ -0.0000767800000000, 0.0021928900000000, 0.0002368900000000 ] - [ -0.0008903600000000, -0.0009558100000000, 0.0006945700000000 ] - [ 0.0007331800000000, -0.0009662400000000, -0.0002302700000000 ]- atom: 1 displacement: [ -0.0033403566784967, 0.0000000000000000, 0.0094256043445724 ] forces: - [ 0.0505689200000000, 0.0000000000000000, -0.1154210700000000 ] - [ 0.0021417100000000, 0.0007972400000000, -0.0038057600000000 ] - [ 0.0021417100000000, -0.0007972400000000, -0.0038057600000000 ] - [ 0.0118415000000000, 0.0169741500000000, 0.0094678400000000 ] - [ 0.0007032900000000, 0.0000000000000000, 0.0000978700000000 ] - [ 0.0118415000000000, -0.0169741500000000, 0.0094678400000000 ] - [ -0.0122468200000000, -0.0158272100000000, -0.0009332400000000 ] - [ 0.0000910700000000, 0.0000000000000000, 0.0001572600000000 ] - [ -0.0122468200000000, 0.0158272100000000, -0.0009332400000000 ] - [ -0.0132324500000000, 0.0000000000000000, 0.0335056200000000 ] - [ -0.0012531600000000, -0.0001922200000000, 0.0024134600000000 ] - [ -0.0012531600000000, 0.0001922200000000, 0.0024134600000000 ] - [ -0.0013268800000000, -0.0005946000000000, 0.0001844900000000 ] - [ -0.0008405800000000, 0.0000000000000000, 0.0002276100000000 ] - [ -0.0013268800000000, 0.0005946000000000, 0.0001844900000000 ] - [ 0.0001286500000000, 0.0000000000000000, 0.0050555600000000 ] - [ -0.0007314100000000, -0.0002586800000000, 0.0016848600000000 ] - [ -0.0007314100000000, 0.0002586800000000, 0.0016848600000000 ] - [ 0.0027738500000000, 0.0000000000000000, -0.0075082000000000 ] - [ 0.0002581500000000, 0.0006787200000000, -0.0023367800000000 ] - [ 0.0002581500000000, -0.0006787200000000, -0.0023367800000000 ] - [ 0.0010500300000000, -0.0003068100000000, 0.0002998400000000 ] - [ 0.0001366900000000, 0.0000000000000000, -0.0000604000000000 ] - [ 0.0010500300000000, 0.0003068100000000, 0.0002998400000000 ] - [ -0.0002489400000000, 0.0000000000000000, 0.0007270500000000 ] - [ -0.0000729000000000, -0.0000377000000000, 0.0002749600000000 ] - [ -0.0000729000000000, 0.0000377000000000, 0.0002749600000000 ] - [ -0.0029664700000000, 0.0010571100000000, 0.0017079200000000 ] - [ -0.0000946500000000, 0.0000000000000000, 0.0000643100000000 ] - [ -0.0029664700000000, -0.0010571100000000, 0.0017079200000000 ] - [ 0.0005957700000000, -0.0058507700000000, 0.0023568100000000 ] - [ -0.0002282000000000, 0.0000000000000000, -0.0001448600000000 ] - [ 0.0005957700000000, 0.0058507700000000, 0.0023568100000000 ] - [ 0.0004660100000000, 0.0000000000000000, -0.0009843900000000 ] - [ 0.0001657600000000, 0.0000118700000000, -0.0002853200000000 ] - [ 0.0001657600000000, -0.0000118700000000, -0.0002853200000000 ] - [ -0.0031017200000000, 0.0000000000000000, -0.0010498500000000 ] - [ -0.0015559000000000, -0.0011218100000000, -0.0003578400000000 ] - [ -0.0015559000000000, 0.0011218100000000, -0.0003578400000000 ] - [ 0.0009594700000000, 0.0000000000000000, 0.0236915100000000 ] - [ 0.0006230300000000, -0.0016739300000000, 0.0001720700000000 ] - [ 0.0006230300000000, 0.0016739300000000, 0.0001720700000000 ] - [ 0.0003412900000000, 0.0000407000000000, -0.0011215800000000 ] - [ 0.0000902700000000, 0.0000000000000000, -0.0002714000000000 ] - [ 0.0003412900000000, -0.0000407000000000, -0.0011215800000000 ] - [ 0.0031008400000000, 0.0004595700000000, -0.0076770700000000 ] - [ 0.0005839900000000, 0.0000000000000000, -0.0008011100000000 ] - [ 0.0031008400000000, -0.0004595700000000, -0.0076770700000000 ] - [ -0.0051584900000000, 0.0016836600000000, 0.0148699700000000 ] - [ -0.0007562200000000, 0.0000000000000000, 0.0005795100000000 ] - [ -0.0051584900000000, -0.0016836600000000, 0.0148699700000000 ] - [ -0.0236580100000000, 0.0000000000000000, 0.0244457400000000 ] - [ -0.0012873100000000, 0.0014953400000000, 0.0001099700000000 ] - [ -0.0012873100000000, -0.0014953400000000, 0.0001099700000000 ] - [ -0.0017576400000000, -0.0000309400000000, 0.0065301000000000 ] - [ -0.0002292800000000, 0.0000000000000000, 0.0011484100000000 ] - [ -0.0017576400000000, 0.0000309400000000, 0.0065301000000000 ] - [ 0.0020903400000000, 0.0008858600000000, -0.0039909200000000 ] - [ 0.0005129000000000, 0.0000000000000000, -0.0010752800000000 ] - [ 0.0020903400000000, -0.0008858600000000, -0.0039909200000000 ] - [ 0.0000376300000000, 0.0004728700000000, -0.0003247900000000 ] - [ 0.0001850200000000, 0.0000000000000000, -0.0000609700000000 ] - [ 0.0000376300000000, -0.0004728700000000, -0.0003247900000000 ] - [ -0.0061945600000000, 0.0000000000000000, -0.0062224900000000 ] - [ -0.0000806800000000, 0.0012661200000000, 0.0003801100000000 ] - [ -0.0000806800000000, -0.0012661200000000, 0.0003801100000000 ] - [ -0.0024259700000000, 0.0000000000000000, -0.0004215200000000 ] - [ -0.0003299100000000, 0.0003807700000000, 0.0000580000000000 ] - [ -0.0003299100000000, -0.0003807700000000, 0.0000580000000000 ] - [ 0.0005900200000000, 0.0000000000000000, -0.0001664900000000 ] - [ 0.0010249100000000, -0.0003482000000000, 0.0002585300000000 ] - [ 0.0010249100000000, 0.0003482000000000, 0.0002585300000000 ] - [ -0.0000651800000000, 0.0002961800000000, 0.0004449100000000 ] - [ -0.0000615300000000, 0.0000000000000000, 0.0001105800000000 ] - [ -0.0000651800000000, -0.0002961800000000, 0.0004449100000000 ] - [ 0.0023050000000000, 0.0000000000000000, 0.0014593200000000 ] - [ 0.0010502600000000, 0.0011591900000000, 0.0010783000000000 ] - [ 0.0010502600000000, -0.0011591900000000, 0.0010783000000000 ]- atom: 1 displacement: [ 0.0033403566784967, 0.0000000000000000, -0.0094256043445724 ] forces: - [ -0.0532899400000000, 0.0000000000000000, 0.1158000100000000 ] - [ -0.0024414300000000, -0.0009095300000000, 0.0043207600000000 ] - [ -0.0024414300000000, 0.0009095300000000, 0.0043207600000000 ] - [ -0.0113794900000000, -0.0167999400000000, -0.0099398200000000 ] - [ -0.0003932800000000, 0.0000000000000000, -0.0006235700000000 ] - [ -0.0113794900000000, 0.0167999400000000, -0.0099398200000000 ] - [ 0.0130920400000000, 0.0159604800000000, 0.0014986700000000 ] - [ 0.0006373800000000, 0.0000000000000000, 0.0003502500000000 ] - [ 0.0130920400000000, -0.0159604800000000, 0.0014986700000000 ] - [ 0.0124674500000000, 0.0000000000000000, -0.0340827700000000 ] - [ 0.0005077100000000, 0.0002113000000000, -0.0029074400000000 ] - [ 0.0005077100000000, -0.0002113000000000, -0.0029074400000000 ] - [ 0.0010246700000000, 0.0005923000000000, 0.0003273300000000 ] - [ 0.0005385800000000, 0.0000000000000000, 0.0002857700000000 ] - [ 0.0010246700000000, -0.0005923000000000, 0.0003273300000000 ] - [ 0.0001701400000000, 0.0000000000000000, -0.0055648600000000 ] - [ 0.0010242800000000, 0.0002632500000000, -0.0021974600000000 ] - [ 0.0010242800000000, -0.0002632500000000, -0.0021974600000000 ] - [ -0.0019014900000000, 0.0000000000000000, 0.0080740100000000 ] - [ 0.0004937900000000, -0.0006980900000000, 0.0028423700000000 ] - [ 0.0004937900000000, 0.0006980900000000, 0.0028423700000000 ] - [ -0.0017836500000000, 0.0003063200000000, -0.0007939300000000 ] - [ -0.0008705000000000, 0.0000000000000000, -0.0004343200000000 ] - [ -0.0017836500000000, -0.0003063200000000, -0.0007939300000000 ] - [ 0.0002398200000000, 0.0000000000000000, -0.0007289600000000 ] - [ 0.0000718300000000, 0.0000364400000000, -0.0002750600000000 ] - [ 0.0000718300000000, -0.0000364400000000, -0.0002750600000000 ] - [ 0.0029614000000000, -0.0010511900000000, -0.0017325900000000 ] - [ 0.0000938200000000, 0.0000000000000000, -0.0000657200000000 ] - [ 0.0029614000000000, 0.0010511900000000, -0.0017325900000000 ] - [ -0.0006338500000000, 0.0058972400000000, -0.0023745600000000 ] - [ 0.0002301100000000, 0.0000000000000000, 0.0001493000000000 ] - [ -0.0006338500000000, -0.0058972400000000, -0.0023745600000000 ] - [ -0.0004754400000000, 0.0000000000000000, 0.0009814000000000 ] - [ -0.0001749300000000, -0.0000184000000000, 0.0002832000000000 ] - [ -0.0001749300000000, 0.0000184000000000, 0.0002832000000000 ] - [ 0.0032532700000000, 0.0000000000000000, 0.0005566000000000 ] - [ 0.0017109000000000, 0.0011128600000000, -0.0001137600000000 ] - [ 0.0017109000000000, -0.0011128600000000, -0.0001137600000000 ] - [ -0.0005258100000000, 0.0000000000000000, -0.0212402400000000 ] - [ -0.0002804200000000, 0.0016654800000000, -0.0000624000000000 ] - [ -0.0002804200000000, -0.0016654800000000, -0.0000624000000000 ] - [ -0.0003417500000000, -0.0000556100000000, 0.0011193200000000 ] - [ -0.0000900600000000, 0.0000000000000000, 0.0002707200000000 ] - [ -0.0003417500000000, 0.0000556100000000, 0.0011193200000000 ] - [ -0.0025618500000000, -0.0004911000000000, 0.0077707300000000 ] - [ -0.0000240000000000, 0.0000000000000000, 0.0009034900000000 ] - [ -0.0025618500000000, 0.0004911000000000, 0.0077707300000000 ] - [ 0.0048053100000000, -0.0017822000000000, -0.0149962900000000 ] - [ 0.0004290300000000, 0.0000000000000000, -0.0006593200000000 ] - [ 0.0048053100000000, 0.0017822000000000, -0.0149962900000000 ] - [ 0.0250860200000000, 0.0000000000000000, -0.0263136500000000 ] - [ 0.0007334200000000, -0.0015006900000000, -0.0002357000000000 ] - [ 0.0007334200000000, 0.0015006900000000, -0.0002357000000000 ] - [ 0.0015494600000000, 0.0001207600000000, -0.0061200500000000 ] - [ 0.0000577500000000, 0.0000000000000000, -0.0006804000000000 ] - [ 0.0015494600000000, -0.0001207600000000, -0.0061200500000000 ] - [ -0.0019148500000000, -0.0008906600000000, 0.0035181300000000 ] - [ -0.0003495500000000, 0.0000000000000000, 0.0006106500000000 ] - [ -0.0019148500000000, 0.0008906600000000, 0.0035181300000000 ] - [ 0.0003096600000000, -0.0004680600000000, 0.0004147500000000 ] - [ 0.0001605900000000, 0.0000000000000000, 0.0001496000000000 ] - [ 0.0003096600000000, 0.0004680600000000, 0.0004147500000000 ] - [ 0.0061896200000000, 0.0000000000000000, 0.0058658400000000 ] - [ 0.0000869000000000, -0.0012711900000000, -0.0003948700000000 ] - [ 0.0000869000000000, 0.0012711900000000, -0.0003948700000000 ] - [ 0.0029946300000000, 0.0000000000000000, 0.0005179400000000 ] - [ 0.0008964200000000, -0.0003799000000000, 0.0000402600000000 ] - [ 0.0008964200000000, 0.0003799000000000, 0.0000402600000000 ] - [ -0.0009351500000000, 0.0000000000000000, 0.0000815200000000 ] - [ -0.0013620400000000, 0.0003454800000000, -0.0003377200000000 ] - [ -0.0013620400000000, -0.0003454800000000, -0.0003377200000000 ] - [ -0.0005185500000000, -0.0002866000000000, -0.0005538900000000 ] - [ -0.0005165900000000, 0.0000000000000000, -0.0002156000000000 ] - [ -0.0005185500000000, 0.0002866000000000, -0.0005538900000000 ] - [ -0.0024901300000000, 0.0000000000000000, -0.0009714200000000 ] - [ -0.0012181200000000, -0.0011645000000000, -0.0006081200000000 ] - [ -0.0012181200000000, 0.0011645000000000, -0.0006081200000000 ]- atom: 7 displacement: [ 0.0099999935342515, 0.0000000000000000, -0.0000113716722062 ] forces: - [ 0.0164546400000000, 0.0143142500000000, -0.0072334000000000 ] - [ 0.0164546400000000, -0.0143142500000000, -0.0072334000000000 ] - [ 0.0004660900000000, 0.0000000000000000, 0.0001838700000000 ] - [ -0.0069529400000000, 0.0000000000000000, -0.0164234900000000 ] - [ -0.0046849500000000, -0.0002368600000000, -0.0029099800000000 ] - [ -0.0046849500000000, 0.0002368600000000, -0.0029099800000000 ] - [ -0.1412870200000000, 0.0000000000000000, -0.0185120500000000 ] - [ -0.0117827300000000, -0.0035624600000000, -0.0029316700000000 ] - [ -0.0117827300000000, 0.0035624600000000, -0.0029316700000000 ] - [ 0.0035965300000000, 0.0058747600000000, 0.0117426200000000 ] - [ 0.0035965300000000, -0.0058747600000000, 0.0117426200000000 ] - [ 0.0000619500000000, 0.0000000000000000, 0.0002020100000000 ] - [ 0.0258743600000000, 0.0000000000000000, 0.0120036300000000 ] - [ 0.0029748400000000, 0.0041376900000000, 0.0012453600000000 ] - [ 0.0029748400000000, -0.0041376900000000, 0.0012453600000000 ] - [ 0.0041380000000000, -0.0001458800000000, 0.0026603100000000 ] - [ 0.0041380000000000, 0.0001458800000000, 0.0026603100000000 ] - [ 0.0027449200000000, 0.0000000000000000, 0.0011946600000000 ] - [ 0.0060768200000000, -0.0002182000000000, 0.0007664800000000 ] - [ 0.0060768200000000, 0.0002182000000000, 0.0007664800000000 ] - [ 0.0036642400000000, 0.0000000000000000, 0.0008764000000000 ] - [ 0.0058234700000000, 0.0000000000000000, -0.0027299300000000 ] - [ 0.0017197500000000, 0.0019266400000000, -0.0003138600000000 ] - [ 0.0017197500000000, -0.0019266400000000, -0.0003138600000000 ] - [ 0.0038431100000000, -0.0085753400000000, -0.0059977700000000 ] - [ 0.0038431100000000, 0.0085753400000000, -0.0059977700000000 ] - [ 0.0000181100000000, 0.0000000000000000, 0.0002079500000000 ] - [ 0.0002617000000000, 0.0000000000000000, -0.0003367300000000 ] - [ 0.0001536600000000, 0.0001697400000000, -0.0001383500000000 ] - [ 0.0001536600000000, -0.0001697400000000, -0.0001383500000000 ] - [ -0.0012430000000000, 0.0000000000000000, -0.0001891100000000 ] - [ -0.0003530800000000, -0.0005420800000000, -0.0000235400000000 ] - [ -0.0003530800000000, 0.0005420800000000, -0.0000235400000000 ] - [ -0.0022522200000000, 0.0002326100000000, 0.0044096800000000 ] - [ -0.0022522200000000, -0.0002326100000000, 0.0044096800000000 ] - [ -0.0000116400000000, 0.0000000000000000, -0.0000448200000000 ] - [ 0.0020573300000000, 0.0001425400000000, 0.0018874200000000 ] - [ 0.0020573300000000, -0.0001425400000000, 0.0018874200000000 ] - [ 0.0008656600000000, 0.0000000000000000, 0.0008813700000000 ] - [ 0.0012006300000000, -0.0022489600000000, 0.0025118600000000 ] - [ 0.0012006300000000, 0.0022489600000000, 0.0025118600000000 ] - [ 0.0008486000000000, 0.0000000000000000, 0.0004252600000000 ] - [ 0.0024544200000000, 0.0000000000000000, 0.0054576900000000 ] - [ 0.0010579100000000, -0.0033084100000000, 0.0006777300000000 ] - [ 0.0010579100000000, 0.0033084100000000, 0.0006777300000000 ] - [ 0.0164661600000000, 0.0000000000000000, 0.0115780900000000 ] - [ 0.0028729600000000, 0.0028862700000000, -0.0009613400000000 ] - [ 0.0028729600000000, -0.0028862700000000, -0.0009613400000000 ] - [ 0.0193915600000000, 0.0000000000000000, -0.0012416500000000 ] - [ 0.0022083400000000, 0.0029837500000000, 0.0026422900000000 ] - [ 0.0022083400000000, -0.0029837500000000, 0.0026422900000000 ] - [ 0.0255321500000000, 0.0174667300000000, 0.0038629400000000 ] - [ 0.0255321500000000, -0.0174667300000000, 0.0038629400000000 ] - [ 0.0003540900000000, 0.0000000000000000, -0.0000639700000000 ] - [ -0.0032018300000000, 0.0000000000000000, -0.0002241600000000 ] - [ -0.0021348700000000, 0.0012299700000000, 0.0001049700000000 ] - [ -0.0021348700000000, -0.0012299700000000, 0.0001049700000000 ] - [ -0.0015160500000000, 0.0000000000000000, -0.0011753000000000 ] - [ -0.0012351600000000, 0.0006229900000000, -0.0010368300000000 ] - [ -0.0012351600000000, -0.0006229900000000, -0.0010368300000000 ] - [ -0.0027316800000000, 0.0000000000000000, -0.0023578500000000 ] - [ -0.0013684100000000, -0.0006178300000000, -0.0010514800000000 ] - [ -0.0013684100000000, 0.0006178300000000, -0.0010514800000000 ] - [ -0.0024492700000000, -0.0011028300000000, -0.0009646300000000 ] - [ -0.0024492700000000, 0.0011028300000000, -0.0009646300000000 ] - [ -0.0005489400000000, 0.0000000000000000, -0.0001991500000000 ] - [ -0.0022977100000000, 0.0009577600000000, -0.0006080800000000 ] - [ -0.0022977100000000, -0.0009577600000000, -0.0006080800000000 ] - [ -0.0011818900000000, 0.0000000000000000, -0.0004669400000000 ] - [ -0.0040722500000000, 0.0019325200000000, -0.0015076200000000 ] - [ -0.0040722500000000, -0.0019325200000000, -0.0015076200000000 ] - [ -0.0023221500000000, 0.0000000000000000, -0.0009506600000000 ] - [ -0.0061191700000000, 0.0000000000000000, -0.0002493700000000 ] - [ -0.0024302100000000, -0.0004291300000000, -0.0001816100000000 ] - [ -0.0024302100000000, 0.0004291300000000, -0.0001816100000000 ] - [ 0.0039367700000000, 0.0050529500000000, -0.0010540800000000 ] - [ 0.0039367700000000, -0.0050529500000000, -0.0010540800000000 ] - [ 0.0022958100000000, 0.0000000000000000, 0.0009593800000000 ]- atom: 7 displacement: [ -0.0099999935342515, 0.0000000000000000, 0.0000113716722062 ] forces: - [ -0.0168765200000000, -0.0144751000000000, 0.0078396600000000 ] - [ -0.0168765200000000, 0.0144751000000000, 0.0078396600000000 ] - [ -0.0007598300000000, 0.0000000000000000, 0.0003299000000000 ] - [ 0.0071361900000000, 0.0000000000000000, 0.0159117900000000 ] - [ 0.0049643100000000, 0.0002300600000000, 0.0023805900000000 ] - [ 0.0049643100000000, -0.0002300600000000, 0.0023805900000000 ] - [ 0.1433647000000000, 0.0000000000000000, 0.0188356100000000 ] - [ 0.0124610100000000, 0.0034673800000000, 0.0034180400000000 ] - [ 0.0124610100000000, -0.0034673800000000, 0.0034180400000000 ] - [ -0.0042668700000000, -0.0058500800000000, -0.0122624600000000 ] - [ -0.0042668700000000, 0.0058500800000000, -0.0122624600000000 ] - [ -0.0007895100000000, 0.0000000000000000, -0.0006933600000000 ] - [ -0.0258547000000000, 0.0000000000000000, -0.0113035100000000 ] - [ -0.0032827900000000, -0.0041057800000000, -0.0007238600000000 ] - [ -0.0032827900000000, 0.0041057800000000, -0.0007238600000000 ] - [ -0.0038044000000000, 0.0001336400000000, -0.0031653400000000 ] - [ -0.0038044000000000, -0.0001336400000000, -0.0031653400000000 ] - [ -0.0024223700000000, 0.0000000000000000, -0.0017060000000000 ] - [ -0.0053121200000000, 0.0001957800000000, -0.0002595900000000 ] - [ -0.0053121200000000, -0.0001957800000000, -0.0002595900000000 ] - [ -0.0029129000000000, 0.0000000000000000, -0.0003706600000000 ] - [ -0.0065367500000000, 0.0000000000000000, 0.0021936000000000 ] - [ -0.0024561600000000, -0.0019122800000000, -0.0001968500000000 ] - [ -0.0024561600000000, 0.0019122800000000, -0.0001968500000000 ] - [ -0.0037974700000000, 0.0084818300000000, 0.0059266300000000 ] - [ -0.0037974700000000, -0.0084818300000000, 0.0059266300000000 ] - [ -0.0000177200000000, 0.0000000000000000, -0.0002060700000000 ] - [ -0.0002602700000000, 0.0000000000000000, 0.0003392300000000 ] - [ -0.0001537500000000, -0.0001700800000000, 0.0001383800000000 ] - [ -0.0001537500000000, 0.0001700800000000, 0.0001383800000000 ] - [ 0.0012725000000000, 0.0000000000000000, 0.0001931400000000 ] - [ 0.0003566200000000, 0.0005352500000000, 0.0000243800000000 ] - [ 0.0003566200000000, -0.0005352500000000, 0.0000243800000000 ] - [ 0.0022281300000000, -0.0002105300000000, -0.0044231100000000 ] - [ 0.0022281300000000, 0.0002105300000000, -0.0044231100000000 ] - [ 0.0000105600000000, 0.0000000000000000, 0.0000464400000000 ] - [ -0.0018844700000000, -0.0001445400000000, -0.0023321400000000 ] - [ -0.0018844700000000, 0.0001445400000000, -0.0023321400000000 ] - [ -0.0006911400000000, 0.0000000000000000, -0.0013563100000000 ] - [ -0.0008436200000000, 0.0022217100000000, -0.0024454200000000 ] - [ -0.0008436200000000, -0.0022217100000000, -0.0024454200000000 ] - [ -0.0005052200000000, 0.0000000000000000, -0.0003414500000000 ] - [ -0.0019200500000000, 0.0000000000000000, -0.0057264800000000 ] - [ -0.0010472000000000, 0.0032965500000000, -0.0006763800000000 ] - [ -0.0010472000000000, -0.0032965500000000, -0.0006763800000000 ] - [ -0.0159310600000000, 0.0000000000000000, -0.0117655800000000 ] - [ -0.0022869600000000, -0.0028640900000000, 0.0010566000000000 ] - [ -0.0022869600000000, 0.0028640900000000, 0.0010566000000000 ] - [ -0.0207009400000000, 0.0000000000000000, 0.0020679000000000 ] - [ -0.0025462700000000, -0.0029747400000000, -0.0027138300000000 ] - [ -0.0025462700000000, 0.0029747400000000, -0.0027138300000000 ] - [ -0.0266979000000000, -0.0184935700000000, -0.0041632000000000 ] - [ -0.0266979000000000, 0.0184935700000000, -0.0041632000000000 ] - [ -0.0009221900000000, 0.0000000000000000, -0.0000346600000000 ] - [ 0.0030243600000000, 0.0000000000000000, 0.0006841000000000 ] - [ 0.0019633200000000, -0.0012299300000000, 0.0003565800000000 ] - [ 0.0019633200000000, 0.0012299300000000, 0.0003565800000000 ] - [ 0.0016485600000000, 0.0000000000000000, 0.0006915300000000 ] - [ 0.0013794900000000, -0.0006156400000000, 0.0005620000000000 ] - [ 0.0013794900000000, 0.0006156400000000, 0.0005620000000000 ] - [ 0.0030665500000000, 0.0000000000000000, 0.0024169900000000 ] - [ 0.0017086400000000, 0.0006139200000000, 0.0011343500000000 ] - [ 0.0017086400000000, -0.0006139200000000, 0.0011343500000000 ] - [ 0.0024275000000000, 0.0011006100000000, 0.0009623700000000 ] - [ 0.0024275000000000, -0.0011006100000000, 0.0009623700000000 ] - [ 0.0005434800000000, 0.0000000000000000, 0.0001984500000000 ] - [ 0.0028595800000000, -0.0009441500000000, 0.0007142200000000 ] - [ 0.0028595800000000, 0.0009441500000000, 0.0007142200000000 ] - [ 0.0017361200000000, 0.0000000000000000, 0.0005667500000000 ] - [ 0.0037037600000000, -0.0019002200000000, 0.0014078200000000 ] - [ 0.0037037600000000, 0.0019002200000000, 0.0014078200000000 ] - [ 0.0019725500000000, 0.0000000000000000, 0.0008597400000000 ] - [ 0.0055076300000000, 0.0000000000000000, 0.0001574200000000 ] - [ 0.0018596200000000, 0.0004225400000000, 0.0000816000000000 ] - [ 0.0018596200000000, -0.0004225400000000, 0.0000816000000000 ] - [ -0.0039605700000000, -0.0052203300000000, 0.0015997000000000 ] - [ -0.0039605700000000, 0.0052203300000000, 0.0015997000000000 ] - [ -0.0024484500000000, 0.0000000000000000, -0.0004699300000000 ]- atom: 7 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0146465300000000, -0.0007540500000000, -0.0112966600000000 ] - [ -0.0150729200000000, -0.0008017900000000, 0.0118983300000000 ] - [ -0.0001665200000000, 0.0055086400000000, 0.0002585300000000 ] - [ 0.0001369000000000, -0.0062571500000000, -0.0002284800000000 ] - [ 0.0001850200000000, 0.0030020700000000, -0.0004644600000000 ] - [ 0.0001330600000000, 0.0030258100000000, -0.0000524200000000 ] - [ 0.0015763100000000, -0.1471109800000000, 0.0006498400000000 ] - [ 0.0039023100000000, 0.0312019300000000, 0.0005731200000000 ] - [ -0.0031292400000000, 0.0308174800000000, -0.0000758900000000 ] - [ 0.0054949300000000, -0.0008768800000000, 0.0166891700000000 ] - [ -0.0062673100000000, -0.0009687200000000, -0.0173221300000000 ] - [ -0.0003823100000000, 0.0056076800000000, -0.0002587700000000 ] - [ -0.0002184400000000, -0.0129434300000000, 0.0002241800000000 ] - [ 0.0044207700000000, 0.0055639900000000, 0.0011508800000000 ] - [ -0.0047179200000000, 0.0055754200000000, -0.0006299900000000 ] - [ -0.0002996000000000, -0.0012731600000000, -0.0000953600000000 ] - [ 0.0006122000000000, -0.0012811500000000, -0.0004238100000000 ] - [ 0.0001548300000000, 0.0025293800000000, -0.0002600800000000 ] - [ 0.0005727500000000, -0.0012382400000000, -0.0002020900000000 ] - [ 0.0001604100000000, -0.0012461500000000, 0.0007052000000000 ] - [ 0.0003683100000000, 0.0024654900000000, 0.0002524700000000 ] - [ -0.0003861600000000, -0.0055184400000000, -0.0002402500000000 ] - [ 0.0015521500000000, 0.0030016400000000, 0.0001109600000000 ] - [ -0.0022870400000000, 0.0030098000000000, -0.0006163200000000 ] - [ -0.0037810800000000, 0.0014457200000000, 0.0055596000000000 ] - [ 0.0038186700000000, 0.0014253400000000, -0.0055954700000000 ] - [ -0.0000035700000000, 0.0020810600000000, -0.0000011200000000 ] - [ -0.0000006100000000, 0.0004382200000000, 0.0000050400000000 ] - [ -0.0000170100000000, -0.0002098200000000, 0.0000447100000000 ] - [ 0.0000173100000000, -0.0002106300000000, -0.0000441900000000 ] - [ 0.0000026900000000, -0.0017073400000000, -0.0000014500000000 ] - [ 0.0000629900000000, 0.0008494000000000, -0.0000016400000000 ] - [ -0.0000570200000000, 0.0008512200000000, 0.0000034200000000 ] - [ 0.0013371700000000, 0.0017302600000000, -0.0069572400000000 ] - [ -0.0013269500000000, 0.0017534900000000, 0.0070020800000000 ] - [ 0.0000001000000000, -0.0007019000000000, -0.0000016100000000 ] - [ -0.0012311000000000, 0.0011216400000000, 0.0019200400000000 ] - [ 0.0013979900000000, 0.0011409700000000, -0.0023866900000000 ] - [ 0.0000784800000000, -0.0020666300000000, -0.0002310800000000 ] - [ 0.0017908300000000, 0.0021505700000000, 0.0011805800000000 ] - [ -0.0014612100000000, 0.0021923300000000, -0.0011159000000000 ] - [ 0.0001703100000000, -0.0035144100000000, 0.0000415900000000 ] - [ 0.0000405100000000, 0.0104497100000000, -0.0000381600000000 ] - [ -0.0013064600000000, -0.0035548600000000, 0.0010642200000000 ] - [ 0.0012955100000000, -0.0035569400000000, -0.0010576400000000 ] - [ 0.0002688500000000, 0.0160869000000000, 0.0000554400000000 ] - [ 0.0005362200000000, -0.0048460200000000, 0.0041666100000000 ] - [ 0.0000374400000000, -0.0048365700000000, -0.0040252900000000 ] - [ -0.0001397200000000, 0.0156223300000000, -0.0001049400000000 ] - [ 0.0020735000000000, -0.0047936000000000, -0.0030142300000000 ] - [ -0.0023901500000000, -0.0047851700000000, 0.0029008700000000 ] - [ 0.0158042500000000, 0.0315755900000000, 0.0044782900000000 ] - [ -0.0177429800000000, 0.0333251000000000, -0.0049885500000000 ] - [ -0.0002652500000000, -0.0079195000000000, -0.0000439200000000 ] - [ -0.0000823000000000, 0.0025555700000000, 0.0002402300000000 ] - [ 0.0003678500000000, -0.0012184700000000, 0.0005147500000000 ] - [ -0.0005294700000000, -0.0012257300000000, -0.0000410700000000 ] - [ 0.0000801200000000, 0.0024299600000000, -0.0002420000000000 ] - [ 0.0006138900000000, -0.0011719900000000, -0.0002259500000000 ] - [ -0.0004491600000000, -0.0011815900000000, -0.0002484300000000 ] - [ 0.0001711600000000, 0.0025917700000000, 0.0000424500000000 ] - [ -0.0012876500000000, -0.0014290800000000, -0.0008713200000000 ] - [ 0.0016237500000000, -0.0014339600000000, 0.0009557800000000 ] - [ -0.0031177800000000, 0.0005725400000000, -0.0009766500000000 ] - [ 0.0031239000000000, 0.0005950800000000, 0.0009785000000000 ] - [ 0.0000035100000000, -0.0014998500000000, 0.0000004700000000 ] - [ 0.0003150800000000, 0.0009829600000000, 0.0000424100000000 ] - [ 0.0002520400000000, 0.0009907600000000, 0.0000600300000000 ] - [ 0.0002810000000000, -0.0019848200000000, 0.0000494900000000 ] - [ 0.0009924200000000, 0.0015279500000000, 0.0001069100000000 ] - [ -0.0013278100000000, 0.0015352600000000, -0.0001906300000000 ] - [ -0.0001681500000000, -0.0032672000000000, -0.0000409000000000 ] - [ -0.0002721400000000, 0.0015571900000000, -0.0000488000000000 ] - [ -0.0016807300000000, -0.0007845300000000, -0.0001020700000000 ] - [ 0.0011143100000000, -0.0007873100000000, -0.0000005600000000 ] - [ 0.0064116300000000, 0.0014802800000000, 0.0027174500000000 ] - [ -0.0063448800000000, 0.0018911700000000, -0.0021049900000000 ] - [ -0.0000892700000000, -0.0053016200000000, 0.0002255700000000 ]- atom: 7 displacement: [ -0.0033403566784967, 0.0000000000000000, 0.0094256043445724 ] forces: - [ -0.0131786300000000, -0.0147561200000000, -0.0011010900000000 ] - [ -0.0131786300000000, 0.0147561200000000, -0.0011010900000000 ] - [ -0.0007239600000000, 0.0000000000000000, 0.0000533300000000 ] - [ -0.0106993200000000, 0.0000000000000000, 0.0342102300000000 ] - [ -0.0008184700000000, -0.0000995400000000, 0.0023695900000000 ] - [ -0.0008184700000000, 0.0000995400000000, 0.0023695900000000 ] - [ 0.0308956900000000, 0.0000000000000000, -0.1045178600000000 ] - [ 0.0014171900000000, 0.0008136600000000, -0.0041333100000000 ] - [ 0.0014171900000000, -0.0008136600000000, -0.0041333100000000 ] - [ 0.0095809400000000, 0.0140132200000000, 0.0038620800000000 ] - [ 0.0095809400000000, -0.0140132200000000, 0.0038620800000000 ] - [ -0.0000910400000000, 0.0000000000000000, -0.0002836800000000 ] - [ 0.0028290300000000, 0.0000000000000000, -0.0072922200000000 ] - [ 0.0015115400000000, 0.0005858300000000, -0.0016969500000000 ] - [ 0.0015115400000000, -0.0005858300000000, -0.0016969500000000 ] - [ 0.0011001400000000, 0.0005807500000000, 0.0001173300000000 ] - [ 0.0011001400000000, -0.0005807500000000, 0.0001173300000000 ] - [ 0.0007161500000000, 0.0000000000000000, -0.0000541000000000 ] - [ -0.0010513900000000, 0.0004934500000000, -0.0005486800000000 ] - [ -0.0010513900000000, -0.0004934500000000, -0.0005486800000000 ] - [ -0.0001425000000000, 0.0000000000000000, -0.0000806900000000 ] - [ -0.0047435400000000, 0.0000000000000000, 0.0051344900000000 ] - [ -0.0011157200000000, -0.0002934200000000, 0.0025319300000000 ] - [ -0.0011157200000000, 0.0002934200000000, 0.0025319300000000 ] - [ -0.0031574800000000, 0.0075957700000000, 0.0023952000000000 ] - [ -0.0031574800000000, -0.0075957700000000, 0.0023952000000000 ] - [ 0.0002866300000000, 0.0000000000000000, 0.0000056600000000 ] - [ -0.0003169500000000, 0.0000000000000000, 0.0008623400000000 ] - [ -0.0001228000000000, 0.0000009900000000, 0.0003224800000000 ] - [ -0.0001228000000000, -0.0000009900000000, 0.0003224800000000 ] - [ 0.0002550200000000, 0.0000000000000000, -0.0005337900000000 ] - [ 0.0000544400000000, -0.0000192500000000, -0.0002117000000000 ] - [ 0.0000544400000000, 0.0000192500000000, -0.0002117000000000 ] - [ 0.0011835100000000, -0.0016593900000000, 0.0036484900000000 ] - [ 0.0011835100000000, 0.0016593900000000, 0.0036484900000000 ] - [ 0.0000124800000000, 0.0000000000000000, 0.0000752400000000 ] - [ 0.0011183300000000, -0.0007937500000000, -0.0052254400000000 ] - [ 0.0011183300000000, 0.0007937500000000, -0.0052254400000000 ] - [ 0.0003177200000000, 0.0000000000000000, -0.0012895200000000 ] - [ 0.0022812900000000, -0.0003175600000000, -0.0062556700000000 ] - [ 0.0022812900000000, 0.0003175600000000, -0.0062556700000000 ] - [ 0.0004275700000000, 0.0000000000000000, -0.0006134400000000 ] - [ 0.0041344700000000, 0.0000000000000000, 0.0014524200000000 ] - [ -0.0001284600000000, 0.0015646100000000, 0.0002527700000000 ] - [ -0.0001284600000000, -0.0015646100000000, 0.0002527700000000 ] - [ 0.0037937900000000, 0.0000000000000000, 0.0283334700000000 ] - [ 0.0008244500000000, 0.0011686200000000, 0.0007786900000000 ] - [ 0.0008244500000000, -0.0011686200000000, 0.0007786900000000 ] - [ -0.0106732500000000, 0.0000000000000000, 0.0100300700000000 ] - [ -0.0005307100000000, -0.0014409600000000, -0.0001748900000000 ] - [ -0.0005307100000000, 0.0014409600000000, -0.0001748900000000 ] - [ -0.0050923100000000, -0.0015362600000000, 0.0129977000000000 ] - [ -0.0050923100000000, 0.0015362600000000, 0.0129977000000000 ] - [ -0.0002542700000000, 0.0000000000000000, 0.0007985700000000 ] - [ 0.0026371000000000, 0.0000000000000000, 0.0007731300000000 ] - [ 0.0014513300000000, -0.0009963200000000, 0.0003498300000000 ] - [ 0.0014513300000000, 0.0009963200000000, 0.0003498300000000 ] - [ -0.0019517200000000, 0.0000000000000000, -0.0013155000000000 ] - [ -0.0009775300000000, 0.0010484800000000, -0.0010022400000000 ] - [ -0.0009775300000000, -0.0010484800000000, -0.0010022400000000 ] - [ -0.0002540200000000, 0.0000000000000000, -0.0006239000000000 ] - [ -0.0010177000000000, -0.0004231700000000, -0.0005612400000000 ] - [ -0.0010177000000000, 0.0004231700000000, -0.0005612400000000 ] - [ -0.0001688500000000, -0.0000651600000000, 0.0011153700000000 ] - [ -0.0001688500000000, 0.0000651600000000, 0.0011153700000000 ] - [ -0.0000394200000000, 0.0000000000000000, 0.0002249600000000 ] - [ 0.0008413300000000, -0.0006228300000000, -0.0003544900000000 ] - [ 0.0008413300000000, 0.0006228300000000, -0.0003544900000000 ] - [ 0.0004417000000000, 0.0000000000000000, -0.0000774500000000 ] - [ -0.0005977500000000, -0.0003284000000000, 0.0002148200000000 ] - [ -0.0005977500000000, 0.0003284000000000, 0.0002148200000000 ] - [ -0.0004494700000000, 0.0000000000000000, 0.0000095100000000 ] - [ 0.0025006000000000, 0.0000000000000000, 0.0012683000000000 ] - [ 0.0002349200000000, 0.0004541200000000, 0.0002858700000000 ] - [ 0.0002349200000000, -0.0004541200000000, 0.0002858700000000 ] - [ -0.0027920600000000, 0.0001241600000000, 0.0062067200000000 ] - [ -0.0027920600000000, -0.0001241600000000, 0.0062067200000000 ] - [ -0.0006076700000000, 0.0000000000000000, 0.0010840600000000 ]- atom: 7 displacement: [ 0.0033403566784967, 0.0000000000000000, -0.0094256043445724 ] forces: - [ 0.0127651200000000, 0.0146093800000000, 0.0015407100000000 ] - [ 0.0127651200000000, -0.0146093800000000, 0.0015407100000000 ] - [ 0.0004242500000000, 0.0000000000000000, 0.0004567000000000 ] - [ 0.0110187300000000, 0.0000000000000000, -0.0347872700000000 ] - [ 0.0011197600000000, 0.0001196400000000, -0.0028845400000000 ] - [ 0.0011197600000000, -0.0001196400000000, -0.0028845400000000 ] - [ -0.0287525600000000, 0.0000000000000000, 0.1065635200000000 ] - [ -0.0006900500000000, -0.0009245400000000, 0.0046334400000000 ] - [ -0.0006900500000000, 0.0009245400000000, 0.0046334400000000 ] - [ -0.0104241200000000, -0.0141118700000000, -0.0043483000000000 ] - [ -0.0104241200000000, 0.0141118700000000, -0.0043483000000000 ] - [ -0.0006457700000000, 0.0000000000000000, -0.0002086000000000 ] - [ -0.0032757600000000, 0.0000000000000000, 0.0077798600000000 ] - [ -0.0018324800000000, -0.0006065000000000, 0.0022100900000000 ] - [ -0.0018324800000000, 0.0006065000000000, 0.0022100900000000 ] - [ -0.0007894500000000, -0.0005784500000000, -0.0006393100000000 ] - [ -0.0007894500000000, 0.0005784500000000, -0.0006393100000000 ] - [ -0.0004085600000000, 0.0000000000000000, -0.0004679000000000 ] - [ 0.0017817500000000, -0.0004965800000000, 0.0010513700000000 ] - [ 0.0017817500000000, 0.0004965800000000, 0.0010513700000000 ] - [ 0.0008749800000000, 0.0000000000000000, 0.0005847000000000 ] - [ 0.0040185800000000, 0.0000000000000000, -0.0056276100000000 ] - [ 0.0003877500000000, 0.0003022200000000, -0.0030217500000000 ] - [ 0.0003877500000000, -0.0003022200000000, -0.0030217500000000 ] - [ 0.0032338800000000, -0.0076725100000000, -0.0023926900000000 ] - [ 0.0032338800000000, 0.0076725100000000, -0.0023926900000000 ] - [ -0.0002902500000000, 0.0000000000000000, -0.0000028900000000 ] - [ 0.0003161100000000, 0.0000000000000000, -0.0008570300000000 ] - [ 0.0001228300000000, -0.0000006500000000, -0.0003237700000000 ] - [ 0.0001228300000000, 0.0000006500000000, -0.0003237700000000 ] - [ -0.0002516800000000, 0.0000000000000000, 0.0005341400000000 ] - [ -0.0000523100000000, 0.0000190000000000, 0.0002130300000000 ] - [ -0.0000523100000000, -0.0000190000000000, 0.0002130300000000 ] - [ -0.0011551200000000, 0.0016349000000000, -0.0036310000000000 ] - [ -0.0011551200000000, -0.0016349000000000, -0.0036310000000000 ] - [ -0.0000099500000000, 0.0000000000000000, -0.0000777500000000 ] - [ -0.0009594400000000, 0.0008045600000000, 0.0047286100000000 ] - [ -0.0009594400000000, -0.0008045600000000, 0.0047286100000000 ] - [ -0.0001595800000000, 0.0000000000000000, 0.0008254600000000 ] - [ -0.0019101700000000, 0.0003413500000000, 0.0063482900000000 ] - [ -0.0019101700000000, -0.0003413500000000, 0.0063482900000000 ] - [ -0.0000850200000000, 0.0000000000000000, 0.0006983000000000 ] - [ -0.0036845100000000, 0.0000000000000000, -0.0018471300000000 ] - [ 0.0001323900000000, -0.0015724400000000, -0.0002663700000000 ] - [ 0.0001323900000000, 0.0015724400000000, -0.0002663700000000 ] - [ -0.0037685100000000, 0.0000000000000000, -0.0303775100000000 ] - [ -0.0002546200000000, -0.0011692400000000, -0.0007027700000000 ] - [ -0.0002546200000000, 0.0011692400000000, -0.0007027700000000 ] - [ 0.0090408300000000, 0.0000000000000000, -0.0088415600000000 ] - [ 0.0001768000000000, 0.0014351300000000, 0.0001070800000000 ] - [ 0.0001768000000000, -0.0014351300000000, 0.0001070800000000 ] - [ 0.0045976500000000, 0.0016961000000000, -0.0131119200000000 ] - [ 0.0045976500000000, -0.0016961000000000, -0.0131119200000000 ] - [ -0.0003270000000000, 0.0000000000000000, -0.0009021700000000 ] - [ -0.0027962400000000, 0.0000000000000000, -0.0002764300000000 ] - [ -0.0016016900000000, 0.0009897200000000, 0.0001109000000000 ] - [ -0.0016016900000000, -0.0009897200000000, 0.0001109000000000 ] - [ 0.0021296500000000, 0.0000000000000000, 0.0008276200000000 ] - [ 0.0011401000000000, -0.0010511300000000, 0.0005433600000000 ] - [ 0.0011401000000000, 0.0010511300000000, 0.0005433600000000 ] - [ 0.0005982100000000, 0.0000000000000000, 0.0007134800000000 ] - [ 0.0013508000000000, 0.0004196600000000, 0.0006498700000000 ] - [ 0.0013508000000000, -0.0004196600000000, 0.0006498700000000 ] - [ 0.0001633600000000, 0.0000599600000000, -0.0011184500000000 ] - [ 0.0001633600000000, -0.0000599600000000, -0.0011184500000000 ] - [ 0.0000382900000000, 0.0000000000000000, -0.0002256200000000 ] - [ -0.0002808500000000, 0.0006199600000000, 0.0004563800000000 ] - [ -0.0002808500000000, -0.0006199600000000, 0.0004563800000000 ] - [ 0.0001176000000000, 0.0000000000000000, 0.0001779700000000 ] - [ 0.0002725600000000, 0.0003182500000000, -0.0002959600000000 ] - [ 0.0002725600000000, -0.0003182500000000, -0.0002959600000000 ] - [ 0.0001233600000000, 0.0000000000000000, -0.0000888800000000 ] - [ -0.0030658300000000, 0.0000000000000000, -0.0013799900000000 ] - [ -0.0007986000000000, -0.0004543900000000, -0.0003930900000000 ] - [ -0.0007986000000000, 0.0004543900000000, -0.0003930900000000 ] - [ 0.0026870200000000, -0.0002022100000000, -0.0057532400000000 ] - [ 0.0026870200000000, 0.0002022100000000, -0.0057532400000000 ] - [ 0.0004549200000000, 0.0000000000000000, -0.0006133100000000 ]- atom: 25 displacement: [ 0.0099999935342515, 0.0000000000000000, -0.0000113716722062 ] forces: - [ -0.0004252800000000, 0.0000000000000000, -0.0000937800000000 ] - [ -0.0003490700000000, 0.0001036300000000, 0.0001131100000000 ] - [ -0.0003490700000000, -0.0001036300000000, 0.0001131100000000 ] - [ -0.0005899700000000, 0.0005046600000000, 0.0001283300000000 ] - [ 0.0004197900000000, 0.0000000000000000, -0.0004057800000000 ] - [ -0.0005899700000000, -0.0005046600000000, 0.0001283300000000 ] - [ 0.0041679300000000, -0.0037583200000000, -0.0017504700000000 ] - [ 0.0003838700000000, 0.0000000000000000, 0.0005660000000000 ] - [ 0.0041679300000000, 0.0037583200000000, -0.0017504700000000 ] - [ -0.0016319700000000, 0.0000000000000000, -0.0004291600000000 ] - [ -0.0007275600000000, 0.0000645100000000, -0.0003190100000000 ] - [ -0.0007275600000000, -0.0000645100000000, -0.0003190100000000 ] - [ -0.0009247600000000, -0.0004978000000000, 0.0006367500000000 ] - [ 0.0001071800000000, 0.0000000000000000, 0.0001103700000000 ] - [ -0.0009247600000000, 0.0004978000000000, 0.0006367500000000 ] - [ -0.0001157500000000, 0.0000000000000000, -0.0006158600000000 ] - [ -0.0000474500000000, -0.0001001000000000, -0.0004063200000000 ] - [ -0.0000474500000000, 0.0001001000000000, -0.0004063200000000 ] - [ -0.0008927900000000, 0.0000000000000000, 0.0000783200000000 ] - [ 0.0000085300000000, -0.0000539700000000, 0.0001832700000000 ] - [ 0.0000085300000000, 0.0000539700000000, 0.0001832700000000 ] - [ 0.0034715000000000, 0.0038552900000000, -0.0023247700000000 ] - [ -0.0003581200000000, 0.0000000000000000, 0.0000604100000000 ] - [ 0.0034715000000000, -0.0038552900000000, -0.0023247700000000 ] - [ -0.0278866700000000, 0.0000000000000000, 0.0030376300000000 ] - [ 0.0038854900000000, -0.0000029600000000, 0.0005305000000000 ] - [ 0.0038854900000000, 0.0000029600000000, 0.0005305000000000 ] - [ -0.0000367300000000, -0.0000006800000000, -0.0000041300000000 ] - [ -0.0000474600000000, 0.0000000000000000, -0.0000137800000000 ] - [ -0.0000367300000000, 0.0000006800000000, -0.0000041300000000 ] - [ 0.0000166900000000, -0.0000014300000000, 0.0000105500000000 ] - [ -0.0000104500000000, 0.0000000000000000, -0.0000012100000000 ] - [ 0.0000166900000000, 0.0000014300000000, 0.0000105500000000 ] - [ 0.0011554500000000, 0.0000000000000000, -0.0014972000000000 ] - [ -0.0002269600000000, 0.0000014200000000, -0.0000969800000000 ] - [ -0.0002269600000000, -0.0000014200000000, -0.0000969800000000 ] - [ -0.0019455300000000, 0.0000000000000000, 0.0004841500000000 ] - [ -0.0003128100000000, -0.0000888900000000, -0.0005738600000000 ] - [ -0.0003128100000000, 0.0000888900000000, -0.0005738600000000 ] - [ 0.0009383400000000, 0.0000000000000000, 0.0005974500000000 ] - [ 0.0005207700000000, -0.0003911500000000, 0.0001731100000000 ] - [ 0.0005207700000000, 0.0003911500000000, 0.0001731100000000 ] - [ 0.0037067800000000, -0.0001743500000000, 0.0010468600000000 ] - [ -0.0013198900000000, 0.0000000000000000, -0.0001883200000000 ] - [ 0.0037067800000000, 0.0001743500000000, 0.0010468600000000 ] - [ 0.0015806400000000, -0.0003632500000000, 0.0002278700000000 ] - [ 0.0003193400000000, 0.0000000000000000, 0.0000404100000000 ] - [ 0.0015806400000000, 0.0003632500000000, 0.0002278700000000 ] - [ -0.0000352800000000, 0.0000760400000000, 0.0001563200000000 ] - [ -0.0002473500000000, 0.0000000000000000, -0.0000272200000000 ] - [ -0.0000352800000000, -0.0000760400000000, 0.0001563200000000 ] - [ 0.0001623400000000, 0.0000000000000000, -0.0002055900000000 ] - [ -0.0000980200000000, -0.0001572300000000, 0.0000806700000000 ] - [ -0.0000980200000000, 0.0001572300000000, 0.0000806700000000 ] - [ 0.0000994300000000, 0.0000130400000000, 0.0003129000000000 ] - [ 0.0000345600000000, 0.0000000000000000, 0.0002914100000000 ] - [ 0.0000994300000000, -0.0000130400000000, 0.0003129000000000 ] - [ 0.0002637800000000, -0.0000157800000000, -0.0001560300000000 ] - [ 0.0002024900000000, 0.0000000000000000, -0.0001842100000000 ] - [ 0.0002637800000000, 0.0000157800000000, -0.0001560300000000 ] - [ 0.0003059200000000, -0.0000825800000000, 0.0002404700000000 ] - [ 0.0000939800000000, 0.0000000000000000, 0.0000584300000000 ] - [ 0.0003059200000000, 0.0000825800000000, 0.0002404700000000 ] - [ 0.0001321100000000, 0.0000000000000000, 0.0000031900000000 ] - [ 0.0001036500000000, 0.0000073800000000, 0.0000243200000000 ] - [ 0.0001036500000000, -0.0000073800000000, 0.0000243200000000 ] - [ 0.0007349000000000, 0.0000000000000000, -0.0001012700000000 ] - [ 0.0004686900000000, 0.0001592700000000, 0.0001876000000000 ] - [ 0.0004686900000000, -0.0001592700000000, 0.0001876000000000 ] - [ 0.0006043800000000, 0.0000000000000000, 0.0005158900000000 ] - [ 0.0001830400000000, 0.0003887100000000, 0.0000861700000000 ] - [ 0.0001830400000000, -0.0003887100000000, 0.0000861700000000 ] - [ 0.0010124000000000, 0.0003602000000000, 0.0001267200000000 ] - [ -0.0002416900000000, 0.0000000000000000, -0.0000582300000000 ] - [ 0.0010124000000000, -0.0003602000000000, 0.0001267200000000 ] - [ -0.0020961200000000, 0.0000000000000000, 0.0008853500000000 ] - [ -0.0004814500000000, 0.0000906400000000, -0.0000876300000000 ] - [ -0.0004814500000000, -0.0000906400000000, -0.0000876300000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001509500000000, -0.0009952400000000, 0.0002589800000000 ] - [ -0.0004912900000000, 0.0005086800000000, 0.0001788700000000 ] - [ 0.0001907100000000, 0.0005077400000000, 0.0003391700000000 ] - [ -0.0029719400000000, 0.0007153500000000, -0.0076365600000000 ] - [ 0.0001519000000000, 0.0018939000000000, -0.0002553800000000 ] - [ 0.0032512100000000, 0.0006845000000000, 0.0070360100000000 ] - [ -0.0082057200000000, 0.0014536500000000, 0.0053633500000000 ] - [ 0.0003701700000000, 0.0020753400000000, 0.0002471300000000 ] - [ 0.0088459000000000, 0.0014031200000000, -0.0047911200000000 ] - [ -0.0003737100000000, -0.0017142000000000, -0.0002514600000000 ] - [ -0.0009070900000000, 0.0008459100000000, -0.0004626200000000 ] - [ 0.0001753100000000, 0.0008405500000000, -0.0000354900000000 ] - [ 0.0029719400000000, 0.0007153500000000, 0.0076365600000000 ] - [ -0.0001519000000000, 0.0018939000000000, 0.0002553800000000 ] - [ -0.0032512100000000, 0.0006845000000000, -0.0070360100000000 ] - [ 0.0001509500000000, -0.0009952400000000, -0.0002589800000000 ] - [ 0.0004912900000000, 0.0005086800000000, -0.0001788700000000 ] - [ -0.0001907100000000, 0.0005077400000000, -0.0003391700000000 ] - [ 0.0003737100000000, -0.0017142000000000, 0.0002514600000000 ] - [ 0.0009070900000000, 0.0008459100000000, 0.0004626200000000 ] - [ -0.0001753100000000, 0.0008405500000000, 0.0000354900000000 ] - [ 0.0082057200000000, 0.0014536500000000, -0.0053633500000000 ] - [ -0.0003701700000000, 0.0020753400000000, -0.0002471300000000 ] - [ -0.0088459000000000, 0.0014031200000000, 0.0047911200000000 ] - [ 0.0000000000000000, -0.2051411100000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0035170500000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0035166400000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000123400000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0000472400000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000130100000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0000812100000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0001445000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0000815900000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0008489300000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0002871300000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0002877500000000, 0.0000000000000000 ] - [ 0.0000865800000000, 0.0000870000000000, -0.0002450500000000 ] - [ -0.0002342000000000, -0.0012316900000000, 0.0007834100000000 ] - [ 0.0004018800000000, -0.0012241400000000, -0.0012688300000000 ] - [ 0.0001755100000000, 0.0015085700000000, 0.0000488600000000 ] - [ 0.0003672300000000, -0.0006648900000000, 0.0002579900000000 ] - [ -0.0000261100000000, -0.0006649800000000, -0.0001714100000000 ] - [ 0.0000000000000000, 0.0979668200000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0032270800000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0916277900000000, 0.0000000000000000 ] - [ 0.0022698200000000, 0.0007218600000000, 0.0006666800000000 ] - [ 0.0002805800000000, -0.0007123500000000, 0.0000505600000000 ] - [ -0.0017025100000000, 0.0007232500000000, -0.0005615400000000 ] - [ 0.0007377100000000, 0.0001506900000000, 0.0002751500000000 ] - [ -0.0001707000000000, -0.0006588000000000, -0.0000428400000000 ] - [ -0.0010742700000000, 0.0001587900000000, -0.0003609100000000 ] - [ -0.0002759000000000, 0.0017094100000000, -0.0000553200000000 ] - [ 0.0000056400000000, -0.0007405400000000, -0.0001409200000000 ] - [ -0.0005721200000000, -0.0007383500000000, 0.0000371500000000 ] - [ -0.0001434800000000, 0.0001796000000000, 0.0002661200000000 ] - [ -0.0000828900000000, -0.0003835700000000, 0.0002390400000000 ] - [ -0.0000276500000000, 0.0001809700000000, 0.0002220200000000 ] - [ 0.0001434800000000, 0.0001796000000000, -0.0002661200000000 ] - [ 0.0000828900000000, -0.0003835700000000, -0.0002390400000000 ] - [ 0.0000276500000000, 0.0001809700000000, -0.0002220200000000 ] - [ -0.0007377100000000, 0.0001506900000000, -0.0002751500000000 ] - [ 0.0001707000000000, -0.0006588000000000, 0.0000428400000000 ] - [ 0.0010742700000000, 0.0001587900000000, 0.0003609100000000 ] - [ 0.0000000000000000, 0.0001661300000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0000935900000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0001088900000000, 0.0000000000000000 ] - [ 0.0002759000000000, 0.0017094100000000, 0.0000553200000000 ] - [ -0.0000056400000000, -0.0007405400000000, 0.0001409200000000 ] - [ 0.0005721200000000, -0.0007383500000000, -0.0000371500000000 ] - [ -0.0001755100000000, 0.0015085700000000, -0.0000488600000000 ] - [ -0.0003672300000000, -0.0006648900000000, -0.0002579900000000 ] - [ 0.0000261100000000, -0.0006649800000000, 0.0001714100000000 ] - [ -0.0022698200000000, 0.0007218600000000, -0.0006666800000000 ] - [ -0.0002805800000000, -0.0007123500000000, -0.0000505600000000 ] - [ 0.0017025100000000, 0.0007232500000000, 0.0005615400000000 ] - [ -0.0000865800000000, 0.0000870000000000, 0.0002450500000000 ] - [ 0.0002342000000000, -0.0012316900000000, -0.0007834100000000 ] - [ -0.0004018800000000, -0.0012241400000000, 0.0012688300000000 ]- atom: 25 displacement: [ -0.0033403566784967, 0.0000000000000000, 0.0094256043445724 ] forces: - [ -0.0003263800000000, 0.0000000000000000, 0.0010043000000000 ] - [ -0.0002231200000000, -0.0000447400000000, 0.0005267200000000 ] - [ -0.0002231200000000, 0.0000447400000000, 0.0005267200000000 ] - [ 0.0045360600000000, -0.0054398700000000, 0.0034560500000000 ] - [ 0.0000054000000000, 0.0000000000000000, -0.0003746500000000 ] - [ 0.0045360600000000, 0.0054398700000000, 0.0034560500000000 ] - [ -0.0065363000000000, 0.0065899500000000, 0.0013092800000000 ] - [ 0.0005714400000000, 0.0000000000000000, 0.0002107200000000 ] - [ -0.0065363000000000, -0.0065899500000000, 0.0013092800000000 ] - [ -0.0001383600000000, 0.0000000000000000, -0.0007968900000000 ] - [ -0.0002715700000000, -0.0000214800000000, -0.0004504800000000 ] - [ -0.0002715700000000, 0.0000214800000000, -0.0004504800000000 ] - [ 0.0042695900000000, 0.0055482000000000, 0.0039500800000000 ] - [ -0.0003169500000000, 0.0000000000000000, 0.0001208400000000 ] - [ 0.0042695900000000, -0.0055482000000000, 0.0039500800000000 ] - [ -0.0000013700000000, 0.0000000000000000, 0.0004984000000000 ] - [ 0.0000863500000000, 0.0000531600000000, 0.0000161000000000 ] - [ 0.0000863500000000, -0.0000531600000000, 0.0000161000000000 ] - [ 0.0006134400000000, 0.0000000000000000, -0.0002945400000000 ] - [ 0.0004643400000000, 0.0000263600000000, 0.0000451200000000 ] - [ 0.0004643400000000, -0.0000263600000000, 0.0000451200000000 ] - [ -0.0072501500000000, -0.0064613300000000, 0.0008485400000000 ] - [ -0.0001909000000000, 0.0000000000000000, -0.0002815200000000 ] - [ -0.0072501500000000, 0.0064613300000000, 0.0008485400000000 ] - [ 0.0121220400000000, 0.0000000000000000, -0.0234210100000000 ] - [ -0.0007950800000000, -0.0000128400000000, 0.0021892300000000 ] - [ -0.0007950800000000, 0.0000128400000000, 0.0021892300000000 ] - [ 0.0000586600000000, -0.0000011000000000, 0.0000093900000000 ] - [ 0.0000391700000000, 0.0000000000000000, 0.0000043000000000 ] - [ 0.0000586600000000, 0.0000011000000000, 0.0000093900000000 ] - [ 0.0000048000000000, 0.0000003300000000, -0.0000035500000000 ] - [ 0.0000025500000000, 0.0000000000000000, 0.0000012100000000 ] - [ 0.0000048000000000, -0.0000003300000000, -0.0000035500000000 ] - [ -0.0033190700000000, 0.0000000000000000, 0.0060938000000000 ] - [ 0.0000407500000000, -0.0000016000000000, 0.0000149400000000 ] - [ 0.0000407500000000, 0.0000016000000000, 0.0000149400000000 ] - [ 0.0019630000000000, 0.0000000000000000, -0.0044481400000000 ] - [ -0.0001206000000000, 0.0003225800000000, 0.0003836300000000 ] - [ -0.0001206000000000, -0.0003225800000000, 0.0003836300000000 ] - [ -0.0009114700000000, 0.0000000000000000, -0.0004046400000000 ] - [ -0.0002063000000000, 0.0005393000000000, -0.0001705800000000 ] - [ -0.0002063000000000, -0.0005393000000000, -0.0001705800000000 ] - [ -0.0001709300000000, -0.0000766300000000, 0.0002921200000000 ] - [ 0.0002173700000000, 0.0000000000000000, -0.0006330900000000 ] - [ -0.0001709300000000, 0.0000766300000000, 0.0002921200000000 ] - [ -0.0000291900000000, 0.0000062300000000, 0.0008298100000000 ] - [ 0.0002278000000000, 0.0000000000000000, 0.0002106000000000 ] - [ -0.0000291900000000, -0.0000062300000000, 0.0008298100000000 ] - [ -0.0000649700000000, 0.0000625500000000, -0.0006914000000000 ] - [ -0.0000963400000000, 0.0000000000000000, -0.0002184200000000 ] - [ -0.0000649700000000, -0.0000625500000000, -0.0006914000000000 ] - [ 0.0008636700000000, 0.0000000000000000, 0.0002275400000000 ] - [ 0.0001290400000000, -0.0005193300000000, -0.0000385900000000 ] - [ 0.0001290400000000, 0.0005193300000000, -0.0000385900000000 ] - [ -0.0001118300000000, 0.0000018800000000, 0.0001982000000000 ] - [ -0.0001130800000000, 0.0000000000000000, 0.0001840600000000 ] - [ -0.0001118300000000, -0.0000018800000000, 0.0001982000000000 ] - [ 0.0000397400000000, -0.0000045400000000, -0.0002520300000000 ] - [ 0.0000294700000000, 0.0000000000000000, -0.0002447700000000 ] - [ 0.0000397400000000, 0.0000045400000000, -0.0002520300000000 ] - [ 0.0002697500000000, -0.0000778300000000, -0.0006092400000000 ] - [ 0.0002523600000000, 0.0000000000000000, -0.0001281100000000 ] - [ 0.0002697500000000, 0.0000778300000000, -0.0006092400000000 ] - [ 0.0001132400000000, 0.0000000000000000, 0.0000359800000000 ] - [ 0.0000280400000000, -0.0000061600000000, 0.0000050800000000 ] - [ 0.0000280400000000, 0.0000061600000000, 0.0000050800000000 ] - [ 0.0014229600000000, 0.0000000000000000, 0.0003196200000000 ] - [ 0.0006934000000000, 0.0005062000000000, 0.0000645300000000 ] - [ 0.0006934000000000, -0.0005062000000000, 0.0000645300000000 ] - [ -0.0012651700000000, 0.0000000000000000, -0.0004897500000000 ] - [ -0.0005502100000000, -0.0005563300000000, -0.0002578900000000 ] - [ -0.0005502100000000, 0.0005563300000000, -0.0002578900000000 ] - [ -0.0005957000000000, -0.0000263400000000, 0.0007298400000000 ] - [ -0.0003265600000000, 0.0000000000000000, 0.0001109000000000 ] - [ -0.0005957000000000, 0.0000263400000000, 0.0007298400000000 ] - [ 0.0017739900000000, 0.0000000000000000, -0.0038841800000000 ] - [ -0.0003006600000000, -0.0003313500000000, 0.0009038100000000 ] - [ -0.0003006600000000, 0.0003313500000000, 0.0009038100000000 ]- atom: 28 displacement: [ 0.0099999935342515, 0.0000000000000000, -0.0000113716722062 ] forces: - [ 0.0033818700000000, -0.0034390300000000, -0.0016673900000000 ] - [ 0.0033818700000000, 0.0034390300000000, -0.0016673900000000 ] - [ -0.0001969900000000, 0.0000000000000000, 0.0001430800000000 ] - [ 0.0007776300000000, 0.0000000000000000, 0.0004642100000000 ] - [ 0.0004096400000000, 0.0006371900000000, 0.0000143200000000 ] - [ 0.0004096400000000, -0.0006371900000000, 0.0000143200000000 ] - [ 0.0006197600000000, 0.0000000000000000, 0.0000056500000000 ] - [ 0.0005140700000000, 0.0000161400000000, 0.0001752000000000 ] - [ 0.0005140700000000, -0.0000161400000000, 0.0001752000000000 ] - [ -0.0026466200000000, 0.0013443600000000, 0.0001970200000000 ] - [ -0.0026466200000000, -0.0013443600000000, 0.0001970200000000 ] - [ -0.0003914700000000, 0.0000000000000000, -0.0002419000000000 ] - [ 0.0004541900000000, 0.0000000000000000, 0.0009782000000000 ] - [ 0.0000970300000000, -0.0006243000000000, 0.0005316900000000 ] - [ 0.0000970300000000, 0.0006243000000000, 0.0005316900000000 ] - [ 0.0036696900000000, 0.0034058600000000, -0.0021229900000000 ] - [ 0.0036696900000000, -0.0034058600000000, -0.0021229900000000 ] - [ 0.0001184900000000, 0.0000000000000000, -0.0003664500000000 ] - [ -0.0018544800000000, -0.0013331600000000, 0.0006853700000000 ] - [ -0.0018544800000000, 0.0013331600000000, 0.0006853700000000 ] - [ 0.0003573500000000, 0.0000000000000000, 0.0002594600000000 ] - [ -0.0001133900000000, 0.0000000000000000, -0.0004955900000000 ] - [ -0.0002188100000000, -0.0000175400000000, -0.0003267900000000 ] - [ -0.0002188100000000, 0.0000175400000000, -0.0003267900000000 ] - [ -0.0000371000000000, -0.0000004900000000, 0.0000496800000000 ] - [ -0.0000371000000000, 0.0000004900000000, 0.0000496800000000 ] - [ -0.0000474800000000, 0.0000000000000000, 0.0000252400000000 ] - [ -0.0728587100000000, 0.0000000000000000, 0.0959910300000000 ] - [ 0.0000592500000000, 0.0000062300000000, 0.0000544600000000 ] - [ 0.0000592500000000, -0.0000062300000000, 0.0000544600000000 ] - [ 0.0011531700000000, 0.0000000000000000, -0.0031345800000000 ] - [ -0.0002270200000000, -0.0000031200000000, -0.0000363100000000 ] - [ -0.0002270200000000, 0.0000031200000000, -0.0000363100000000 ] - [ 0.0000584100000000, 0.0000001100000000, -0.0000692800000000 ] - [ 0.0000584100000000, -0.0000001100000000, -0.0000692800000000 ] - [ 0.0000338900000000, 0.0000000000000000, -0.0000671000000000 ] - [ -0.0001530200000000, 0.0000449500000000, -0.0002816700000000 ] - [ -0.0001530200000000, -0.0000449500000000, -0.0002816700000000 ] - [ -0.0001483800000000, 0.0000000000000000, -0.0002485700000000 ] - [ 0.0001309700000000, 0.0001071300000000, -0.0003418700000000 ] - [ 0.0001309700000000, -0.0001071300000000, -0.0003418700000000 ] - [ 0.0003525000000000, 0.0000000000000000, 0.0000170100000000 ] - [ -0.0000354700000000, 0.0000000000000000, -0.0001139200000000 ] - [ -0.0000027700000000, -0.0000030600000000, -0.0000901000000000 ] - [ -0.0000027700000000, 0.0000030600000000, -0.0000901000000000 ] - [ 0.0013819600000000, 0.0000000000000000, 0.0002845000000000 ] - [ 0.0008162500000000, 0.0005051300000000, -0.0000284600000000 ] - [ 0.0008162500000000, -0.0005051300000000, -0.0000284600000000 ] - [ -0.0007221100000000, 0.0000000000000000, 0.0002116800000000 ] - [ -0.0003330000000000, -0.0001838800000000, 0.0000311500000000 ] - [ -0.0003330000000000, 0.0001838800000000, 0.0000311500000000 ] - [ -0.0003570100000000, 0.0001470600000000, 0.0003453300000000 ] - [ -0.0003570100000000, -0.0001470600000000, 0.0003453300000000 ] - [ -0.0003833500000000, 0.0000000000000000, 0.0000373400000000 ] - [ 0.0318576300000000, 0.0000000000000000, -0.0460522100000000 ] - [ 0.0000063200000000, -0.0001300300000000, 0.0002468500000000 ] - [ 0.0000063200000000, 0.0001300300000000, 0.0002468500000000 ] - [ 0.0321564300000000, 0.0000000000000000, -0.0454058600000000 ] - [ 0.0001736400000000, 0.0001313900000000, -0.0002349800000000 ] - [ 0.0001736400000000, -0.0001313900000000, -0.0002349800000000 ] - [ -0.0003986100000000, 0.0000000000000000, 0.0002915300000000 ] - [ 0.0000038000000000, 0.0001839100000000, 0.0001092800000000 ] - [ 0.0000038000000000, -0.0001839100000000, 0.0001092800000000 ] - [ -0.0007881300000000, -0.0000426700000000, 0.0011018800000000 ] - [ -0.0007881300000000, 0.0000426700000000, 0.0011018800000000 ] - [ 0.0000739000000000, 0.0000000000000000, 0.0000538300000000 ] - [ 0.0001918000000000, -0.0001464300000000, 0.0004495500000000 ] - [ 0.0001918000000000, 0.0001464300000000, 0.0004495500000000 ] - [ 0.0001722500000000, 0.0000000000000000, 0.0001377700000000 ] - [ -0.0001813100000000, -0.0000897600000000, -0.0004244300000000 ] - [ -0.0001813100000000, 0.0000897600000000, -0.0004244300000000 ] - [ 0.0000043600000000, 0.0000000000000000, -0.0000733000000000 ] - [ 0.0008044700000000, 0.0000000000000000, 0.0001840800000000 ] - [ 0.0002461800000000, -0.0005087400000000, -0.0001235400000000 ] - [ 0.0002461800000000, 0.0005087400000000, -0.0001235400000000 ] - [ -0.0003141600000000, -0.0000438900000000, 0.0001956000000000 ] - [ -0.0003141600000000, 0.0000438900000000, 0.0001956000000000 ] - [ -0.0003130400000000, 0.0000000000000000, 0.0002357300000000 ]- atom: 28 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0005276000000000, 0.0011437700000000, 0.0012207500000000 ] - [ 0.0002277200000000, 0.0011452300000000, -0.0007476500000000 ] - [ -0.0001568300000000, -0.0006781300000000, 0.0002541900000000 ] - [ 0.0001635200000000, -0.0003197500000000, -0.0002548600000000 ] - [ 0.0001185700000000, 0.0000841300000000, -0.0002527600000000 ] - [ 0.0001962000000000, 0.0000794900000000, -0.0002590100000000 ] - [ 0.0003672500000000, 0.0004306300000000, 0.0002508400000000 ] - [ 0.0002004200000000, -0.0002201200000000, 0.0001897600000000 ] - [ 0.0005409300000000, -0.0002156500000000, 0.0003110700000000 ] - [ -0.0001579200000000, 0.0017284500000000, -0.0018912400000000 ] - [ -0.0005973400000000, 0.0017421800000000, 0.0014467700000000 ] - [ -0.0003733100000000, -0.0007088700000000, -0.0002487600000000 ] - [ -0.0001635200000000, -0.0003197500000000, 0.0002548600000000 ] - [ -0.0001185700000000, 0.0000841300000000, 0.0002527600000000 ] - [ -0.0001962000000000, 0.0000794900000000, 0.0002590100000000 ] - [ 0.0005276000000000, 0.0011437700000000, -0.0012207500000000 ] - [ -0.0002277200000000, 0.0011452300000000, 0.0007476500000000 ] - [ 0.0001568300000000, -0.0006781300000000, -0.0002541900000000 ] - [ 0.0001579200000000, 0.0017284500000000, 0.0018912400000000 ] - [ 0.0005973400000000, 0.0017421800000000, -0.0014467700000000 ] - [ 0.0003733100000000, -0.0007088700000000, 0.0002487600000000 ] - [ -0.0003672500000000, 0.0004306300000000, -0.0002508400000000 ] - [ -0.0002004200000000, -0.0002201200000000, -0.0001897600000000 ] - [ -0.0005409300000000, -0.0002156500000000, -0.0003110700000000 ] - [ 0.0000000000000000, 0.0000138900000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000123800000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0000491500000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0301301900000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0022087500000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0021629600000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0008487700000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0002896100000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0002852900000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0000072200000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0000068700000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0000101900000000, 0.0000000000000000 ] - [ 0.0001300000000000, -0.0000428400000000, -0.0002455500000000 ] - [ 0.0000341200000000, -0.0000420000000000, -0.0002360100000000 ] - [ 0.0000784200000000, 0.0000317800000000, -0.0002317500000000 ] - [ -0.0004576300000000, -0.0000112800000000, -0.0002219900000000 ] - [ 0.0007719600000000, -0.0000334300000000, 0.0003011500000000 ] - [ 0.0001692000000000, 0.0001777700000000, 0.0000434100000000 ] - [ 0.0000000000000000, -0.0000468000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000037700000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0000061000000000, 0.0000000000000000 ] - [ 0.0002891900000000, -0.0004694900000000, 0.0000475700000000 ] - [ 0.0005360300000000, 0.0004374000000000, 0.0000633700000000 ] - [ 0.0000352500000000, 0.0004391400000000, 0.0000350000000000 ] - [ -0.0001663800000000, -0.0003654300000000, -0.0000366700000000 ] - [ 0.0000448700000000, 0.0004418900000000, 0.0000937800000000 ] - [ -0.0003820500000000, 0.0004417700000000, -0.0001738600000000 ] - [ -0.0008570800000000, -0.0001858800000000, -0.0003838700000000 ] - [ 0.0003028900000000, -0.0001885500000000, 0.0002827700000000 ] - [ -0.0002807200000000, 0.0001895400000000, -0.0000513700000000 ] - [ -0.0001836800000000, 0.0088994500000000, 0.0004737400000000 ] - [ 0.0001923900000000, 0.0010803700000000, -0.0003859500000000 ] - [ -0.0003520900000000, 0.0010598200000000, 0.0008490200000000 ] - [ 0.0001836800000000, 0.0088994500000000, -0.0004737400000000 ] - [ -0.0001923900000000, 0.0010803700000000, 0.0003859500000000 ] - [ 0.0003520900000000, 0.0010598200000000, -0.0008490200000000 ] - [ 0.0001663800000000, -0.0003654300000000, 0.0000366700000000 ] - [ -0.0000448700000000, 0.0004418900000000, -0.0000937800000000 ] - [ 0.0003820500000000, 0.0004417700000000, 0.0001738600000000 ] - [ 0.0000000000000000, 0.0016989000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0017352300000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0004449600000000, 0.0000000000000000 ] - [ 0.0008570800000000, -0.0001858800000000, 0.0003838700000000 ] - [ -0.0003028900000000, -0.0001885500000000, -0.0002827700000000 ] - [ 0.0002807200000000, 0.0001895400000000, 0.0000513700000000 ] - [ 0.0004576300000000, -0.0000112800000000, 0.0002219900000000 ] - [ -0.0007719600000000, -0.0000334300000000, -0.0003011500000000 ] - [ -0.0001692000000000, 0.0001777700000000, -0.0000434100000000 ] - [ -0.0002891900000000, -0.0004694900000000, -0.0000475700000000 ] - [ -0.0005360300000000, 0.0004374000000000, -0.0000633700000000 ] - [ -0.0000352500000000, 0.0004391400000000, -0.0000350000000000 ] - [ -0.0001300000000000, -0.0000428400000000, 0.0002455500000000 ] - [ -0.0000341200000000, -0.0000420000000000, 0.0002360100000000 ] - [ -0.0000784200000000, 0.0000317800000000, 0.0002317500000000 ]- atom: 28 displacement: [ -0.0033403566784967, 0.0000000000000000, 0.0094256043445724 ] forces: - [ -0.0063136400000000, 0.0065026600000000, 0.0008178800000000 ] - [ -0.0063136400000000, -0.0065026600000000, 0.0008178800000000 ] - [ -0.0000415800000000, 0.0000000000000000, 0.0003888800000000 ] - [ 0.0002456400000000, 0.0000000000000000, -0.0013849700000000 ] - [ 0.0001779700000000, -0.0000836500000000, -0.0006038900000000 ] - [ 0.0001779700000000, 0.0000836500000000, -0.0006038900000000 ] - [ -0.0000264000000000, 0.0000000000000000, 0.0010747400000000 ] - [ 0.0001905400000000, -0.0000458300000000, 0.0005483200000000 ] - [ 0.0001905400000000, 0.0000458300000000, 0.0005483200000000 ] - [ 0.0045813200000000, -0.0070713700000000, 0.0047495300000000 ] - [ 0.0045813200000000, 0.0070713700000000, 0.0047495300000000 ] - [ -0.0004073200000000, 0.0000000000000000, -0.0002008700000000 ] - [ -0.0000624600000000, 0.0000000000000000, -0.0008685400000000 ] - [ -0.0001266300000000, 0.0000832600000000, -0.0000842800000000 ] - [ -0.0001266300000000, -0.0000832600000000, -0.0000842800000000 ] - [ -0.0060866000000000, -0.0065828000000000, 0.0003119700000000 ] - [ -0.0060866000000000, 0.0065828000000000, 0.0003119700000000 ] - [ 0.0002673600000000, 0.0000000000000000, -0.0001302500000000 ] - [ 0.0052542300000000, 0.0069691100000000, 0.0051722500000000 ] - [ 0.0052542300000000, -0.0069691100000000, 0.0051722500000000 ] - [ 0.0003330000000000, 0.0000000000000000, 0.0003039700000000 ] - [ -0.0007675300000000, 0.0000000000000000, 0.0005731400000000 ] - [ -0.0005475800000000, 0.0000475800000000, 0.0000454700000000 ] - [ -0.0005475800000000, -0.0000475800000000, 0.0000454700000000 ] - [ 0.0000096000000000, -0.0000003700000000, -0.0000116300000000 ] - [ 0.0000096000000000, 0.0000003700000000, -0.0000116300000000 ] - [ 0.0000030300000000, 0.0000000000000000, -0.0000104000000000 ] - [ 0.1145316100000000, 0.0000000000000000, -0.2783311200000000 ] - [ 0.0000336200000000, 0.0000073400000000, -0.0000188800000000 ] - [ 0.0000336200000000, -0.0000073400000000, -0.0000188800000000 ] - [ -0.0017749300000000, 0.0000000000000000, 0.0066346500000000 ] - [ -0.0000153700000000, -0.0000005900000000, -0.0000083900000000 ] - [ -0.0000153700000000, 0.0000005900000000, -0.0000083900000000 ] - [ -0.0000849500000000, 0.0000000000000000, -0.0000262500000000 ] - [ -0.0000849500000000, 0.0000000000000000, -0.0000262500000000 ] - [ -0.0000753800000000, 0.0000000000000000, -0.0000173000000000 ] - [ 0.0001719700000000, -0.0000098100000000, -0.0002021000000000 ] - [ 0.0001719700000000, 0.0000098100000000, -0.0002021000000000 ] - [ 0.0001625700000000, 0.0000000000000000, -0.0002226500000000 ] - [ -0.0001168700000000, -0.0000774900000000, 0.0010006500000000 ] - [ -0.0001168700000000, 0.0000774900000000, 0.0010006500000000 ] - [ 0.0000825400000000, 0.0000000000000000, 0.0002102100000000 ] - [ -0.0000965100000000, 0.0000000000000000, -0.0000527100000000 ] - [ -0.0000161900000000, 0.0000085800000000, -0.0000105300000000 ] - [ -0.0000161900000000, -0.0000085800000000, -0.0000105300000000 ] - [ -0.0011800500000000, 0.0000000000000000, -0.0004697200000000 ] - [ -0.0004155400000000, -0.0007849900000000, -0.0000517900000000 ] - [ -0.0004155400000000, 0.0007849900000000, -0.0000517900000000 ] - [ 0.0016270300000000, 0.0000000000000000, 0.0003864600000000 ] - [ 0.0005307000000000, 0.0009085400000000, 0.0003219300000000 ] - [ 0.0005307000000000, -0.0009085400000000, 0.0003219300000000 ] - [ 0.0000902500000000, 0.0000192700000000, -0.0007854300000000 ] - [ 0.0000902500000000, -0.0000192700000000, -0.0007854300000000 ] - [ -0.0002050200000000, 0.0000000000000000, -0.0003185400000000 ] - [ -0.0525345400000000, 0.0000000000000000, 0.1227805000000000 ] - [ -0.0002115700000000, 0.0003228300000000, 0.0003303600000000 ] - [ -0.0002115700000000, -0.0003228300000000, 0.0003303600000000 ] - [ -0.0558896500000000, 0.0000000000000000, 0.1302750400000000 ] - [ -0.0000449000000000, -0.0003235900000000, -0.0001499900000000 ] - [ -0.0000449000000000, 0.0003235900000000, -0.0001499900000000 ] - [ 0.0019714300000000, 0.0000000000000000, 0.0004700600000000 ] - [ 0.0008722100000000, -0.0009125500000000, 0.0004080600000000 ] - [ 0.0008722100000000, 0.0009125500000000, 0.0004080600000000 ] - [ 0.0005540900000000, -0.0000066300000000, -0.0023789200000000 ] - [ 0.0005540900000000, 0.0000066300000000, -0.0023789200000000 ] - [ 0.0000258400000000, 0.0000000000000000, -0.0001094900000000 ] - [ 0.0006562500000000, -0.0000161000000000, -0.0006863300000000 ] - [ 0.0006562500000000, 0.0000161000000000, -0.0006863300000000 ] - [ 0.0003616400000000, 0.0000000000000000, -0.0002182200000000 ] - [ -0.0004504900000000, 0.0000811100000000, 0.0009184100000000 ] - [ -0.0004504900000000, -0.0000811100000000, 0.0009184100000000 ] - [ -0.0002574400000000, 0.0000000000000000, 0.0001269100000000 ] - [ -0.0017451800000000, 0.0000000000000000, -0.0005730700000000 ] - [ -0.0009773900000000, 0.0007820200000000, -0.0001525300000000 ] - [ -0.0009773900000000, -0.0007820200000000, -0.0001525300000000 ] - [ 0.0000099300000000, 0.0000115600000000, 0.0002669800000000 ] - [ 0.0000099300000000, -0.0000115600000000, 0.0002669800000000 ] - [ 0.0000023200000000, 0.0000000000000000, 0.0002415400000000 ]- atom: 37 displacement: [ 0.0099999935342515, 0.0000000000000000, -0.0000113716722062 ] forces: - [ -0.0011373700000000, 0.0000000000000000, -0.0034419500000000 ] - [ -0.0008143400000000, 0.0004023500000000, -0.0017069100000000 ] - [ -0.0008143400000000, -0.0004023500000000, -0.0017069100000000 ] - [ 0.0041004200000000, 0.0056380700000000, -0.0005881500000000 ] - [ 0.0027018700000000, 0.0000000000000000, 0.0004927600000000 ] - [ 0.0041004200000000, -0.0056380700000000, -0.0005881500000000 ] - [ 0.0023206300000000, -0.0013052900000000, 0.0020498200000000 ] - [ 0.0011438600000000, 0.0000000000000000, 0.0007763700000000 ] - [ 0.0023206300000000, 0.0013052900000000, 0.0020498200000000 ] - [ -0.0034751900000000, 0.0000000000000000, 0.0015143900000000 ] - [ -0.0024203100000000, 0.0004416900000000, 0.0006397200000000 ] - [ -0.0024203100000000, -0.0004416900000000, 0.0006397200000000 ] - [ 0.0001850500000000, -0.0009101500000000, 0.0025026200000000 ] - [ 0.0004792000000000, 0.0000000000000000, 0.0009384400000000 ] - [ 0.0001850500000000, 0.0009101500000000, 0.0025026200000000 ] - [ -0.0038340900000000, 0.0000000000000000, 0.0008844200000000 ] - [ -0.0019407700000000, -0.0008192800000000, 0.0002025400000000 ] - [ -0.0019407700000000, 0.0008192800000000, 0.0002025400000000 ] - [ -0.0012100000000000, 0.0000000000000000, -0.0024830700000000 ] - [ -0.0009337000000000, -0.0005368800000000, -0.0013337800000000 ] - [ -0.0009337000000000, 0.0005368800000000, -0.0013337800000000 ] - [ 0.0036594000000000, -0.0062777300000000, -0.0016989800000000 ] - [ 0.0020010800000000, 0.0000000000000000, 0.0000290100000000 ] - [ 0.0036594000000000, 0.0062777300000000, -0.0016989800000000 ] - [ -0.0020258800000000, 0.0000000000000000, 0.0012619100000000 ] - [ -0.0003897600000000, 0.0003255800000000, -0.0003635000000000 ] - [ -0.0003897600000000, -0.0003255800000000, -0.0003635000000000 ] - [ -0.0002267400000000, 0.0000436000000000, 0.0000123800000000 ] - [ -0.0002249300000000, 0.0000000000000000, 0.0000066700000000 ] - [ -0.0002267400000000, -0.0000436000000000, 0.0000123800000000 ] - [ 0.0001857400000000, -0.0000587500000000, 0.0000254100000000 ] - [ 0.0001229800000000, 0.0000000000000000, -0.0000025000000000 ] - [ 0.0001857400000000, 0.0000587500000000, 0.0000254100000000 ] - [ 0.0319216100000000, 0.0000000000000000, -0.0467142800000000 ] - [ 0.0000934400000000, 0.0002715800000000, -0.0001039000000000 ] - [ 0.0000934400000000, -0.0002715800000000, -0.0001039000000000 ] - [ -0.0678758100000000, 0.0000000000000000, 0.0455550700000000 ] - [ -0.0022903200000000, -0.0000905300000000, -0.0005369500000000 ] - [ -0.0022903200000000, 0.0000905300000000, -0.0005369500000000 ] - [ 0.0096584200000000, 0.0000000000000000, 0.0026719500000000 ] - [ 0.0039580800000000, -0.0058004000000000, 0.0019919700000000 ] - [ 0.0039580800000000, 0.0058004000000000, 0.0019919700000000 ] - [ -0.0014554300000000, -0.0035293400000000, -0.0025678500000000 ] - [ -0.0004392300000000, 0.0000000000000000, -0.0000383300000000 ] - [ -0.0014554300000000, 0.0035293400000000, -0.0025678500000000 ] - [ 0.0020532600000000, -0.0002738800000000, -0.0023942100000000 ] - [ 0.0003320200000000, 0.0000000000000000, -0.0007067700000000 ] - [ 0.0020532600000000, 0.0002738800000000, -0.0023942100000000 ] - [ -0.0009148400000000, -0.0004043900000000, 0.0027266700000000 ] - [ -0.0009245500000000, 0.0000000000000000, 0.0004174200000000 ] - [ -0.0009148400000000, 0.0004043900000000, 0.0027266700000000 ] - [ -0.0011256300000000, 0.0000000000000000, -0.0003448600000000 ] - [ -0.0005732200000000, -0.0000810100000000, -0.0001369600000000 ] - [ -0.0005732200000000, 0.0000810100000000, -0.0001369600000000 ] - [ 0.0007996200000000, 0.0000158100000000, 0.0008736300000000 ] - [ 0.0006320600000000, 0.0000000000000000, 0.0008428500000000 ] - [ 0.0007996200000000, -0.0000158100000000, 0.0008736300000000 ] - [ 0.0013171400000000, 0.0000689300000000, -0.0001382300000000 ] - [ 0.0011746100000000, 0.0000000000000000, -0.0002303800000000 ] - [ 0.0013171400000000, -0.0000689300000000, -0.0001382300000000 ] - [ 0.0027573600000000, 0.0013858000000000, -0.0012973500000000 ] - [ 0.0000069000000000, 0.0000000000000000, -0.0006803500000000 ] - [ 0.0027573600000000, -0.0013858000000000, -0.0012973500000000 ] - [ 0.0014158700000000, 0.0000000000000000, 0.0003946700000000 ] - [ 0.0007331000000000, -0.0000524100000000, 0.0002239400000000 ] - [ 0.0007331000000000, 0.0000524100000000, 0.0002239400000000 ] - [ 0.0083719400000000, 0.0000000000000000, 0.0047768100000000 ] - [ 0.0035487100000000, 0.0050911600000000, 0.0008270100000000 ] - [ 0.0035487100000000, -0.0050911600000000, 0.0008270100000000 ] - [ -0.0000841600000000, 0.0000000000000000, -0.0004477000000000 ] - [ 0.0001081300000000, 0.0004974500000000, -0.0001424500000000 ] - [ 0.0001081300000000, -0.0004974500000000, -0.0001424500000000 ] - [ -0.0003157100000000, 0.0003694200000000, 0.0025141100000000 ] - [ -0.0007194100000000, 0.0000000000000000, 0.0004558800000000 ] - [ -0.0003157100000000, -0.0003694200000000, 0.0025141100000000 ] - [ -0.0033380400000000, 0.0000000000000000, -0.0079479000000000 ] - [ -0.0003189900000000, -0.0000280500000000, -0.0005708600000000 ] - [ -0.0003189900000000, 0.0000280500000000, -0.0005708600000000 ]- atom: 37 displacement: [ -0.0099999935342515, 0.0000000000000000, 0.0000113716722062 ] forces: - [ 0.0008233400000000, 0.0000000000000000, 0.0039965400000000 ] - [ 0.0005020300000000, -0.0004056000000000, 0.0022304500000000 ] - [ 0.0005020300000000, 0.0004056000000000, 0.0022304500000000 ] - [ -0.0040919800000000, -0.0053756200000000, 0.0000345700000000 ] - [ -0.0024116400000000, 0.0000000000000000, -0.0010141500000000 ] - [ -0.0040919800000000, 0.0053756200000000, 0.0000345700000000 ] - [ -0.0016226300000000, 0.0013268200000000, -0.0015635400000000 ] - [ -0.0004161300000000, 0.0000000000000000, -0.0002799300000000 ] - [ -0.0016226300000000, -0.0013268200000000, -0.0015635400000000 ] - [ 0.0027465500000000, 0.0000000000000000, -0.0020443900000000 ] - [ 0.0016812300000000, -0.0004492200000000, -0.0011484800000000 ] - [ 0.0016812300000000, 0.0004492200000000, -0.0011484800000000 ] - [ -0.0004566100000000, 0.0009326000000000, -0.0019842900000000 ] - [ -0.0007790200000000, 0.0000000000000000, -0.0004238500000000 ] - [ -0.0004566100000000, -0.0009326000000000, -0.0019842900000000 ] - [ 0.0041384400000000, 0.0000000000000000, -0.0013765300000000 ] - [ 0.0022599400000000, 0.0008127200000000, -0.0007179000000000 ] - [ 0.0022599400000000, -0.0008127200000000, -0.0007179000000000 ] - [ 0.0019575100000000, 0.0000000000000000, 0.0029686600000000 ] - [ 0.0016770700000000, 0.0005331400000000, 0.0018397600000000 ] - [ 0.0016770700000000, -0.0005331400000000, 0.0018397600000000 ] - [ -0.0042337700000000, 0.0064743100000000, 0.0013294700000000 ] - [ -0.0027388600000000, 0.0000000000000000, -0.0005256000000000 ] - [ -0.0042337700000000, -0.0064743100000000, 0.0013294700000000 ] - [ 0.0020063600000000, 0.0000000000000000, -0.0012807700000000 ] - [ 0.0003943400000000, -0.0003215800000000, 0.0003672500000000 ] - [ 0.0003943400000000, 0.0003215800000000, 0.0003672500000000 ] - [ 0.0002287500000000, -0.0000460500000000, -0.0000105200000000 ] - [ 0.0002269700000000, 0.0000000000000000, -0.0000047600000000 ] - [ 0.0002287500000000, 0.0000460500000000, -0.0000105200000000 ] - [ -0.0001862800000000, 0.0000552000000000, -0.0000264100000000 ] - [ -0.0001244100000000, 0.0000000000000000, 0.0000023700000000 ] - [ -0.0001862800000000, -0.0000552000000000, -0.0000264100000000 ] - [ -0.0321003900000000, 0.0000000000000000, 0.0458706100000000 ] - [ -0.0000961400000000, -0.0002790000000000, 0.0001065000000000 ] - [ -0.0000961400000000, 0.0002790000000000, 0.0001065000000000 ] - [ 0.0685998000000000, 0.0000000000000000, -0.0453262600000000 ] - [ 0.0024613400000000, 0.0000908100000000, 0.0000620800000000 ] - [ 0.0024613400000000, -0.0000908100000000, 0.0000620800000000 ] - [ -0.0094926000000000, 0.0000000000000000, -0.0026361100000000 ] - [ -0.0036505800000000, 0.0058435200000000, -0.0019221700000000 ] - [ -0.0036505800000000, -0.0058435200000000, -0.0019221700000000 ] - [ 0.0014753500000000, 0.0035210500000000, 0.0025827800000000 ] - [ 0.0004387100000000, 0.0000000000000000, 0.0000380500000000 ] - [ 0.0014753500000000, -0.0035210500000000, 0.0025827800000000 ] - [ -0.0014933300000000, 0.0002806700000000, 0.0025186100000000 ] - [ 0.0002376500000000, 0.0000000000000000, 0.0008152000000000 ] - [ -0.0014933300000000, -0.0002806700000000, 0.0025186100000000 ] - [ 0.0005950400000000, 0.0004107500000000, -0.0028319600000000 ] - [ 0.0005947400000000, 0.0000000000000000, -0.0005032100000000 ] - [ 0.0005950400000000, -0.0004107500000000, -0.0028319600000000 ] - [ 0.0005835800000000, 0.0000000000000000, 0.0002484200000000 ] - [ 0.0000181100000000, 0.0000777700000000, 0.0000397900000000 ] - [ 0.0000181100000000, -0.0000777700000000, 0.0000397900000000 ] - [ -0.0009642800000000, -0.0000118100000000, -0.0004066400000000 ] - [ -0.0008015100000000, 0.0000000000000000, -0.0003642100000000 ] - [ -0.0009642800000000, 0.0000118100000000, -0.0004066400000000 ] - [ -0.0011567200000000, -0.0000654000000000, -0.0003368200000000 ] - [ -0.0010112600000000, 0.0000000000000000, -0.0002490400000000 ] - [ -0.0011567200000000, 0.0000654000000000, -0.0003368200000000 ] - [ -0.0024170900000000, -0.0013783200000000, 0.0013660400000000 ] - [ 0.0003239100000000, 0.0000000000000000, 0.0007627100000000 ] - [ -0.0024170900000000, 0.0013783200000000, 0.0013660400000000 ] - [ -0.0014127700000000, 0.0000000000000000, -0.0003954600000000 ] - [ -0.0007341900000000, 0.0000678700000000, -0.0002246600000000 ] - [ -0.0007341900000000, -0.0000678700000000, -0.0002246600000000 ] - [ -0.0076929500000000, 0.0000000000000000, -0.0045829300000000 ] - [ -0.0029777300000000, -0.0050910600000000, -0.0007320200000000 ] - [ -0.0029777300000000, 0.0050910600000000, -0.0007320200000000 ] - [ -0.0002746600000000, 0.0000000000000000, 0.0003557600000000 ] - [ -0.0004583200000000, -0.0005020400000000, 0.0000530500000000 ] - [ -0.0004583200000000, 0.0005020400000000, 0.0000530500000000 ] - [ -0.0002581000000000, -0.0003658200000000, -0.0026043700000000 ] - [ 0.0001490700000000, 0.0000000000000000, -0.0005590500000000 ] - [ -0.0002581000000000, 0.0003658200000000, -0.0026043700000000 ] - [ 0.0031314700000000, 0.0000000000000000, 0.0083788600000000 ] - [ 0.0001535900000000, 0.0000262500000000, 0.0010440000000000 ] - [ 0.0001535900000000, -0.0000262500000000, 0.0010440000000000 ]- atom: 37 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001607500000000, 0.0026407800000000, 0.0002554700000000 ] - [ 0.0003297400000000, -0.0011667600000000, 0.0016168700000000 ] - [ -0.0006380500000000, -0.0011734800000000, -0.0010978400000000 ] - [ 0.0042237700000000, 0.0031230100000000, 0.0011472200000000 ] - [ 0.0001610100000000, -0.0053509500000000, -0.0002561200000000 ] - [ -0.0042360600000000, 0.0027495600000000, -0.0016925400000000 ] - [ 0.0004959600000000, 0.0011563900000000, -0.0005672500000000 ] - [ 0.0003705900000000, -0.0020656600000000, 0.0002488000000000 ] - [ 0.0002102900000000, 0.0011045700000000, 0.0010270900000000 ] - [ -0.0003703400000000, 0.0025549000000000, -0.0002509400000000 ] - [ 0.0008614400000000, -0.0012240200000000, -0.0008695800000000 ] - [ -0.0015974600000000, -0.0012201100000000, 0.0003669900000000 ] - [ 0.0001284100000000, 0.0010798300000000, -0.0005998300000000 ] - [ -0.0001531900000000, -0.0018133600000000, 0.0002549900000000 ] - [ -0.0003892700000000, 0.0010309100000000, 0.0011025400000000 ] - [ 0.0001638700000000, 0.0021923100000000, -0.0002521000000000 ] - [ -0.0010686500000000, -0.0009597000000000, 0.0005461900000000 ] - [ 0.0013771300000000, -0.0009620200000000, -0.0010525800000000 ] - [ 0.0003679700000000, 0.0024290400000000, 0.0002482900000000 ] - [ -0.0002530900000000, -0.0011761200000000, -0.0010890500000000 ] - [ 0.0009896300000000, -0.0011771200000000, 0.0015795100000000 ] - [ -0.0053932200000000, 0.0018507000000000, -0.0021698600000000 ] - [ -0.0003764500000000, -0.0053008700000000, -0.0002527800000000 ] - [ 0.0048837800000000, 0.0015187900000000, 0.0018158400000000 ] - [ 0.0000069800000000, 0.0000959200000000, -0.0000257200000000 ] - [ 0.0000912300000000, -0.0012212700000000, -0.0003198200000000 ] - [ -0.0000879100000000, -0.0012217700000000, 0.0003107500000000 ] - [ 0.0000446500000000, -0.0000354900000000, 0.0000047700000000 ] - [ 0.0000013200000000, 0.0000383800000000, 0.0000000100000000 ] - [ -0.0000444000000000, -0.0000356700000000, -0.0000036600000000 ] - [ 0.0000148100000000, 0.0001875200000000, 0.0000074200000000 ] - [ -0.0000001100000000, -0.0003758200000000, 0.0000001600000000 ] - [ -0.0000147400000000, 0.0001868600000000, -0.0000072000000000 ] - [ -0.0001525400000000, 0.0089085100000000, 0.0003692300000000 ] - [ -0.0001330800000000, 0.0010768500000000, 0.0003020000000000 ] - [ 0.0001283300000000, 0.0010769900000000, -0.0002921100000000 ] - [ 0.0003436900000000, -0.0338266900000000, -0.0007768800000000 ] - [ 0.0001793500000000, 0.0044148700000000, -0.0002426600000000 ] - [ -0.0000081000000000, 0.0043666900000000, -0.0002405200000000 ] - [ 0.0001808700000000, -0.0056690800000000, 0.0000399700000000 ] - [ -0.0032201500000000, 0.0070291200000000, -0.0017275100000000 ] - [ 0.0035395800000000, 0.0069958900000000, 0.0017991400000000 ] - [ -0.0017963600000000, 0.0015378700000000, 0.0058318300000000 ] - [ -0.0000006500000000, 0.0016276200000000, 0.0000035600000000 ] - [ 0.0017780700000000, 0.0014998300000000, -0.0057633500000000 ] - [ -0.0028179000000000, -0.0008158700000000, 0.0024386600000000 ] - [ 0.0002816700000000, 0.0013861500000000, 0.0000550200000000 ] - [ 0.0033668700000000, -0.0008068700000000, -0.0022923300000000 ] - [ -0.0013845900000000, -0.0003436400000000, -0.0033062800000000 ] - [ -0.0001701800000000, 0.0016011500000000, -0.0000468400000000 ] - [ 0.0010683400000000, -0.0003201100000000, 0.0031975000000000 ] - [ -0.0002743900000000, -0.0017933000000000, -0.0000468900000000 ] - [ -0.0000436700000000, 0.0008426100000000, -0.0000013000000000 ] - [ -0.0005147600000000, 0.0008524400000000, -0.0000984300000000 ] - [ -0.0000707000000000, -0.0004130700000000, 0.0001398800000000 ] - [ -0.0000732400000000, 0.0009034800000000, 0.0002187000000000 ] - [ -0.0000959500000000, -0.0004124100000000, 0.0003434900000000 ] - [ 0.0000163800000000, -0.0003818200000000, -0.0001603300000000 ] - [ 0.0000732400000000, 0.0008192300000000, -0.0002199700000000 ] - [ 0.0001485800000000, -0.0003809700000000, -0.0003221200000000 ] - [ 0.0025153000000000, -0.0005121600000000, -0.0011941100000000 ] - [ 0.0001724000000000, 0.0015176200000000, 0.0000404100000000 ] - [ -0.0021794000000000, -0.0004924600000000, 0.0012545500000000 ] - [ 0.0000013600000000, -0.0004381000000000, -0.0000021900000000 ] - [ 0.0001157500000000, 0.0001852000000000, 0.0000498100000000 ] - [ -0.0001134100000000, 0.0001777900000000, -0.0000508300000000 ] - [ 0.0002746700000000, -0.0055820900000000, 0.0000445300000000 ] - [ 0.0037597700000000, 0.0069714300000000, 0.0007170700000000 ] - [ -0.0031734900000000, 0.0069422700000000, -0.0006107400000000 ] - [ -0.0001779300000000, -0.0015239300000000, -0.0000450000000000 ] - [ -0.0002523900000000, 0.0006988600000000, -0.0000541900000000 ] - [ -0.0000927600000000, 0.0007074500000000, -0.0000344900000000 ] - [ 0.0008467000000000, -0.0007890300000000, 0.0032465400000000 ] - [ -0.0002840100000000, 0.0013793500000000, -0.0000477400000000 ] - [ -0.0014235700000000, -0.0007803200000000, -0.0033114300000000 ] - [ -0.0001083900000000, -0.0067011700000000, 0.0002876200000000 ] - [ -0.0001141500000000, 0.0004973000000000, 0.0004889100000000 ] - [ -0.0000540600000000, 0.0005072400000000, -0.0000062100000000 ]- atom: 37 displacement: [ -0.0033403566784967, 0.0000000000000000, 0.0094256043445724 ] forces: - [ -0.0019277300000000, 0.0000000000000000, -0.0000542800000000 ] - [ -0.0006379400000000, 0.0008306100000000, 0.0005405400000000 ] - [ -0.0006379400000000, -0.0008306100000000, 0.0005405400000000 ] - [ -0.0020129100000000, 0.0000147700000000, 0.0058690400000000 ] - [ -0.0004256100000000, 0.0000000000000000, 0.0004997600000000 ] - [ -0.0020129100000000, -0.0000147700000000, 0.0058690400000000 ] - [ 0.0017027400000000, 0.0024567900000000, -0.0046024300000000 ] - [ 0.0011682800000000, 0.0000000000000000, -0.0006005100000000 ] - [ 0.0017027400000000, -0.0024567900000000, -0.0046024300000000 ] - [ 0.0002328700000000, 0.0000000000000000, -0.0004661000000000 ] - [ 0.0001935000000000, 0.0001192100000000, -0.0004676600000000 ] - [ 0.0001935000000000, -0.0001192100000000, -0.0004676600000000 ] - [ 0.0017939300000000, 0.0024400200000000, -0.0035023200000000 ] - [ -0.0002733400000000, 0.0000000000000000, -0.0007781600000000 ] - [ 0.0017939300000000, -0.0024400200000000, -0.0035023200000000 ] - [ 0.0014820200000000, 0.0000000000000000, 0.0005702300000000 ] - [ 0.0002586600000000, 0.0007107700000000, 0.0002134500000000 ] - [ 0.0002586600000000, -0.0007107700000000, 0.0002134500000000 ] - [ 0.0000191700000000, 0.0000000000000000, -0.0002155300000000 ] - [ 0.0000497700000000, 0.0001776500000000, -0.0002540000000000 ] - [ 0.0000497700000000, -0.0001776500000000, -0.0002540000000000 ] - [ -0.0029044800000000, -0.0001092900000000, 0.0057837900000000 ] - [ -0.0004974700000000, 0.0000000000000000, 0.0007360100000000 ] - [ -0.0029044800000000, 0.0001092900000000, 0.0057837900000000 ] - [ 0.0012842900000000, 0.0000000000000000, -0.0042714000000000 ] - [ -0.0001822200000000, -0.0010848700000000, 0.0006641100000000 ] - [ -0.0001822200000000, 0.0010848700000000, 0.0006641100000000 ] - [ 0.0000349800000000, -0.0000154400000000, 0.0000202700000000 ] - [ 0.0000685200000000, 0.0000000000000000, 0.0000131400000000 ] - [ 0.0000349800000000, 0.0000154400000000, 0.0000202700000000 ] - [ 0.0000124600000000, 0.0000386900000000, -0.0000051800000000 ] - [ 0.0000084600000000, 0.0000000000000000, -0.0000069000000000 ] - [ 0.0000124600000000, -0.0000386900000000, -0.0000051800000000 ] - [ -0.0519436300000000, 0.0000000000000000, 0.1227580500000000 ] - [ -0.0000246700000000, -0.0006801700000000, 0.0001338200000000 ] - [ -0.0000246700000000, 0.0006801700000000, 0.0001338200000000 ] - [ 0.0637690700000000, 0.0000000000000000, -0.1532031000000000 ] - [ 0.0005900400000000, 0.0000246700000000, -0.0016013400000000 ] - [ 0.0005900400000000, -0.0000246700000000, -0.0016013400000000 ] - [ -0.0002856800000000, 0.0000000000000000, -0.0018587700000000 ] - [ -0.0009175400000000, 0.0015160300000000, -0.0006773800000000 ] - [ -0.0009175400000000, -0.0015160300000000, -0.0006773800000000 ] - [ -0.0017623100000000, 0.0115522900000000, 0.0059311400000000 ] - [ 0.0000497200000000, 0.0000000000000000, -0.0001989700000000 ] - [ -0.0017623100000000, -0.0115522900000000, 0.0059311400000000 ] - [ -0.0002917100000000, -0.0000254200000000, 0.0000658800000000 ] - [ -0.0000986700000000, 0.0000000000000000, 0.0001795600000000 ] - [ -0.0002917100000000, 0.0000254200000000, 0.0000658800000000 ] - [ 0.0024370200000000, -0.0019516200000000, 0.0008245300000000 ] - [ -0.0001790600000000, 0.0000000000000000, -0.0002614600000000 ] - [ 0.0024370200000000, 0.0019516200000000, 0.0008245300000000 ] - [ -0.0003190700000000, 0.0000000000000000, 0.0008438100000000 ] - [ -0.0003503600000000, -0.0005577800000000, 0.0003515400000000 ] - [ -0.0003503600000000, 0.0005577800000000, 0.0003515400000000 ] - [ 0.0002235400000000, -0.0001024300000000, 0.0002960400000000 ] - [ 0.0002425600000000, 0.0000000000000000, 0.0002422700000000 ] - [ 0.0002235400000000, 0.0001024300000000, 0.0002960400000000 ] - [ -0.0002325800000000, -0.0001001500000000, -0.0003240200000000 ] - [ -0.0002698900000000, 0.0000000000000000, -0.0002683000000000 ] - [ -0.0002325800000000, 0.0001001500000000, -0.0003240200000000 ] - [ -0.0018411500000000, -0.0015331200000000, -0.0009063800000000 ] - [ 0.0002837800000000, 0.0000000000000000, -0.0000974600000000 ] - [ -0.0018411500000000, 0.0015331200000000, -0.0009063800000000 ] - [ 0.0000459900000000, 0.0000000000000000, 0.0000342500000000 ] - [ 0.0000448500000000, -0.0000510900000000, 0.0000308200000000 ] - [ 0.0000448500000000, 0.0000510900000000, 0.0000308200000000 ] - [ 0.0016090900000000, 0.0000000000000000, -0.0012164100000000 ] - [ 0.0014793100000000, 0.0013590500000000, 0.0001044900000000 ] - [ 0.0014793100000000, -0.0013590500000000, 0.0001044900000000 ] - [ -0.0007430200000000, 0.0000000000000000, 0.0003677200000000 ] - [ -0.0004196500000000, -0.0005786800000000, 0.0001662700000000 ] - [ -0.0004196500000000, 0.0005786800000000, 0.0001662700000000 ] - [ 0.0001692800000000, -0.0000409600000000, 0.0001407500000000 ] - [ -0.0000307800000000, 0.0000000000000000, 0.0002696400000000 ] - [ 0.0001692800000000, 0.0000409600000000, 0.0001407500000000 ] - [ -0.0065670400000000, 0.0000000000000000, 0.0149446000000000 ] - [ -0.0007640000000000, 0.0002401900000000, 0.0022233800000000 ] - [ -0.0007640000000000, -0.0002401900000000, 0.0022233800000000 ]- atom: 37 displacement: [ 0.0033403566784967, 0.0000000000000000, -0.0094256043445724 ] forces: - [ 0.0016398400000000, 0.0000000000000000, 0.0005607400000000 ] - [ 0.0003385400000000, -0.0008314900000000, -0.0000343300000000 ] - [ 0.0003385400000000, 0.0008314900000000, -0.0000343300000000 ] - [ 0.0022940400000000, 0.0000562600000000, -0.0064290200000000 ] - [ 0.0007557300000000, 0.0000000000000000, -0.0010100800000000 ] - [ 0.0022940400000000, -0.0000562600000000, -0.0064290200000000 ] - [ -0.0009465600000000, -0.0024673800000000, 0.0051479900000000 ] - [ -0.0004174000000000, 0.0000000000000000, 0.0011102600000000 ] - [ -0.0009465600000000, 0.0024673800000000, 0.0051479900000000 ] - [ -0.0009870100000000, 0.0000000000000000, -0.0000264600000000 ] - [ -0.0009402900000000, -0.0001165400000000, -0.0000235100000000 ] - [ -0.0009402900000000, 0.0001165400000000, -0.0000235100000000 ] - [ -0.0021386900000000, -0.0024494500000000, 0.0040353200000000 ] - [ -0.0000482000000000, 0.0000000000000000, 0.0012922000000000 ] - [ -0.0021386900000000, 0.0024494500000000, 0.0040353200000000 ] - [ -0.0011758000000000, 0.0000000000000000, -0.0011011300000000 ] - [ 0.0000503400000000, -0.0007158800000000, -0.0007370100000000 ] - [ 0.0000503400000000, 0.0007158800000000, -0.0007370100000000 ] - [ 0.0007225000000000, 0.0000000000000000, 0.0007292600000000 ] - [ 0.0006878900000000, -0.0001702700000000, 0.0007631400000000 ] - [ 0.0006878900000000, 0.0001702700000000, 0.0007631400000000 ] - [ 0.0022196600000000, 0.0001883700000000, -0.0063005800000000 ] - [ -0.0002617800000000, 0.0000000000000000, -0.0012448700000000 ] - [ 0.0022196600000000, -0.0001883700000000, -0.0063005800000000 ] - [ -0.0013430300000000, 0.0000000000000000, 0.0044450700000000 ] - [ 0.0001787600000000, 0.0010807500000000, -0.0006553200000000 ] - [ 0.0001787600000000, -0.0010807500000000, -0.0006553200000000 ] - [ -0.0000369500000000, 0.0000148000000000, -0.0000184800000000 ] - [ -0.0000697100000000, 0.0000000000000000, -0.0000138700000000 ] - [ -0.0000369500000000, -0.0000148000000000, -0.0000184800000000 ] - [ -0.0000127600000000, -0.0000388000000000, 0.0000055100000000 ] - [ -0.0000090100000000, 0.0000000000000000, 0.0000065400000000 ] - [ -0.0000127600000000, 0.0000388000000000, 0.0000055100000000 ] - [ 0.0554261300000000, 0.0000000000000000, -0.1307001200000000 ] - [ 0.0000255600000000, 0.0006782200000000, -0.0001355900000000 ] - [ 0.0000255600000000, -0.0006782200000000, -0.0001355900000000 ] - [ -0.0671907700000000, 0.0000000000000000, 0.1607958500000000 ] - [ -0.0004292400000000, -0.0000263800000000, 0.0011325100000000 ] - [ -0.0004292400000000, 0.0000263800000000, 0.0011325100000000 ] - [ 0.0006628400000000, 0.0000000000000000, 0.0019502700000000 ] - [ 0.0012759400000000, -0.0015523600000000, 0.0007789100000000 ] - [ 0.0012759400000000, 0.0015523600000000, 0.0007789100000000 ] - [ 0.0017435100000000, -0.0113727900000000, -0.0058587400000000 ] - [ -0.0000480500000000, 0.0000000000000000, 0.0001956200000000 ] - [ 0.0017435100000000, 0.0113727900000000, -0.0058587400000000 ] - [ 0.0008673000000000, 0.0000199200000000, 0.0000230200000000 ] - [ 0.0006592600000000, 0.0000000000000000, -0.0000843500000000 ] - [ 0.0008673000000000, -0.0000199200000000, 0.0000230200000000 ] - [ -0.0028199000000000, 0.0019753100000000, -0.0009101600000000 ] - [ -0.0001685400000000, 0.0000000000000000, 0.0001794800000000 ] - [ -0.0028199000000000, -0.0019753100000000, -0.0009101600000000 ] - [ -0.0002570600000000, 0.0000000000000000, -0.0009552600000000 ] - [ -0.0002248500000000, 0.0005616300000000, -0.0004577700000000 ] - [ -0.0002248500000000, -0.0005616300000000, -0.0004577700000000 ] - [ -0.0003960100000000, 0.0001015900000000, 0.0001887600000000 ] - [ -0.0004060400000000, 0.0000000000000000, 0.0002254000000000 ] - [ -0.0003960100000000, -0.0001015900000000, 0.0001887600000000 ] - [ 0.0004055200000000, 0.0000992700000000, -0.0001612200000000 ] - [ 0.0004341000000000, 0.0000000000000000, -0.0001976200000000 ] - [ 0.0004055200000000, -0.0000992700000000, -0.0001612200000000 ] - [ 0.0022104100000000, 0.0015542100000000, 0.0010168100000000 ] - [ 0.0000596100000000, 0.0000000000000000, 0.0001908100000000 ] - [ 0.0022104100000000, -0.0015542100000000, 0.0010168100000000 ] - [ -0.0000468300000000, 0.0000000000000000, -0.0000377900000000 ] - [ -0.0000450700000000, 0.0000636400000000, -0.0000316200000000 ] - [ -0.0000450700000000, -0.0000636400000000, -0.0000316200000000 ] - [ -0.0010787100000000, 0.0000000000000000, 0.0013031500000000 ] - [ -0.0009373400000000, -0.0013948600000000, 0.0000007400000000 ] - [ -0.0009373400000000, 0.0013948600000000, 0.0000007400000000 ] - [ 0.0004170200000000, 0.0000000000000000, -0.0004539000000000 ] - [ 0.0000905000000000, 0.0005829400000000, -0.0002503100000000 ] - [ 0.0000905000000000, -0.0005829400000000, -0.0002503100000000 ] - [ -0.0007369800000000, 0.0000339800000000, -0.0002599800000000 ] - [ -0.0005262800000000, 0.0000000000000000, -0.0003746300000000 ] - [ -0.0007369800000000, -0.0000339800000000, -0.0002599800000000 ] - [ 0.0066174700000000, 0.0000000000000000, -0.0149643400000000 ] - [ 0.0005965600000000, -0.0002323500000000, -0.0017392100000000 ] - [ 0.0005965600000000, 0.0002323500000000, -0.0017392100000000 ]- atom: 40 displacement: [ 0.0099999935342515, 0.0000000000000000, -0.0000113716722062 ] forces: - [ 0.0142535000000000, 0.0000000000000000, 0.0060958900000000 ] - [ 0.0032050900000000, -0.0002167600000000, 0.0019280000000000 ] - [ 0.0032050900000000, 0.0002167600000000, 0.0019280000000000 ] - [ 0.0219444100000000, 0.0091779200000000, 0.0022151400000000 ] - [ 0.0011122200000000, 0.0000000000000000, -0.0005451300000000 ] - [ 0.0219444100000000, -0.0091779200000000, 0.0022151400000000 ] - [ 0.0014003700000000, 0.0016223400000000, 0.0028493200000000 ] - [ 0.0010514500000000, 0.0000000000000000, 0.0007646200000000 ] - [ 0.0014003700000000, -0.0016223400000000, 0.0028493200000000 ] - [ 0.0192706800000000, 0.0000000000000000, -0.0032253600000000 ] - [ 0.0019933100000000, 0.0022359000000000, 0.0002088500000000 ] - [ 0.0019933100000000, -0.0022359000000000, 0.0002088500000000 ] - [ -0.0025408700000000, -0.0003137700000000, -0.0007323100000000 ] - [ -0.0017923700000000, 0.0000000000000000, -0.0003117100000000 ] - [ -0.0025408700000000, 0.0003137700000000, -0.0007323100000000 ] - [ -0.0039161200000000, 0.0000000000000000, -0.0008925000000000 ] - [ -0.0024631800000000, 0.0013980700000000, 0.0000771600000000 ] - [ -0.0024631800000000, -0.0013980700000000, 0.0000771600000000 ] - [ -0.0025340600000000, 0.0000000000000000, -0.0012298800000000 ] - [ -0.0011707200000000, 0.0014518800000000, -0.0015473900000000 ] - [ -0.0011707200000000, -0.0014518800000000, -0.0015473900000000 ] - [ -0.0042646700000000, -0.0011674200000000, -0.0020947300000000 ] - [ -0.0025179200000000, 0.0000000000000000, -0.0013143000000000 ] - [ -0.0042646700000000, 0.0011674200000000, -0.0020947300000000 ] - [ 0.0007739300000000, 0.0000000000000000, -0.0008861000000000 ] - [ 0.0003555000000000, -0.0001960100000000, -0.0002769500000000 ] - [ 0.0003555000000000, 0.0001960100000000, -0.0002769500000000 ] - [ -0.0000093400000000, -0.0006212000000000, -0.0003042300000000 ] - [ 0.0001819100000000, 0.0000000000000000, -0.0000309600000000 ] - [ -0.0000093400000000, 0.0006212000000000, -0.0003042300000000 ] - [ 0.0001416000000000, 0.0009079900000000, 0.0001540700000000 ] - [ -0.0000716700000000, 0.0000000000000000, 0.0000559700000000 ] - [ 0.0001416000000000, -0.0009079900000000, 0.0001540700000000 ] - [ -0.0005549500000000, 0.0000000000000000, 0.0017163400000000 ] - [ -0.0001589200000000, 0.0002125800000000, 0.0006848900000000 ] - [ -0.0001589200000000, -0.0002125800000000, 0.0006848900000000 ] - [ 0.0097270800000000, 0.0000000000000000, 0.0026766500000000 ] - [ 0.0038837700000000, 0.0033743200000000, -0.0000535100000000 ] - [ 0.0038837700000000, -0.0033743200000000, -0.0000535100000000 ] - [ -0.0714738200000000, 0.0000000000000000, 0.0120262400000000 ] - [ -0.0045835100000000, 0.0027264900000000, -0.0011444900000000 ] - [ -0.0045835100000000, -0.0027264900000000, -0.0011444900000000 ] - [ 0.0001481800000000, 0.0005523300000000, 0.0017206500000000 ] - [ 0.0000171200000000, 0.0000000000000000, 0.0004057800000000 ] - [ 0.0001481800000000, -0.0005523300000000, 0.0017206500000000 ] - [ -0.0076984300000000, -0.0053073900000000, -0.0011942700000000 ] - [ -0.0010008700000000, 0.0000000000000000, 0.0002511000000000 ] - [ -0.0076984300000000, 0.0053073900000000, -0.0011942700000000 ] - [ -0.0008368400000000, 0.0045692000000000, -0.0086940800000000 ] - [ -0.0007298200000000, 0.0000000000000000, -0.0008214600000000 ] - [ -0.0008368400000000, -0.0045692000000000, -0.0086940800000000 ] - [ -0.0068946700000000, 0.0000000000000000, -0.0061546100000000 ] - [ -0.0006053000000000, 0.0001064900000000, -0.0012208400000000 ] - [ -0.0006053000000000, -0.0001064900000000, -0.0012208400000000 ] - [ -0.0008261900000000, -0.0012267300000000, 0.0027445000000000 ] - [ -0.0008478100000000, 0.0000000000000000, -0.0000231400000000 ] - [ -0.0008261900000000, 0.0012267300000000, 0.0027445000000000 ] - [ 0.0026550100000000, -0.0023349700000000, -0.0014587000000000 ] - [ -0.0000670300000000, 0.0000000000000000, -0.0001856700000000 ] - [ 0.0026550100000000, 0.0023349700000000, -0.0014587000000000 ] - [ 0.0021416500000000, -0.0001035600000000, 0.0003234400000000 ] - [ 0.0016047000000000, 0.0000000000000000, 0.0002094200000000 ] - [ 0.0021416500000000, 0.0001035600000000, 0.0003234400000000 ] - [ 0.0043524800000000, 0.0000000000000000, -0.0029765200000000 ] - [ -0.0002233500000000, -0.0012428100000000, -0.0002036800000000 ] - [ -0.0002233500000000, 0.0012428100000000, -0.0002036800000000 ] - [ 0.0028388300000000, 0.0000000000000000, 0.0009831000000000 ] - [ 0.0020058900000000, 0.0001701100000000, 0.0005990900000000 ] - [ 0.0020058900000000, -0.0001701100000000, 0.0005990900000000 ] - [ 0.0016585000000000, 0.0000000000000000, 0.0005502700000000 ] - [ 0.0015610500000000, -0.0006026600000000, 0.0006164600000000 ] - [ 0.0015610500000000, 0.0006026600000000, 0.0006164600000000 ] - [ 0.0011960800000000, -0.0002653600000000, 0.0009841700000000 ] - [ 0.0006525400000000, 0.0000000000000000, 0.0007171600000000 ] - [ 0.0011960800000000, 0.0002653600000000, 0.0009841700000000 ] - [ 0.0000090000000000, 0.0000000000000000, -0.0003461000000000 ] - [ 0.0001980000000000, -0.0000800000000000, 0.0000648900000000 ] - [ 0.0001980000000000, 0.0000800000000000, 0.0000648900000000 ]- atom: 40 displacement: [ -0.0099999935342515, 0.0000000000000000, 0.0000113716722062 ] forces: - [ -0.0145280500000000, 0.0000000000000000, -0.0056225100000000 ] - [ -0.0035294200000000, 0.0002329800000000, -0.0014147800000000 ] - [ -0.0035294200000000, -0.0002329800000000, -0.0014147800000000 ] - [ -0.0212338600000000, -0.0084144400000000, -0.0024863100000000 ] - [ -0.0008033400000000, 0.0000000000000000, 0.0000295400000000 ] - [ -0.0212338600000000, 0.0084144400000000, -0.0024863100000000 ] - [ -0.0006480000000000, -0.0016267100000000, -0.0023380700000000 ] - [ -0.0003084400000000, 0.0000000000000000, -0.0002605300000000 ] - [ -0.0006480000000000, 0.0016267100000000, -0.0023380700000000 ] - [ -0.0208148400000000, 0.0000000000000000, 0.0034950600000000 ] - [ -0.0027533600000000, -0.0022319600000000, -0.0007258200000000 ] - [ -0.0027533600000000, 0.0022319600000000, -0.0007258200000000 ] - [ 0.0022393900000000, 0.0003132900000000, 0.0012537400000000 ] - [ 0.0014902600000000, 0.0000000000000000, 0.0008307900000000 ] - [ 0.0022393900000000, -0.0003132900000000, 0.0012537400000000 ] - [ 0.0042366600000000, 0.0000000000000000, 0.0003768500000000 ] - [ 0.0027787200000000, -0.0014098700000000, -0.0005990800000000 ] - [ 0.0027787200000000, 0.0014098700000000, -0.0005990800000000 ] - [ 0.0032612500000000, 0.0000000000000000, 0.0017284400000000 ] - [ 0.0019062200000000, -0.0014556600000000, 0.0020569100000000 ] - [ 0.0019062200000000, 0.0014556600000000, 0.0020569100000000 ] - [ 0.0035169500000000, 0.0011521200000000, 0.0015847400000000 ] - [ 0.0017836800000000, 0.0000000000000000, 0.0008147400000000 ] - [ 0.0035169500000000, -0.0011521200000000, 0.0015847400000000 ] - [ -0.0007746700000000, 0.0000000000000000, 0.0008769800000000 ] - [ -0.0003565700000000, 0.0001970300000000, 0.0002768300000000 ] - [ -0.0003565700000000, -0.0001970300000000, 0.0002768300000000 ] - [ 0.0000307000000000, 0.0006082900000000, 0.0003190100000000 ] - [ -0.0001840300000000, 0.0000000000000000, 0.0000316200000000 ] - [ 0.0000307000000000, -0.0006082900000000, 0.0003190100000000 ] - [ -0.0001385500000000, -0.0009075000000000, -0.0001586200000000 ] - [ 0.0000717400000000, 0.0000000000000000, -0.0000552500000000 ] - [ -0.0001385500000000, 0.0009075000000000, -0.0001586200000000 ] - [ 0.0005528700000000, 0.0000000000000000, -0.0017003200000000 ] - [ 0.0001587100000000, -0.0002156900000000, -0.0006842600000000 ] - [ 0.0001587100000000, 0.0002156900000000, -0.0006842600000000 ] - [ -0.0094243700000000, 0.0000000000000000, -0.0031134600000000 ] - [ -0.0037225100000000, -0.0033807700000000, -0.0004214900000000 ] - [ -0.0037225100000000, 0.0033807700000000, -0.0004214900000000 ] - [ 0.0717348500000000, 0.0000000000000000, -0.0131975700000000 ] - [ 0.0049087200000000, -0.0027287200000000, 0.0012206400000000 ] - [ 0.0049087200000000, 0.0027287200000000, 0.0012206400000000 ] - [ -0.0001546400000000, -0.0005454800000000, -0.0017169000000000 ] - [ -0.0000190100000000, 0.0000000000000000, -0.0004065400000000 ] - [ -0.0001546400000000, 0.0005454800000000, -0.0017169000000000 ] - [ 0.0083149600000000, 0.0052584100000000, 0.0012405400000000 ] - [ 0.0015643800000000, 0.0000000000000000, -0.0001462600000000 ] - [ 0.0083149600000000, -0.0052584100000000, 0.0012405400000000 ] - [ 0.0004361300000000, -0.0045852900000000, 0.0085937500000000 ] - [ 0.0003885800000000, 0.0000000000000000, 0.0007334200000000 ] - [ 0.0004361300000000, 0.0045852900000000, 0.0085937500000000 ] - [ 0.0063278300000000, 0.0000000000000000, 0.0061587000000000 ] - [ 0.0000410900000000, -0.0001152400000000, 0.0011181900000000 ] - [ 0.0000410900000000, 0.0001152400000000, 0.0011181900000000 ] - [ 0.0006865800000000, 0.0012174200000000, -0.0022995300000000 ] - [ 0.0006794900000000, 0.0000000000000000, 0.0005125600000000 ] - [ 0.0006865800000000, -0.0012174200000000, -0.0022995300000000 ] - [ -0.0025211700000000, 0.0023609700000000, 0.0010058600000000 ] - [ 0.0002417100000000, 0.0000000000000000, -0.0002984200000000 ] - [ -0.0025211700000000, -0.0023609700000000, 0.0010058600000000 ] - [ -0.0018019100000000, 0.0001067300000000, -0.0002385600000000 ] - [ -0.0012699500000000, 0.0000000000000000, -0.0001242400000000 ] - [ -0.0018019100000000, -0.0001067300000000, -0.0002385600000000 ] - [ -0.0043646500000000, 0.0000000000000000, 0.0030240300000000 ] - [ 0.0002258900000000, 0.0012277600000000, 0.0002052100000000 ] - [ 0.0002258900000000, -0.0012277600000000, 0.0002052100000000 ] - [ -0.0022677300000000, 0.0000000000000000, -0.0008729300000000 ] - [ -0.0014404300000000, -0.0001656100000000, -0.0004943700000000 ] - [ -0.0014404300000000, 0.0001656100000000, -0.0004943700000000 ] - [ -0.0019954800000000, 0.0000000000000000, -0.0006366900000000 ] - [ -0.0019058600000000, 0.0006044100000000, -0.0007049200000000 ] - [ -0.0019058600000000, -0.0006044100000000, -0.0007049200000000 ] - [ -0.0017618100000000, 0.0002638500000000, -0.0010851400000000 ] - [ -0.0012184000000000, 0.0000000000000000, -0.0008205900000000 ] - [ -0.0017618100000000, -0.0002638500000000, -0.0010851400000000 ] - [ -0.0001796600000000, 0.0000000000000000, 0.0008198900000000 ] - [ -0.0003663100000000, 0.0000800600000000, 0.0004037800000000 ] - [ -0.0003663100000000, -0.0000800600000000, 0.0004037800000000 ]- atom: 40 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001247700000000, 0.0149991500000000, 0.0002533300000000 ] - [ 0.0014686700000000, -0.0045764700000000, 0.0026135300000000 ] - [ -0.0017525400000000, -0.0045840100000000, -0.0020721000000000 ] - [ 0.0110482000000000, 0.0229265400000000, 0.0054768800000000 ] - [ 0.0001569200000000, -0.0073520000000000, -0.0002583700000000 ] - [ -0.0096075900000000, 0.0215957000000000, -0.0055233200000000 ] - [ -0.0018585300000000, 0.0021879600000000, -0.0008904700000000 ] - [ 0.0003708000000000, -0.0035149200000000, 0.0002506800000000 ] - [ 0.0026126400000000, 0.0021549900000000, 0.0013944600000000 ] - [ -0.0003738500000000, 0.0156195500000000, -0.0002241100000000 ] - [ 0.0026254500000000, -0.0047866000000000, -0.0007218900000000 ] - [ -0.0033323300000000, -0.0047898900000000, 0.0002181800000000 ] - [ -0.0003475400000000, 0.0009403600000000, -0.0003122800000000 ] - [ -0.0001586100000000, -0.0018668200000000, 0.0002546000000000 ] - [ 0.0000291000000000, 0.0009299400000000, 0.0008202900000000 ] - [ 0.0001431500000000, 0.0021960600000000, -0.0002619100000000 ] - [ 0.0008496100000000, -0.0011812900000000, -0.0003767200000000 ] - [ -0.0005581100000000, -0.0011876500000000, -0.0001384700000000 ] - [ 0.0003540500000000, 0.0025888200000000, 0.0002454500000000 ] - [ 0.0009781100000000, -0.0014238100000000, 0.0009094900000000 ] - [ -0.0002546100000000, -0.0014361900000000, -0.0004210300000000 ] - [ -0.0023020100000000, 0.0015412800000000, -0.0005911000000000 ] - [ -0.0003823300000000, -0.0032670700000000, -0.0002556600000000 ] - [ 0.0015329800000000, 0.0015217600000000, 0.0000805700000000 ] - [ -0.0000024100000000, 0.0015154000000000, -0.0000017500000000 ] - [ 0.0003904200000000, -0.0006590000000000, -0.0004477700000000 ] - [ -0.0003885200000000, -0.0006564600000000, 0.0004389200000000 ] - [ 0.0001055300000000, -0.0000203700000000, -0.0000467800000000 ] - [ 0.0000019000000000, 0.0001855300000000, 0.0000006800000000 ] - [ -0.0000903400000000, -0.0000097700000000, 0.0000509200000000 ] - [ 0.0000809000000000, 0.0001698000000000, 0.0001028100000000 ] - [ -0.0000000700000000, -0.0006518800000000, -0.0000001500000000 ] - [ -0.0000785100000000, 0.0001550600000000, -0.0001009000000000 ] - [ -0.0000018700000000, -0.0003577600000000, -0.0000007600000000 ] - [ -0.0001855000000000, 0.0004497300000000, 0.0009075200000000 ] - [ 0.0001804000000000, 0.0004479200000000, -0.0008949400000000 ] - [ 0.0000717600000000, -0.0056688200000000, -0.0002515400000000 ] - [ 0.0059419200000000, 0.0070507400000000, 0.0001885900000000 ] - [ -0.0057052500000000, 0.0069748000000000, -0.0006771800000000 ] - [ -0.0010061200000000, -0.1013947000000000, -0.0004889200000000 ] - [ -0.0025746400000000, 0.0066693500000000, -0.0010470200000000 ] - [ 0.0028829700000000, 0.0066244000000000, 0.0011199800000000 ] - [ 0.0016385600000000, -0.0010942300000000, 0.0023299800000000 ] - [ 0.0000009300000000, 0.0018078800000000, 0.0000028100000000 ] - [ -0.0016296100000000, -0.0011231500000000, -0.0022999600000000 ] - [ -0.0057124300000000, 0.0059183200000000, 0.0135384200000000 ] - [ 0.0002773100000000, 0.0030204300000000, 0.0000558000000000 ] - [ 0.0062058500000000, 0.0059282100000000, -0.0132851800000000 ] - [ 0.0044091800000000, 0.0044976900000000, -0.0119615100000000 ] - [ -0.0001747600000000, 0.0030470700000000, -0.0000501200000000 ] - [ -0.0047185200000000, 0.0045209200000000, 0.0117504600000000 ] - [ -0.0003261600000000, -0.0041941900000000, -0.0000585700000000 ] - [ 0.0000693100000000, 0.0026450600000000, 0.0001185700000000 ] - [ -0.0006399200000000, 0.0026469300000000, -0.0002226200000000 ] - [ -0.0004819600000000, -0.0003426300000000, -0.0020054200000000 ] - [ -0.0000880300000000, 0.0016008200000000, 0.0002460400000000 ] - [ 0.0003346800000000, -0.0003205500000000, 0.0024580100000000 ] - [ -0.0013029000000000, -0.0005111800000000, 0.0009303400000000 ] - [ 0.0000855800000000, 0.0015174900000000, -0.0002476200000000 ] - [ 0.0014635700000000, -0.0004927700000000, -0.0013760800000000 ] - [ 0.0002825600000000, -0.0005294300000000, 0.0001475600000000 ] - [ 0.0001784600000000, 0.0010772100000000, 0.0000439700000000 ] - [ 0.0000715100000000, -0.0005237000000000, -0.0000581900000000 ] - [ 0.0000302400000000, -0.0012113700000000, 0.0000022000000000 ] - [ -0.0005174700000000, 0.0007924200000000, -0.0001363900000000 ] - [ 0.0005156000000000, 0.0008328500000000, 0.0001342200000000 ] - [ 0.0002901600000000, -0.0010130800000000, 0.0000552000000000 ] - [ 0.0001902700000000, 0.0006142000000000, 0.0001000500000000 ] - [ 0.0003874400000000, 0.0006227200000000, 0.0000093900000000 ] - [ -0.0001634200000000, -0.0013469800000000, -0.0000417100000000 ] - [ -0.0007679900000000, 0.0008179800000000, -0.0002538700000000 ] - [ 0.0004398600000000, 0.0008262200000000, 0.0001711200000000 ] - [ 0.0000335800000000, -0.0004517200000000, -0.0000263000000000 ] - [ -0.0002783800000000, 0.0009253600000000, -0.0000475100000000 ] - [ -0.0005902300000000, -0.0004467700000000, -0.0000719900000000 ] - [ -0.0000859600000000, -0.0015239500000000, 0.0002453700000000 ] - [ 0.0004152900000000, 0.0007018400000000, -0.0001964200000000 ] - [ -0.0005815700000000, 0.0007047300000000, 0.0006781800000000 ]- atom: 40 displacement: [ -0.0033403566784967, 0.0000000000000000, 0.0094256043445724 ] forces: - [ 0.0022612300000000, 0.0000000000000000, 0.0221719800000000 ] - [ -0.0016586500000000, 0.0036483700000000, -0.0003334000000000 ] - [ -0.0016586500000000, -0.0036483700000000, -0.0003334000000000 ] - [ -0.0052651100000000, 0.0004379600000000, 0.0145120700000000 ] - [ -0.0001365300000000, 0.0000000000000000, 0.0004690200000000 ] - [ -0.0052651100000000, -0.0004379600000000, 0.0145120700000000 ] - [ 0.0023354500000000, 0.0005247100000000, -0.0060945300000000 ] - [ 0.0004969600000000, 0.0000000000000000, -0.0004491200000000 ] - [ 0.0023354500000000, -0.0005247100000000, -0.0060945300000000 ] - [ -0.0092990000000000, 0.0000000000000000, 0.0103904400000000 ] - [ 0.0013535000000000, -0.0035457200000000, 0.0003572400000000 ] - [ 0.0013535000000000, 0.0035457200000000, 0.0003572400000000 ] - [ -0.0000675600000000, -0.0000312900000000, -0.0000322900000000 ] - [ -0.0000788000000000, 0.0000000000000000, 0.0001767000000000 ] - [ -0.0000675600000000, 0.0000312900000000, -0.0000322900000000 ] - [ 0.0014812800000000, 0.0000000000000000, -0.0001718700000000 ] - [ 0.0007131700000000, -0.0002481400000000, -0.0001833500000000 ] - [ 0.0007131700000000, 0.0002481400000000, -0.0001833500000000 ] - [ -0.0008876900000000, 0.0000000000000000, -0.0007256400000000 ] - [ -0.0001392100000000, 0.0003719700000000, -0.0001177300000000 ] - [ -0.0001392100000000, -0.0003719700000000, -0.0001177300000000 ] - [ -0.0004297700000000, 0.0002468900000000, 0.0001393100000000 ] - [ -0.0004968300000000, 0.0000000000000000, -0.0001452400000000 ] - [ -0.0004297700000000, -0.0002468900000000, 0.0001393100000000 ] - [ 0.0002616000000000, 0.0000000000000000, 0.0000401500000000 ] - [ 0.0000011200000000, -0.0001369700000000, -0.0000716600000000 ] - [ 0.0000011200000000, 0.0001369700000000, -0.0000716600000000 ] - [ -0.0003563700000000, -0.0000415300000000, 0.0009485800000000 ] - [ -0.0000879100000000, 0.0000000000000000, 0.0001753400000000 ] - [ -0.0003563700000000, 0.0000415300000000, 0.0009485800000000 ] - [ 0.0001384200000000, -0.0000170000000000, -0.0006339800000000 ] - [ 0.0000379400000000, 0.0000000000000000, -0.0001826200000000 ] - [ 0.0001384200000000, 0.0000170000000000, -0.0006339800000000 ] - [ 0.0004223000000000, 0.0000000000000000, -0.0000595400000000 ] - [ 0.0001186400000000, 0.0000534700000000, 0.0001622700000000 ] - [ 0.0001186400000000, -0.0000534700000000, 0.0001622700000000 ] - [ -0.0006501800000000, 0.0000000000000000, -0.0022278700000000 ] - [ 0.0006271700000000, 0.0005076100000000, -0.0003692300000000 ] - [ 0.0006271700000000, -0.0005076100000000, -0.0003692300000000 ] - [ 0.0366358000000000, 0.0000000000000000, -0.1054611000000000 ] - [ 0.0006582800000000, 0.0000924900000000, -0.0018806200000000 ] - [ 0.0006582800000000, -0.0000924900000000, -0.0018806200000000 ] - [ 0.0002932900000000, 0.0001474900000000, 0.0002134300000000 ] - [ 0.0000376100000000, 0.0000000000000000, 0.0000528100000000 ] - [ 0.0002932900000000, -0.0001474900000000, 0.0002134300000000 ] - [ 0.0012094900000000, 0.0141236900000000, 0.0107185000000000 ] - [ 0.0009083400000000, 0.0000000000000000, 0.0002622100000000 ] - [ 0.0012094900000000, -0.0141236900000000, 0.0107185000000000 ] - [ -0.0080550500000000, -0.0126115900000000, 0.0055212700000000 ] - [ -0.0007124500000000, 0.0000000000000000, -0.0002805400000000 ] - [ -0.0080550500000000, 0.0126115900000000, 0.0055212700000000 ] - [ -0.0068662200000000, 0.0000000000000000, 0.0134957100000000 ] - [ -0.0010277600000000, 0.0001414500000000, 0.0024695600000000 ] - [ -0.0010277600000000, -0.0001414500000000, 0.0024695600000000 ] - [ 0.0027728900000000, -0.0026363400000000, 0.0012049900000000 ] - [ 0.0006011200000000, 0.0000000000000000, 0.0002723100000000 ] - [ 0.0027728900000000, 0.0026363400000000, 0.0012049900000000 ] - [ -0.0020407000000000, 0.0019533500000000, -0.0012540800000000 ] - [ -0.0005445200000000, 0.0000000000000000, -0.0006541200000000 ] - [ -0.0020407000000000, -0.0019533500000000, -0.0012540800000000 ] - [ -0.0002298100000000, -0.0000595300000000, -0.0000838900000000 ] - [ -0.0001587200000000, 0.0000000000000000, -0.0001228100000000 ] - [ -0.0002298100000000, 0.0000595300000000, -0.0000838900000000 ] - [ -0.0041337700000000, 0.0000000000000000, 0.0092865600000000 ] - [ -0.0002351300000000, -0.0000381400000000, 0.0005776300000000 ] - [ -0.0002351300000000, 0.0000381400000000, 0.0005776300000000 ] - [ 0.0001604900000000, 0.0000000000000000, 0.0001367700000000 ] - [ 0.0002278000000000, -0.0000776700000000, 0.0002376100000000 ] - [ 0.0002278000000000, 0.0000776700000000, 0.0002376100000000 ] - [ -0.0002238900000000, 0.0000000000000000, 0.0000484600000000 ] - [ -0.0001258300000000, 0.0000014200000000, -0.0001999000000000 ] - [ -0.0001258300000000, -0.0000014200000000, -0.0001999000000000 ] - [ 0.0001552900000000, 0.0000293000000000, 0.0000914500000000 ] - [ 0.0000434900000000, 0.0000000000000000, 0.0000556900000000 ] - [ 0.0001552900000000, -0.0000293000000000, 0.0000914500000000 ] - [ -0.0004889400000000, 0.0000000000000000, 0.0007117700000000 ] - [ -0.0002649100000000, 0.0000199700000000, 0.0004680300000000 ] - [ -0.0002649100000000, -0.0000199700000000, 0.0004680300000000 ]- atom: 40 displacement: [ 0.0033403566784967, 0.0000000000000000, -0.0094256043445724 ] forces: - [ -0.0027603200000000, 0.0000000000000000, -0.0240109400000000 ] - [ 0.0013551800000000, -0.0036716900000000, 0.0008232900000000 ] - [ 0.0013551800000000, 0.0036716900000000, 0.0008232900000000 ] - [ 0.0055421500000000, -0.0003963400000000, -0.0150535700000000 ] - [ 0.0004367100000000, 0.0000000000000000, -0.0009868000000000 ] - [ 0.0055421500000000, 0.0003963400000000, -0.0150535700000000 ] - [ -0.0016386600000000, -0.0005541700000000, 0.0065858300000000 ] - [ 0.0002291000000000, 0.0000000000000000, 0.0009492600000000 ] - [ -0.0016386600000000, 0.0005541700000000, 0.0065858300000000 ] - [ 0.0071961700000000, 0.0000000000000000, -0.0096179300000000 ] - [ -0.0021078100000000, 0.0035210100000000, -0.0008380700000000 ] - [ -0.0021078100000000, -0.0035210100000000, -0.0008380700000000 ] - [ -0.0002358400000000, 0.0000278300000000, 0.0005504600000000 ] - [ -0.0002246900000000, 0.0000000000000000, 0.0003435700000000 ] - [ -0.0002358400000000, -0.0000278300000000, 0.0005504600000000 ] - [ -0.0011363400000000, 0.0000000000000000, -0.0003084200000000 ] - [ -0.0003905900000000, 0.0002427500000000, -0.0003249600000000 ] - [ -0.0003905900000000, -0.0002427500000000, -0.0003249600000000 ] - [ 0.0016801400000000, 0.0000000000000000, 0.0012187600000000 ] - [ 0.0008943100000000, -0.0003771300000000, 0.0006201700000000 ] - [ 0.0008943100000000, 0.0003771300000000, 0.0006201700000000 ] - [ -0.0002817900000000, -0.0002479100000000, -0.0006256300000000 ] - [ -0.0002260900000000, 0.0000000000000000, -0.0003479600000000 ] - [ -0.0002817900000000, 0.0002479100000000, -0.0006256300000000 ] - [ -0.0002695600000000, 0.0000000000000000, -0.0000351000000000 ] - [ -0.0000047100000000, 0.0001351000000000, 0.0000765100000000 ] - [ -0.0000047100000000, -0.0001351000000000, 0.0000765100000000 ] - [ 0.0003509000000000, 0.0000395100000000, -0.0009362500000000 ] - [ 0.0000863700000000, 0.0000000000000000, -0.0001775100000000 ] - [ 0.0003509000000000, -0.0000395100000000, -0.0009362500000000 ] - [ -0.0001401900000000, -0.0000144900000000, 0.0006291200000000 ] - [ -0.0000386600000000, 0.0000000000000000, 0.0001822900000000 ] - [ -0.0001401900000000, 0.0000144900000000, 0.0006291200000000 ] - [ -0.0004225400000000, 0.0000000000000000, 0.0000456800000000 ] - [ -0.0001194800000000, -0.0000558600000000, -0.0001721400000000 ] - [ -0.0001194800000000, 0.0000558600000000, -0.0001721400000000 ] - [ 0.0007497300000000, 0.0000000000000000, 0.0017349000000000 ] - [ -0.0005190100000000, -0.0005579300000000, -0.0001004900000000 ] - [ -0.0005190100000000, 0.0005579300000000, -0.0001004900000000 ] - [ -0.0347466700000000, 0.0000000000000000, 0.1065956200000000 ] - [ -0.0002777200000000, -0.0001266600000000, 0.0019819700000000 ] - [ -0.0002777200000000, 0.0001266600000000, 0.0019819700000000 ] - [ -0.0002886500000000, -0.0001470500000000, -0.0002379100000000 ] - [ -0.0000353900000000, 0.0000000000000000, -0.0000582700000000 ] - [ -0.0002886500000000, 0.0001470500000000, -0.0002379100000000 ] - [ -0.0005835300000000, -0.0139138200000000, -0.0105644700000000 ] - [ -0.0003299800000000, 0.0000000000000000, -0.0001698100000000 ] - [ -0.0005835300000000, 0.0139138200000000, -0.0105644700000000 ] - [ 0.0078024300000000, 0.0127878100000000, -0.0055861400000000 ] - [ 0.0003793000000000, 0.0000000000000000, 0.0002109200000000 ] - [ 0.0078024300000000, -0.0127878100000000, -0.0055861400000000 ] - [ 0.0064174000000000, 0.0000000000000000, -0.0135955900000000 ] - [ 0.0004605800000000, -0.0001246900000000, -0.0025689000000000 ] - [ 0.0004605800000000, 0.0001246900000000, -0.0025689000000000 ] - [ -0.0029737300000000, 0.0026746800000000, -0.0007035800000000 ] - [ -0.0007730000000000, 0.0000000000000000, 0.0002161600000000 ] - [ -0.0029737300000000, -0.0026746800000000, -0.0007035800000000 ] - [ 0.0022006800000000, -0.0019232900000000, 0.0007384200000000 ] - [ 0.0007095100000000, 0.0000000000000000, 0.0001648600000000 ] - [ 0.0022006800000000, 0.0019232900000000, 0.0007384200000000 ] - [ 0.0005583500000000, 0.0000636400000000, 0.0001655000000000 ] - [ 0.0004883800000000, 0.0000000000000000, 0.0002057300000000 ] - [ 0.0005583500000000, -0.0000636400000000, 0.0001655000000000 ] - [ 0.0039907100000000, 0.0000000000000000, -0.0093203800000000 ] - [ 0.0002340000000000, 0.0000478000000000, -0.0005788400000000 ] - [ 0.0002340000000000, -0.0000478000000000, -0.0005788400000000 ] - [ 0.0003740400000000, 0.0000000000000000, -0.0000442500000000 ] - [ 0.0003214500000000, 0.0000812700000000, -0.0001410700000000 ] - [ 0.0003214500000000, -0.0000812700000000, -0.0001410700000000 ] - [ -0.0001232400000000, 0.0000000000000000, -0.0001365700000000 ] - [ -0.0002142400000000, -0.0000010700000000, 0.0001146800000000 ] - [ -0.0002142400000000, 0.0000010700000000, 0.0001146800000000 ] - [ -0.0007334400000000, -0.0000238200000000, -0.0001975600000000 ] - [ -0.0006168500000000, 0.0000000000000000, -0.0001615700000000 ] - [ -0.0007334400000000, 0.0000238200000000, -0.0001975600000000 ] - [ 0.0003300500000000, 0.0000000000000000, -0.0002244700000000 ] - [ 0.0001072100000000, -0.0000145600000000, 0.0000075200000000 ] - [ 0.0001072100000000, 0.0000145600000000, 0.0000075200000000 ]- atom: 43 displacement: [ 0.0099999935342515, 0.0000000000000000, -0.0000113716722062 ] forces: - [ -0.0022891100000000, -0.0016376800000000, -0.0001346100000000 ] - [ -0.0022891100000000, 0.0016376800000000, -0.0001346100000000 ] - [ -0.0007175500000000, 0.0000000000000000, 0.0001587700000000 ] - [ 0.0065935400000000, 0.0000000000000000, -0.0045843500000000 ] - [ 0.0013305200000000, 0.0003839100000000, 0.0000612400000000 ] - [ 0.0013305200000000, -0.0003839100000000, 0.0000612400000000 ] - [ 0.0022771900000000, 0.0000000000000000, 0.0053121200000000 ] - [ 0.0014057400000000, 0.0013001700000000, 0.0004897300000000 ] - [ 0.0014057400000000, -0.0013001700000000, 0.0004897300000000 ] - [ -0.0028101800000000, -0.0031023600000000, -0.0012930600000000 ] - [ -0.0028101800000000, 0.0031023600000000, -0.0012930600000000 ] - [ -0.0009216300000000, 0.0000000000000000, -0.0004911100000000 ] - [ 0.0063847700000000, 0.0000000000000000, -0.0039408800000000 ] - [ 0.0010410500000000, -0.0003793400000000, 0.0005996800000000 ] - [ 0.0010410500000000, 0.0003793400000000, 0.0005996800000000 ] - [ -0.0019801800000000, 0.0016562100000000, -0.0006503300000000 ] - [ -0.0019801800000000, -0.0016562100000000, -0.0006503300000000 ] - [ -0.0003998100000000, 0.0000000000000000, -0.0003619700000000 ] - [ -0.0020682300000000, 0.0031362600000000, -0.0007902400000000 ] - [ -0.0020682300000000, -0.0031362600000000, -0.0007902400000000 ] - [ -0.0001718200000000, 0.0000000000000000, 0.0000214800000000 ] - [ 0.0020964900000000, 0.0000000000000000, 0.0045276300000000 ] - [ 0.0006970600000000, -0.0013042700000000, -0.0000198500000000 ] - [ 0.0006970600000000, 0.0013042700000000, -0.0000198500000000 ] - [ 0.0037126400000000, 0.0002524200000000, 0.0011311800000000 ] - [ 0.0037126400000000, -0.0002524200000000, 0.0011311800000000 ] - [ -0.0013149500000000, 0.0000000000000000, -0.0002368300000000 ] - [ -0.0000319300000000, 0.0000000000000000, -0.0001133100000000 ] - [ 0.0000023300000000, 0.0000003500000000, -0.0000190200000000 ] - [ 0.0000023300000000, -0.0000003500000000, -0.0000190200000000 ] - [ 0.0001365300000000, 0.0000000000000000, 0.0001645300000000 ] - [ 0.0001086400000000, -0.0000018100000000, 0.0000664100000000 ] - [ 0.0001086400000000, 0.0000018100000000, 0.0000664100000000 ] - [ -0.0007845900000000, 0.0000051000000000, 0.0003095800000000 ] - [ -0.0007845900000000, -0.0000051000000000, 0.0003095800000000 ] - [ 0.0000781500000000, 0.0000000000000000, 0.0000533800000000 ] - [ -0.0013966900000000, -0.0017907000000000, -0.0026067200000000 ] - [ -0.0013966900000000, 0.0017907000000000, -0.0026067200000000 ] - [ -0.0003613300000000, 0.0000000000000000, -0.0003315100000000 ] - [ 0.0003265200000000, 0.0016296700000000, 0.0004051300000000 ] - [ 0.0003265200000000, -0.0016296700000000, 0.0004051300000000 ] - [ 0.0001907200000000, 0.0000000000000000, 0.0000880400000000 ] - [ -0.0468696900000000, 0.0000000000000000, 0.0004635700000000 ] - [ -0.0018672000000000, 0.0000038000000000, -0.0000370100000000 ] - [ -0.0018672000000000, -0.0000038000000000, -0.0000370100000000 ] - [ 0.0132352800000000, 0.0000000000000000, 0.0057723100000000 ] - [ -0.0003859000000000, -0.0008020500000000, 0.0001185500000000 ] - [ -0.0003859000000000, 0.0008020500000000, 0.0001185500000000 ] - [ 0.0041577200000000, 0.0000000000000000, -0.0027764000000000 ] - [ -0.0003870900000000, -0.0005141600000000, -0.0003667000000000 ] - [ -0.0003870900000000, 0.0005141600000000, -0.0003667000000000 ] - [ 0.0012539400000000, 0.0033064000000000, 0.0000348600000000 ] - [ 0.0012539400000000, -0.0033064000000000, 0.0000348600000000 ] - [ -0.0000297200000000, 0.0000000000000000, -0.0000381600000000 ] - [ 0.0013326500000000, 0.0000000000000000, 0.0007950300000000 ] - [ 0.0006539700000000, 0.0001176100000000, 0.0005420000000000 ] - [ 0.0006539700000000, -0.0001176100000000, 0.0005420000000000 ] - [ 0.0014974700000000, 0.0000000000000000, 0.0003035100000000 ] - [ 0.0008139400000000, -0.0001112700000000, 0.0000726400000000 ] - [ 0.0008139400000000, 0.0001112700000000, 0.0000726400000000 ] - [ 0.0045603300000000, 0.0000000000000000, -0.0027760000000000 ] - [ -0.0000624300000000, 0.0005187800000000, -0.0002917100000000 ] - [ -0.0000624300000000, -0.0005187800000000, -0.0002917100000000 ] - [ 0.0010758600000000, -0.0000071700000000, 0.0000855600000000 ] - [ 0.0010758600000000, 0.0000071700000000, 0.0000855600000000 ] - [ 0.0001849700000000, 0.0000000000000000, 0.0000049200000000 ] - [ 0.0018264000000000, -0.0033412900000000, 0.0001330000000000 ] - [ 0.0018264000000000, 0.0033412900000000, 0.0001330000000000 ] - [ 0.0005259300000000, 0.0000000000000000, 0.0000591100000000 ] - [ -0.0000269300000000, -0.0016334400000000, 0.0003179400000000 ] - [ -0.0000269300000000, 0.0016334400000000, 0.0003179400000000 ] - [ -0.0001553500000000, 0.0000000000000000, 0.0000017100000000 ] - [ 0.0128701400000000, 0.0000000000000000, 0.0057827200000000 ] - [ -0.0009724300000000, 0.0008088000000000, 0.0000152100000000 ] - [ -0.0009724300000000, -0.0008088000000000, 0.0000152100000000 ] - [ -0.0015333400000000, 0.0017969300000000, -0.0021648400000000 ] - [ -0.0015333400000000, -0.0017969300000000, -0.0021648400000000 ] - [ -0.0005167500000000, 0.0000000000000000, 0.0001245200000000 ]- atom: 43 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0008773400000000, 0.0005939200000000, 0.0000671400000000 ] - [ 0.0005680900000000, 0.0006116600000000, 0.0004473900000000 ] - [ -0.0001489700000000, -0.0011894500000000, 0.0002590700000000 ] - [ 0.0001365000000000, 0.0096414900000000, -0.0002938400000000 ] - [ 0.0023967700000000, -0.0031895800000000, 0.0018954800000000 ] - [ -0.0020872200000000, -0.0031952200000000, -0.0023766400000000 ] - [ 0.0003413100000000, 0.0104683500000000, 0.0002641100000000 ] - [ 0.0036922900000000, -0.0035632700000000, -0.0002475200000000 ] - [ -0.0029260000000000, -0.0035662900000000, 0.0007181400000000 ] - [ -0.0014580900000000, 0.0005622600000000, -0.0006936600000000 ] - [ 0.0007295800000000, 0.0005865100000000, 0.0001962400000000 ] - [ -0.0003617400000000, -0.0014801900000000, -0.0002477100000000 ] - [ -0.0001365000000000, 0.0096414900000000, 0.0002938400000000 ] - [ -0.0023967700000000, -0.0031895800000000, -0.0018954800000000 ] - [ 0.0020872200000000, -0.0031952200000000, 0.0023766400000000 ] - [ 0.0008773400000000, 0.0005939200000000, -0.0000671400000000 ] - [ -0.0005680900000000, 0.0006116600000000, -0.0004473900000000 ] - [ 0.0001489700000000, -0.0011894500000000, -0.0002590700000000 ] - [ 0.0014580900000000, 0.0005622600000000, 0.0006936600000000 ] - [ -0.0007295800000000, 0.0005865100000000, -0.0001962400000000 ] - [ 0.0003617400000000, -0.0014801900000000, 0.0002477100000000 ] - [ -0.0003413100000000, 0.0104683500000000, -0.0002641100000000 ] - [ -0.0036922900000000, -0.0035632700000000, 0.0002475200000000 ] - [ 0.0029260000000000, -0.0035662900000000, -0.0007181400000000 ] - [ 0.0000000000000000, 0.0916862900000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0979266800000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0032285100000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0000479900000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000098100000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000104500000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0001788300000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0000957400000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0000971100000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0017260600000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0017199300000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0004555500000000, 0.0000000000000000 ] - [ -0.0034170000000000, 0.0015194200000000, 0.0106692900000000 ] - [ 0.0035918300000000, 0.0015121000000000, -0.0111961200000000 ] - [ 0.0000767500000000, 0.0016333400000000, -0.0002250300000000 ] - [ 0.0007225600000000, -0.0010988100000000, 0.0003940900000000 ] - [ -0.0003798400000000, -0.0011155900000000, -0.0003131400000000 ] - [ 0.0001708100000000, 0.0018054800000000, 0.0000408000000000 ] - [ 0.0000000000000000, -0.2168512800000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0060154600000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0057009600000000, 0.0000000000000000 ] - [ 0.0003133600000000, -0.0044010800000000, 0.0000610200000000 ] - [ -0.0015516500000000, 0.0007461600000000, -0.0005072800000000 ] - [ 0.0020925300000000, 0.0007450900000000, 0.0006038300000000 ] - [ -0.0001545000000000, -0.0011924300000000, -0.0000426500000000 ] - [ -0.0013957900000000, 0.0008022900000000, -0.0005213900000000 ] - [ 0.0010534800000000, 0.0008047100000000, 0.0004344900000000 ] - [ 0.0005235700000000, -0.0012693300000000, -0.0000768500000000 ] - [ -0.0010965900000000, -0.0012872900000000, -0.0000195800000000 ] - [ -0.0002860000000000, 0.0020057000000000, -0.0000498600000000 ] - [ -0.0000820500000000, -0.0004226000000000, 0.0002348200000000 ] - [ -0.0001381700000000, 0.0001724000000000, 0.0001607700000000 ] - [ -0.0000261700000000, 0.0001774700000000, 0.0003176500000000 ] - [ 0.0000820500000000, -0.0004226000000000, -0.0002348200000000 ] - [ 0.0001381700000000, 0.0001724000000000, -0.0001607700000000 ] - [ 0.0000261700000000, 0.0001774700000000, -0.0003176500000000 ] - [ 0.0001545000000000, -0.0011924300000000, 0.0000426500000000 ] - [ 0.0013957900000000, 0.0008022900000000, 0.0005213900000000 ] - [ -0.0010534800000000, 0.0008047100000000, -0.0004344900000000 ] - [ 0.0000000000000000, -0.0000157800000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0000505300000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0001224000000000, 0.0000000000000000 ] - [ -0.0005235700000000, -0.0012693300000000, 0.0000768500000000 ] - [ 0.0010965900000000, -0.0012872900000000, 0.0000195800000000 ] - [ 0.0002860000000000, 0.0020057000000000, 0.0000498600000000 ] - [ -0.0007225600000000, -0.0010988100000000, -0.0003940900000000 ] - [ 0.0003798400000000, -0.0011155900000000, 0.0003131400000000 ] - [ -0.0001708100000000, 0.0018054800000000, -0.0000408000000000 ] - [ -0.0003133600000000, -0.0044010800000000, -0.0000610200000000 ] - [ 0.0015516500000000, 0.0007461600000000, 0.0005072800000000 ] - [ -0.0020925300000000, 0.0007450900000000, -0.0006038300000000 ] - [ 0.0034170000000000, 0.0015194200000000, -0.0106692900000000 ] - [ -0.0035918300000000, 0.0015121000000000, 0.0111961200000000 ] - [ -0.0000767500000000, 0.0016333400000000, 0.0002250300000000 ]- atom: 43 displacement: [ -0.0033403566784967, 0.0000000000000000, 0.0094256043445724 ] forces: - [ 0.0005173600000000, 0.0002732100000000, -0.0007460700000000 ] - [ 0.0005173600000000, -0.0002732100000000, -0.0007460700000000 ] - [ -0.0000101400000000, 0.0000000000000000, 0.0000058100000000 ] - [ -0.0062089800000000, 0.0000000000000000, -0.0064900000000000 ] - [ -0.0006326900000000, 0.0012441000000000, -0.0001322900000000 ] - [ -0.0006326900000000, -0.0012441000000000, -0.0001322900000000 ] - [ 0.0047059100000000, 0.0000000000000000, 0.0022693600000000 ] - [ 0.0006410100000000, -0.0014377600000000, 0.0006672100000000 ] - [ 0.0006410100000000, 0.0014377600000000, 0.0006672100000000 ] - [ -0.0004675300000000, 0.0001188300000000, 0.0008910400000000 ] - [ -0.0004675300000000, -0.0001188300000000, 0.0008910400000000 ] - [ -0.0003794900000000, 0.0000000000000000, -0.0000150600000000 ] - [ -0.0064765700000000, 0.0000000000000000, -0.0057048500000000 ] - [ -0.0009310000000000, -0.0012499100000000, 0.0004120600000000 ] - [ -0.0009310000000000, 0.0012499100000000, 0.0004120600000000 ] - [ 0.0008246300000000, -0.0002651200000000, -0.0012626900000000 ] - [ 0.0008246300000000, 0.0002651200000000, -0.0012626900000000 ] - [ 0.0003068300000000, 0.0000000000000000, -0.0005094600000000 ] - [ 0.0002814900000000, -0.0001253500000000, 0.0013956200000000 ] - [ 0.0002814900000000, 0.0001253500000000, 0.0013956200000000 ] - [ 0.0003691400000000, 0.0000000000000000, 0.0004923000000000 ] - [ 0.0043769400000000, 0.0000000000000000, 0.0014780200000000 ] - [ -0.0000690900000000, 0.0014310300000000, 0.0001468400000000 ] - [ -0.0000690900000000, -0.0014310300000000, 0.0001468400000000 ] - [ -0.0002530700000000, 0.0002886400000000, 0.0002704700000000 ] - [ -0.0002530700000000, -0.0002886400000000, 0.0002704700000000 ] - [ 0.0002608500000000, 0.0000000000000000, -0.0006121500000000 ] - [ -0.0000998200000000, 0.0000000000000000, -0.0000411500000000 ] - [ -0.0000857600000000, 0.0000002100000000, -0.0000273600000000 ] - [ -0.0000857600000000, -0.0000002100000000, -0.0000273600000000 ] - [ -0.0000406900000000, 0.0000000000000000, -0.0000127100000000 ] - [ -0.0000137400000000, -0.0000011100000000, -0.0000037500000000 ] - [ -0.0000137400000000, 0.0000011100000000, -0.0000037500000000 ] - [ 0.0012982500000000, 0.0000033300000000, -0.0021064500000000 ] - [ 0.0012982500000000, -0.0000033300000000, -0.0021064500000000 ] - [ 0.0000245800000000, 0.0000000000000000, -0.0001026100000000 ] - [ -0.0018505700000000, 0.0060127300000000, 0.0055928800000000 ] - [ -0.0018505700000000, -0.0060127300000000, 0.0055928800000000 ] - [ 0.0001906400000000, 0.0000000000000000, -0.0004058400000000 ] - [ 0.0017350000000000, 0.0016222800000000, 0.0007238400000000 ] - [ 0.0017350000000000, -0.0016222800000000, 0.0007238400000000 ] - [ 0.0005477600000000, 0.0000000000000000, 0.0002213100000000 ] - [ 0.0160710400000000, 0.0000000000000000, -0.0187427100000000 ] - [ 0.0005872400000000, -0.0000103000000000, -0.0014684900000000 ] - [ 0.0005872400000000, 0.0000103000000000, -0.0014684900000000 ] - [ 0.0013958500000000, 0.0000000000000000, -0.0045791000000000 ] - [ 0.0005565900000000, 0.0000962000000000, -0.0006773200000000 ] - [ 0.0005565900000000, -0.0000962000000000, -0.0006773200000000 ] - [ -0.0044498800000000, 0.0000000000000000, 0.0091922200000000 ] - [ -0.0002842400000000, 0.0000467500000000, 0.0005786400000000 ] - [ -0.0002842400000000, -0.0000467500000000, 0.0005786400000000 ] - [ -0.0023435700000000, -0.0024182800000000, -0.0006760900000000 ] - [ -0.0023435700000000, 0.0024182800000000, -0.0006760900000000 ] - [ -0.0007105300000000, 0.0000000000000000, -0.0001336900000000 ] - [ -0.0001860900000000, 0.0000000000000000, 0.0002238200000000 ] - [ -0.0001143000000000, 0.0000103800000000, 0.0002334800000000 ] - [ -0.0001143000000000, -0.0000103800000000, 0.0002334800000000 ] - [ -0.0000136000000000, 0.0000000000000000, -0.0002566200000000 ] - [ 0.0000472700000000, -0.0000083900000000, -0.0002272100000000 ] - [ 0.0000472700000000, 0.0000083900000000, -0.0002272100000000 ] - [ -0.0040951300000000, 0.0000000000000000, 0.0092637900000000 ] - [ 0.0000506600000000, -0.0000431100000000, 0.0006610900000000 ] - [ 0.0000506600000000, 0.0000431100000000, 0.0006610900000000 ] - [ -0.0002776900000000, -0.0000123500000000, -0.0001003700000000 ] - [ -0.0002776900000000, 0.0000123500000000, -0.0001003700000000 ] - [ -0.0000566000000000, 0.0000000000000000, -0.0000115200000000 ] - [ -0.0017697300000000, 0.0023819100000000, -0.0005629500000000 ] - [ -0.0017697300000000, -0.0023819100000000, -0.0005629500000000 ] - [ -0.0001542500000000, 0.0000000000000000, -0.0000308100000000 ] - [ 0.0014062000000000, -0.0016494800000000, 0.0006348800000000 ] - [ 0.0014062000000000, 0.0016494800000000, 0.0006348800000000 ] - [ 0.0002069800000000, 0.0000000000000000, 0.0001321200000000 ] - [ 0.0007574600000000, 0.0000000000000000, -0.0046949800000000 ] - [ -0.0000220800000000, -0.0000955900000000, -0.0007810900000000 ] - [ -0.0000220800000000, 0.0000955900000000, -0.0007810900000000 ] - [ -0.0020117900000000, -0.0061104000000000, 0.0060687600000000 ] - [ -0.0020117900000000, 0.0061104000000000, 0.0060687600000000 ] - [ 0.0000301000000000, 0.0000000000000000, 0.0000550700000000 ]- atom: 46 displacement: [ 0.0099999935342515, 0.0000000000000000, -0.0000113716722062 ] forces: - [ 0.0013547300000000, 0.0024645000000000, 0.0038050600000000 ] - [ 0.0013547300000000, -0.0024645000000000, 0.0038050600000000 ] - [ 0.0006673600000000, 0.0000000000000000, 0.0008732800000000 ] - [ 0.0379271600000000, 0.0000000000000000, -0.0136099500000000 ] - [ 0.0022611800000000, -0.0026205600000000, -0.0005797100000000 ] - [ 0.0022611800000000, 0.0026205600000000, -0.0005797100000000 ] - [ 0.0165507900000000, 0.0000000000000000, 0.0100649200000000 ] - [ 0.0029645900000000, -0.0002304600000000, 0.0017379700000000 ] - [ 0.0029645900000000, 0.0002304600000000, 0.0017379700000000 ] - [ 0.0255078400000000, 0.0163006200000000, 0.0037336400000000 ] - [ 0.0255078400000000, -0.0163006200000000, 0.0037336400000000 ] - [ 0.0002641200000000, 0.0000000000000000, 0.0000112300000000 ] - [ -0.0028875500000000, 0.0000000000000000, -0.0035963900000000 ] - [ -0.0015443900000000, -0.0010340200000000, -0.0008866500000000 ] - [ -0.0015443900000000, 0.0010340200000000, -0.0008866500000000 ] - [ -0.0040255400000000, -0.0009314800000000, -0.0014996300000000 ] - [ -0.0040255400000000, 0.0009314800000000, -0.0014996300000000 ] - [ -0.0021053500000000, 0.0000000000000000, -0.0008172300000000 ] - [ -0.0022109800000000, -0.0000251600000000, -0.0000704400000000 ] - [ -0.0022109800000000, 0.0000251600000000, -0.0000704400000000 ] - [ -0.0010902300000000, 0.0000000000000000, -0.0000945400000000 ] - [ -0.0061930400000000, 0.0000000000000000, 0.0006448200000000 ] - [ -0.0025161300000000, -0.0013999400000000, -0.0004621500000000 ] - [ -0.0025161300000000, 0.0013999400000000, -0.0004621500000000 ] - [ 0.0013013100000000, 0.0019941100000000, 0.0001243500000000 ] - [ 0.0013013100000000, -0.0019941100000000, 0.0001243500000000 ] - [ 0.0000422300000000, 0.0000000000000000, -0.0000392500000000 ] - [ 0.0010928400000000, 0.0000000000000000, -0.0011607300000000 ] - [ 0.0005355700000000, -0.0002520400000000, -0.0005508400000000 ] - [ 0.0005355700000000, 0.0002520400000000, -0.0005508400000000 ] - [ 0.0004624400000000, 0.0000000000000000, 0.0013668100000000 ] - [ 0.0001907900000000, 0.0002867600000000, 0.0005011000000000 ] - [ 0.0001907900000000, -0.0002867600000000, 0.0005011000000000 ] - [ -0.0000802600000000, -0.0005777100000000, 0.0003694400000000 ] - [ -0.0000802600000000, 0.0005777100000000, 0.0003694400000000 ] - [ -0.0001000900000000, 0.0000000000000000, 0.0000453100000000 ] - [ 0.0018659500000000, -0.0031068900000000, -0.0002266800000000 ] - [ 0.0018659500000000, 0.0031068900000000, -0.0002266800000000 ] - [ 0.0001248900000000, 0.0000000000000000, -0.0006165900000000 ] - [ -0.0078633600000000, -0.0059497700000000, -0.0018210500000000 ] - [ -0.0078633600000000, 0.0059497700000000, -0.0018210500000000 ] - [ -0.0011125700000000, 0.0000000000000000, 0.0002432300000000 ] - [ 0.0131598300000000, 0.0000000000000000, 0.0058329000000000 ] - [ -0.0006811100000000, 0.0018438800000000, 0.0000446800000000 ] - [ -0.0006811100000000, -0.0018438800000000, 0.0000446800000000 ] - [ -0.1008825900000000, 0.0000000000000000, 0.0107747900000000 ] - [ -0.0048849200000000, -0.0032303200000000, -0.0007907500000000 ] - [ -0.0048849200000000, 0.0032303200000000, -0.0007907500000000 ] - [ -0.0067986900000000, 0.0000000000000000, -0.0095207000000000 ] - [ -0.0004946600000000, 0.0003497600000000, -0.0009502800000000 ] - [ -0.0004946600000000, -0.0003497600000000, -0.0009502800000000 ] - [ -0.0040410100000000, 0.0030703700000000, -0.0089383000000000 ] - [ -0.0040410100000000, -0.0030703700000000, -0.0089383000000000 ] - [ -0.0007092800000000, 0.0000000000000000, -0.0009770900000000 ] - [ -0.0009279500000000, 0.0000000000000000, -0.0001040700000000 ] - [ -0.0003774100000000, 0.0002365600000000, 0.0000743100000000 ] - [ -0.0003774100000000, -0.0002365600000000, 0.0000743100000000 ] - [ 0.0080581900000000, 0.0000000000000000, 0.0040056200000000 ] - [ 0.0033438000000000, -0.0034635100000000, 0.0021946600000000 ] - [ 0.0033438000000000, 0.0034635100000000, 0.0021946600000000 ] - [ 0.0027213200000000, 0.0000000000000000, 0.0008333200000000 ] - [ 0.0018912900000000, 0.0001017500000000, 0.0006015300000000 ] - [ 0.0018912900000000, -0.0001017500000000, 0.0006015300000000 ] - [ 0.0015402700000000, 0.0008221800000000, -0.0016337700000000 ] - [ 0.0015402700000000, -0.0008221800000000, -0.0016337700000000 ] - [ 0.0002488500000000, 0.0000000000000000, -0.0003702300000000 ] - [ 0.0024536700000000, -0.0004667800000000, 0.0002484200000000 ] - [ 0.0024536700000000, 0.0004667800000000, 0.0002484200000000 ] - [ 0.0016636700000000, 0.0000000000000000, 0.0001092700000000 ] - [ 0.0013089500000000, -0.0003136100000000, 0.0009520300000000 ] - [ 0.0013089500000000, 0.0003136100000000, 0.0009520300000000 ] - [ 0.0007663700000000, 0.0000000000000000, 0.0006390800000000 ] - [ 0.0027008300000000, 0.0000000000000000, 0.0009425900000000 ] - [ 0.0007655700000000, 0.0001864900000000, 0.0004036600000000 ] - [ 0.0007655700000000, -0.0001864900000000, 0.0004036600000000 ] - [ -0.0001281000000000, -0.0011238200000000, 0.0007096600000000 ] - [ -0.0001281000000000, 0.0011238200000000, 0.0007096600000000 ] - [ -0.0005188300000000, 0.0000000000000000, 0.0003390900000000 ]- atom: 46 displacement: [ -0.0099999935342515, 0.0000000000000000, 0.0000113716722062 ] forces: - [ -0.0016775700000000, -0.0024491900000000, -0.0032966500000000 ] - [ -0.0016775700000000, 0.0024491900000000, -0.0032966500000000 ] - [ -0.0009870200000000, 0.0000000000000000, -0.0003608000000000 ] - [ -0.0363259900000000, 0.0000000000000000, 0.0118393700000000 ] - [ -0.0019348600000000, 0.0026309200000000, 0.0000800400000000 ] - [ -0.0019348600000000, -0.0026309200000000, 0.0000800400000000 ] - [ -0.0158392200000000, 0.0000000000000000, -0.0093576500000000 ] - [ -0.0022010600000000, 0.0002552500000000, -0.0012378200000000 ] - [ -0.0022010600000000, -0.0002552500000000, -0.0012378200000000 ] - [ -0.0267206300000000, -0.0172260800000000, -0.0044642400000000 ] - [ -0.0267206300000000, 0.0172260800000000, -0.0044642400000000 ] - [ -0.0010119900000000, 0.0000000000000000, -0.0005152500000000 ] - [ 0.0025905800000000, 0.0000000000000000, 0.0040949200000000 ] - [ 0.0012419000000000, 0.0010323100000000, 0.0013998100000000 ] - [ 0.0012419000000000, -0.0010323100000000, 0.0013998100000000 ] - [ 0.0043490100000000, 0.0009504800000000, 0.0009893200000000 ] - [ 0.0043490100000000, -0.0009504800000000, 0.0009893200000000 ] - [ 0.0024139400000000, 0.0000000000000000, 0.0003014800000000 ] - [ 0.0029444600000000, 0.0000337700000000, 0.0005648700000000 ] - [ 0.0029444600000000, -0.0000337700000000, 0.0005648700000000 ] - [ 0.0018266600000000, 0.0000000000000000, 0.0005962300000000 ] - [ 0.0054281300000000, 0.0000000000000000, -0.0011362700000000 ] - [ 0.0017730500000000, 0.0013919500000000, -0.0000363100000000 ] - [ 0.0017730500000000, -0.0013919500000000, -0.0000363100000000 ] - [ -0.0013035900000000, -0.0019790200000000, -0.0001298600000000 ] - [ -0.0013035900000000, 0.0019790200000000, -0.0001298600000000 ] - [ -0.0000447500000000, 0.0000000000000000, 0.0000391600000000 ] - [ -0.0011008000000000, 0.0000000000000000, 0.0011668400000000 ] - [ -0.0005361900000000, 0.0002497500000000, 0.0005511700000000 ] - [ -0.0005361900000000, -0.0002497500000000, 0.0005511700000000 ] - [ -0.0004473600000000, 0.0000000000000000, -0.0013799300000000 ] - [ -0.0001908300000000, -0.0002892100000000, -0.0005029600000000 ] - [ -0.0001908300000000, 0.0002892100000000, -0.0005029600000000 ] - [ 0.0000743300000000, 0.0005815300000000, -0.0003653800000000 ] - [ 0.0000743300000000, -0.0005815300000000, -0.0003653800000000 ] - [ 0.0001000600000000, 0.0000000000000000, -0.0000457600000000 ] - [ -0.0016901300000000, 0.0030835500000000, -0.0002533500000000 ] - [ -0.0016901300000000, -0.0030835500000000, -0.0002533500000000 ] - [ 0.0000358400000000, 0.0000000000000000, 0.0001361300000000 ] - [ 0.0081529400000000, 0.0059982600000000, 0.0019792400000000 ] - [ 0.0081529400000000, -0.0059982600000000, 0.0019792400000000 ] - [ 0.0014552400000000, 0.0000000000000000, -0.0001585100000000 ] - [ -0.0129460900000000, 0.0000000000000000, -0.0057158800000000 ] - [ 0.0006769300000000, -0.0018355300000000, -0.0000436200000000 ] - [ 0.0006769300000000, 0.0018355300000000, -0.0000436200000000 ] - [ 0.1009644100000000, 0.0000000000000000, -0.0091575900000000 ] - [ 0.0054779800000000, 0.0032340300000000, 0.0009087200000000 ] - [ 0.0054779800000000, -0.0032340300000000, 0.0009087200000000 ] - [ 0.0064311600000000, 0.0000000000000000, 0.0092928200000000 ] - [ 0.0001510300000000, -0.0003598000000000, 0.0008616200000000 ] - [ 0.0001510300000000, 0.0003598000000000, 0.0008616200000000 ] - [ 0.0035560800000000, -0.0030055000000000, 0.0087965600000000 ] - [ 0.0035560800000000, 0.0030055000000000, 0.0087965600000000 ] - [ 0.0001454000000000, 0.0000000000000000, 0.0008778700000000 ] - [ 0.0007744700000000, 0.0000000000000000, 0.0005785400000000 ] - [ 0.0002134600000000, -0.0002360000000000, 0.0004095600000000 ] - [ 0.0002134600000000, 0.0002360000000000, 0.0004095600000000 ] - [ -0.0079993200000000, 0.0000000000000000, -0.0045496900000000 ] - [ -0.0031851400000000, 0.0034667700000000, -0.0026767900000000 ] - [ -0.0031851400000000, -0.0034667700000000, -0.0026767900000000 ] - [ -0.0023857900000000, 0.0000000000000000, -0.0007489300000000 ] - [ -0.0015556400000000, -0.0000968900000000, -0.0005190100000000 ] - [ -0.0015556400000000, 0.0000968900000000, -0.0005190100000000 ] - [ -0.0015361700000000, -0.0008236900000000, 0.0016376400000000 ] - [ -0.0015361700000000, 0.0008236900000000, 0.0016376400000000 ] - [ -0.0002463800000000, 0.0000000000000000, 0.0003710600000000 ] - [ -0.0018893500000000, 0.0004626800000000, -0.0001429700000000 ] - [ -0.0018893500000000, -0.0004626800000000, -0.0001429700000000 ] - [ -0.0010976600000000, 0.0000000000000000, -0.0000040300000000 ] - [ -0.0016512800000000, 0.0003097700000000, -0.0010402200000000 ] - [ -0.0016512800000000, -0.0003097700000000, -0.0010402200000000 ] - [ -0.0011069000000000, 0.0000000000000000, -0.0007263900000000 ] - [ -0.0032561400000000, 0.0000000000000000, -0.0010391500000000 ] - [ -0.0013345000000000, -0.0001829100000000, -0.0005049100000000 ] - [ -0.0013345000000000, 0.0001829100000000, -0.0005049100000000 ] - [ -0.0000618400000000, 0.0011394500000000, -0.0002327600000000 ] - [ -0.0000618400000000, -0.0011394500000000, -0.0002327600000000 ] - [ 0.0003447300000000, 0.0000000000000000, 0.0001379700000000 ]- atom: 46 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0022083500000000, 0.0021414500000000, 0.0000323000000000 ] - [ 0.0018743700000000, 0.0021753500000000, 0.0004723600000000 ] - [ -0.0001592300000000, -0.0036311500000000, 0.0002572300000000 ] - [ 0.0001158700000000, 0.0145449900000000, -0.0002681900000000 ] - [ -0.0032942600000000, -0.0044418600000000, 0.0001211500000000 ] - [ 0.0035697200000000, -0.0044497400000000, -0.0006253400000000 ] - [ 0.0003446700000000, 0.0160846600000000, 0.0002484300000000 ] - [ -0.0025199200000000, -0.0048366600000000, -0.0020236800000000 ] - [ 0.0032360500000000, -0.0048447200000000, 0.0024988200000000 ] - [ 0.0168888300000000, 0.0315876300000000, 0.0041943900000000 ] - [ -0.0190908900000000, 0.0333111600000000, -0.0051253400000000 ] - [ -0.0003741400000000, -0.0079204400000000, -0.0002553600000000 ] - [ -0.0001409600000000, 0.0013614400000000, 0.0002670400000000 ] - [ -0.0002077100000000, -0.0006836700000000, -0.0001656000000000 ] - [ -0.0000844900000000, -0.0006983800000000, 0.0006857400000000 ] - [ -0.0017145500000000, 0.0015398500000000, -0.0012293500000000 ] - [ 0.0020629700000000, 0.0015600400000000, 0.0007266700000000 ] - [ 0.0001725000000000, -0.0032847500000000, -0.0002555700000000 ] - [ -0.0005710400000000, 0.0009815400000000, 0.0005761000000000 ] - [ 0.0013283600000000, 0.0009936900000000, -0.0000696400000000 ] - [ 0.0003775400000000, -0.0019865800000000, 0.0002562700000000 ] - [ -0.0003546000000000, 0.0015561200000000, -0.0002505800000000 ] - [ -0.0007901200000000, -0.0007778200000000, 0.0000849400000000 ] - [ 0.0000603200000000, -0.0007932200000000, -0.0005802400000000 ] - [ -0.0003714100000000, 0.0007256800000000, -0.0001142200000000 ] - [ 0.0003525800000000, 0.0007354500000000, 0.0001079900000000 ] - [ -0.0000006200000000, -0.0007031500000000, 0.0000001000000000 ] - [ 0.0000036200000000, -0.0004607000000000, -0.0000006500000000 ] - [ -0.0005096300000000, 0.0004454100000000, 0.0006586100000000 ] - [ 0.0005035500000000, 0.0004450600000000, -0.0006467500000000 ] - [ 0.0000046200000000, 0.0017153900000000, 0.0000005100000000 ] - [ -0.0001564900000000, -0.0007346700000000, -0.0006048900000000 ] - [ 0.0001613600000000, -0.0007311200000000, 0.0005960200000000 ] - [ 0.0001459700000000, -0.0001766500000000, 0.0000698400000000 ] - [ -0.0001478100000000, -0.0001841600000000, -0.0000714400000000 ] - [ 0.0000005400000000, 0.0001983500000000, -0.0000010900000000 ] - [ -0.0001970200000000, -0.0007978300000000, -0.0003652900000000 ] - [ 0.0003488900000000, -0.0008248700000000, -0.0001016000000000 ] - [ 0.0000829600000000, 0.0013860300000000, -0.0002346400000000 ] - [ -0.0050635100000000, 0.0059302200000000, 0.0129816600000000 ] - [ 0.0054735300000000, 0.0059160400000000, -0.0130301300000000 ] - [ 0.0001764500000000, 0.0030204900000000, 0.0000402300000000 ] - [ -0.0000373500000000, -0.0043886300000000, -0.0000110100000000 ] - [ 0.0008086400000000, 0.0007366900000000, 0.0001843600000000 ] - [ -0.0008024300000000, 0.0007410100000000, -0.0001829700000000 ] - [ 0.0018354700000000, -0.1253730100000000, 0.0004346700000000 ] - [ 0.0035319600000000, 0.0074598200000000, 0.0010254500000000 ] - [ -0.0029320700000000, 0.0074093900000000, -0.0009107800000000 ] - [ -0.0001349300000000, -0.0041949100000000, -0.0000215900000000 ] - [ -0.0000561300000000, 0.0026457600000000, 0.0001391600000000 ] - [ -0.0002768000000000, 0.0026465800000000, -0.0002209100000000 ] - [ 0.0027235300000000, 0.0079809100000000, -0.0162458900000000 ] - [ -0.0033176600000000, 0.0079857400000000, 0.0163458800000000 ] - [ -0.0002793200000000, 0.0030852400000000, -0.0000437200000000 ] - [ -0.0000831000000000, -0.0017936100000000, 0.0002393600000000 ] - [ -0.0001630500000000, 0.0008455800000000, -0.0003833700000000 ] - [ -0.0000016700000000, 0.0008496400000000, 0.0008598800000000 ] - [ 0.0001024600000000, -0.0055827800000000, -0.0002351500000000 ] - [ -0.0050403600000000, 0.0069990100000000, -0.0035327700000000 ] - [ 0.0051484700000000, 0.0069162300000000, 0.0030010700000000 ] - [ 0.0001645500000000, -0.0010137200000000, 0.0000399800000000 ] - [ -0.0000045000000000, 0.0006148300000000, 0.0000654500000000 ] - [ 0.0003301900000000, 0.0006225800000000, 0.0000146500000000 ] - [ 0.0033082200000000, -0.0012640400000000, -0.0013572200000000 ] - [ -0.0033366200000000, -0.0013091600000000, 0.0013813300000000 ] - [ -0.0000019700000000, 0.0020204800000000, 0.0000028500000000 ] - [ 0.0007404600000000, -0.0003105900000000, 0.0002096900000000 ] - [ -0.0001876400000000, -0.0003177400000000, -0.0001077500000000 ] - [ 0.0002749100000000, 0.0006448700000000, 0.0000519300000000 ] - [ 0.0000909600000000, -0.0004445600000000, 0.0000203700000000 ] - [ -0.0004388700000000, -0.0004540000000000, -0.0001105800000000 ] - [ -0.0001757400000000, 0.0009251600000000, -0.0000472900000000 ] - [ -0.0002924800000000, -0.0008950400000000, -0.0000532400000000 ] - [ -0.0001004200000000, 0.0005030100000000, 0.0000097700000000 ] - [ -0.0004729200000000, 0.0005055200000000, -0.0001133300000000 ] - [ -0.0004577300000000, -0.0007708300000000, 0.0001490200000000 ] - [ 0.0002863600000000, -0.0007986300000000, 0.0003113200000000 ] - [ -0.0000809000000000, 0.0013793000000000, 0.0002345800000000 ]- atom: 46 displacement: [ -0.0033403566784967, 0.0000000000000000, 0.0094256043445724 ] forces: - [ 0.0028114800000000, -0.0005613400000000, -0.0074144100000000 ] - [ 0.0028114800000000, 0.0005613400000000, -0.0074144100000000 ] - [ 0.0002520700000000, 0.0000000000000000, -0.0005570400000000 ] - [ -0.0279819000000000, 0.0000000000000000, 0.0226226000000000 ] - [ 0.0015380500000000, 0.0039293200000000, 0.0007475500000000 ] - [ 0.0015380500000000, -0.0039293200000000, 0.0007475500000000 ] - [ 0.0063234200000000, 0.0000000000000000, 0.0313074400000000 ] - [ -0.0014386300000000, -0.0037899100000000, 0.0001742200000000 ] - [ -0.0014386300000000, 0.0037899100000000, 0.0001742200000000 ] - [ -0.0052628100000000, -0.0011465900000000, 0.0127782300000000 ] - [ -0.0052628100000000, 0.0011465900000000, 0.0127782300000000 ] - [ -0.0005943400000000, 0.0000000000000000, 0.0005075700000000 ] - [ -0.0018610900000000, 0.0000000000000000, 0.0001561100000000 ] - [ -0.0008541900000000, -0.0003232000000000, 0.0002395500000000 ] - [ -0.0008541900000000, 0.0003232000000000, 0.0002395500000000 ] - [ -0.0000535200000000, -0.0002860300000000, 0.0000883900000000 ] - [ -0.0000535200000000, 0.0002860300000000, 0.0000883900000000 ] - [ 0.0002127200000000, 0.0000000000000000, -0.0001558900000000 ] - [ 0.0006028400000000, 0.0000190900000000, -0.0002683900000000 ] - [ 0.0006028400000000, -0.0000190900000000, -0.0002683900000000 ] - [ 0.0003655800000000, 0.0000000000000000, 0.0000682800000000 ] - [ 0.0013629900000000, 0.0000000000000000, 0.0006877900000000 ] - [ 0.0002113500000000, 0.0004126600000000, 0.0001069300000000 ] - [ 0.0002113500000000, -0.0004126600000000, 0.0001069300000000 ] - [ -0.0002712500000000, -0.0000839900000000, 0.0007988500000000 ] - [ -0.0002712500000000, 0.0000839900000000, 0.0007988500000000 ] - [ -0.0000237100000000, 0.0000000000000000, 0.0001753000000000 ] - [ -0.0001387800000000, 0.0000000000000000, -0.0000553700000000 ] - [ -0.0002476500000000, 0.0000687600000000, 0.0000578700000000 ] - [ -0.0002476500000000, -0.0000687600000000, 0.0000578700000000 ] - [ -0.0002934400000000, 0.0000000000000000, -0.0002293600000000 ] - [ 0.0000627800000000, -0.0001819900000000, -0.0001035600000000 ] - [ 0.0000627800000000, 0.0001819900000000, -0.0001035600000000 ] - [ 0.0003977800000000, -0.0001230700000000, -0.0007191600000000 ] - [ 0.0003977800000000, 0.0001230700000000, -0.0007191600000000 ] - [ 0.0001151800000000, 0.0000000000000000, -0.0002489500000000 ] - [ -0.0028153500000000, 0.0032344500000000, -0.0010201600000000 ] - [ -0.0028153500000000, -0.0032344500000000, -0.0010201600000000 ] - [ -0.0006497500000000, 0.0000000000000000, -0.0002316000000000 ] - [ 0.0016769300000000, 0.0145362500000000, 0.0108835900000000 ] - [ 0.0016769300000000, -0.0145362500000000, 0.0108835900000000 ] - [ 0.0007787700000000, 0.0000000000000000, 0.0002614500000000 ] - [ 0.0010560200000000, 0.0000000000000000, -0.0046445900000000 ] - [ 0.0002880000000000, -0.0000984600000000, -0.0007228300000000 ] - [ 0.0002880000000000, 0.0000984600000000, -0.0007228300000000 ] - [ 0.0419366300000000, 0.0000000000000000, -0.1174024300000000 ] - [ 0.0011848200000000, 0.0001476600000000, -0.0019908400000000 ] - [ 0.0011848200000000, -0.0001476600000000, -0.0019908400000000 ] - [ -0.0037752900000000, 0.0000000000000000, 0.0145610200000000 ] - [ -0.0011619700000000, 0.0000494400000000, 0.0023889700000000 ] - [ -0.0011619700000000, -0.0000494400000000, 0.0023889700000000 ] - [ -0.0073960500000000, -0.0164827800000000, 0.0093998700000000 ] - [ -0.0073960500000000, 0.0164827800000000, 0.0093998700000000 ] - [ -0.0010170100000000, 0.0000000000000000, -0.0001916600000000 ] - [ -0.0000747600000000, 0.0000000000000000, 0.0011320700000000 ] - [ -0.0000700200000000, -0.0000314800000000, 0.0006660500000000 ] - [ -0.0000700200000000, 0.0000314800000000, 0.0006660500000000 ] - [ 0.0018305300000000, 0.0000000000000000, -0.0013291400000000 ] - [ -0.0002539600000000, 0.0005080000000000, -0.0007203100000000 ] - [ -0.0002539600000000, -0.0005080000000000, -0.0007203100000000 ] - [ 0.0002011000000000, 0.0000000000000000, 0.0001811700000000 ] - [ 0.0001181800000000, -0.0000741500000000, 0.0002300800000000 ] - [ 0.0001181800000000, 0.0000741500000000, 0.0002300800000000 ] - [ -0.0004276500000000, -0.0002737700000000, -0.0000584000000000 ] - [ -0.0004276500000000, 0.0002737700000000, -0.0000584000000000 ] - [ -0.0000721300000000, 0.0000000000000000, 0.0000415800000000 ] - [ -0.0002534500000000, 0.0000053400000000, -0.0001466500000000 ] - [ -0.0002534500000000, -0.0000053400000000, -0.0001466500000000 ] - [ -0.0001209800000000, 0.0000000000000000, 0.0000018500000000 ] - [ 0.0003172700000000, 0.0000833700000000, 0.0001174400000000 ] - [ 0.0003172700000000, -0.0000833700000000, 0.0001174400000000 ] - [ 0.0002473100000000, 0.0000000000000000, 0.0000977500000000 ] - [ -0.0003440000000000, 0.0000000000000000, -0.0002128400000000 ] - [ -0.0002038000000000, -0.0000034300000000, -0.0002577900000000 ] - [ -0.0002038000000000, 0.0000034300000000, -0.0002577900000000 ] - [ 0.0023613900000000, -0.0027357200000000, 0.0011258900000000 ] - [ 0.0023613900000000, 0.0027357200000000, 0.0011258900000000 ] - [ 0.0005437000000000, 0.0000000000000000, 0.0006949600000000 ]- atom: 46 displacement: [ 0.0033403566784967, 0.0000000000000000, -0.0094256043445724 ] forces: - [ -0.0030806700000000, 0.0005816100000000, 0.0079505100000000 ] - [ -0.0030806700000000, -0.0005816100000000, 0.0079505100000000 ] - [ -0.0005483900000000, 0.0000000000000000, 0.0010787300000000 ] - [ 0.0303561000000000, 0.0000000000000000, -0.0247322200000000 ] - [ -0.0012015800000000, -0.0039565300000000, -0.0012879100000000 ] - [ -0.0012015800000000, 0.0039565300000000, -0.0012879100000000 ] - [ -0.0049324100000000, 0.0000000000000000, -0.0287149400000000 ] - [ 0.0021859000000000, 0.0037672000000000, 0.0003614500000000 ] - [ 0.0021859000000000, -0.0037672000000000, 0.0003614500000000 ] - [ 0.0045893600000000, 0.0011344500000000, -0.0132715000000000 ] - [ 0.0045893600000000, -0.0011344500000000, -0.0132715000000000 ] - [ -0.0001427000000000, 0.0000000000000000, -0.0010048900000000 ] - [ 0.0015031100000000, 0.0000000000000000, 0.0003618900000000 ] - [ 0.0005220000000000, 0.0003153800000000, 0.0002750000000000 ] - [ 0.0005220000000000, -0.0003153800000000, 0.0002750000000000 ] - [ 0.0003312900000000, 0.0002847900000000, -0.0006115400000000 ] - [ 0.0003312900000000, -0.0002847900000000, -0.0006115400000000 ] - [ 0.0000756000000000, 0.0000000000000000, -0.0003652400000000 ] - [ 0.0001287700000000, -0.0000203600000000, 0.0007704700000000 ] - [ 0.0001287700000000, 0.0000203600000000, 0.0007704700000000 ] - [ 0.0003662200000000, 0.0000000000000000, 0.0004352200000000 ] - [ -0.0021437700000000, 0.0000000000000000, -0.0012265300000000 ] - [ -0.0009730800000000, -0.0004224300000000, -0.0006249800000000 ] - [ -0.0009730800000000, 0.0004224300000000, -0.0006249800000000 ] - [ 0.0002633300000000, 0.0000836800000000, -0.0008030000000000 ] - [ 0.0002633300000000, -0.0000836800000000, -0.0008030000000000 ] - [ 0.0000224800000000, 0.0000000000000000, -0.0001746600000000 ] - [ 0.0001527400000000, 0.0000000000000000, 0.0000433200000000 ] - [ 0.0002557100000000, -0.0000709000000000, -0.0000686600000000 ] - [ 0.0002557100000000, 0.0000709000000000, -0.0000686600000000 ] - [ 0.0003001900000000, 0.0000000000000000, 0.0002376800000000 ] - [ -0.0000616300000000, 0.0001807000000000, 0.0001094300000000 ] - [ -0.0000616300000000, -0.0001807000000000, 0.0001094300000000 ] - [ -0.0004003600000000, 0.0001173600000000, 0.0007205300000000 ] - [ -0.0004003600000000, -0.0001173600000000, 0.0007205300000000 ] - [ -0.0001145000000000, 0.0000000000000000, 0.0002475500000000 ] - [ 0.0030092700000000, -0.0032903900000000, 0.0005738700000000 ] - [ 0.0030092700000000, 0.0032903900000000, 0.0005738700000000 ] - [ 0.0008151600000000, 0.0000000000000000, -0.0002385900000000 ] - [ -0.0014025900000000, -0.0147292700000000, -0.0108551700000000 ] - [ -0.0014025900000000, 0.0147292700000000, -0.0108551700000000 ] - [ -0.0004530800000000, 0.0000000000000000, -0.0001688600000000 ] - [ -0.0011041700000000, 0.0000000000000000, 0.0046291200000000 ] - [ -0.0002891700000000, 0.0000914200000000, 0.0007223000000000 ] - [ -0.0002891700000000, -0.0000914200000000, 0.0007223000000000 ] - [ -0.0440155900000000, 0.0000000000000000, 0.1170784900000000 ] - [ -0.0006738400000000, -0.0001887100000000, 0.0020789300000000 ] - [ -0.0006738400000000, 0.0001887100000000, 0.0020789300000000 ] - [ 0.0033790500000000, 0.0000000000000000, -0.0147033000000000 ] - [ 0.0008196800000000, -0.0000353200000000, -0.0024754100000000 ] - [ 0.0008196800000000, 0.0000353200000000, -0.0024754100000000 ] - [ 0.0067598600000000, 0.0162539700000000, -0.0094828500000000 ] - [ 0.0067598600000000, -0.0162539700000000, -0.0094828500000000 ] - [ 0.0004445300000000, 0.0000000000000000, 0.0000739100000000 ] - [ -0.0000978400000000, 0.0000000000000000, -0.0006695400000000 ] - [ -0.0001037900000000, 0.0000349800000000, -0.0001930000000000 ] - [ -0.0001037900000000, -0.0000349800000000, -0.0001930000000000 ] - [ -0.0016137400000000, 0.0000000000000000, 0.0008970600000000 ] - [ 0.0004589200000000, -0.0005561400000000, 0.0002795400000000 ] - [ 0.0004589200000000, 0.0005561400000000, 0.0002795400000000 ] - [ 0.0001597200000000, 0.0000000000000000, -0.0000892400000000 ] - [ 0.0002407900000000, 0.0000773800000000, -0.0001376300000000 ] - [ 0.0002407900000000, -0.0000773800000000, -0.0001376300000000 ] - [ 0.0004437700000000, 0.0003061100000000, 0.0000326400000000 ] - [ 0.0004437700000000, -0.0003061100000000, 0.0000326400000000 ] - [ 0.0000744600000000, 0.0000000000000000, -0.0000476700000000 ] - [ 0.0008310400000000, -0.0000070200000000, 0.0002533500000000 ] - [ 0.0008310400000000, 0.0000070200000000, 0.0002533500000000 ] - [ 0.0006968000000000, 0.0000000000000000, 0.0001020800000000 ] - [ -0.0006448700000000, -0.0000830700000000, -0.0001981200000000 ] - [ -0.0006448700000000, 0.0000830700000000, -0.0001981200000000 ] - [ -0.0005775800000000, 0.0000000000000000, -0.0001777400000000 ] - [ -0.0002215300000000, 0.0000000000000000, 0.0001128900000000 ] - [ -0.0003558800000000, 0.0000027700000000, 0.0001585400000000 ] - [ -0.0003558800000000, -0.0000027700000000, 0.0001585400000000 ] - [ -0.0024913600000000, 0.0026886400000000, -0.0006577200000000 ] - [ -0.0024913600000000, -0.0026886400000000, -0.0006577200000000 ] - [ -0.0007025600000000, 0.0000000000000000, -0.0002226800000000 ]