# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/24d0d725-5d33-42ef-a25b-2ce5dd4f7365/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 ReNCl4 / I4 (79) / materials id 568100](https://mdr.nims.go.jp/datasets/f5e1c5f9-d16a-47b1-864d-cf3b65102eaf) ## 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: "I4" number: 79 Hall_symbol: "I 4"primitive_matrix:- [ -0.500000000000000, 0.500000000000000, 0.500000000000000 ]- [ 0.500000000000000, -0.500000000000000, 0.500000000000000 ]- [ 0.500000000000000, 0.500000000000000, -0.500000000000000 ]supercell_matrix:- [ 2, 0, 0 ]- [ 0, 2, 0 ]- [ 0, 0, 3 ]primitive_cell: lattice: - [ -4.193399810000001, 4.193399800000000, 1.984867105000000 ] # a - [ 4.193399810000001, -4.193399800000000, 1.984867105000000 ] # b - [ 4.193399800000000, 4.193399810000001, -1.984867105000000 ] # c points: - symbol: Re # 1 coordinates: [ 0.988932930000000, 0.988932930000000, 0.000000000000000 ] mass: 186.207000 - symbol: N # 2 coordinates: [ 0.561528900000000, 0.561528900000000, 0.000000000000000 ] mass: 14.006700 - symbol: Cl # 3 coordinates: [ 0.998319190000000, 0.814434620000000, 0.665534730000000 ] mass: 35.453000 - symbol: Cl # 4 coordinates: [ 0.814434620000000, 0.148899890000000, 0.816115430000000 ] mass: 35.453000 - symbol: Cl # 5 coordinates: [ 0.332784460000000, 0.998319190000000, 0.183884570000000 ] mass: 35.453000 - symbol: Cl # 6 coordinates: [ 0.148899890000000, 0.332784460000000, 0.334465270000000 ] mass: 35.453000 reciprocal_lattice: # without 2pi - [ -0.000000000142170, 0.119234993859595, 0.251906033779526 ] # a* - [ 0.119234993859595, 0.000000000142170, 0.251906033779526 ] # b* - [ 0.119234993717425, 0.119234994001764, 0.000000000000000 ] # c*unit_cell: lattice: - [ 8.386799610000001, 0.000000010000000, 0.000000000000000 ] # a - [ -0.000000010000000, 8.386799610000001, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 3.969734210000000 ] # c points: - symbol: Re # 1 coordinates: [ 0.000000000000000, 0.000000000000000, 0.988932930000000 ] mass: 186.207000 reduced_to: 1 - symbol: Re # 2 coordinates: [ 0.500000000000000, 0.500000000000000, 0.488932930000000 ] mass: 186.207000 reduced_to: 1 - symbol: N # 3 coordinates: [ 0.500000000000000, 0.500000000000000, 0.061528900000000 ] mass: 14.006700 reduced_to: 3 - symbol: N # 4 coordinates: [ 0.000000000000000, 0.000000000000000, 0.561528900000000 ] mass: 14.006700 reduced_to: 3 - symbol: Cl # 5 coordinates: [ 0.240825080000000, 0.424709650000000, 0.573609540000000 ] mass: 35.453000 reduced_to: 5 - symbol: Cl # 6 coordinates: [ 0.075290350000000, 0.740825080000000, 0.073609540000000 ] mass: 35.453000 reduced_to: 6 - symbol: Cl # 7 coordinates: [ 0.924709650000000, 0.259174920000000, 0.073609540000000 ] mass: 35.453000 reduced_to: 7 - symbol: Cl # 8 coordinates: [ 0.759174920000000, 0.575290350000000, 0.573609540000000 ] mass: 35.453000 reduced_to: 8 - symbol: Cl # 9 coordinates: [ 0.740825080000000, 0.924709650000000, 0.073609540000000 ] mass: 35.453000 reduced_to: 5 - symbol: Cl # 10 coordinates: [ 0.575290350000000, 0.240825080000000, 0.573609540000000 ] mass: 35.453000 reduced_to: 6 - symbol: Cl # 11 coordinates: [ 0.424709650000000, 0.759174920000000, 0.573609540000000 ] mass: 35.453000 reduced_to: 7 - symbol: Cl # 12 coordinates: [ 0.259174920000000, 0.075290350000000, 0.073609540000000 ] mass: 35.453000 reduced_to: 8supercell: lattice: - [ 16.773599220000001, 0.000000020000000, 0.000000000000000 ] # a - [ -0.000000020000000, 16.773599220000001, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 11.909202629999999 ] # c points: - symbol: Re # 1 coordinates: [ 0.000000000000000, 0.000000000000000, 0.329644310000000 ] mass: 186.207000 reduced_to: 1 - symbol: Re # 2 coordinates: [ 0.500000000000000, 0.000000000000000, 0.329644310000000 ] mass: 186.207000 reduced_to: 1 - symbol: Re # 3 coordinates: [ 0.000000000000000, 0.500000000000000, 0.329644310000000 ] mass: 186.207000 reduced_to: 1 - symbol: Re # 4 coordinates: [ 0.500000000000000, 0.500000000000000, 0.329644310000000 ] mass: 186.207000 reduced_to: 1 - symbol: Re # 5 coordinates: [ 0.000000000000000, 0.000000000000000, 0.662977643333333 ] mass: 186.207000 reduced_to: 1 - symbol: Re # 6 coordinates: [ 0.500000000000000, 0.000000000000000, 0.662977643333333 ] mass: 186.207000 reduced_to: 1 - symbol: Re # 7 coordinates: [ 0.000000000000000, 0.500000000000000, 0.662977643333333 ] mass: 186.207000 reduced_to: 1 - symbol: Re # 8 coordinates: [ 0.500000000000000, 0.500000000000000, 0.662977643333333 ] mass: 186.207000 reduced_to: 1 - symbol: Re # 9 coordinates: [ 0.000000000000000, 0.000000000000000, 0.996310976666667 ] mass: 186.207000 reduced_to: 1 - symbol: Re # 10 coordinates: [ 0.500000000000000, 0.000000000000000, 0.996310976666667 ] mass: 186.207000 reduced_to: 1 - symbol: Re # 11 coordinates: [ 0.000000000000000, 0.500000000000000, 0.996310976666667 ] mass: 186.207000 reduced_to: 1 - symbol: Re # 12 coordinates: [ 0.500000000000000, 0.500000000000000, 0.996310976666667 ] mass: 186.207000 reduced_to: 1 - symbol: Re # 13 coordinates: [ 0.250000000000000, 0.250000000000000, 0.162977643333333 ] mass: 186.207000 reduced_to: 1 - symbol: Re # 14 coordinates: [ 0.750000000000000, 0.250000000000000, 0.162977643333333 ] mass: 186.207000 reduced_to: 1 - symbol: Re # 15 coordinates: [ 0.250000000000000, 0.750000000000000, 0.162977643333333 ] mass: 186.207000 reduced_to: 1 - symbol: Re # 16 coordinates: [ 0.750000000000000, 0.750000000000000, 0.162977643333333 ] mass: 186.207000 reduced_to: 1 - symbol: Re # 17 coordinates: [ 0.250000000000000, 0.250000000000000, 0.496310976666667 ] mass: 186.207000 reduced_to: 1 - symbol: Re # 18 coordinates: [ 0.750000000000000, 0.250000000000000, 0.496310976666667 ] mass: 186.207000 reduced_to: 1 - symbol: Re # 19 coordinates: [ 0.250000000000000, 0.750000000000000, 0.496310976666667 ] mass: 186.207000 reduced_to: 1 - symbol: Re # 20 coordinates: [ 0.750000000000000, 0.750000000000000, 0.496310976666667 ] mass: 186.207000 reduced_to: 1 - symbol: Re # 21 coordinates: [ 0.250000000000000, 0.250000000000000, 0.829644310000000 ] mass: 186.207000 reduced_to: 1 - symbol: Re # 22 coordinates: [ 0.750000000000000, 0.250000000000000, 0.829644310000000 ] mass: 186.207000 reduced_to: 1 - symbol: Re # 23 coordinates: [ 0.250000000000000, 0.750000000000000, 0.829644310000000 ] mass: 186.207000 reduced_to: 1 - symbol: Re # 24 coordinates: [ 0.750000000000000, 0.750000000000000, 0.829644310000000 ] mass: 186.207000 reduced_to: 1 - symbol: N # 25 coordinates: [ 0.250000000000000, 0.250000000000000, 0.020509633333333 ] mass: 14.006700 reduced_to: 25 - symbol: N # 26 coordinates: [ 0.750000000000000, 0.250000000000000, 0.020509633333333 ] mass: 14.006700 reduced_to: 25 - symbol: N # 27 coordinates: [ 0.250000000000000, 0.750000000000000, 0.020509633333333 ] mass: 14.006700 reduced_to: 25 - symbol: N # 28 coordinates: [ 0.750000000000000, 0.750000000000000, 0.020509633333333 ] mass: 14.006700 reduced_to: 25 - symbol: N # 29 coordinates: [ 0.250000000000000, 0.250000000000000, 0.353842966666667 ] mass: 14.006700 reduced_to: 25 - symbol: N # 30 coordinates: [ 0.750000000000000, 0.250000000000000, 0.353842966666667 ] mass: 14.006700 reduced_to: 25 - symbol: N # 31 coordinates: [ 0.250000000000000, 0.750000000000000, 0.353842966666667 ] mass: 14.006700 reduced_to: 25 - symbol: N # 32 coordinates: [ 0.750000000000000, 0.750000000000000, 0.353842966666667 ] mass: 14.006700 reduced_to: 25 - symbol: N # 33 coordinates: [ 0.250000000000000, 0.250000000000000, 0.687176300000000 ] mass: 14.006700 reduced_to: 25 - symbol: N # 34 coordinates: [ 0.750000000000000, 0.250000000000000, 0.687176300000000 ] mass: 14.006700 reduced_to: 25 - symbol: N # 35 coordinates: [ 0.250000000000000, 0.750000000000000, 0.687176300000000 ] mass: 14.006700 reduced_to: 25 - symbol: N # 36 coordinates: [ 0.750000000000000, 0.750000000000000, 0.687176300000000 ] mass: 14.006700 reduced_to: 25 - symbol: N # 37 coordinates: [ 0.000000000000000, 0.000000000000000, 0.187176300000000 ] mass: 14.006700 reduced_to: 25 - symbol: N # 38 coordinates: [ 0.500000000000000, 0.000000000000000, 0.187176300000000 ] mass: 14.006700 reduced_to: 25 - symbol: N # 39 coordinates: [ 0.000000000000000, 0.500000000000000, 0.187176300000000 ] mass: 14.006700 reduced_to: 25 - symbol: N # 40 coordinates: [ 0.500000000000000, 0.500000000000000, 0.187176300000000 ] mass: 14.006700 reduced_to: 25 - symbol: N # 41 coordinates: [ 0.000000000000000, 0.000000000000000, 0.520509633333333 ] mass: 14.006700 reduced_to: 25 - symbol: N # 42 coordinates: [ 0.500000000000000, 0.000000000000000, 0.520509633333333 ] mass: 14.006700 reduced_to: 25 - symbol: N # 43 coordinates: [ 0.000000000000000, 0.500000000000000, 0.520509633333333 ] mass: 14.006700 reduced_to: 25 - symbol: N # 44 coordinates: [ 0.500000000000000, 0.500000000000000, 0.520509633333333 ] mass: 14.006700 reduced_to: 25 - symbol: N # 45 coordinates: [ 0.000000000000000, 0.000000000000000, 0.853842966666667 ] mass: 14.006700 reduced_to: 25 - symbol: N # 46 coordinates: [ 0.500000000000000, 0.000000000000000, 0.853842966666667 ] mass: 14.006700 reduced_to: 25 - symbol: N # 47 coordinates: [ 0.000000000000000, 0.500000000000000, 0.853842966666667 ] mass: 14.006700 reduced_to: 25 - symbol: N # 48 coordinates: [ 0.500000000000000, 0.500000000000000, 0.853842966666667 ] mass: 14.006700 reduced_to: 25 - symbol: Cl # 49 coordinates: [ 0.120412540000000, 0.212354825000000, 0.191203180000000 ] mass: 35.453000 reduced_to: 49 - symbol: Cl # 50 coordinates: [ 0.620412540000000, 0.212354825000000, 0.191203180000000 ] mass: 35.453000 reduced_to: 49 - symbol: Cl # 51 coordinates: [ 0.120412540000000, 0.712354825000000, 0.191203180000000 ] mass: 35.453000 reduced_to: 49 - symbol: Cl # 52 coordinates: [ 0.620412540000000, 0.712354825000000, 0.191203180000000 ] mass: 35.453000 reduced_to: 49 - symbol: Cl # 53 coordinates: [ 0.120412540000000, 0.212354825000000, 0.524536513333333 ] mass: 35.453000 reduced_to: 49 - symbol: Cl # 54 coordinates: [ 0.620412540000000, 0.212354825000000, 0.524536513333333 ] mass: 35.453000 reduced_to: 49 - symbol: Cl # 55 coordinates: [ 0.120412540000000, 0.712354825000000, 0.524536513333333 ] mass: 35.453000 reduced_to: 49 - symbol: Cl # 56 coordinates: [ 0.620412540000000, 0.712354825000000, 0.524536513333333 ] mass: 35.453000 reduced_to: 49 - symbol: Cl # 57 coordinates: [ 0.120412540000000, 0.212354825000000, 0.857869846666667 ] mass: 35.453000 reduced_to: 49 - symbol: Cl # 58 coordinates: [ 0.620412540000000, 0.212354825000000, 0.857869846666667 ] mass: 35.453000 reduced_to: 49 - symbol: Cl # 59 coordinates: [ 0.120412540000000, 0.712354825000000, 0.857869846666667 ] mass: 35.453000 reduced_to: 49 - symbol: Cl # 60 coordinates: [ 0.620412540000000, 0.712354825000000, 0.857869846666667 ] mass: 35.453000 reduced_to: 49 - symbol: Cl # 61 coordinates: [ 0.037645175000000, 0.370412540000000, 0.024536513333333 ] mass: 35.453000 reduced_to: 61 - symbol: Cl # 62 coordinates: [ 0.537645175000000, 0.370412540000000, 0.024536513333333 ] mass: 35.453000 reduced_to: 61 - symbol: Cl # 63 coordinates: [ 0.037645175000000, 0.870412540000000, 0.024536513333333 ] mass: 35.453000 reduced_to: 61 - symbol: Cl # 64 coordinates: [ 0.537645175000000, 0.870412540000000, 0.024536513333333 ] mass: 35.453000 reduced_to: 61 - symbol: Cl # 65 coordinates: [ 0.037645175000000, 0.370412540000000, 0.357869846666667 ] mass: 35.453000 reduced_to: 61 - symbol: Cl # 66 coordinates: [ 0.537645175000000, 0.370412540000000, 0.357869846666667 ] mass: 35.453000 reduced_to: 61 - symbol: Cl # 67 coordinates: [ 0.037645175000000, 0.870412540000000, 0.357869846666667 ] mass: 35.453000 reduced_to: 61 - symbol: Cl # 68 coordinates: [ 0.537645175000000, 0.870412540000000, 0.357869846666667 ] mass: 35.453000 reduced_to: 61 - symbol: Cl # 69 coordinates: [ 0.037645175000000, 0.370412540000000, 0.691203180000000 ] mass: 35.453000 reduced_to: 61 - symbol: Cl # 70 coordinates: [ 0.537645175000000, 0.370412540000000, 0.691203180000000 ] mass: 35.453000 reduced_to: 61 - symbol: Cl # 71 coordinates: [ 0.037645175000000, 0.870412540000000, 0.691203180000000 ] mass: 35.453000 reduced_to: 61 - symbol: Cl # 72 coordinates: [ 0.537645175000000, 0.870412540000000, 0.691203180000000 ] mass: 35.453000 reduced_to: 61 - symbol: Cl # 73 coordinates: [ 0.462354825000000, 0.129587460000000, 0.024536513333333 ] mass: 35.453000 reduced_to: 73 - symbol: Cl # 74 coordinates: [ 0.962354825000000, 0.129587460000000, 0.024536513333333 ] mass: 35.453000 reduced_to: 73 - symbol: Cl # 75 coordinates: [ 0.462354825000000, 0.629587460000000, 0.024536513333333 ] mass: 35.453000 reduced_to: 73 - symbol: Cl # 76 coordinates: [ 0.962354825000000, 0.629587460000000, 0.024536513333333 ] mass: 35.453000 reduced_to: 73 - symbol: Cl # 77 coordinates: [ 0.462354825000000, 0.129587460000000, 0.357869846666667 ] mass: 35.453000 reduced_to: 73 - symbol: Cl # 78 coordinates: [ 0.962354825000000, 0.129587460000000, 0.357869846666667 ] mass: 35.453000 reduced_to: 73 - symbol: Cl # 79 coordinates: [ 0.462354825000000, 0.629587460000000, 0.357869846666667 ] mass: 35.453000 reduced_to: 73 - symbol: Cl # 80 coordinates: [ 0.962354825000000, 0.629587460000000, 0.357869846666667 ] mass: 35.453000 reduced_to: 73 - symbol: Cl # 81 coordinates: [ 0.462354825000000, 0.129587460000000, 0.691203180000000 ] mass: 35.453000 reduced_to: 73 - symbol: Cl # 82 coordinates: [ 0.962354825000000, 0.129587460000000, 0.691203180000000 ] mass: 35.453000 reduced_to: 73 - symbol: Cl # 83 coordinates: [ 0.462354825000000, 0.629587460000000, 0.691203180000000 ] mass: 35.453000 reduced_to: 73 - symbol: Cl # 84 coordinates: [ 0.962354825000000, 0.629587460000000, 0.691203180000000 ] mass: 35.453000 reduced_to: 73 - symbol: Cl # 85 coordinates: [ 0.379587460000000, 0.287645175000000, 0.191203180000000 ] mass: 35.453000 reduced_to: 85 - symbol: Cl # 86 coordinates: [ 0.879587460000000, 0.287645175000000, 0.191203180000000 ] mass: 35.453000 reduced_to: 85 - symbol: Cl # 87 coordinates: [ 0.379587460000000, 0.787645175000000, 0.191203180000000 ] mass: 35.453000 reduced_to: 85 - symbol: Cl # 88 coordinates: [ 0.879587460000000, 0.787645175000000, 0.191203180000000 ] mass: 35.453000 reduced_to: 85 - symbol: Cl # 89 coordinates: [ 0.379587460000000, 0.287645175000000, 0.524536513333333 ] mass: 35.453000 reduced_to: 85 - symbol: Cl # 90 coordinates: [ 0.879587460000000, 0.287645175000000, 0.524536513333333 ] mass: 35.453000 reduced_to: 85 - symbol: Cl # 91 coordinates: [ 0.379587460000000, 0.787645175000000, 0.524536513333333 ] mass: 35.453000 reduced_to: 85 - symbol: Cl # 92 coordinates: [ 0.879587460000000, 0.787645175000000, 0.524536513333333 ] mass: 35.453000 reduced_to: 85 - symbol: Cl # 93 coordinates: [ 0.379587460000000, 0.287645175000000, 0.857869846666667 ] mass: 35.453000 reduced_to: 85 - symbol: Cl # 94 coordinates: [ 0.879587460000000, 0.287645175000000, 0.857869846666667 ] mass: 35.453000 reduced_to: 85 - symbol: Cl # 95 coordinates: [ 0.379587460000000, 0.787645175000000, 0.857869846666667 ] mass: 35.453000 reduced_to: 85 - symbol: Cl # 96 coordinates: [ 0.879587460000000, 0.787645175000000, 0.857869846666667 ] mass: 35.453000 reduced_to: 85 - symbol: Cl # 97 coordinates: [ 0.370412540000000, 0.462354825000000, 0.024536513333333 ] mass: 35.453000 reduced_to: 49 - symbol: Cl # 98 coordinates: [ 0.870412540000000, 0.462354825000000, 0.024536513333333 ] mass: 35.453000 reduced_to: 49 - symbol: Cl # 99 coordinates: [ 0.370412540000000, 0.962354825000000, 0.024536513333333 ] mass: 35.453000 reduced_to: 49 - symbol: Cl # 100 coordinates: [ 0.870412540000000, 0.962354825000000, 0.024536513333333 ] mass: 35.453000 reduced_to: 49 - symbol: Cl # 101 coordinates: [ 0.370412540000000, 0.462354825000000, 0.357869846666667 ] mass: 35.453000 reduced_to: 49 - symbol: Cl # 102 coordinates: [ 0.870412540000000, 0.462354825000000, 0.357869846666667 ] mass: 35.453000 reduced_to: 49 - symbol: Cl # 103 coordinates: [ 0.370412540000000, 0.962354825000000, 0.357869846666667 ] mass: 35.453000 reduced_to: 49 - symbol: Cl # 104 coordinates: [ 0.870412540000000, 0.962354825000000, 0.357869846666667 ] mass: 35.453000 reduced_to: 49 - symbol: Cl # 105 coordinates: [ 0.370412540000000, 0.462354825000000, 0.691203180000000 ] mass: 35.453000 reduced_to: 49 - symbol: Cl # 106 coordinates: [ 0.870412540000000, 0.462354825000000, 0.691203180000000 ] mass: 35.453000 reduced_to: 49 - symbol: Cl # 107 coordinates: [ 0.370412540000000, 0.962354825000000, 0.691203180000000 ] mass: 35.453000 reduced_to: 49 - symbol: Cl # 108 coordinates: [ 0.870412540000000, 0.962354825000000, 0.691203180000000 ] mass: 35.453000 reduced_to: 49 - symbol: Cl # 109 coordinates: [ 0.287645175000000, 0.120412540000000, 0.191203180000000 ] mass: 35.453000 reduced_to: 61 - symbol: Cl # 110 coordinates: [ 0.787645175000000, 0.120412540000000, 0.191203180000000 ] mass: 35.453000 reduced_to: 61 - symbol: Cl # 111 coordinates: [ 0.287645175000000, 0.620412540000000, 0.191203180000000 ] mass: 35.453000 reduced_to: 61 - symbol: Cl # 112 coordinates: [ 0.787645175000000, 0.620412540000000, 0.191203180000000 ] mass: 35.453000 reduced_to: 61 - symbol: Cl # 113 coordinates: [ 0.287645175000000, 0.120412540000000, 0.524536513333333 ] mass: 35.453000 reduced_to: 61 - symbol: Cl # 114 coordinates: [ 0.787645175000000, 0.120412540000000, 0.524536513333333 ] mass: 35.453000 reduced_to: 61 - symbol: Cl # 115 coordinates: [ 0.287645175000000, 0.620412540000000, 0.524536513333333 ] mass: 35.453000 reduced_to: 61 - symbol: Cl # 116 coordinates: [ 0.787645175000000, 0.620412540000000, 0.524536513333333 ] mass: 35.453000 reduced_to: 61 - symbol: Cl # 117 coordinates: [ 0.287645175000000, 0.120412540000000, 0.857869846666667 ] mass: 35.453000 reduced_to: 61 - symbol: Cl # 118 coordinates: [ 0.787645175000000, 0.120412540000000, 0.857869846666667 ] mass: 35.453000 reduced_to: 61 - symbol: Cl # 119 coordinates: [ 0.287645175000000, 0.620412540000000, 0.857869846666667 ] mass: 35.453000 reduced_to: 61 - symbol: Cl # 120 coordinates: [ 0.787645175000000, 0.620412540000000, 0.857869846666667 ] mass: 35.453000 reduced_to: 61 - symbol: Cl # 121 coordinates: [ 0.212354825000000, 0.379587460000000, 0.191203180000000 ] mass: 35.453000 reduced_to: 73 - symbol: Cl # 122 coordinates: [ 0.712354825000000, 0.379587460000000, 0.191203180000000 ] mass: 35.453000 reduced_to: 73 - symbol: Cl # 123 coordinates: [ 0.212354825000000, 0.879587460000000, 0.191203180000000 ] mass: 35.453000 reduced_to: 73 - symbol: Cl # 124 coordinates: [ 0.712354825000000, 0.879587460000000, 0.191203180000000 ] mass: 35.453000 reduced_to: 73 - symbol: Cl # 125 coordinates: [ 0.212354825000000, 0.379587460000000, 0.524536513333333 ] mass: 35.453000 reduced_to: 73 - symbol: Cl # 126 coordinates: [ 0.712354825000000, 0.379587460000000, 0.524536513333333 ] mass: 35.453000 reduced_to: 73 - symbol: Cl # 127 coordinates: [ 0.212354825000000, 0.879587460000000, 0.524536513333333 ] mass: 35.453000 reduced_to: 73 - symbol: Cl # 128 coordinates: [ 0.712354825000000, 0.879587460000000, 0.524536513333333 ] mass: 35.453000 reduced_to: 73 - symbol: Cl # 129 coordinates: [ 0.212354825000000, 0.379587460000000, 0.857869846666667 ] mass: 35.453000 reduced_to: 73 - symbol: Cl # 130 coordinates: [ 0.712354825000000, 0.379587460000000, 0.857869846666667 ] mass: 35.453000 reduced_to: 73 - symbol: Cl # 131 coordinates: [ 0.212354825000000, 0.879587460000000, 0.857869846666667 ] mass: 35.453000 reduced_to: 73 - symbol: Cl # 132 coordinates: [ 0.712354825000000, 0.879587460000000, 0.857869846666667 ] mass: 35.453000 reduced_to: 73 - symbol: Cl # 133 coordinates: [ 0.129587460000000, 0.037645175000000, 0.024536513333333 ] mass: 35.453000 reduced_to: 85 - symbol: Cl # 134 coordinates: [ 0.629587460000000, 0.037645175000000, 0.024536513333333 ] mass: 35.453000 reduced_to: 85 - symbol: Cl # 135 coordinates: [ 0.129587460000000, 0.537645175000000, 0.024536513333333 ] mass: 35.453000 reduced_to: 85 - symbol: Cl # 136 coordinates: [ 0.629587460000000, 0.537645175000000, 0.024536513333333 ] mass: 35.453000 reduced_to: 85 - symbol: Cl # 137 coordinates: [ 0.129587460000000, 0.037645175000000, 0.357869846666667 ] mass: 35.453000 reduced_to: 85 - symbol: Cl # 138 coordinates: [ 0.629587460000000, 0.037645175000000, 0.357869846666667 ] mass: 35.453000 reduced_to: 85 - symbol: Cl # 139 coordinates: [ 0.129587460000000, 0.537645175000000, 0.357869846666667 ] mass: 35.453000 reduced_to: 85 - symbol: Cl # 140 coordinates: [ 0.629587460000000, 0.537645175000000, 0.357869846666667 ] mass: 35.453000 reduced_to: 85 - symbol: Cl # 141 coordinates: [ 0.129587460000000, 0.037645175000000, 0.691203180000000 ] mass: 35.453000 reduced_to: 85 - symbol: Cl # 142 coordinates: [ 0.629587460000000, 0.037645175000000, 0.691203180000000 ] mass: 35.453000 reduced_to: 85 - symbol: Cl # 143 coordinates: [ 0.129587460000000, 0.537645175000000, 0.691203180000000 ] mass: 35.453000 reduced_to: 85 - symbol: Cl # 144 coordinates: [ 0.629587460000000, 0.537645175000000, 0.691203180000000 ] mass: 35.453000 reduced_to: 85born_effective_charge:- # 1 (Re) - [ 6.284092220000000, -0.562472810000000, 0.000000000000000 ] - [ 0.562472810000000, 6.284092220000000, 0.000000000000000 ] - [ 0.000000000000000, -0.000000000000000, 4.111548560000000 ]- # 2 (N) - [ -0.475699400000000, 0.150292880000000, 0.000000000000000 ] - [ -0.150292880000000, -0.475699400000000, -0.000000000000000 ] - [ 0.000000000000000, -0.000000000000000, -3.701748820000001 ]- # 3 (Cl) - [ -2.123074500000000, -0.487236800000000, 0.233570230000000 ] - [ -0.693326760000000, -0.781121910000000, 0.071500620000000 ] - [ 0.054332870000000, -0.007752310000000, -0.102449940000000 ]- # 4 (Cl) - [ -0.781121910000000, 0.693326760000000, -0.071500620000000 ] - [ 0.487236800000000, -2.123074500000000, 0.233570230000000 ] - [ 0.007752310000000, 0.054332870000000, -0.102449940000000 ]- # 5 (Cl) - [ -0.781121910000000, 0.693326760000000, 0.071500620000000 ] - [ 0.487236800000000, -2.123074500000000, -0.233570230000000 ] - [ -0.007752310000000, -0.054332870000000, -0.102449940000000 ]- # 6 (Cl) - [ -2.123074500000000, -0.487236800000000, -0.233570230000000 ] - [ -0.693326760000000, -0.781121910000000, -0.071500620000000 ] - [ -0.054332870000000, 0.007752310000000, -0.102449940000000 ]dielectric_constant: - [ 6.796701540000000, 0.000062480000000, 0.000000000000000 ] - [ -0.000062480000000, 6.796701540000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 5.330307150000000 ]displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000119235, 0.0000000000000000 ] forces: - [ -0.2283268300000000, -0.0000416500000000, 0.0127076600000000 ] - [ 0.0063697700000000, -0.0000704800000000, 0.0145771000000000 ] - [ -0.0028565500000000, 0.0000726900000000, 0.0145982700000000 ] - [ 0.0037509200000000, -0.0000023600000000, 0.0146160100000000 ] - [ -0.0153412200000000, 0.0000065600000000, 0.0147190400000000 ] - [ 0.0027421000000000, -0.0003995000000000, 0.0146064800000000 ] - [ -0.0022044600000000, 0.0004215900000000, 0.0145989400000000 ] - [ 0.0024846700000000, 0.0000022400000000, 0.0146282100000000 ] - [ -0.0153382100000000, -0.0000074900000000, 0.0145369900000000 ] - [ 0.0027384600000000, -0.0004193200000000, 0.0146063900000000 ] - [ -0.0021987600000000, 0.0003993700000000, 0.0145992600000000 ] - [ 0.0024939300000000, -0.0000048100000000, 0.0146013900000000 ] - [ 0.0033737100000000, 0.0054903800000000, 0.0144159300000000 ] - [ 0.0030928600000000, -0.0053562200000000, 0.0143056000000000 ] - [ 0.0031468400000000, -0.0053508400000000, 0.0148998800000000 ] - [ 0.0033860200000000, 0.0054765100000000, 0.0147516500000000 ] - [ 0.0033802600000000, 0.0053753500000000, 0.0155980900000000 ] - [ 0.0030980400000000, -0.0054817900000000, 0.0145684500000000 ] - [ 0.0031452800000000, -0.0054835500000000, 0.0146356600000000 ] - [ 0.0033726400000000, 0.0053417800000000, 0.0136295600000000 ] - [ 0.0001674000000000, 0.0005261700000000, 0.0137220500000000 ] - [ 0.0002611800000000, -0.0005100400000000, 0.0153150800000000 ] - [ 0.0002789100000000, -0.0005214000000000, 0.0138860700000000 ] - [ 0.0001548800000000, 0.0005170400000000, 0.0155051500000000 ] - [ -0.0000618700000000, 0.0001570500000000, -0.0174154700000000 ] - [ -0.0000238100000000, 0.0004084000000000, -0.0185960900000000 ] - [ -0.0000296800000000, 0.0004038900000000, -0.0174779600000000 ] - [ -0.0000591000000000, 0.0001714300000000, -0.0186865600000000 ] - [ -0.0001549400000000, -0.0004447500000000, -0.0184770800000000 ] - [ -0.0002750800000000, 0.0003652800000000, -0.0182118100000000 ] - [ -0.0002752200000000, 0.0003674100000000, -0.0179052600000000 ] - [ -0.0001504700000000, -0.0004430100000000, -0.0176070000000000 ] - [ -0.0000371800000000, -0.0001044600000000, -0.0183899900000000 ] - [ -0.0001523300000000, 0.0003457200000000, -0.0177558000000000 ] - [ -0.0001546600000000, 0.0003481100000000, -0.0183677700000000 ] - [ -0.0000361600000000, -0.0000988900000000, -0.0177256400000000 ] - [ 0.0339129500000000, -0.0000182000000000, -0.0164065200000000 ] - [ -0.0003398600000000, 0.0000838600000000, -0.0180750700000000 ] - [ 0.0001964600000000, -0.0000747600000000, -0.0180477200000000 ] - [ -0.0002796700000000, 0.0000526200000000, -0.0180465900000000 ] - [ 0.0084394000000000, -0.0000112700000000, -0.0184954400000000 ] - [ -0.0003173100000000, 0.0000485500000000, -0.0180430900000000 ] - [ 0.0002062700000000, -0.0000579000000000, -0.0180665600000000 ] - [ -0.0002633700000000, 0.0000173600000000, -0.0180439000000000 ] - [ 0.0026637700000000, -0.0000377200000000, -0.0180436400000000 ] - [ -0.0001999400000000, 0.0000783700000000, -0.0180580800000000 ] - [ 0.0001588000000000, -0.0000912300000000, -0.0180531200000000 ] - [ -0.0002195700000000, 0.0000786400000000, -0.0180745200000000 ] - [ -0.0003369900000000, -0.0002805100000000, 0.0009928500000000 ] - [ 0.0001651500000000, 0.0004836900000000, 0.0010379100000000 ] - [ 0.0014740000000000, 0.0007713000000000, 0.0008681000000000 ] - [ 0.0002795400000000, -0.0010826800000000, 0.0011196400000000 ] - [ -0.0005003800000000, -0.0004572300000000, 0.0009291700000000 ] - [ 0.0001496000000000, 0.0004794200000000, 0.0009482500000000 ] - [ 0.0015215600000000, 0.0007733400000000, 0.0008675700000000 ] - [ 0.0002309000000000, -0.0007921600000000, 0.0010649700000000 ] - [ 0.0015266100000000, 0.0003220300000000, 0.0009992500000000 ] - [ 0.0011377900000000, 0.0001757700000000, 0.0007771500000000 ] - [ 0.0015990100000000, 0.0003815800000000, 0.0009480800000000 ] - [ 0.0011231900000000, -0.0000159400000000, 0.0007387300000000 ] - [ 0.0000160500000000, 0.0011238300000000, 0.0008858600000000 ] - [ -0.0005130600000000, 0.0015896400000000, 0.0008301500000000 ] - [ 0.0007779600000000, 0.0012236700000000, 0.0015600300000000 ] - [ -0.0004732400000000, 0.0017290700000000, 0.0008763300000000 ] - [ 0.0000658000000000, 0.0010925900000000, 0.0008552500000000 ] - [ -0.0006878300000000, 0.0017517400000000, 0.0008305400000000 ] - [ 0.0121140000000000, -0.0217230700000000, 0.0028983600000000 ] - [ -0.0009608100000000, 0.0019018200000000, 0.0007993100000000 ] - [ 0.0000337700000000, 0.0010985800000000, 0.0009077400000000 ] - [ -0.0005406300000000, 0.0016348600000000, 0.0008705200000000 ] - [ 0.0005394900000000, 0.0007060300000000, 0.0009261500000000 ] - [ -0.0004804300000000, 0.0017482500000000, 0.0007885700000000 ] - [ -0.0000609400000000, -0.0010404500000000, 0.0008665100000000 ] - [ 0.0012748500000000, -0.0016442300000000, 0.0001890400000000 ] - [ -0.0000338400000000, -0.0012337400000000, 0.0008899800000000 ] - [ 0.0004474800000000, -0.0016742800000000, 0.0008397000000000 ] - [ -0.0005489700000000, -0.0008271600000000, 0.0009180600000000 ] - [ 0.0129588000000000, -0.0250102100000000, -0.0011682600000000 ] - [ -0.0001972500000000, -0.0011267500000000, 0.0008945300000000 ] - [ 0.0004907800000000, -0.0016946200000000, 0.0008598000000000 ] - [ -0.0000539400000000, -0.0010263600000000, 0.0009416200000000 ] - [ 0.0010392500000000, -0.0021984100000000, 0.0008149100000000 ] - [ -0.0000348000000000, -0.0012593000000000, 0.0008610000000000 ] - [ 0.0004543300000000, -0.0016606200000000, 0.0008037400000000 ] - [ -0.0025342000000000, -0.0014627600000000, 0.0006016300000000 ] - [ -0.0013201800000000, 0.0002358500000000, 0.0008836800000000 ] - [ -0.0026741800000000, -0.0000527900000000, 0.0006749800000000 ] - [ -0.0031887100000000, -0.0006300400000000, 0.0007421400000000 ] - [ -0.0026197700000000, -0.0011868400000000, 0.0006701700000000 ] - [ -0.0012596400000000, 0.0002403800000000, 0.0008485000000000 ] - [ -0.0026590700000000, -0.0000497300000000, 0.0007727600000000 ] - [ -0.0033629500000000, -0.0008152200000000, 0.0007898600000000 ] - [ -0.0017043300000000, -0.0003912200000000, 0.0009766900000000 ] - [ -0.0012161700000000, -0.0001525700000000, 0.0007675600000000 ] - [ -0.0016817700000000, -0.0003537200000000, 0.0009444400000000 ] - [ -0.0012985000000000, -0.0000595900000000, 0.0007274600000000 ] - [ 0.0005284600000000, -0.0000200800000000, 0.0009483700000000 ] - [ 0.0021308900000000, 0.0003656300000000, 0.0008183700000000 ] - [ 0.0004860700000000, 0.0000880700000000, 0.0009151500000000 ] - [ 0.0031724200000000, 0.0004019300000000, -0.0015517100000000 ] - [ 0.0001005800000000, -0.0001626200000000, 0.0009738000000000 ] - [ 0.0024185100000000, 0.0004986800000000, 0.0007558700000000 ] - [ -0.0006241100000000, -0.0003508700000000, 0.0012091100000000 ] - [ 0.0847124100000000, 0.0220900200000000, -0.0060623700000000 ] - [ 0.0005501000000000, 0.0000029700000000, 0.0009340700000000 ] - [ 0.0021387900000000, 0.0003645400000000, 0.0007655000000000 ] - [ 0.0005069600000000, 0.0000915700000000, 0.0010115400000000 ] - [ 0.0046914000000000, 0.0009335200000000, 0.0007847500000000 ] - [ 0.0003911300000000, -0.0000859900000000, 0.0005693500000000 ] - [ -0.0009115700000000, 0.0041013600000000, 0.0010391200000000 ] - [ -0.0009512000000000, 0.0026877100000000, 0.0005268900000000 ] - [ -0.0006612100000000, -0.0002849600000000, 0.0011655600000000 ] - [ 0.0003584000000000, -0.0000971500000000, 0.0013986100000000 ] - [ -0.0013922900000000, 0.0048131700000000, 0.0004928000000000 ] - [ -0.0007293700000000, 0.0024012400000000, 0.0006560000000000 ] - [ -0.0005498100000000, -0.0002220300000000, 0.0010588600000000 ] - [ -0.0002667600000000, 0.0014021100000000, 0.0010309200000000 ] - [ -0.0001082900000000, 0.0013564400000000, 0.0006921600000000 ] - [ -0.0003117100000000, 0.0017248300000000, 0.0010023800000000 ] - [ -0.0002191100000000, 0.0011429700000000, 0.0007220500000000 ] - [ -0.0001248300000000, -0.0031206400000000, 0.0005541900000000 ] - [ -0.0005630300000000, -0.0001562300000000, 0.0011962200000000 ] - [ -0.0005084700000000, 0.0012860600000000, 0.0006836100000000 ] - [ 0.0009415700000000, -0.0029028800000000, 0.0011668300000000 ] - [ -0.0000057600000000, -0.0030884700000000, 0.0006683500000000 ] - [ -0.0003559000000000, -0.0003960100000000, 0.0010692800000000 ] - [ -0.0010071700000000, 0.0020245000000000, 0.0012377000000000 ] - [ 0.0009300300000000, -0.0029194100000000, 0.0003191900000000 ] - [ 0.0003151800000000, -0.0017051100000000, 0.0009949500000000 ] - [ 0.0000578100000000, -0.0010783000000000, 0.0007036400000000 ] - [ 0.0002575900000000, -0.0014308300000000, 0.0010287000000000 ] - [ 0.0002647400000000, -0.0014300900000000, 0.0006962300000000 ] - [ 0.0003751900000000, -0.0000180100000000, 0.0031967200000000 ] - [ -0.0022452100000000, -0.0003832900000000, 0.0008271400000000 ] - [ -0.0006537500000000, -0.0001042500000000, 0.0009067800000000 ] - [ -0.0022975900000000, -0.0004442100000000, 0.0007520200000000 ] - [ 0.0869477300000000, 0.0233955100000000, 0.0084872100000000 ] - [ -0.0033382800000000, -0.0007986900000000, 0.0005142700000000 ] - [ -0.0003605100000000, 0.0000301400000000, 0.0009709500000000 ] - [ -0.0028165900000000, -0.0006228400000000, 0.0007508400000000 ] - [ 0.0017905700000000, 0.0004764400000000, 0.0009556000000000 ] - [ -0.0022880900000000, -0.0003845000000000, 0.0007038000000000 ] - [ -0.0006385300000000, -0.0001027700000000, 0.0009551900000000 ] - [ -0.0023340100000000, -0.0004551600000000, 0.0008142200000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.6087178400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0144266100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0144266100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0144386700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0536291000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0146455900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0146455900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0145708200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0532942400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0146433800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0146433800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0146078500000000 ] - [ -0.0009735500000000, -0.0000321600000000, 0.0146271300000000 ] - [ 0.0000321600000000, -0.0009735500000000, 0.0146271300000000 ] - [ -0.0000321600000000, 0.0009735500000000, 0.0146271300000000 ] - [ 0.0009735500000000, 0.0000321600000000, 0.0146271300000000 ] - [ 0.0001650900000000, -0.0003011200000000, 0.0146082800000000 ] - [ 0.0003011200000000, 0.0001650900000000, 0.0146082800000000 ] - [ -0.0003011200000000, -0.0001650900000000, 0.0146082800000000 ] - [ -0.0001650900000000, 0.0003011200000000, 0.0146082800000000 ] - [ 0.0008815600000000, 0.0007253700000000, 0.0147617100000000 ] - [ -0.0007253700000000, 0.0008815600000000, 0.0147617100000000 ] - [ 0.0007253700000000, -0.0008815600000000, 0.0147617100000000 ] - [ -0.0008815600000000, -0.0007253700000000, 0.0147617100000000 ] - [ 0.0000382200000000, 0.0000117700000000, -0.0182376400000000 ] - [ -0.0000117700000000, 0.0000382200000000, -0.0182376400000000 ] - [ 0.0000117700000000, -0.0000382200000000, -0.0182376400000000 ] - [ -0.0000382200000000, -0.0000117700000000, -0.0182376400000000 ] - [ 0.0000842000000000, 0.0001163800000000, -0.0179365200000000 ] - [ -0.0001163800000000, 0.0000842000000000, -0.0179365200000000 ] - [ 0.0001163800000000, -0.0000842000000000, -0.0179365200000000 ] - [ -0.0000842000000000, -0.0001163800000000, -0.0179365200000000 ] - [ -0.0000186200000000, -0.0000643600000000, -0.0179801900000000 ] - [ 0.0000643600000000, -0.0000186200000000, -0.0179801900000000 ] - [ -0.0000643600000000, 0.0000186200000000, -0.0179801900000000 ] - [ 0.0000186200000000, 0.0000643600000000, -0.0179801900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.4672389200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0180499200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0180499200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0180227000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0333463300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0179628100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0179628100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0179536600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0379767600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0181157000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0181157000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0180489600000000 ] - [ 0.0017865800000000, -0.0002363600000000, 0.0009187000000000 ] - [ 0.0012339400000000, 0.0003386800000000, 0.0008978000000000 ] - [ 0.0010830200000000, 0.0003355100000000, 0.0009897800000000 ] - [ 0.0012827600000000, 0.0001849200000000, 0.0009103500000000 ] - [ 0.0014011800000000, 0.0003164000000000, 0.0008235800000000 ] - [ 0.0013375400000000, 0.0002754500000000, 0.0008518200000000 ] - [ 0.0016299800000000, 0.0003099500000000, 0.0007817800000000 ] - [ 0.0013275500000000, 0.0001269600000000, 0.0008459900000000 ] - [ 0.0007758800000000, -0.0000829100000000, 0.0009541800000000 ] - [ 0.0016098400000000, 0.0001945800000000, 0.0008336400000000 ] - [ 0.0012063300000000, 0.0003254400000000, 0.0009267600000000 ] - [ 0.0015305600000000, 0.0002724200000000, 0.0008041100000000 ] - [ -0.0002270400000000, 0.0013751100000000, 0.0008879100000000 ] - [ -0.0002302600000000, 0.0014169200000000, 0.0008665100000000 ] - [ 0.0000638300000000, 0.0007168000000000, 0.0013024700000000 ] - [ -0.0002338200000000, 0.0013602300000000, 0.0008711900000000 ] - [ -0.0002570700000000, 0.0014279700000000, 0.0008844000000000 ] - [ -0.0002494600000000, 0.0014334800000000, 0.0008798700000000 ] - [ 0.0068035100000000, -0.0219564300000000, 0.0250580700000000 ] - [ -0.0002372600000000, 0.0013800500000000, 0.0008901700000000 ] - [ -0.0001657200000000, 0.0013213900000000, 0.0008421400000000 ] - [ -0.0002246800000000, 0.0013990200000000, 0.0008526400000000 ] - [ -0.0015058900000000, 0.0054086300000000, -0.0002723100000000 ] - [ -0.0002317400000000, 0.0014018700000000, 0.0008337800000000 ] - [ 0.0002338200000000, -0.0013602300000000, 0.0008711900000000 ] - [ -0.0000638300000000, -0.0007168000000000, 0.0013024700000000 ] - [ 0.0002302600000000, -0.0014169200000000, 0.0008665100000000 ] - [ 0.0002270400000000, -0.0013751100000000, 0.0008879100000000 ] - [ 0.0002372600000000, -0.0013800500000000, 0.0008901700000000 ] - [ -0.0068035100000000, 0.0219564300000000, 0.0250580700000000 ] - [ 0.0002494600000000, -0.0014334800000000, 0.0008798700000000 ] - [ 0.0002570700000000, -0.0014279700000000, 0.0008844000000000 ] - [ 0.0002317400000000, -0.0014018700000000, 0.0008337800000000 ] - [ 0.0015058900000000, -0.0054086300000000, -0.0002723100000000 ] - [ 0.0002246800000000, -0.0013990200000000, 0.0008526400000000 ] - [ 0.0001657200000000, -0.0013213900000000, 0.0008421400000000 ] - [ -0.0012827600000000, -0.0001849200000000, 0.0009103500000000 ] - [ -0.0010830200000000, -0.0003355100000000, 0.0009897800000000 ] - [ -0.0012339400000000, -0.0003386800000000, 0.0008978000000000 ] - [ -0.0017865800000000, 0.0002363600000000, 0.0009187000000000 ] - [ -0.0013275500000000, -0.0001269600000000, 0.0008459900000000 ] - [ -0.0016299800000000, -0.0003099500000000, 0.0007817800000000 ] - [ -0.0013375400000000, -0.0002754500000000, 0.0008518200000000 ] - [ -0.0014011800000000, -0.0003164000000000, 0.0008235800000000 ] - [ -0.0015305600000000, -0.0002724200000000, 0.0008041100000000 ] - [ -0.0012063300000000, -0.0003254400000000, 0.0009267600000000 ] - [ -0.0016098400000000, -0.0001945800000000, 0.0008336400000000 ] - [ -0.0007758800000000, 0.0000829100000000, 0.0009541800000000 ] - [ 0.0014169200000000, 0.0002302600000000, 0.0008665100000000 ] - [ 0.0013602300000000, 0.0002338200000000, 0.0008711900000000 ] - [ 0.0013751100000000, 0.0002270400000000, 0.0008879100000000 ] - [ 0.0007168000000000, -0.0000638300000000, 0.0013024700000000 ] - [ 0.0014334800000000, 0.0002494600000000, 0.0008798700000000 ] - [ 0.0013800500000000, 0.0002372600000000, 0.0008901700000000 ] - [ 0.0014279700000000, 0.0002570700000000, 0.0008844000000000 ] - [ -0.0219564300000000, -0.0068035100000000, 0.0250580700000000 ] - [ 0.0013990200000000, 0.0002246800000000, 0.0008526400000000 ] - [ 0.0014018700000000, 0.0002317400000000, 0.0008337800000000 ] - [ 0.0013213900000000, 0.0001657200000000, 0.0008421400000000 ] - [ 0.0054086300000000, 0.0015058900000000, -0.0002723100000000 ] - [ -0.0003355100000000, 0.0010830200000000, 0.0009897800000000 ] - [ 0.0002363600000000, 0.0017865800000000, 0.0009187000000000 ] - [ -0.0001849200000000, 0.0012827600000000, 0.0009103500000000 ] - [ -0.0003386800000000, 0.0012339400000000, 0.0008978000000000 ] - [ -0.0003099500000000, 0.0016299800000000, 0.0007817800000000 ] - [ -0.0003164000000000, 0.0014011800000000, 0.0008235800000000 ] - [ -0.0001269600000000, 0.0013275500000000, 0.0008459900000000 ] - [ -0.0002754500000000, 0.0013375400000000, 0.0008518200000000 ] - [ -0.0003254400000000, 0.0012063300000000, 0.0009267600000000 ] - [ 0.0000829100000000, 0.0007758800000000, 0.0009541800000000 ] - [ -0.0002724200000000, 0.0015305600000000, 0.0008041100000000 ] - [ -0.0001945800000000, 0.0016098400000000, 0.0008336400000000 ] - [ 0.0003386800000000, -0.0012339400000000, 0.0008978000000000 ] - [ 0.0001849200000000, -0.0012827600000000, 0.0009103500000000 ] - [ -0.0002363600000000, -0.0017865800000000, 0.0009187000000000 ] - [ 0.0003355100000000, -0.0010830200000000, 0.0009897800000000 ] - [ 0.0002754500000000, -0.0013375400000000, 0.0008518200000000 ] - [ 0.0001269600000000, -0.0013275500000000, 0.0008459900000000 ] - [ 0.0003164000000000, -0.0014011800000000, 0.0008235800000000 ] - [ 0.0003099500000000, -0.0016299800000000, 0.0007817800000000 ] - [ 0.0001945800000000, -0.0016098400000000, 0.0008336400000000 ] - [ 0.0002724200000000, -0.0015305600000000, 0.0008041100000000 ] - [ -0.0000829100000000, -0.0007758800000000, 0.0009541800000000 ] - [ 0.0003254400000000, -0.0012063300000000, 0.0009267600000000 ] - [ -0.0007168000000000, 0.0000638300000000, 0.0013024700000000 ] - [ -0.0013751100000000, -0.0002270400000000, 0.0008879100000000 ] - [ -0.0013602300000000, -0.0002338200000000, 0.0008711900000000 ] - [ -0.0014169200000000, -0.0002302600000000, 0.0008665100000000 ] - [ 0.0219564300000000, 0.0068035100000000, 0.0250580700000000 ] - [ -0.0014279700000000, -0.0002570700000000, 0.0008844000000000 ] - [ -0.0013800500000000, -0.0002372600000000, 0.0008901700000000 ] - [ -0.0014334800000000, -0.0002494600000000, 0.0008798700000000 ] - [ -0.0054086300000000, -0.0015058900000000, -0.0002723100000000 ] - [ -0.0013213900000000, -0.0001657200000000, 0.0008421400000000 ] - [ -0.0014018700000000, -0.0002317400000000, 0.0008337800000000 ] - [ -0.0013990200000000, -0.0002246800000000, 0.0008526400000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.6726637600000001 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0147435500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0147435500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0147080400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0237589600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0145097900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0145097900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0145215000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0241770600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0145061500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0145061500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0145496000000000 ] - [ 0.0009889700000000, 0.0000112600000000, 0.0145471500000000 ] - [ -0.0000112600000000, 0.0009889700000000, 0.0145471500000000 ] - [ 0.0000112600000000, -0.0009889700000000, 0.0145471500000000 ] - [ -0.0009889700000000, -0.0000112600000000, 0.0145471500000000 ] - [ -0.0001524400000000, 0.0002934700000000, 0.0145424100000000 ] - [ -0.0002934700000000, -0.0001524400000000, 0.0145424100000000 ] - [ 0.0002934700000000, 0.0001524400000000, 0.0145424100000000 ] - [ 0.0001524400000000, -0.0002934700000000, 0.0145424100000000 ] - [ -0.0008472700000000, -0.0006994000000000, 0.0144207100000000 ] - [ 0.0006994000000000, -0.0008472700000000, 0.0144207100000000 ] - [ -0.0006994000000000, 0.0008472700000000, 0.0144207100000000 ] - [ 0.0008472700000000, 0.0006994000000000, 0.0144207100000000 ] - [ -0.0000440700000000, -0.0000159400000000, -0.0178628300000000 ] - [ 0.0000159400000000, -0.0000440700000000, -0.0178628300000000 ] - [ -0.0000159400000000, 0.0000440700000000, -0.0178628300000000 ] - [ 0.0000440700000000, 0.0000159400000000, -0.0178628300000000 ] - [ -0.0000865200000000, -0.0001157900000000, -0.0181801300000000 ] - [ 0.0001157900000000, -0.0000865200000000, -0.0181801300000000 ] - [ -0.0001157900000000, 0.0000865200000000, -0.0181801300000000 ] - [ 0.0000865200000000, 0.0001157900000000, -0.0181801300000000 ] - [ 0.0000143600000000, 0.0000617000000000, -0.0181119700000000 ] - [ -0.0000617000000000, 0.0000143600000000, -0.0181119700000000 ] - [ 0.0000617000000000, -0.0000143600000000, -0.0181119700000000 ] - [ -0.0000143600000000, -0.0000617000000000, -0.0181119700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.5381800700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0180093900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0180093900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0180347900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0019851000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0181123400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0181123400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0181102600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0018776700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0179594900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0179594900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0179803100000000 ] - [ 0.0009957600000000, 0.0006651500000000, 0.0008253300000000 ] - [ 0.0015689100000000, 0.0001372800000000, 0.0008452200000000 ] - [ 0.0017290700000000, 0.0001472800000000, 0.0007501100000000 ] - [ 0.0015102100000000, 0.0002557900000000, 0.0008291200000000 ] - [ 0.0013671800000000, 0.0001109400000000, 0.0008951400000000 ] - [ 0.0014422600000000, 0.0001880800000000, 0.0008770300000000 ] - [ 0.0011499400000000, 0.0001763100000000, 0.0009375300000000 ] - [ 0.0014436700000000, 0.0003122000000000, 0.0008862700000000 ] - [ 0.0020058200000000, 0.0005175900000000, 0.0007914800000000 ] - [ 0.0012023000000000, 0.0002762100000000, 0.0009004500000000 ] - [ 0.0015916300000000, 0.0001507000000000, 0.0008122500000000 ] - [ 0.0012797200000000, 0.0001819800000000, 0.0009293300000000 ] - [ -0.0002344400000000, 0.0014210400000000, 0.0008406800000000 ] - [ -0.0002399000000000, 0.0014178400000000, 0.0008675200000000 ] - [ -0.0005389500000000, 0.0021265700000000, 0.0004455600000000 ] - [ -0.0002266300000000, 0.0014410600000000, 0.0008560000000000 ] - [ -0.0002132500000000, 0.0013922000000000, 0.0008481100000000 ] - [ -0.0002178500000000, 0.0013895000000000, 0.0008444000000000 ] - [ -0.0071997200000000, 0.0245702700000000, -0.0236308800000000 ] - [ -0.0002296200000000, 0.0014353300000000, 0.0008429400000000 ] - [ -0.0002975700000000, 0.0014803000000000, 0.0008749400000000 ] - [ -0.0002424100000000, 0.0013984100000000, 0.0008599900000000 ] - [ 0.0010258200000000, -0.0025578200000000, 0.0019644900000000 ] - [ -0.0002310300000000, 0.0013984300000000, 0.0008890200000000 ] - [ 0.0002266300000000, -0.0014410600000000, 0.0008560000000000 ] - [ 0.0005389500000000, -0.0021265700000000, 0.0004455600000000 ] - [ 0.0002399000000000, -0.0014178400000000, 0.0008675200000000 ] - [ 0.0002344400000000, -0.0014210400000000, 0.0008406800000000 ] - [ 0.0002296200000000, -0.0014353300000000, 0.0008429400000000 ] - [ 0.0071997200000000, -0.0245702700000000, -0.0236308800000000 ] - [ 0.0002178500000000, -0.0013895000000000, 0.0008444000000000 ] - [ 0.0002132500000000, -0.0013922000000000, 0.0008481100000000 ] - [ 0.0002310300000000, -0.0013984300000000, 0.0008890200000000 ] - [ -0.0010258200000000, 0.0025578200000000, 0.0019644900000000 ] - [ 0.0002424100000000, -0.0013984100000000, 0.0008599900000000 ] - [ 0.0002975700000000, -0.0014803000000000, 0.0008749400000000 ] - [ -0.0015102100000000, -0.0002557900000000, 0.0008291200000000 ] - [ -0.0017290700000000, -0.0001472800000000, 0.0007501100000000 ] - [ -0.0015689100000000, -0.0001372800000000, 0.0008452200000000 ] - [ -0.0009957600000000, -0.0006651500000000, 0.0008253300000000 ] - [ -0.0014436700000000, -0.0003122000000000, 0.0008862700000000 ] - [ -0.0011499400000000, -0.0001763100000000, 0.0009375300000000 ] - [ -0.0014422600000000, -0.0001880800000000, 0.0008770300000000 ] - [ -0.0013671800000000, -0.0001109400000000, 0.0008951400000000 ] - [ -0.0012797200000000, -0.0001819800000000, 0.0009293300000000 ] - [ -0.0015916300000000, -0.0001507000000000, 0.0008122500000000 ] - [ -0.0012023000000000, -0.0002762100000000, 0.0009004500000000 ] - [ -0.0020058200000000, -0.0005175900000000, 0.0007914800000000 ] - [ 0.0014178400000000, 0.0002399000000000, 0.0008675200000000 ] - [ 0.0014410600000000, 0.0002266300000000, 0.0008560000000000 ] - [ 0.0014210400000000, 0.0002344400000000, 0.0008406800000000 ] - [ 0.0021265700000000, 0.0005389500000000, 0.0004455600000000 ] - [ 0.0013895000000000, 0.0002178500000000, 0.0008444000000000 ] - [ 0.0014353300000000, 0.0002296200000000, 0.0008429400000000 ] - [ 0.0013922000000000, 0.0002132500000000, 0.0008481100000000 ] - [ 0.0245702700000000, 0.0071997200000000, -0.0236308800000000 ] - [ 0.0013984100000000, 0.0002424100000000, 0.0008599900000000 ] - [ 0.0013984300000000, 0.0002310300000000, 0.0008890200000000 ] - [ 0.0014803000000000, 0.0002975700000000, 0.0008749400000000 ] - [ -0.0025578200000000, -0.0010258200000000, 0.0019644900000000 ] - [ -0.0001472800000000, 0.0017290700000000, 0.0007501100000000 ] - [ -0.0006651500000000, 0.0009957600000000, 0.0008253300000000 ] - [ -0.0002557900000000, 0.0015102100000000, 0.0008291200000000 ] - [ -0.0001372800000000, 0.0015689100000000, 0.0008452200000000 ] - [ -0.0001763100000000, 0.0011499400000000, 0.0009375300000000 ] - [ -0.0001109400000000, 0.0013671800000000, 0.0008951400000000 ] - [ -0.0003122000000000, 0.0014436700000000, 0.0008862700000000 ] - [ -0.0001880800000000, 0.0014422600000000, 0.0008770300000000 ] - [ -0.0001507000000000, 0.0015916300000000, 0.0008122500000000 ] - [ -0.0005175900000000, 0.0020058200000000, 0.0007914800000000 ] - [ -0.0001819800000000, 0.0012797200000000, 0.0009293300000000 ] - [ -0.0002762100000000, 0.0012023000000000, 0.0009004500000000 ] - [ 0.0001372800000000, -0.0015689100000000, 0.0008452200000000 ] - [ 0.0002557900000000, -0.0015102100000000, 0.0008291200000000 ] - [ 0.0006651500000000, -0.0009957600000000, 0.0008253300000000 ] - [ 0.0001472800000000, -0.0017290700000000, 0.0007501100000000 ] - [ 0.0001880800000000, -0.0014422600000000, 0.0008770300000000 ] - [ 0.0003122000000000, -0.0014436700000000, 0.0008862700000000 ] - [ 0.0001109400000000, -0.0013671800000000, 0.0008951400000000 ] - [ 0.0001763100000000, -0.0011499400000000, 0.0009375300000000 ] - [ 0.0002762100000000, -0.0012023000000000, 0.0009004500000000 ] - [ 0.0001819800000000, -0.0012797200000000, 0.0009293300000000 ] - [ 0.0005175900000000, -0.0020058200000000, 0.0007914800000000 ] - [ 0.0001507000000000, -0.0015916300000000, 0.0008122500000000 ] - [ -0.0021265700000000, -0.0005389500000000, 0.0004455600000000 ] - [ -0.0014210400000000, -0.0002344400000000, 0.0008406800000000 ] - [ -0.0014410600000000, -0.0002266300000000, 0.0008560000000000 ] - [ -0.0014178400000000, -0.0002399000000000, 0.0008675200000000 ] - [ -0.0245702700000000, -0.0071997200000000, -0.0236308800000000 ] - [ -0.0013922000000000, -0.0002132500000000, 0.0008481100000000 ] - [ -0.0014353300000000, -0.0002296200000000, 0.0008429400000000 ] - [ -0.0013895000000000, -0.0002178500000000, 0.0008444000000000 ] - [ 0.0025578200000000, 0.0010258200000000, 0.0019644900000000 ] - [ -0.0014803000000000, -0.0002975700000000, 0.0008749400000000 ] - [ -0.0013984300000000, -0.0002310300000000, 0.0008890200000000 ] - [ -0.0013984100000000, -0.0002424100000000, 0.0008599900000000 ]- atom: 25 displacement: [ 0.0100000000000000, 0.0000000000119235, 0.0000000000000000 ] forces: - [ -0.0000593800000000, -0.0004033600000000, 0.0146405800000000 ] - [ -0.0000231000000000, -0.0001626900000000, 0.0145874100000000 ] - [ -0.0000271300000000, -0.0001645500000000, 0.0146238800000000 ] - [ -0.0000637800000000, -0.0004076000000000, 0.0145697700000000 ] - [ -0.0000387400000000, -0.0003428300000000, 0.0146044000000000 ] - [ -0.0001482400000000, 0.0001015200000000, 0.0146709000000000 ] - [ -0.0001544200000000, 0.0001017400000000, 0.0145385400000000 ] - [ -0.0000399700000000, -0.0003521500000000, 0.0146276900000000 ] - [ -0.0001526900000000, -0.0003634200000000, 0.0146862100000000 ] - [ -0.0002708800000000, 0.0004472200000000, 0.0144986300000000 ] - [ -0.0002743400000000, 0.0004433800000000, 0.0147234900000000 ] - [ -0.0001513700000000, -0.0003660800000000, 0.0145176700000000 ] - [ 0.0339149900000000, 0.0000184700000000, 0.0130771200000000 ] - [ -0.0003396800000000, 0.0000751600000000, 0.0146127100000000 ] - [ 0.0001965300000000, -0.0000796300000000, 0.0146057200000000 ] - [ -0.0002754300000000, -0.0000515700000000, 0.0146006000000000 ] - [ 0.0026660200000000, 0.0000388500000000, 0.0145674500000000 ] - [ -0.0001979900000000, 0.0000880600000000, 0.0146011400000000 ] - [ 0.0001555700000000, -0.0000728600000000, 0.0146121000000000 ] - [ -0.0002167200000000, -0.0000806100000000, 0.0145988400000000 ] - [ 0.0084383600000000, 0.0000138400000000, 0.0145466000000000 ] - [ -0.0003151400000000, 0.0000592800000000, 0.0146084300000000 ] - [ 0.0002057300000000, -0.0000426400000000, 0.0146018000000000 ] - [ -0.0002609200000000, -0.0000187400000000, 0.0146214600000000 ] - [ -0.0628340200000000, -0.0000032100000000, -0.0165806400000000 ] - [ 0.0000210900000000, -0.0000075100000000, -0.0180551800000000 ] - [ -0.0000115400000000, 0.0000089500000000, -0.0180367000000000 ] - [ 0.0000436800000000, 0.0000014000000000, -0.0180700300000000 ] - [ -0.0006177700000000, -0.0000021000000000, -0.0180958100000000 ] - [ 0.0000187100000000, -0.0000105200000000, -0.0180465100000000 ] - [ -0.0000134500000000, 0.0000115800000000, -0.0180583300000000 ] - [ 0.0000225900000000, 0.0000038500000000, -0.0180289600000000 ] - [ -0.0006172300000000, -0.0000005300000000, -0.0178667300000000 ] - [ 0.0000184400000000, -0.0000120900000000, -0.0180334600000000 ] - [ -0.0000127700000000, 0.0000123700000000, -0.0180615400000000 ] - [ 0.0000229400000000, -0.0000015000000000, -0.0180630100000000 ] - [ 0.0000082000000000, 0.0000291600000000, -0.0180368800000000 ] - [ -0.0000238500000000, 0.0000029000000000, -0.0180065200000000 ] - [ -0.0000228100000000, -0.0000029100000000, -0.0180853700000000 ] - [ 0.0000092000000000, 0.0000254100000000, -0.0180234400000000 ] - [ -0.0000363900000000, -0.0000113500000000, -0.0180534400000000 ] - [ 0.0000004500000000, 0.0000164200000000, -0.0180684500000000 ] - [ 0.0000006500000000, 0.0000121600000000, -0.0179970300000000 ] - [ -0.0000358200000000, -0.0000157300000000, -0.0180722200000000 ] - [ 0.0000081200000000, 0.0000026400000000, -0.0180352500000000 ] - [ -0.0000222000000000, -0.0000240200000000, -0.0180871400000000 ] - [ -0.0000213300000000, -0.0000267500000000, -0.0180087000000000 ] - [ 0.0000091300000000, -0.0000016500000000, -0.0180555200000000 ] - [ 0.0077625200000000, 0.0030514400000000, -0.0113936600000000 ] - [ 0.0014902500000000, 0.0002488000000000, 0.0008367100000000 ] - [ 0.0013623800000000, 0.0002266100000000, 0.0008724400000000 ] - [ 0.0015176500000000, 0.0002602600000000, 0.0008534100000000 ] - [ 0.0012686300000000, 0.0002416900000000, 0.0012421800000000 ] - [ 0.0014568700000000, 0.0002422900000000, 0.0008531300000000 ] - [ 0.0013654100000000, 0.0002316000000000, 0.0008646500000000 ] - [ 0.0015290300000000, 0.0002619600000000, 0.0008582000000000 ] - [ 0.0081245000000000, 0.0026058300000000, 0.0074425900000000 ] - [ 0.0014999400000000, 0.0002517900000000, 0.0008497700000000 ] - [ 0.0013409900000000, 0.0002205100000000, 0.0008632700000000 ] - [ 0.0015321000000000, 0.0002580800000000, 0.0008643400000000 ] - [ -0.0002096100000000, 0.0012630800000000, 0.0008815700000000 ] - [ -0.0003768300000000, 0.0014782400000000, 0.0008838000000000 ] - [ -0.0002586900000000, 0.0015403000000000, 0.0008371100000000 ] - [ -0.0001246000000000, 0.0013082900000000, 0.0009148200000000 ] - [ -0.0004860900000000, 0.0016273300000000, 0.0010080300000000 ] - [ -0.0003822700000000, 0.0015567000000000, 0.0007685800000000 ] - [ -0.0002600000000000, 0.0015696500000000, 0.0008390300000000 ] - [ -0.0001881200000000, 0.0013913600000000, 0.0008604700000000 ] - [ -0.0001837600000000, 0.0013907200000000, 0.0008431900000000 ] - [ -0.0003218700000000, 0.0015282500000000, 0.0008720200000000 ] - [ -0.0002428800000000, 0.0015249400000000, 0.0008398500000000 ] - [ -0.0001647200000000, 0.0013897500000000, 0.0008645500000000 ] - [ 0.0001933500000000, -0.0015748300000000, 0.0008437600000000 ] - [ 0.0001599900000000, -0.0013472000000000, 0.0008380400000000 ] - [ 0.0002703200000000, -0.0013108200000000, 0.0008790900000000 ] - [ 0.0002661800000000, -0.0015302400000000, 0.0008066000000000 ] - [ -0.0000924100000000, -0.0011871000000000, 0.0006986800000000 ] - [ 0.0001442700000000, -0.0013076500000000, 0.0009482500000000 ] - [ 0.0002812500000000, -0.0013126900000000, 0.0008822400000000 ] - [ 0.0002080400000000, -0.0014384400000000, 0.0008595800000000 ] - [ 0.0002214200000000, -0.0014504400000000, 0.0008752200000000 ] - [ 0.0002144000000000, -0.0013106400000000, 0.0008537100000000 ] - [ 0.0002822100000000, -0.0013243100000000, 0.0008688900000000 ] - [ 0.0002345300000000, -0.0014618200000000, 0.0008541000000000 ] - [ 0.0049921300000000, 0.0026431300000000, 0.0133244900000000 ] - [ -0.0012853800000000, -0.0002021900000000, 0.0008809800000000 ] - [ -0.0014921100000000, -0.0002421400000000, 0.0008506200000000 ] - [ -0.0013304200000000, -0.0001908600000000, 0.0008714400000000 ] - [ -0.0015948100000000, -0.0002260600000000, 0.0004858800000000 ] - [ -0.0013374300000000, -0.0002188400000000, 0.0008571200000000 ] - [ -0.0014595800000000, -0.0002293000000000, 0.0008580100000000 ] - [ -0.0013574800000000, -0.0001945400000000, 0.0008677600000000 ] - [ 0.0054762000000000, 0.0022141500000000, -0.0059235200000000 ] - [ -0.0013181900000000, -0.0002170800000000, 0.0008752200000000 ] - [ -0.0014742300000000, -0.0002433900000000, 0.0008549000000000 ] - [ -0.0013539100000000, -0.0002054500000000, 0.0008678100000000 ] - [ 0.0015215600000000, 0.0000411800000000, 0.0009299400000000 ] - [ 0.0015451400000000, 0.0002340400000000, 0.0008393500000000 ] - [ 0.0014294800000000, 0.0002241700000000, 0.0008464300000000 ] - [ 0.0015057500000000, 0.0002901200000000, 0.0008294200000000 ] - [ 0.0013530100000000, 0.0000775200000000, 0.0007866600000000 ] - [ 0.0013918600000000, 0.0003057300000000, 0.0008497700000000 ] - [ 0.0014484900000000, 0.0002875200000000, 0.0008283700000000 ] - [ 0.0015256800000000, 0.0002953200000000, 0.0008529200000000 ] - [ 0.0014436200000000, 0.0001730100000000, 0.0008788300000000 ] - [ 0.0014789700000000, 0.0002681400000000, 0.0008520000000000 ] - [ 0.0014569400000000, 0.0002592200000000, 0.0008478800000000 ] - [ 0.0014918500000000, 0.0002797700000000, 0.0008509500000000 ] - [ -0.0023501600000000, -0.0012444300000000, 0.0045122300000000 ] - [ -0.0001705600000000, 0.0013430900000000, 0.0008712000000000 ] - [ -0.0002579200000000, 0.0014718200000000, 0.0008544000000000 ] - [ -0.0002089000000000, 0.0014227300000000, 0.0008632900000000 ] - [ -0.0004176700000000, 0.0014061600000000, 0.0007554500000000 ] - [ -0.0002023800000000, 0.0013430000000000, 0.0008625400000000 ] - [ -0.0002503400000000, 0.0014362900000000, 0.0008621300000000 ] - [ -0.0002216700000000, 0.0014691500000000, 0.0008617700000000 ] - [ -0.0007467800000000, -0.0009288200000000, -0.0010765700000000 ] - [ -0.0001901500000000, 0.0013591500000000, 0.0008582100000000 ] - [ -0.0002465200000000, 0.0014280500000000, 0.0008587800000000 ] - [ -0.0002137900000000, 0.0014317900000000, 0.0008671800000000 ] - [ -0.0018504300000000, -0.0041719400000000, -0.0027969100000000 ] - [ 0.0002629900000000, -0.0014567300000000, 0.0008482000000000 ] - [ 0.0002028800000000, -0.0013686700000000, 0.0008771700000000 ] - [ 0.0002665300000000, -0.0014217600000000, 0.0008505300000000 ] - [ 0.0000618400000000, -0.0014611900000000, 0.0009666800000000 ] - [ 0.0002306000000000, -0.0014419000000000, 0.0008551900000000 ] - [ 0.0001986100000000, -0.0013702800000000, 0.0008727300000000 ] - [ 0.0002679500000000, -0.0014319500000000, 0.0008659700000000 ] - [ -0.0002719600000000, -0.0037575000000000, 0.0028137600000000 ] - [ 0.0002611200000000, -0.0014567800000000, 0.0008572000000000 ] - [ 0.0001938000000000, -0.0013625400000000, 0.0008646000000000 ] - [ 0.0002690800000000, -0.0014568900000000, 0.0008685600000000 ] - [ -0.0012989400000000, -0.0003526600000000, 0.0007845700000000 ] - [ -0.0012967400000000, -0.0002886900000000, 0.0008877200000000 ] - [ -0.0014253900000000, -0.0003080900000000, 0.0008653300000000 ] - [ -0.0013085200000000, -0.0000963700000000, 0.0008804700000000 ] - [ -0.0015391400000000, -0.0003386800000000, 0.0009344800000000 ] - [ -0.0014419000000000, -0.0002128400000000, 0.0008580000000000 ] - [ -0.0013815700000000, -0.0002301000000000, 0.0008877900000000 ] - [ -0.0013494900000000, -0.0001089300000000, 0.0008664700000000 ] - [ -0.0014000600000000, -0.0002337100000000, 0.0008366900000000 ] - [ -0.0014031800000000, -0.0002737100000000, 0.0008561600000000 ] - [ -0.0014113300000000, -0.0002637300000000, 0.0008639400000000 ] - [ -0.0013327800000000, -0.0000945400000000, 0.0008763800000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0006337600000000, 0.0005544200000000, 0.0144135600000000 ] - [ -0.0005544200000000, 0.0006337600000000, 0.0144135600000000 ] - [ 0.0005544200000000, -0.0006337600000000, 0.0144135600000000 ] - [ -0.0006337600000000, -0.0005544200000000, 0.0144135600000000 ] - [ -0.0003260000000000, -0.0002916000000000, 0.0146318000000000 ] - [ 0.0002916000000000, -0.0003260000000000, 0.0146318000000000 ] - [ -0.0002916000000000, 0.0003260000000000, 0.0146318000000000 ] - [ 0.0003260000000000, 0.0002916000000000, 0.0146318000000000 ] - [ -0.0004461400000000, 0.0001414900000000, 0.0147071400000000 ] - [ -0.0001414900000000, -0.0004461400000000, 0.0147071400000000 ] - [ 0.0001414900000000, 0.0004461400000000, 0.0147071400000000 ] - [ 0.0004461400000000, -0.0001414900000000, 0.0147071400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.5343097600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0145872800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0145872800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0145953600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0052947300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0145305500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0145305500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0145405900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016953300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0146701700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0146701700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0146194900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.6252456000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0181251500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0181251500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0181696600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0305467100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0180211600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0180211600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0179910800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0297509300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0180207400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0180207400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0180270600000000 ] - [ -0.0000070800000000, -0.0000268300000000, -0.0180895700000000 ] - [ 0.0000268300000000, -0.0000070800000000, -0.0180895700000000 ] - [ -0.0000268300000000, 0.0000070800000000, -0.0180895700000000 ] - [ 0.0000070800000000, 0.0000268300000000, -0.0180895700000000 ] - [ -0.0000095500000000, -0.0000400900000000, -0.0178912600000000 ] - [ 0.0000400900000000, -0.0000095500000000, -0.0178912600000000 ] - [ -0.0000400900000000, 0.0000095500000000, -0.0178912600000000 ] - [ 0.0000095500000000, 0.0000400900000000, -0.0178912600000000 ] - [ 0.0000174200000000, 0.0000353100000000, -0.0180928700000000 ] - [ -0.0000353100000000, 0.0000174200000000, -0.0180928700000000 ] - [ 0.0000353100000000, -0.0000174200000000, -0.0180928700000000 ] - [ -0.0000174200000000, -0.0000353100000000, -0.0180928700000000 ] - [ -0.0096343300000000, -0.0028765500000000, 0.0040403000000000 ] - [ 0.0014442500000000, 0.0002623000000000, 0.0008806100000000 ] - [ 0.0013911200000000, 0.0002102700000000, 0.0008791200000000 ] - [ 0.0014135900000000, 0.0002342800000000, 0.0008713600000000 ] - [ 0.0010551500000000, 0.0001153000000000, 0.0015474500000000 ] - [ 0.0014217100000000, 0.0002436600000000, 0.0008592100000000 ] - [ 0.0014148200000000, 0.0002302700000000, 0.0008632500000000 ] - [ 0.0014239800000000, 0.0002406300000000, 0.0008805400000000 ] - [ 0.0090525200000000, 0.0026010900000000, 0.0039940900000000 ] - [ 0.0013641900000000, 0.0001990400000000, 0.0008590600000000 ] - [ 0.0014142200000000, 0.0002222300000000, 0.0008542700000000 ] - [ 0.0013698000000000, 0.0002076700000000, 0.0008517500000000 ] - [ -0.0003747800000000, 0.0011451900000000, 0.0009690600000000 ] - [ -0.0001990600000000, 0.0016576100000000, 0.0007536700000000 ] - [ -0.0001873500000000, 0.0014960100000000, 0.0008569400000000 ] - [ -0.0001953500000000, 0.0014513800000000, 0.0008397400000000 ] - [ -0.0003920000000000, 0.0018374100000000, 0.0008098700000000 ] - [ -0.0001978900000000, 0.0015785800000000, 0.0008787500000000 ] - [ -0.0002833700000000, 0.0012746400000000, 0.0009068400000000 ] - [ -0.0001595300000000, 0.0013133200000000, 0.0009279500000000 ] - [ -0.0002804500000000, 0.0012397500000000, 0.0007943100000000 ] - [ -0.0001586700000000, 0.0013773000000000, 0.0007772900000000 ] - [ -0.0001858800000000, 0.0015156800000000, 0.0008151600000000 ] - [ -0.0003108300000000, 0.0014986300000000, 0.0008153200000000 ] - [ 0.0003747800000000, -0.0011451900000000, 0.0009690600000000 ] - [ 0.0001990600000000, -0.0016576100000000, 0.0007536700000000 ] - [ 0.0001873500000000, -0.0014960100000000, 0.0008569400000000 ] - [ 0.0001953500000000, -0.0014513800000000, 0.0008397400000000 ] - [ 0.0003920000000000, -0.0018374100000000, 0.0008098700000000 ] - [ 0.0001978900000000, -0.0015785800000000, 0.0008787500000000 ] - [ 0.0002833700000000, -0.0012746400000000, 0.0009068400000000 ] - [ 0.0001595300000000, -0.0013133200000000, 0.0009279500000000 ] - [ 0.0002804500000000, -0.0012397500000000, 0.0007943100000000 ] - [ 0.0001586700000000, -0.0013773000000000, 0.0007772900000000 ] - [ 0.0001858800000000, -0.0015156800000000, 0.0008151600000000 ] - [ 0.0003108300000000, -0.0014986300000000, 0.0008153200000000 ] - [ 0.0096343300000000, 0.0028765500000000, 0.0040403000000000 ] - [ -0.0014442500000000, -0.0002623000000000, 0.0008806100000000 ] - [ -0.0013911200000000, -0.0002102700000000, 0.0008791200000000 ] - [ -0.0014135900000000, -0.0002342800000000, 0.0008713600000000 ] - [ -0.0010551500000000, -0.0001153000000000, 0.0015474500000000 ] - [ -0.0014217100000000, -0.0002436600000000, 0.0008592100000000 ] - [ -0.0014148200000000, -0.0002302700000000, 0.0008632500000000 ] - [ -0.0014239800000000, -0.0002406300000000, 0.0008805400000000 ] - [ -0.0090525200000000, -0.0026010900000000, 0.0039940900000000 ] - [ -0.0013641900000000, -0.0001990400000000, 0.0008590600000000 ] - [ -0.0014142200000000, -0.0002222300000000, 0.0008542700000000 ] - [ -0.0013698000000000, -0.0002076700000000, 0.0008517500000000 ] - [ 0.0011451900000000, 0.0003747800000000, 0.0009690600000000 ] - [ 0.0014960100000000, 0.0001873500000000, 0.0008569400000000 ] - [ 0.0016576100000000, 0.0001990600000000, 0.0007536700000000 ] - [ 0.0014513800000000, 0.0001953500000000, 0.0008397400000000 ] - [ 0.0018374100000000, 0.0003920000000000, 0.0008098700000000 ] - [ 0.0012746400000000, 0.0002833700000000, 0.0009068400000000 ] - [ 0.0015785800000000, 0.0001978900000000, 0.0008787500000000 ] - [ 0.0013133200000000, 0.0001595300000000, 0.0009279500000000 ] - [ 0.0012397500000000, 0.0002804500000000, 0.0007943100000000 ] - [ 0.0015156800000000, 0.0001858800000000, 0.0008151600000000 ] - [ 0.0013773000000000, 0.0001586700000000, 0.0007772900000000 ] - [ 0.0014986300000000, 0.0003108300000000, 0.0008153200000000 ] - [ 0.0028765500000000, -0.0096343300000000, 0.0040403000000000 ] - [ -0.0002102700000000, 0.0013911200000000, 0.0008791200000000 ] - [ -0.0002623000000000, 0.0014442500000000, 0.0008806100000000 ] - [ -0.0002342800000000, 0.0014135900000000, 0.0008713600000000 ] - [ -0.0001153000000000, 0.0010551500000000, 0.0015474500000000 ] - [ -0.0002302700000000, 0.0014148200000000, 0.0008632500000000 ] - [ -0.0002436600000000, 0.0014217100000000, 0.0008592100000000 ] - [ -0.0002406300000000, 0.0014239800000000, 0.0008805400000000 ] - [ -0.0026010900000000, 0.0090525200000000, 0.0039940900000000 ] - [ -0.0002222300000000, 0.0014142200000000, 0.0008542700000000 ] - [ -0.0001990400000000, 0.0013641900000000, 0.0008590600000000 ] - [ -0.0002076700000000, 0.0013698000000000, 0.0008517500000000 ] - [ -0.0028765500000000, 0.0096343300000000, 0.0040403000000000 ] - [ 0.0002102700000000, -0.0013911200000000, 0.0008791200000000 ] - [ 0.0002623000000000, -0.0014442500000000, 0.0008806100000000 ] - [ 0.0002342800000000, -0.0014135900000000, 0.0008713600000000 ] - [ 0.0001153000000000, -0.0010551500000000, 0.0015474500000000 ] - [ 0.0002302700000000, -0.0014148200000000, 0.0008632500000000 ] - [ 0.0002436600000000, -0.0014217100000000, 0.0008592100000000 ] - [ 0.0002406300000000, -0.0014239800000000, 0.0008805400000000 ] - [ 0.0026010900000000, -0.0090525200000000, 0.0039940900000000 ] - [ 0.0002222300000000, -0.0014142200000000, 0.0008542700000000 ] - [ 0.0001990400000000, -0.0013641900000000, 0.0008590600000000 ] - [ 0.0002076700000000, -0.0013698000000000, 0.0008517500000000 ] - [ -0.0011451900000000, -0.0003747800000000, 0.0009690600000000 ] - [ -0.0014960100000000, -0.0001873500000000, 0.0008569400000000 ] - [ -0.0016576100000000, -0.0001990600000000, 0.0007536700000000 ] - [ -0.0014513800000000, -0.0001953500000000, 0.0008397400000000 ] - [ -0.0018374100000000, -0.0003920000000000, 0.0008098700000000 ] - [ -0.0012746400000000, -0.0002833700000000, 0.0009068400000000 ] - [ -0.0015785800000000, -0.0001978900000000, 0.0008787500000000 ] - [ -0.0013133200000000, -0.0001595300000000, 0.0009279500000000 ] - [ -0.0012397500000000, -0.0002804500000000, 0.0007943100000000 ] - [ -0.0015156800000000, -0.0001858800000000, 0.0008151600000000 ] - [ -0.0013773000000000, -0.0001586700000000, 0.0007772900000000 ] - [ -0.0014986300000000, -0.0003108300000000, 0.0008153200000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0006342100000000, -0.0005543700000000, 0.0148695600000000 ] - [ 0.0005543700000000, -0.0006342100000000, 0.0148695600000000 ] - [ -0.0005543700000000, 0.0006342100000000, 0.0148695600000000 ] - [ 0.0006342100000000, 0.0005543700000000, 0.0148695600000000 ] - [ 0.0003325400000000, 0.0002941900000000, 0.0146090300000000 ] - [ -0.0002941900000000, 0.0003325400000000, 0.0146090300000000 ] - [ 0.0002941900000000, -0.0003325400000000, 0.0146090300000000 ] - [ -0.0003325400000000, -0.0002941900000000, 0.0146090300000000 ] - [ 0.0004390000000000, -0.0001462200000000, 0.0145468600000000 ] - [ 0.0001462200000000, 0.0004390000000000, 0.0145468600000000 ] - [ -0.0001462200000000, -0.0004390000000000, 0.0145468600000000 ] - [ -0.0004390000000000, 0.0001462200000000, 0.0145468600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.4709309700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0147080100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0147080100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0146822100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0346538800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0147594900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0147594900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0147377600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0296790200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0146162400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0146162400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0146366800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.5573620200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0181096200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0181096200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0180932400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0662581100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0182079900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0182079900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0181856400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0669631100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0181980600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0181980600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0181974600000000 ] - [ 0.0000099300000000, 0.0000296700000000, -0.0181041400000000 ] - [ -0.0000296700000000, 0.0000099300000000, -0.0181041400000000 ] - [ 0.0000296700000000, -0.0000099300000000, -0.0181041400000000 ] - [ -0.0000099300000000, -0.0000296700000000, -0.0181041400000000 ] - [ 0.0000122700000000, 0.0000425800000000, -0.0183040000000000 ] - [ -0.0000425800000000, 0.0000122700000000, -0.0183040000000000 ] - [ 0.0000425800000000, -0.0000122700000000, -0.0183040000000000 ] - [ -0.0000122700000000, -0.0000425800000000, -0.0183040000000000 ] - [ -0.0000132400000000, -0.0000319300000000, -0.0180966100000000 ] - [ 0.0000319300000000, -0.0000132400000000, -0.0180966100000000 ] - [ -0.0000319300000000, 0.0000132400000000, -0.0180966100000000 ] - [ 0.0000132400000000, 0.0000319300000000, -0.0180966100000000 ] - [ 0.0122117300000000, 0.0032866400000000, -0.0024696100000000 ] - [ 0.0012600600000000, 0.0001882600000000, 0.0008594500000000 ] - [ 0.0013232200000000, 0.0002366700000000, 0.0008610800000000 ] - [ 0.0013287400000000, 0.0002247900000000, 0.0008655200000000 ] - [ 0.0016556700000000, 0.0003365100000000, 0.0002150000000000 ] - [ 0.0012930300000000, 0.0002103800000000, 0.0008797900000000 ] - [ 0.0013049200000000, 0.0002193300000000, 0.0008755100000000 ] - [ 0.0013442500000000, 0.0002268500000000, 0.0008652600000000 ] - [ -0.0064691300000000, -0.0021927800000000, -0.0022876200000000 ] - [ 0.0013574000000000, 0.0002578300000000, 0.0008806700000000 ] - [ 0.0013171800000000, 0.0002321100000000, 0.0008844000000000 ] - [ 0.0013738400000000, 0.0002518300000000, 0.0008843600000000 ] - [ -0.0000710200000000, 0.0016117000000000, 0.0007542600000000 ] - [ -0.0002975200000000, 0.0011082300000000, 0.0009741100000000 ] - [ -0.0003081300000000, 0.0012796200000000, 0.0008704900000000 ] - [ -0.0002370700000000, 0.0013146600000000, 0.0008856700000000 ] - [ -0.0000612700000000, 0.0009337500000000, 0.0009257200000000 ] - [ -0.0002928000000000, 0.0011919100000000, 0.0008552700000000 ] - [ -0.0002139600000000, 0.0015030600000000, 0.0008265800000000 ] - [ -0.0002737600000000, 0.0014580200000000, 0.0008082500000000 ] - [ -0.0001539300000000, 0.0015043600000000, 0.0009328300000000 ] - [ -0.0003357600000000, 0.0013683900000000, 0.0009525000000000 ] - [ -0.0003073800000000, 0.0012380600000000, 0.0009057200000000 ] - [ -0.0001102600000000, 0.0012433400000000, 0.0009092800000000 ] - [ 0.0000710200000000, -0.0016117000000000, 0.0007542600000000 ] - [ 0.0002975200000000, -0.0011082300000000, 0.0009741100000000 ] - [ 0.0003081300000000, -0.0012796200000000, 0.0008704900000000 ] - [ 0.0002370700000000, -0.0013146600000000, 0.0008856700000000 ] - [ 0.0000612700000000, -0.0009337500000000, 0.0009257200000000 ] - [ 0.0002928000000000, -0.0011919100000000, 0.0008552700000000 ] - [ 0.0002139600000000, -0.0015030600000000, 0.0008265800000000 ] - [ 0.0002737600000000, -0.0014580200000000, 0.0008082500000000 ] - [ 0.0001539300000000, -0.0015043600000000, 0.0009328300000000 ] - [ 0.0003357600000000, -0.0013683900000000, 0.0009525000000000 ] - [ 0.0003073800000000, -0.0012380600000000, 0.0009057200000000 ] - [ 0.0001102600000000, -0.0012433400000000, 0.0009092800000000 ] - [ -0.0122117300000000, -0.0032866400000000, -0.0024696100000000 ] - [ -0.0012600600000000, -0.0001882600000000, 0.0008594500000000 ] - [ -0.0013232200000000, -0.0002366700000000, 0.0008610800000000 ] - [ -0.0013287400000000, -0.0002247900000000, 0.0008655200000000 ] - [ -0.0016556700000000, -0.0003365100000000, 0.0002150000000000 ] - [ -0.0012930300000000, -0.0002103800000000, 0.0008797900000000 ] - [ -0.0013049200000000, -0.0002193300000000, 0.0008755100000000 ] - [ -0.0013442500000000, -0.0002268500000000, 0.0008652600000000 ] - [ 0.0064691300000000, 0.0021927800000000, -0.0022876200000000 ] - [ -0.0013574000000000, -0.0002578300000000, 0.0008806700000000 ] - [ -0.0013171800000000, -0.0002321100000000, 0.0008844000000000 ] - [ -0.0013738400000000, -0.0002518300000000, 0.0008843600000000 ] - [ 0.0016117000000000, 0.0000710200000000, 0.0007542600000000 ] - [ 0.0012796200000000, 0.0003081300000000, 0.0008704900000000 ] - [ 0.0011082300000000, 0.0002975200000000, 0.0009741100000000 ] - [ 0.0013146600000000, 0.0002370700000000, 0.0008856700000000 ] - [ 0.0009337500000000, 0.0000612700000000, 0.0009257200000000 ] - [ 0.0015030600000000, 0.0002139600000000, 0.0008265800000000 ] - [ 0.0011919100000000, 0.0002928000000000, 0.0008552700000000 ] - [ 0.0014580200000000, 0.0002737600000000, 0.0008082500000000 ] - [ 0.0015043600000000, 0.0001539300000000, 0.0009328300000000 ] - [ 0.0012380600000000, 0.0003073800000000, 0.0009057200000000 ] - [ 0.0013683900000000, 0.0003357600000000, 0.0009525000000000 ] - [ 0.0012433400000000, 0.0001102600000000, 0.0009092800000000 ] - [ -0.0032866400000000, 0.0122117300000000, -0.0024696100000000 ] - [ -0.0002366700000000, 0.0013232200000000, 0.0008610800000000 ] - [ -0.0001882600000000, 0.0012600600000000, 0.0008594500000000 ] - [ -0.0002247900000000, 0.0013287400000000, 0.0008655200000000 ] - [ -0.0003365100000000, 0.0016556700000000, 0.0002150000000000 ] - [ -0.0002193300000000, 0.0013049200000000, 0.0008755100000000 ] - [ -0.0002103800000000, 0.0012930300000000, 0.0008797900000000 ] - [ -0.0002268500000000, 0.0013442500000000, 0.0008652600000000 ] - [ 0.0021927800000000, -0.0064691300000000, -0.0022876200000000 ] - [ -0.0002321100000000, 0.0013171800000000, 0.0008844000000000 ] - [ -0.0002578300000000, 0.0013574000000000, 0.0008806700000000 ] - [ -0.0002518300000000, 0.0013738400000000, 0.0008843600000000 ] - [ 0.0032866400000000, -0.0122117300000000, -0.0024696100000000 ] - [ 0.0002366700000000, -0.0013232200000000, 0.0008610800000000 ] - [ 0.0001882600000000, -0.0012600600000000, 0.0008594500000000 ] - [ 0.0002247900000000, -0.0013287400000000, 0.0008655200000000 ] - [ 0.0003365100000000, -0.0016556700000000, 0.0002150000000000 ] - [ 0.0002193300000000, -0.0013049200000000, 0.0008755100000000 ] - [ 0.0002103800000000, -0.0012930300000000, 0.0008797900000000 ] - [ 0.0002268500000000, -0.0013442500000000, 0.0008652600000000 ] - [ -0.0021927800000000, 0.0064691300000000, -0.0022876200000000 ] - [ 0.0002321100000000, -0.0013171800000000, 0.0008844000000000 ] - [ 0.0002578300000000, -0.0013574000000000, 0.0008806700000000 ] - [ 0.0002518300000000, -0.0013738400000000, 0.0008843600000000 ] - [ -0.0016117000000000, -0.0000710200000000, 0.0007542600000000 ] - [ -0.0012796200000000, -0.0003081300000000, 0.0008704900000000 ] - [ -0.0011082300000000, -0.0002975200000000, 0.0009741100000000 ] - [ -0.0013146600000000, -0.0002370700000000, 0.0008856700000000 ] - [ -0.0009337500000000, -0.0000612700000000, 0.0009257200000000 ] - [ -0.0015030600000000, -0.0002139600000000, 0.0008265800000000 ] - [ -0.0011919100000000, -0.0002928000000000, 0.0008552700000000 ] - [ -0.0014580200000000, -0.0002737600000000, 0.0008082500000000 ] - [ -0.0015043600000000, -0.0001539300000000, 0.0009328300000000 ] - [ -0.0012380600000000, -0.0003073800000000, 0.0009057200000000 ] - [ -0.0013683900000000, -0.0003357600000000, 0.0009525000000000 ] - [ -0.0012433400000000, -0.0001102600000000, 0.0009092800000000 ]- atom: 49 displacement: [ 0.0100000000000000, 0.0000000000119235, 0.0000000000000000 ] forces: - [ -0.0017590200000000, -0.0026994800000000, 0.0150363200000000 ] - [ -0.0012439600000000, 0.0017338600000000, 0.0144620200000000 ] - [ 0.0000620100000000, 0.0014836000000000, 0.0143223900000000 ] - [ -0.0011427400000000, -0.0012598200000000, 0.0145286500000000 ] - [ 0.0001540000000000, 0.0000375900000000, 0.0140237600000000 ] - [ -0.0002712900000000, 0.0003311700000000, 0.0148443400000000 ] - [ 0.0001994800000000, -0.0000335200000000, 0.0144384200000000 ] - [ -0.0003331100000000, -0.0003361500000000, 0.0147618900000000 ] - [ -0.0019252500000000, -0.0034200000000000, 0.0146499600000000 ] - [ -0.0012393100000000, 0.0016885800000000, 0.0145923400000000 ] - [ 0.0001129300000000, 0.0014897400000000, 0.0148767600000000 ] - [ -0.0012109800000000, -0.0009964800000000, 0.0145769400000000 ] - [ 0.0883236800000000, 0.0242970000000000, -0.0091855900000000 ] - [ -0.0019761200000000, 0.0002955600000000, 0.0146779900000000 ] - [ 0.0010287200000000, -0.0005346700000000, 0.0146394100000000 ] - [ -0.0013622000000000, -0.0003075100000000, 0.0146537100000000 ] - [ 0.0017882900000000, 0.0002091800000000, 0.0139278500000000 ] - [ -0.0008859800000000, 0.0002746700000000, 0.0146232600000000 ] - [ 0.0007412900000000, -0.0003384600000000, 0.0146288100000000 ] - [ -0.0008823500000000, -0.0001822700000000, 0.0146179600000000 ] - [ 0.0032456300000000, 0.0007550800000000, 0.0186189000000000 ] - [ -0.0008861900000000, 0.0002814100000000, 0.0145706700000000 ] - [ 0.0007505700000000, -0.0003521400000000, 0.0146549400000000 ] - [ -0.0009016600000000, -0.0001909800000000, 0.0146255300000000 ] - [ 0.0063985500000000, 0.0027327300000000, -0.0291092700000000 ] - [ 0.0000997000000000, -0.0000450000000000, -0.0180552000000000 ] - [ -0.0000635200000000, 0.0000526600000000, -0.0181131000000000 ] - [ 0.0001054200000000, 0.0000043000000000, -0.0180932900000000 ] - [ 0.0068415700000000, 0.0023618700000000, -0.0103056100000000 ] - [ 0.0000965800000000, -0.0000325500000000, -0.0181312900000000 ] - [ -0.0000688000000000, 0.0000423900000000, -0.0180981900000000 ] - [ 0.0000952600000000, 0.0000148500000000, -0.0181078100000000 ] - [ -0.0001600600000000, 0.0000275800000000, -0.0184243400000000 ] - [ 0.0000619400000000, -0.0000350500000000, -0.0180661400000000 ] - [ -0.0000484500000000, 0.0000479400000000, -0.0180957600000000 ] - [ 0.0000852700000000, -0.0000139700000000, -0.0180809800000000 ] - [ 0.0001069100000000, 0.0001678600000000, -0.0183495100000000 ] - [ 0.0001075900000000, -0.0001143900000000, -0.0180222500000000 ] - [ 0.0000157700000000, -0.0000754000000000, -0.0178586500000000 ] - [ 0.0001069700000000, 0.0000957100000000, -0.0180582300000000 ] - [ 0.0000185000000000, 0.0000293700000000, -0.0182680600000000 ] - [ 0.0000484000000000, -0.0000957000000000, -0.0179753900000000 ] - [ 0.0000193200000000, -0.0001110400000000, -0.0181279700000000 ] - [ 0.0000714900000000, 0.0000425100000000, -0.0180083800000000 ] - [ -0.0000915800000000, -0.0002191200000000, -0.0176906800000000 ] - [ -0.0000244300000000, -0.0001242400000000, -0.0182591700000000 ] - [ 0.0000381100000000, -0.0001279200000000, -0.0179294000000000 ] - [ 0.0000882400000000, 0.0000190700000000, -0.0182049700000000 ] - [ -0.1322162800000000, -0.0307518100000000, 0.0199579800000000 ] - [ 0.0019561200000000, 0.0002967600000000, 0.0007579400000000 ] - [ 0.0010323300000000, 0.0001234700000000, 0.0009064400000000 ] - [ 0.0017434600000000, 0.0004014400000000, 0.0008194300000000 ] - [ -0.0002948100000000, -0.0002192500000000, 0.0007060700000000 ] - [ 0.0016512700000000, 0.0002261500000000, 0.0008184800000000 ] - [ 0.0011376700000000, 0.0001550600000000, 0.0008902100000000 ] - [ 0.0016542400000000, 0.0003537700000000, 0.0008452300000000 ] - [ -0.0003095400000000, -0.0002311800000000, 0.0011794200000000 ] - [ 0.0016720900000000, 0.0002321600000000, 0.0008526700000000 ] - [ 0.0011390800000000, 0.0001509300000000, 0.0008826000000000 ] - [ 0.0016597500000000, 0.0003614500000000, 0.0008381800000000 ] - [ 0.0000382600000000, 0.0001383500000000, 0.0007862100000000 ] - [ -0.0001962800000000, 0.0014915300000000, 0.0008620900000000 ] - [ 0.0001038500000000, 0.0023972300000000, 0.0006608800000000 ] - [ 0.0000732700000000, 0.0009752500000000, 0.0009626100000000 ] - [ 0.0001599300000000, -0.0001407500000000, 0.0010296700000000 ] - [ -0.0001451600000000, 0.0017179100000000, 0.0008769100000000 ] - [ -0.0000909600000000, 0.0022561200000000, 0.0007538700000000 ] - [ -0.0000000300000000, 0.0009906900000000, 0.0009294600000000 ] - [ -0.0002576500000000, 0.0014750100000000, 0.0009192000000000 ] - [ -0.0002165300000000, 0.0013606300000000, 0.0008306300000000 ] - [ -0.0002925200000000, 0.0014394800000000, 0.0009527200000000 ] - [ -0.0001431200000000, 0.0012268800000000, 0.0008301500000000 ] - [ 0.0006245800000000, -0.0022636800000000, 0.0006797100000000 ] - [ 0.0004984400000000, 0.0001546100000000, 0.0010757900000000 ] - [ 0.0003091400000000, -0.0009772900000000, 0.0009070100000000 ] - [ 0.0002330600000000, -0.0017459800000000, 0.0007476700000000 ] - [ 0.0007198500000000, -0.0024251000000000, 0.0009280300000000 ] - [ 0.0003569200000000, -0.0001330700000000, 0.0009032500000000 ] - [ 0.0003024300000000, -0.0009689700000000, 0.0009075000000000 ] - [ 0.0001994700000000, -0.0015264900000000, 0.0008088600000000 ] - [ 0.0002270000000000, -0.0014689000000000, 0.0008113300000000 ] - [ 0.0002537200000000, -0.0014642200000000, 0.0009609000000000 ] - [ 0.0002280100000000, -0.0011858800000000, 0.0008430000000000 ] - [ 0.0001905000000000, -0.0013788700000000, 0.0009203400000000 ] - [ 0.0095761700000000, 0.0020910100000000, 0.0048561200000000 ] - [ -0.0008226000000000, -0.0000017700000000, 0.0009717300000000 ] - [ -0.0016928100000000, -0.0001851000000000, 0.0008344300000000 ] - [ -0.0007086900000000, -0.0000229500000000, 0.0008999500000000 ] - [ -0.0015642300000000, -0.0002826700000000, 0.0007065500000000 ] - [ -0.0010916300000000, -0.0001616700000000, 0.0009122300000000 ] - [ -0.0016127100000000, -0.0002031500000000, 0.0008411500000000 ] - [ -0.0009838900000000, -0.0001381400000000, 0.0008857900000000 ] - [ -0.0015499200000000, -0.0002744100000000, -0.0001815900000000 ] - [ -0.0011149600000000, -0.0001638600000000, 0.0008819200000000 ] - [ -0.0016172900000000, -0.0001981800000000, 0.0008447100000000 ] - [ -0.0009977300000000, -0.0001468700000000, 0.0009171800000000 ] - [ 0.0020219100000000, 0.0003664900000000, 0.0008398700000000 ] - [ 0.0014631200000000, 0.0002351800000000, 0.0008740600000000 ] - [ 0.0014733100000000, 0.0001743900000000, 0.0009231600000000 ] - [ 0.0020445300000000, 0.0010580200000000, 0.0006599100000000 ] - [ 0.0020790200000000, 0.0004132700000000, 0.0008210700000000 ] - [ 0.0014753500000000, 0.0002135500000000, 0.0008684300000000 ] - [ 0.0014505500000000, 0.0001643900000000, 0.0008111700000000 ] - [ 0.0020370800000000, 0.0007832000000000, 0.0007471100000000 ] - [ 0.0014311100000000, 0.0001999900000000, 0.0008241000000000 ] - [ 0.0013358300000000, 0.0002760900000000, 0.0008836500000000 ] - [ 0.0013588800000000, 0.0002028200000000, 0.0008295000000000 ] - [ 0.0014397900000000, 0.0002460300000000, 0.0009699100000000 ] - [ 0.0165233000000000, -0.0101009700000000, 0.0021940100000000 ] - [ -0.0000099700000000, 0.0010528300000000, 0.0008862000000000 ] - [ -0.0004457600000000, 0.0015932700000000, 0.0008290500000000 ] - [ -0.0000773200000000, 0.0014471000000000, 0.0008626100000000 ] - [ -0.0003416800000000, 0.0013249800000000, 0.0007817400000000 ] - [ -0.0001703900000000, 0.0011498600000000, 0.0009169400000000 ] - [ -0.0003576100000000, 0.0014914500000000, 0.0008418900000000 ] - [ -0.0001244500000000, 0.0014270400000000, 0.0008640200000000 ] - [ -0.0003830500000000, 0.0012754400000000, 0.0007422300000000 ] - [ -0.0001896400000000, 0.0011735100000000, 0.0008548600000000 ] - [ -0.0003627700000000, 0.0014904900000000, 0.0008474100000000 ] - [ -0.0001261000000000, 0.0014421000000000, 0.0008638100000000 ] - [ 0.0027548800000000, 0.0100201900000000, 0.0018801000000000 ] - [ 0.0005179400000000, -0.0015757900000000, 0.0008226400000000 ] - [ 0.0001337000000000, -0.0010732600000000, 0.0008816600000000 ] - [ 0.0003412800000000, -0.0014452100000000, 0.0008574700000000 ] - [ -0.0000254600000000, -0.0012838100000000, 0.0008150800000000 ] - [ 0.0003438500000000, -0.0014802000000000, 0.0008460500000000 ] - [ 0.0001643100000000, -0.0011704900000000, 0.0009045000000000 ] - [ 0.0002987000000000, -0.0014300600000000, 0.0008783700000000 ] - [ -0.0000958800000000, -0.0013034400000000, 0.0007080400000000 ] - [ 0.0003674000000000, -0.0015018600000000, 0.0008597800000000 ] - [ 0.0001708500000000, -0.0011643200000000, 0.0008718400000000 ] - [ 0.0002859400000000, -0.0014354700000000, 0.0008572800000000 ] - [ -0.0001881100000000, 0.0000983100000000, 0.0008795200000000 ] - [ -0.0008196500000000, -0.0003381600000000, 0.0009532900000000 ] - [ -0.0017894200000000, -0.0005403500000000, 0.0008598900000000 ] - [ -0.0009587000000000, 0.0000537300000000, 0.0009391400000000 ] - [ -0.0002201700000000, -0.0000413200000000, 0.0010502000000000 ] - [ -0.0008204300000000, -0.0003308200000000, 0.0009090200000000 ] - [ -0.0017792700000000, -0.0005341600000000, 0.0007854400000000 ] - [ -0.0009718700000000, 0.0000577700000000, 0.0009215900000000 ] - [ -0.0015624300000000, -0.0003166700000000, 0.0009660900000000 ] - [ -0.0012258600000000, -0.0002230000000000, 0.0008402100000000 ] - [ -0.0014706100000000, -0.0002708000000000, 0.0008758400000000 ] - [ -0.0011524500000000, -0.0000974600000000, 0.0008540300000000 ]- atom: 49 displacement: [ -0.0100000000000000, -0.0000000000119235, 0.0000000000000000 ] forces: - [ 0.0017172800000000, 0.0026948100000000, 0.0141566800000000 ] - [ 0.0012416100000000, -0.0017230300000000, 0.0147394800000000 ] - [ -0.0000718100000000, -0.0014683500000000, 0.0149104400000000 ] - [ 0.0011459100000000, 0.0012626700000000, 0.0146836900000000 ] - [ -0.0001620000000000, -0.0000417300000000, 0.0152171000000000 ] - [ 0.0002768200000000, -0.0003296900000000, 0.0143679900000000 ] - [ -0.0002025200000000, 0.0000375100000000, 0.0147713700000000 ] - [ 0.0003299000000000, 0.0003351600000000, 0.0144631300000000 ] - [ 0.0018829700000000, 0.0034350400000000, 0.0145425000000000 ] - [ 0.0012340400000000, -0.0016717700000000, 0.0146479200000000 ] - [ -0.0001164600000000, -0.0014785600000000, 0.0143287500000000 ] - [ 0.0012131900000000, 0.0010001300000000, 0.0146171600000000 ] - [ -0.0833496200000000, -0.0224923600000000, 0.0374705300000000 ] - [ 0.0019745100000000, -0.0002963000000000, 0.0145488100000000 ] - [ -0.0010293200000000, 0.0005441100000000, 0.0145956200000000 ] - [ 0.0013690600000000, 0.0003164600000000, 0.0145565700000000 ] - [ -0.0017629300000000, -0.0002104000000000, 0.0153703600000000 ] - [ 0.0008826500000000, -0.0002777700000000, 0.0145783000000000 ] - [ -0.0007396800000000, 0.0003471000000000, 0.0146192000000000 ] - [ 0.0008823000000000, 0.0001877800000000, 0.0145977900000000 ] - [ -0.0032179200000000, -0.0007522200000000, 0.0106177000000000 ] - [ 0.0008824900000000, -0.0002785500000000, 0.0146588200000000 ] - [ -0.0007490500000000, 0.0003612300000000, 0.0145610300000000 ] - [ 0.0009042100000000, 0.0001949300000000, 0.0146292700000000 ] - [ -0.0063561800000000, -0.0026945600000000, -0.0071915000000000 ] - [ -0.0001023200000000, 0.0000477200000000, -0.0180911800000000 ] - [ 0.0000628900000000, -0.0000523400000000, -0.0180046700000000 ] - [ -0.0001048800000000, -0.0000033700000000, -0.0180710400000000 ] - [ -0.0067561500000000, -0.0023226300000000, -0.0257985300000000 ] - [ -0.0000986000000000, 0.0000324700000000, -0.0179781900000000 ] - [ 0.0000680200000000, -0.0000424700000000, -0.0180590600000000 ] - [ -0.0000965300000000, -0.0000147500000000, -0.0179750000000000 ] - [ 0.0001574100000000, -0.0000293400000000, -0.0177309600000000 ] - [ -0.0000633800000000, 0.0000338900000000, -0.0180390100000000 ] - [ 0.0000488900000000, -0.0000456800000000, -0.0180368700000000 ] - [ -0.0000847100000000, 0.0000161000000000, -0.0180711400000000 ] - [ -0.0001089100000000, -0.0001596400000000, -0.0177075200000000 ] - [ -0.0001087300000000, 0.0001196200000000, -0.0180809200000000 ] - [ -0.0000146100000000, 0.0000686900000000, -0.0182691300000000 ] - [ -0.0001068900000000, -0.0000987200000000, -0.0180454400000000 ] - [ -0.0000164300000000, -0.0000246500000000, -0.0178817600000000 ] - [ -0.0000481300000000, 0.0001009900000000, -0.0180897100000000 ] - [ -0.0000177800000000, 0.0001078900000000, -0.0179722000000000 ] - [ -0.0000708000000000, -0.0000466900000000, -0.0181194300000000 ] - [ 0.0001000800000000, 0.0002270900000000, -0.0184194700000000 ] - [ 0.0000243700000000, 0.0001276100000000, -0.0178862200000000 ] - [ -0.0000341800000000, 0.0001256600000000, -0.0181607300000000 ] - [ -0.0000879800000000, -0.0000226800000000, -0.0178867000000000 ] - [ 0.1296146800000000, 0.0295102700000000, -0.0172754100000000 ] - [ 0.0007858600000000, 0.0001208000000000, 0.0009585500000000 ] - [ 0.0017820300000000, 0.0003135400000000, 0.0008224100000000 ] - [ 0.0010443600000000, 0.0000653300000000, 0.0009103900000000 ] - [ 0.0030888900000000, 0.0006981200000000, 0.0010230900000000 ] - [ 0.0010979500000000, 0.0001900700000000, 0.0008985200000000 ] - [ 0.0016423200000000, 0.0002700800000000, 0.0008366200000000 ] - [ 0.0011994700000000, 0.0001371400000000, 0.0008846900000000 ] - [ 0.0030574200000000, 0.0007023200000000, 0.0005486100000000 ] - [ 0.0011108200000000, 0.0002020100000000, 0.0008740600000000 ] - [ 0.0016460200000000, 0.0002759500000000, 0.0008425000000000 ] - [ 0.0011789900000000, 0.0001222400000000, 0.0009009800000000 ] - [ -0.0004653300000000, 0.0026796600000000, 0.0009494200000000 ] - [ -0.0003046900000000, 0.0012745100000000, 0.0008670000000000 ] - [ -0.0006140500000000, 0.0003831800000000, 0.0010601000000000 ] - [ -0.0004607800000000, 0.0018181400000000, 0.0007738900000000 ] - [ -0.0005692700000000, 0.0029232000000000, 0.0006862800000000 ] - [ -0.0003545700000000, 0.0010776700000000, 0.0008464100000000 ] - [ -0.0004240700000000, 0.0005829800000000, 0.0009643100000000 ] - [ -0.0004041200000000, 0.0018058700000000, 0.0007929300000000 ] - [ -0.0001524700000000, 0.0013245700000000, 0.0008016500000000 ] - [ -0.0002937200000000, 0.0014193000000000, 0.0008907400000000 ] - [ -0.0002064300000000, 0.0013549800000000, 0.0007561700000000 ] - [ -0.0002663400000000, 0.0016137600000000, 0.0008995700000000 ] - [ -0.0002067800000000, -0.0005354700000000, 0.0010496700000000 ] - [ 0.0000073100000000, -0.0029521100000000, 0.0006389200000000 ] - [ 0.0001980100000000, -0.0018226300000000, 0.0008198400000000 ] - [ 0.0001703500000000, -0.0010926500000000, 0.0009704000000000 ] - [ -0.0003079400000000, -0.0003732700000000, 0.0007894300000000 ] - [ 0.0001466500000000, -0.0027026100000000, 0.0008256300000000 ] - [ 0.0002030500000000, -0.0018490700000000, 0.0008191100000000 ] - [ 0.0001982900000000, -0.0012848500000000, 0.0009098300000000 ] - [ 0.0001937700000000, -0.0013579000000000, 0.0009164100000000 ] - [ 0.0002550500000000, -0.0013192800000000, 0.0007728800000000 ] - [ 0.0002796000000000, -0.0016013600000000, 0.0008736300000000 ] - [ 0.0002057100000000, -0.0014212400000000, 0.0007988900000000 ] - [ -0.0122631500000000, -0.0026010100000000, -0.0030787900000000 ] - [ -0.0019232100000000, -0.0004173200000000, 0.0007567800000000 ] - [ -0.0011205400000000, -0.0002442700000000, 0.0008779000000000 ] - [ -0.0021084300000000, -0.0004558900000000, 0.0008253700000000 ] - [ -0.0012559000000000, -0.0002073600000000, 0.0010156900000000 ] - [ -0.0016642800000000, -0.0002600200000000, 0.0008020000000000 ] - [ -0.0011612800000000, -0.0002183400000000, 0.0008867400000000 ] - [ -0.0018681200000000, -0.0003444600000000, 0.0008384500000000 ] - [ -0.0012105400000000, -0.0002053400000000, 0.0018893900000000 ] - [ -0.0016811900000000, -0.0002712700000000, 0.0008487400000000 ] - [ -0.0011633300000000, -0.0002194200000000, 0.0008853000000000 ] - [ -0.0018670300000000, -0.0003488300000000, 0.0008093600000000 ] - [ 0.0007613800000000, 0.0000341200000000, 0.0008743500000000 ] - [ 0.0013735500000000, 0.0002751300000000, 0.0008662500000000 ] - [ 0.0013267600000000, 0.0003342100000000, 0.0008153800000000 ] - [ 0.0006934900000000, -0.0006853100000000, 0.0010637700000000 ] - [ 0.0007398600000000, -0.0000040800000000, 0.0008997800000000 ] - [ 0.0013407500000000, 0.0002974900000000, 0.0008425400000000 ] - [ 0.0013488100000000, 0.0003385600000000, 0.0009048300000000 ] - [ 0.0007764300000000, -0.0003843000000000, 0.0009833600000000 ] - [ 0.0013546900000000, 0.0002069100000000, 0.0008913200000000 ] - [ 0.0014817100000000, 0.0002467200000000, 0.0008344000000000 ] - [ 0.0014933700000000, 0.0003175000000000, 0.0008824500000000 ] - [ 0.0013496700000000, 0.0001387500000000, 0.0007492900000000 ] - [ -0.0166693500000000, 0.0127259300000000, -0.0004453900000000 ] - [ -0.0004506100000000, 0.0017065500000000, 0.0008491800000000 ] - [ -0.0000375200000000, 0.0012114600000000, 0.0009020800000000 ] - [ -0.0003528800000000, 0.0013537500000000, 0.0008586000000000 ] - [ -0.0000941400000000, 0.0014890100000000, 0.0009418200000000 ] - [ -0.0002947300000000, 0.0016091800000000, 0.0008040400000000 ] - [ -0.0001227600000000, 0.0012689900000000, 0.0008842300000000 ] - [ -0.0003165600000000, 0.0014326800000000, 0.0008575900000000 ] - [ -0.0000216800000000, 0.0014813700000000, 0.0009898900000000 ] - [ -0.0002841500000000, 0.0016144800000000, 0.0008705100000000 ] - [ -0.0001047900000000, 0.0012755800000000, 0.0008789200000000 ] - [ -0.0003312100000000, 0.0014178100000000, 0.0008694800000000 ] - [ -0.0023471000000000, -0.0128080600000000, -0.0001390600000000 ] - [ -0.0000529100000000, -0.0011894000000000, 0.0008899900000000 ] - [ 0.0003547500000000, -0.0017294700000000, 0.0008529400000000 ] - [ 0.0000977900000000, -0.0013472400000000, 0.0008625400000000 ] - [ 0.0004621400000000, -0.0015303300000000, 0.0009102300000000 ] - [ 0.0001113800000000, -0.0012755500000000, 0.0008774900000000 ] - [ 0.0003067100000000, -0.0015986500000000, 0.0008271100000000 ] - [ 0.0001651200000000, -0.0014244000000000, 0.0008523600000000 ] - [ 0.0005081700000000, -0.0014508900000000, 0.0010206100000000 ] - [ 0.0001119800000000, -0.0012997500000000, 0.0008690100000000 ] - [ 0.0003030700000000, -0.0016105100000000, 0.0008546700000000 ] - [ 0.0001580200000000, -0.0014235000000000, 0.0008726000000000 ] - [ -0.0025480100000000, -0.0004657200000000, 0.0008637800000000 ] - [ -0.0019739600000000, -0.0001677500000000, 0.0007759800000000 ] - [ -0.0010575400000000, 0.0000216600000000, 0.0008514500000000 ] - [ -0.0018187900000000, -0.0004365600000000, 0.0007722400000000 ] - [ -0.0025850600000000, -0.0003498800000000, 0.0006682500000000 ] - [ -0.0019888900000000, -0.0001758600000000, 0.0008121600000000 ] - [ -0.0010347000000000, 0.0000299600000000, 0.0009367400000000 ] - [ -0.0018322200000000, -0.0004535000000000, 0.0007951500000000 ] - [ -0.0012180600000000, -0.0000962000000000, 0.0007516600000000 ] - [ -0.0016476800000000, -0.0003090700000000, 0.0008767400000000 ] - [ -0.0013441000000000, -0.0002301400000000, 0.0008552400000000 ] - [ -0.0015993600000000, -0.0002877900000000, 0.0008825900000000 ]- atom: 49 displacement: [ -0.0000000000119235, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0004388900000000, -0.0007186500000000, 0.0141652500000000 ] - [ 0.0002268500000000, -0.0003876700000000, 0.0146218100000000 ] - [ 0.0005066000000000, 0.0006515600000000, 0.0146101500000000 ] - [ -0.0012796300000000, -0.0007476700000000, 0.0145779200000000 ] - [ 0.0001431900000000, 0.0000740400000000, 0.0143260000000000 ] - [ -0.0000915800000000, 0.0000648000000000, 0.0144757900000000 ] - [ 0.0001140200000000, -0.0000159500000000, 0.0145958600000000 ] - [ -0.0002162300000000, -0.0001336300000000, 0.0146634700000000 ] - [ -0.0006235400000000, -0.0011940500000000, 0.0147257500000000 ] - [ 0.0002158900000000, -0.0002745900000000, 0.0145784300000000 ] - [ 0.0005162100000000, 0.0006354300000000, 0.0145767700000000 ] - [ -0.0009925800000000, -0.0005300100000000, 0.0145182200000000 ] - [ 0.0228052900000000, 0.0123831800000000, 0.0075750500000000 ] - [ -0.0005732900000000, 0.0002884900000000, 0.0145995800000000 ] - [ 0.0002594800000000, -0.0007601100000000, 0.0145740100000000 ] - [ -0.0003902500000000, -0.0004445500000000, 0.0145788100000000 ] - [ 0.0001996300000000, 0.0010329500000000, 0.0143056100000000 ] - [ -0.0001477900000000, 0.0002399100000000, 0.0145659200000000 ] - [ 0.0001345700000000, -0.0002716400000000, 0.0145919600000000 ] - [ -0.0002340300000000, -0.0002745200000000, 0.0145533500000000 ] - [ 0.0007108400000000, 0.0007885800000000, 0.0158230000000000 ] - [ -0.0001454600000000, 0.0002525500000000, 0.0145050600000000 ] - [ 0.0001271400000000, -0.0002636900000000, 0.0145749000000000 ] - [ -0.0002271900000000, -0.0002866400000000, 0.0145746000000000 ] - [ 0.0028444500000000, -0.0021223700000000, -0.0210249900000000 ] - [ 0.0000199300000000, -0.0000291600000000, -0.0179826400000000 ] - [ -0.0000071900000000, 0.0000458300000000, -0.0180067700000000 ] - [ 0.0000388900000000, 0.0000270200000000, -0.0180285900000000 ] - [ 0.0023967100000000, -0.0005212500000000, -0.0156591900000000 ] - [ 0.0000188500000000, -0.0000276300000000, -0.0180414400000000 ] - [ -0.0000144700000000, 0.0000386300000000, -0.0180302600000000 ] - [ 0.0000314500000000, 0.0000302300000000, -0.0179985300000000 ] - [ 0.0000098200000000, -0.0001822800000000, -0.0181524400000000 ] - [ 0.0000091500000000, -0.0000233800000000, -0.0179815600000000 ] - [ -0.0000003400000000, 0.0000217100000000, -0.0180321900000000 ] - [ 0.0000323200000000, 0.0000193300000000, -0.0180129300000000 ] - [ -0.0001572500000000, 0.0000045600000000, -0.0178485200000000 ] - [ -0.0000329200000000, 0.0000074900000000, -0.0180457400000000 ] - [ -0.0000352600000000, -0.0001191600000000, -0.0180358900000000 ] - [ 0.0000940600000000, 0.0000652600000000, -0.0180367600000000 ] - [ -0.0000290100000000, 0.0000201400000000, -0.0179908900000000 ] - [ -0.0000007200000000, 0.0000185400000000, -0.0180095000000000 ] - [ -0.0000059000000000, -0.0000538000000000, -0.0180549000000000 ] - [ 0.0000916300000000, 0.0000333900000000, -0.0179363900000000 ] - [ -0.0001303000000000, -0.0002818000000000, -0.0178800700000000 ] - [ 0.0000467500000000, 0.0000156800000000, -0.0179639400000000 ] - [ 0.0000335700000000, -0.0001195900000000, -0.0180069900000000 ] - [ 0.0000915900000000, 0.0000101400000000, -0.0180887900000000 ] - [ -0.0288002400000000, -0.0360835500000000, 0.0065126500000000 ] - [ 0.0015073700000000, 0.0002368100000000, 0.0008260200000000 ] - [ 0.0013599400000000, 0.0003051300000000, 0.0008671300000000 ] - [ 0.0015734100000000, 0.0002868200000000, 0.0008478000000000 ] - [ 0.0009608500000000, 0.0000522300000000, 0.0007770500000000 ] - [ 0.0014418100000000, 0.0002326400000000, 0.0008621700000000 ] - [ 0.0013732700000000, 0.0002547200000000, 0.0008626500000000 ] - [ 0.0015693600000000, 0.0002779800000000, 0.0008570000000000 ] - [ 0.0009495300000000, 0.0000519100000000, 0.0009860900000000 ] - [ 0.0014549000000000, 0.0002379600000000, 0.0008640000000000 ] - [ 0.0013735600000000, 0.0002502300000000, 0.0008662800000000 ] - [ 0.0015481000000000, 0.0002708100000000, 0.0008611500000000 ] - [ -0.0002022800000000, 0.0015694800000000, 0.0006741400000000 ] - [ -0.0001596900000000, 0.0014148100000000, 0.0008369600000000 ] - [ -0.0001090800000000, 0.0019410400000000, 0.0007281800000000 ] - [ -0.0002641500000000, 0.0014825100000000, 0.0008491900000000 ] - [ -0.0002684100000000, 0.0016971500000000, 0.0010688000000000 ] - [ -0.0001202400000000, 0.0014575600000000, 0.0008846100000000 ] - [ -0.0001934900000000, 0.0018721300000000, 0.0007987700000000 ] - [ -0.0002419700000000, 0.0014953200000000, 0.0008508400000000 ] - [ -0.0002118600000000, 0.0014427400000000, 0.0008643800000000 ] - [ -0.0002531900000000, 0.0014165900000000, 0.0008423300000000 ] - [ -0.0002864500000000, 0.0014517400000000, 0.0008795400000000 ] - [ -0.0001929200000000, 0.0014410400000000, 0.0008768000000000 ] - [ 0.0001139400000000, -0.0012685400000000, 0.0008951800000000 ] - [ 0.0003294500000000, -0.0010706300000000, 0.0008541100000000 ] - [ 0.0003125700000000, -0.0012365000000000, 0.0008882900000000 ] - [ 0.0000526000000000, -0.0013514600000000, 0.0008717400000000 ] - [ 0.0000247800000000, -0.0010807500000000, 0.0007907200000000 ] - [ 0.0002574900000000, -0.0011934700000000, 0.0008833200000000 ] - [ 0.0003428000000000, -0.0011738300000000, 0.0008753400000000 ] - [ 0.0000880200000000, -0.0013914800000000, 0.0008570700000000 ] - [ 0.0002332900000000, -0.0014936100000000, 0.0008714700000000 ] - [ 0.0002784800000000, -0.0014775100000000, 0.0008900000000000 ] - [ 0.0002663100000000, -0.0013667400000000, 0.0008462200000000 ] - [ 0.0001760000000000, -0.0014059100000000, 0.0008667700000000 ] - [ 0.0008386500000000, 0.0035464800000000, 0.0020123700000000 ] - [ -0.0012074500000000, -0.0001727600000000, 0.0009058700000000 ] - [ -0.0014260200000000, -0.0001606600000000, 0.0008566700000000 ] - [ -0.0012244800000000, -0.0000833200000000, 0.0008624100000000 ] - [ -0.0014672800000000, -0.0002346600000000, 0.0007952400000000 ] - [ -0.0013758700000000, -0.0002742500000000, 0.0008724200000000 ] - [ -0.0014186300000000, -0.0002187400000000, 0.0008621500000000 ] - [ -0.0013543900000000, -0.0001566900000000, 0.0008605900000000 ] - [ -0.0014393900000000, -0.0002280000000000, 0.0005384400000000 ] - [ -0.0013963700000000, -0.0002741600000000, 0.0008709100000000 ] - [ -0.0014228800000000, -0.0002129900000000, 0.0008653300000000 ] - [ -0.0013620200000000, -0.0001700200000000, 0.0008762200000000 ] - [ 0.0020148200000000, 0.0004120200000000, 0.0008432800000000 ] - [ 0.0013757400000000, 0.0002378000000000, 0.0008849300000000 ] - [ 0.0013964700000000, 0.0002221200000000, 0.0008079900000000 ] - [ 0.0016141700000000, 0.0006237600000000, 0.0007675800000000 ] - [ 0.0023239800000000, 0.0006448800000000, 0.0009236900000000 ] - [ 0.0013653100000000, 0.0002173000000000, 0.0008733600000000 ] - [ 0.0014223500000000, 0.0002384000000000, 0.0008991400000000 ] - [ 0.0016206000000000, 0.0004168700000000, 0.0008289500000000 ] - [ 0.0014853800000000, 0.0002042100000000, 0.0008147600000000 ] - [ 0.0014017500000000, 0.0002813900000000, 0.0008448300000000 ] - [ 0.0014854100000000, 0.0002787500000000, 0.0008593200000000 ] - [ 0.0014292300000000, 0.0001887300000000, 0.0008867600000000 ] - [ -0.0111443700000000, 0.0040525700000000, 0.0007726700000000 ] - [ -0.0000984300000000, 0.0012876000000000, 0.0008634700000000 ] - [ -0.0003299200000000, 0.0017009300000000, 0.0008136800000000 ] - [ -0.0002489400000000, 0.0015843400000000, 0.0008496900000000 ] - [ -0.0002449200000000, 0.0011505200000000, 0.0008605000000000 ] - [ -0.0001870700000000, 0.0013295500000000, 0.0008851100000000 ] - [ -0.0002530200000000, 0.0015213100000000, 0.0008372400000000 ] - [ -0.0002515800000000, 0.0015513800000000, 0.0008563000000000 ] - [ -0.0002581300000000, 0.0011775900000000, 0.0008061800000000 ] - [ -0.0001904800000000, 0.0013278500000000, 0.0008595100000000 ] - [ -0.0002381000000000, 0.0015015200000000, 0.0008605300000000 ] - [ -0.0002686900000000, 0.0015627200000000, 0.0008553100000000 ] - [ 0.0113051900000000, 0.0152726300000000, 0.0016072500000000 ] - [ 0.0003194300000000, -0.0016078100000000, 0.0008266900000000 ] - [ 0.0001139300000000, -0.0011866400000000, 0.0009022600000000 ] - [ 0.0002551100000000, -0.0013110900000000, 0.0008712300000000 ] - [ 0.0002857300000000, -0.0016410600000000, 0.0008244200000000 ] - [ 0.0002360200000000, -0.0015225600000000, 0.0008507700000000 ] - [ 0.0001870100000000, -0.0013485000000000, 0.0008777700000000 ] - [ 0.0002738600000000, -0.0013839400000000, 0.0008770300000000 ] - [ 0.0002346800000000, -0.0015481300000000, 0.0008384100000000 ] - [ 0.0002507400000000, -0.0015353200000000, 0.0008561600000000 ] - [ 0.0001878700000000, -0.0013334400000000, 0.0008728000000000 ] - [ 0.0002559300000000, -0.0013868700000000, 0.0008734800000000 ] - [ -0.0012670100000000, 0.0007449300000000, 0.0011352600000000 ] - [ -0.0015086200000000, -0.0002238400000000, 0.0008344100000000 ] - [ -0.0017479900000000, -0.0005132200000000, 0.0008642200000000 ] - [ -0.0011695500000000, -0.0000555300000000, 0.0009058200000000 ] - [ -0.0011772400000000, 0.0007326100000000, 0.0007362700000000 ] - [ -0.0015369200000000, -0.0002260400000000, 0.0008592400000000 ] - [ -0.0017291900000000, -0.0004968400000000, 0.0007676700000000 ] - [ -0.0011976500000000, -0.0000626700000000, 0.0009013700000000 ] - [ -0.0015380600000000, -0.0002603300000000, 0.0008744300000000 ] - [ -0.0014425000000000, -0.0002889600000000, 0.0008684800000000 ] - [ -0.0014755600000000, -0.0002744700000000, 0.0008536000000000 ] - [ -0.0013095300000000, -0.0001482700000000, 0.0008453900000000 ]- atom: 49 displacement: [ 0.0000000000119235, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0004586200000000, 0.0007177200000000, 0.0149962400000000 ] - [ -0.0002197400000000, 0.0003841600000000, 0.0144982900000000 ] - [ -0.0005012300000000, -0.0006512900000000, 0.0145436300000000 ] - [ 0.0012686800000000, 0.0007561800000000, 0.0145920000000000 ] - [ -0.0001452800000000, -0.0000794900000000, 0.0148710000000000 ] - [ 0.0001000500000000, -0.0000615600000000, 0.0146745700000000 ] - [ -0.0001150400000000, 0.0000167600000000, 0.0145362100000000 ] - [ 0.0002065300000000, 0.0001275100000000, 0.0145061800000000 ] - [ 0.0006420200000000, 0.0012153800000000, 0.0144060200000000 ] - [ -0.0002128100000000, 0.0002733400000000, 0.0146009000000000 ] - [ -0.0005043300000000, -0.0006245200000000, 0.0145794300000000 ] - [ 0.0009915400000000, 0.0005361800000000, 0.0146131400000000 ] - [ -0.0226569700000000, -0.0127098600000000, 0.0216008900000000 ] - [ 0.0005788700000000, -0.0002874700000000, 0.0145682100000000 ] - [ -0.0002634700000000, 0.0007638000000000, 0.0145994500000000 ] - [ 0.0004090300000000, 0.0004493700000000, 0.0146005200000000 ] - [ -0.0001870000000000, -0.0010254800000000, 0.0149406400000000 ] - [ 0.0001518000000000, -0.0002451300000000, 0.0145574400000000 ] - [ -0.0001392400000000, 0.0002807100000000, 0.0146085800000000 ] - [ 0.0002378000000000, 0.0002789700000000, 0.0146017000000000 ] - [ -0.0007197400000000, -0.0007901300000000, 0.0132943200000000 ] - [ 0.0001487900000000, -0.0002462600000000, 0.0146543200000000 ] - [ -0.0001281300000000, 0.0002784900000000, 0.0145842600000000 ] - [ 0.0002390300000000, 0.0002914700000000, 0.0146395000000000 ] - [ -0.0028666900000000, 0.0020855500000000, -0.0149316100000000 ] - [ -0.0000232000000000, 0.0000307800000000, -0.0180912900000000 ] - [ 0.0000068700000000, -0.0000436200000000, -0.0180244200000000 ] - [ -0.0000374600000000, -0.0000244000000000, -0.0180815000000000 ] - [ -0.0024274900000000, 0.0004978900000000, -0.0205030200000000 ] - [ -0.0000207200000000, 0.0000266300000000, -0.0180083300000000 ] - [ 0.0000133000000000, -0.0000362200000000, -0.0180572600000000 ] - [ -0.0000326800000000, -0.0000293200000000, -0.0180131700000000 ] - [ -0.0000090500000000, 0.0001763300000000, -0.0179501200000000 ] - [ -0.0000108700000000, 0.0000220600000000, -0.0180444200000000 ] - [ 0.0000015600000000, -0.0000164700000000, -0.0180582000000000 ] - [ -0.0000317700000000, -0.0000143100000000, -0.0180774300000000 ] - [ 0.0001608500000000, 0.0000029500000000, -0.0181470900000000 ] - [ 0.0000299800000000, 0.0000003300000000, -0.0179941800000000 ] - [ 0.0000356700000000, 0.0001105300000000, -0.0180185200000000 ] - [ -0.0000944800000000, -0.0000684600000000, -0.0179924700000000 ] - [ 0.0000312600000000, -0.0000146500000000, -0.0180996600000000 ] - [ 0.0000020600000000, -0.0000099000000000, -0.0179835300000000 ] - [ 0.0000075500000000, 0.0000509400000000, -0.0179689600000000 ] - [ -0.0000907200000000, -0.0000396700000000, -0.0181360200000000 ] - [ 0.0001310600000000, 0.0002948300000000, -0.0181791600000000 ] - [ -0.0000453300000000, -0.0000102400000000, -0.0181142800000000 ] - [ -0.0000259200000000, 0.0001165600000000, -0.0180136100000000 ] - [ -0.0000917100000000, -0.0000155500000000, -0.0179556200000000 ] - [ 0.0314108000000000, 0.0365698700000000, -0.0048111400000000 ] - [ 0.0012712700000000, 0.0002355500000000, 0.0008875400000000 ] - [ 0.0015032100000000, 0.0001920900000000, 0.0008610400000000 ] - [ 0.0012451600000000, 0.0001356400000000, 0.0008837900000000 ] - [ 0.0018892200000000, 0.0003913400000000, 0.0009478300000000 ] - [ 0.0013411400000000, 0.0002403100000000, 0.0008563500000000 ] - [ 0.0014597500000000, 0.0002302600000000, 0.0008595000000000 ] - [ 0.0013268500000000, 0.0001717700000000, 0.0008680300000000 ] - [ 0.0018524000000000, 0.0003844900000000, 0.0007382200000000 ] - [ 0.0013528300000000, 0.0002490700000000, 0.0008592800000000 ] - [ 0.0014491300000000, 0.0002350600000000, 0.0008606600000000 ] - [ 0.0013293500000000, 0.0001672600000000, 0.0008805700000000 ] - [ -0.0002299600000000, 0.0012875000000000, 0.0010437800000000 ] - [ -0.0003611100000000, 0.0013995500000000, 0.0008870200000000 ] - [ -0.0004326300000000, 0.0009042700000000, 0.0009977400000000 ] - [ -0.0001136300000000, 0.0013189200000000, 0.0008883200000000 ] - [ -0.0001548300000000, 0.0011316400000000, 0.0006493500000000 ] - [ -0.0003992400000000, 0.0013892100000000, 0.0008321100000000 ] - [ -0.0003551400000000, 0.0010280400000000, 0.0009177800000000 ] - [ -0.0001575700000000, 0.0013163500000000, 0.0008752600000000 ] - [ -0.0001966100000000, 0.0013809200000000, 0.0008526900000000 ] - [ -0.0002847400000000, 0.0014177200000000, 0.0008808100000000 ] - [ -0.0002196500000000, 0.0014235200000000, 0.0008207300000000 ] - [ -0.0002069100000000, 0.0014189400000000, 0.0008430800000000 ] - [ 0.0002854100000000, -0.0015230500000000, 0.0008344400000000 ] - [ 0.0002063400000000, -0.0017787900000000, 0.0008692200000000 ] - [ 0.0002165700000000, -0.0016235200000000, 0.0008450500000000 ] - [ 0.0003384200000000, -0.0015044300000000, 0.0008340800000000 ] - [ 0.0003645800000000, -0.0017166600000000, 0.0009189000000000 ] - [ 0.0002707100000000, -0.0016745000000000, 0.0008340900000000 ] - [ 0.0001837100000000, -0.0017147200000000, 0.0008479200000000 ] - [ 0.0002985200000000, -0.0014367200000000, 0.0008567700000000 ] - [ 0.0001839900000000, -0.0013404800000000, 0.0008514300000000 ] - [ 0.0002539800000000, -0.0013575100000000, 0.0008390500000000 ] - [ 0.0002681900000000, -0.0014866900000000, 0.0008752200000000 ] - [ 0.0002147200000000, -0.0014191700000000, 0.0008474200000000 ] - [ -0.0038260500000000, -0.0039924300000000, -0.0003261000000000 ] - [ -0.0015663500000000, -0.0002996700000000, 0.0008286600000000 ] - [ -0.0014306700000000, -0.0003275200000000, 0.0008525800000000 ] - [ -0.0016483300000000, -0.0003564400000000, 0.0008617800000000 ] - [ -0.0013998400000000, -0.0002149500000000, 0.0009223500000000 ] - [ -0.0014236500000000, -0.0002086900000000, 0.0008400500000000 ] - [ -0.0013998500000000, -0.0002572400000000, 0.0008649800000000 ] - [ -0.0015485200000000, -0.0002872600000000, 0.0008629700000000 ] - [ -0.0013468300000000, -0.0002054900000000, 0.0011847400000000 ] - [ -0.0014443800000000, -0.0002160900000000, 0.0008618000000000 ] - [ -0.0013896700000000, -0.0002499900000000, 0.0008707200000000 ] - [ -0.0015621600000000, -0.0002922000000000, 0.0008496900000000 ] - [ 0.0008258900000000, -0.0000052900000000, 0.0008610300000000 ] - [ 0.0014776200000000, 0.0002756200000000, 0.0008585600000000 ] - [ 0.0014079400000000, 0.0002942200000000, 0.0009274600000000 ] - [ 0.0011800500000000, -0.0002462700000000, 0.0009565100000000 ] - [ 0.0005845400000000, -0.0002198300000000, 0.0007973000000000 ] - [ 0.0014585100000000, 0.0002981200000000, 0.0008374900000000 ] - [ 0.0013872600000000, 0.0002771300000000, 0.0008152300000000 ] - [ 0.0012738000000000, -0.0000004300000000, 0.0008990400000000 ] - [ 0.0013726100000000, 0.0002106300000000, 0.0008932500000000 ] - [ 0.0014404400000000, 0.0002540900000000, 0.0008612600000000 ] - [ 0.0013782700000000, 0.0002524800000000, 0.0008409000000000 ] - [ 0.0014314400000000, 0.0002004100000000, 0.0008333400000000 ] - [ 0.0107422500000000, -0.0011143300000000, 0.0009416900000000 ] - [ -0.0003095000000000, 0.0015047300000000, 0.0008646600000000 ] - [ -0.0001105000000000, 0.0011447800000000, 0.0009152800000000 ] - [ -0.0002367200000000, 0.0012735700000000, 0.0008757300000000 ] - [ -0.0002481300000000, 0.0017149400000000, 0.0008624900000000 ] - [ -0.0002351000000000, 0.0014611600000000, 0.0008374300000000 ] - [ -0.0001839800000000, 0.0012722100000000, 0.0008927200000000 ] - [ -0.0002417400000000, 0.0013665500000000, 0.0008666400000000 ] - [ -0.0001975300000000, 0.0015941000000000, 0.0009298200000000 ] - [ -0.0002370900000000, 0.0014788500000000, 0.0008553600000000 ] - [ -0.0001747300000000, 0.0012776100000000, 0.0008723000000000 ] - [ -0.0002451800000000, 0.0013539900000000, 0.0008832000000000 ] - [ -0.0105824700000000, -0.0178542400000000, 0.0001420800000000 ] - [ 0.0000970200000000, -0.0011986900000000, 0.0008756900000000 ] - [ 0.0003293600000000, -0.0016406400000000, 0.0008371800000000 ] - [ 0.0002460600000000, -0.0015263500000000, 0.0008554200000000 ] - [ 0.0002187500000000, -0.0012264800000000, 0.0008995600000000 ] - [ 0.0001710600000000, -0.0012656000000000, 0.0008703000000000 ] - [ 0.0002354100000000, -0.0014500100000000, 0.0008608200000000 ] - [ 0.0002530200000000, -0.0015203500000000, 0.0008621200000000 ] - [ 0.0002267200000000, -0.0012375400000000, 0.0008945900000000 ] - [ 0.0001820400000000, -0.0013005100000000, 0.0008607300000000 ] - [ 0.0002375800000000, -0.0014597300000000, 0.0008572600000000 ] - [ 0.0002458500000000, -0.0015217600000000, 0.0008660300000000 ] - [ -0.0015553100000000, -0.0011894700000000, 0.0005688100000000 ] - [ -0.0012797500000000, -0.0002901300000000, 0.0008923600000000 ] - [ -0.0011173500000000, -0.0000279900000000, 0.0008354700000000 ] - [ -0.0016695000000000, -0.0003333900000000, 0.0008002900000000 ] - [ -0.0017372300000000, -0.0012113400000000, 0.0010135900000000 ] - [ -0.0012969700000000, -0.0002828600000000, 0.0008666200000000 ] - [ -0.0010986600000000, -0.0000136700000000, 0.0009523600000000 ] - [ -0.0016859200000000, -0.0003447800000000, 0.0008169600000000 ] - [ -0.0013071000000000, -0.0001684800000000, 0.0008446900000000 ] - [ -0.0014573900000000, -0.0002540200000000, 0.0008389400000000 ] - [ -0.0013718100000000, -0.0002365700000000, 0.0008799000000000 ] - [ -0.0014936100000000, -0.0002409000000000, 0.0008978900000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0001377100000000, -0.0001675700000000, 0.0146342800000000 ] - [ 0.0001802100000000, -0.0003007800000000, 0.0145865900000000 ] - [ -0.0000036500000000, 0.0002872200000000, 0.0147188300000000 ] - [ 0.0002479800000000, 0.0003391800000000, 0.0146493300000000 ] - [ 0.0001314700000000, 0.0001692500000000, 0.0146921300000000 ] - [ -0.0000807800000000, 0.0001381200000000, 0.0145558200000000 ] - [ 0.0000927700000000, -0.0001663500000000, 0.0146410200000000 ] - [ -0.0001288200000000, -0.0001569400000000, 0.0145246700000000 ] - [ 0.0000589400000000, 0.0003648800000000, 0.0145494100000000 ] - [ 0.0000936900000000, -0.0002057000000000, 0.0146035100000000 ] - [ 0.0000082400000000, -0.0005355500000000, 0.0145370500000000 ] - [ 0.0002105900000000, 0.0002124500000000, 0.0145473800000000 ] - [ -0.0072990800000000, -0.0020549300000000, 0.0389655700000000 ] - [ 0.0003487700000000, 0.0000039800000000, 0.0146155700000000 ] - [ -0.0001082500000000, 0.0000677000000000, 0.0146189500000000 ] - [ 0.0001131100000000, 0.0000289300000000, 0.0146313300000000 ] - [ -0.0023876500000000, -0.0006827300000000, 0.0150804800000000 ] - [ 0.0000507900000000, -0.0000224500000000, 0.0145810000000000 ] - [ -0.0000565300000000, 0.0000097400000000, 0.0146106300000000 ] - [ 0.0001028400000000, 0.0000309600000000, 0.0145922400000000 ] - [ -0.0000839500000000, -0.0000568700000000, 0.0134698400000000 ] - [ 0.0001558100000000, -0.0000466100000000, 0.0145819400000000 ] - [ -0.0000888700000000, 0.0000778800000000, 0.0145498200000000 ] - [ 0.0000670400000000, -0.0000040200000000, 0.0146274200000000 ] - [ -0.0122764200000000, -0.0036359400000000, -0.0147729500000000 ] - [ -0.0000187000000000, 0.0000092100000000, -0.0180454100000000 ] - [ 0.0000071200000000, -0.0000033800000000, -0.0180385000000000 ] - [ -0.0000079700000000, -0.0000042300000000, -0.0180744000000000 ] - [ 0.0066995900000000, 0.0019542100000000, -0.0149602100000000 ] - [ -0.0000141300000000, -0.0000002000000000, -0.0180533900000000 ] - [ 0.0000060400000000, -0.0000027500000000, -0.0180732700000000 ] - [ -0.0000066300000000, -0.0000002500000000, -0.0180565000000000 ] - [ 0.0003862900000000, 0.0001033200000000, -0.0174054000000000 ] - [ -0.0000048200000000, 0.0000020200000000, -0.0180527300000000 ] - [ 0.0000067100000000, -0.0000030600000000, -0.0180695800000000 ] - [ -0.0000071700000000, 0.0000013000000000, -0.0180710300000000 ] - [ 0.0000768300000000, -0.0000139600000000, -0.0179229000000000 ] - [ -0.0000279900000000, 0.0000210900000000, -0.0180571200000000 ] - [ -0.0000177300000000, -0.0000237300000000, -0.0181721400000000 ] - [ -0.0000291400000000, -0.0000484700000000, -0.0180674400000000 ] - [ 0.0000281700000000, 0.0000127000000000, -0.0181374500000000 ] - [ -0.0000019200000000, 0.0000148000000000, -0.0180785000000000 ] - [ -0.0000049400000000, -0.0000094700000000, -0.0181431600000000 ] - [ -0.0000099700000000, -0.0000060600000000, -0.0181088600000000 ] - [ -0.0000719500000000, -0.0001527100000000, -0.0181200000000000 ] - [ 0.0000001900000000, 0.0000206600000000, -0.0180247300000000 ] - [ -0.0000236000000000, 0.0000874600000000, -0.0180426000000000 ] - [ -0.0000091000000000, -0.0000007900000000, -0.0179953200000000 ] - [ 0.0200318300000000, 0.0058953400000000, -0.0206595300000000 ] - [ 0.0012395000000000, 0.0001754700000000, 0.0008797500000000 ] - [ 0.0014214900000000, 0.0002203600000000, 0.0008626000000000 ] - [ 0.0013483800000000, 0.0002174600000000, 0.0008694400000000 ] - [ 0.0017124100000000, 0.0003595600000000, 0.0001648000000000 ] - [ 0.0013309200000000, 0.0002147200000000, 0.0008649800000000 ] - [ 0.0013917600000000, 0.0002158100000000, 0.0008599600000000 ] - [ 0.0013887200000000, 0.0002306100000000, 0.0008701900000000 ] - [ 0.0012171800000000, 0.0001523000000000, 0.0001585600000000 ] - [ 0.0013175400000000, 0.0002121800000000, 0.0008733300000000 ] - [ 0.0013966400000000, 0.0002128600000000, 0.0008611800000000 ] - [ 0.0013941700000000, 0.0002351100000000, 0.0008820600000000 ] - [ -0.0002263000000000, 0.0014369000000000, 0.0009847300000000 ] - [ -0.0002673700000000, 0.0013041300000000, 0.0008699000000000 ] - [ -0.0002051700000000, 0.0014505100000000, 0.0008408200000000 ] - [ -0.0001941800000000, 0.0014212100000000, 0.0008664200000000 ] - [ -0.0001899700000000, 0.0016021500000000, 0.0009679800000000 ] - [ -0.0002812800000000, 0.0012615300000000, 0.0008659800000000 ] - [ -0.0003077200000000, 0.0012141300000000, 0.0008840100000000 ] - [ -0.0002054200000000, 0.0014162600000000, 0.0008504100000000 ] - [ -0.0002173800000000, 0.0014770200000000, 0.0008621100000000 ] - [ -0.0002803400000000, 0.0014283700000000, 0.0008718300000000 ] - [ -0.0002748500000000, 0.0013425100000000, 0.0008628000000000 ] - [ -0.0001706000000000, 0.0013749400000000, 0.0008869400000000 ] - [ 0.0001294200000000, -0.0012636700000000, 0.0008925100000000 ] - [ 0.0004804900000000, -0.0015457700000000, 0.0009640200000000 ] - [ 0.0002509500000000, -0.0014477500000000, 0.0008538700000000 ] - [ 0.0002152100000000, -0.0014171800000000, 0.0008623900000000 ] - [ 0.0000455800000000, -0.0011632400000000, 0.0008427500000000 ] - [ 0.0000754500000000, -0.0013110200000000, 0.0009779300000000 ] - [ 0.0002501300000000, -0.0014863500000000, 0.0008611200000000 ] - [ 0.0001534200000000, -0.0013827000000000, 0.0008736200000000 ] - [ 0.0002242000000000, -0.0014744000000000, 0.0008744000000000 ] - [ 0.0002811200000000, -0.0014343200000000, 0.0008802000000000 ] - [ 0.0002864900000000, -0.0013447600000000, 0.0008824200000000 ] - [ 0.0001626900000000, -0.0013512300000000, 0.0008627300000000 ] - [ -0.0053871000000000, -0.0014203500000000, -0.0025103500000000 ] - [ -0.0014568300000000, -0.0002446500000000, 0.0008178700000000 ] - [ -0.0013478100000000, -0.0002151900000000, 0.0008602400000000 ] - [ -0.0014552600000000, -0.0002447600000000, 0.0008263000000000 ] - [ -0.0003529000000000, 0.0000858600000000, 0.0006694700000000 ] - [ -0.0013730200000000, -0.0002191800000000, 0.0008571600000000 ] - [ -0.0013455800000000, -0.0002052700000000, 0.0008726100000000 ] - [ -0.0014736500000000, -0.0002530700000000, 0.0008705700000000 ] - [ -0.0012116700000000, -0.0001770100000000, 0.0006646100000000 ] - [ -0.0014309100000000, -0.0002380300000000, 0.0008766400000000 ] - [ -0.0013393800000000, -0.0002073800000000, 0.0008691000000000 ] - [ -0.0014562300000000, -0.0002443500000000, 0.0008698300000000 ] - [ 0.0012426400000000, 0.0001456600000000, 0.0008604200000000 ] - [ 0.0013502900000000, 0.0003009600000000, 0.0008885700000000 ] - [ 0.0013896900000000, 0.0002826800000000, 0.0008721500000000 ] - [ 0.0013130300000000, 0.0002420800000000, 0.0008819000000000 ] - [ 0.0011977400000000, 0.0000996300000000, 0.0008871000000000 ] - [ 0.0014405300000000, 0.0002059600000000, 0.0008537900000000 ] - [ 0.0013724000000000, 0.0002803500000000, 0.0008666800000000 ] - [ 0.0013760400000000, 0.0001748700000000, 0.0008746200000000 ] - [ 0.0014841500000000, 0.0002183700000000, 0.0008654400000000 ] - [ 0.0013578100000000, 0.0002863000000000, 0.0008616300000000 ] - [ 0.0014127900000000, 0.0002636300000000, 0.0008640600000000 ] - [ 0.0013522400000000, 0.0001401400000000, 0.0008641400000000 ] - [ -0.0009818600000000, 0.0024525500000000, -0.0014824300000000 ] - [ -0.0002499700000000, 0.0013774900000000, 0.0008459200000000 ] - [ -0.0002050800000000, 0.0013419700000000, 0.0008668600000000 ] - [ -0.0002291700000000, 0.0014100500000000, 0.0008569100000000 ] - [ -0.0001883500000000, 0.0012399200000000, 0.0009431600000000 ] - [ -0.0002334300000000, 0.0013594000000000, 0.0008672100000000 ] - [ -0.0002264100000000, 0.0013505600000000, 0.0008741500000000 ] - [ -0.0002292900000000, 0.0014192000000000, 0.0008632800000000 ] - [ -0.0001706100000000, 0.0013124300000000, 0.0009356600000000 ] - [ -0.0002407200000000, 0.0013960000000000, 0.0008680400000000 ] - [ -0.0002095300000000, 0.0013362000000000, 0.0008694700000000 ] - [ -0.0002410300000000, 0.0014476400000000, 0.0008705100000000 ] - [ 0.0001062000000000, -0.0027674100000000, -0.0014770500000000 ] - [ 0.0001749800000000, -0.0013282100000000, 0.0008573000000000 ] - [ 0.0002338600000000, -0.0013911000000000, 0.0008471700000000 ] - [ 0.0002145500000000, -0.0014007400000000, 0.0008573800000000 ] - [ 0.0001602100000000, -0.0012749800000000, 0.0009397000000000 ] - [ 0.0002114000000000, -0.0013407300000000, 0.0008674600000000 ] - [ 0.0002283200000000, -0.0013509800000000, 0.0008804200000000 ] - [ 0.0002270800000000, -0.0014234400000000, 0.0008704800000000 ] - [ 0.0002064000000000, -0.0012891700000000, 0.0009407300000000 ] - [ 0.0002070600000000, -0.0013483200000000, 0.0008741300000000 ] - [ 0.0002466700000000, -0.0014073200000000, 0.0008688100000000 ] - [ 0.0002235400000000, -0.0014289100000000, 0.0008740000000000 ] - [ -0.0015473200000000, -0.0000411800000000, 0.0008099600000000 ] - [ -0.0014144100000000, -0.0002547900000000, 0.0008648600000000 ] - [ -0.0013227900000000, -0.0001875500000000, 0.0008646800000000 ] - [ -0.0014280300000000, -0.0002208700000000, 0.0008374700000000 ] - [ -0.0014171500000000, -0.0004872600000000, 0.0008158100000000 ] - [ -0.0014610500000000, -0.0002344200000000, 0.0008553600000000 ] - [ -0.0013904600000000, -0.0002791700000000, 0.0008756900000000 ] - [ -0.0014657900000000, -0.0002360900000000, 0.0008494700000000 ] - [ -0.0014783500000000, -0.0002155600000000, 0.0008754600000000 ] - [ -0.0013896400000000, -0.0002934700000000, 0.0008697700000000 ] - [ -0.0014049000000000, -0.0002507200000000, 0.0008703600000000 ] - [ -0.0013401900000000, -0.0001489200000000, 0.0008968400000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0001257800000000, 0.0001849100000000, 0.0145403700000000 ] - [ -0.0001724900000000, 0.0002997800000000, 0.0145686000000000 ] - [ 0.0000059800000000, -0.0002997800000000, 0.0144818600000000 ] - [ -0.0002500600000000, -0.0003371900000000, 0.0145454300000000 ] - [ -0.0001340800000000, -0.0001703500000000, 0.0145221300000000 ] - [ 0.0000878800000000, -0.0001324700000000, 0.0146266000000000 ] - [ -0.0000910600000000, 0.0001630700000000, 0.0145371300000000 ] - [ 0.0001200700000000, 0.0001488800000000, 0.0146667400000000 ] - [ -0.0000654700000000, -0.0003531900000000, 0.0146219900000000 ] - [ -0.0000893900000000, 0.0002050500000000, 0.0146215800000000 ] - [ -0.0000018800000000, 0.0005378600000000, 0.0146648500000000 ] - [ -0.0002021900000000, -0.0002060000000000, 0.0146083600000000 ] - [ 0.0072265400000000, 0.0020195000000000, -0.0096746600000000 ] - [ -0.0003391900000000, 0.0000018400000000, 0.0145891600000000 ] - [ 0.0001036700000000, -0.0000614500000000, 0.0145827600000000 ] - [ -0.0001004700000000, -0.0000257700000000, 0.0145740600000000 ] - [ 0.0023712800000000, 0.0006751400000000, 0.0142336300000000 ] - [ -0.0000459200000000, 0.0000189000000000, 0.0145789200000000 ] - [ 0.0000558800000000, -0.0000004300000000, 0.0146162600000000 ] - [ -0.0001003100000000, -0.0000280500000000, 0.0145955700000000 ] - [ 0.0000739000000000, 0.0000561400000000, 0.0156738700000000 ] - [ -0.0001533600000000, 0.0000563700000000, 0.0146199900000000 ] - [ 0.0000881400000000, -0.0000687100000000, 0.0146341500000000 ] - [ -0.0000611100000000, 0.0000063900000000, 0.0146210400000000 ] - [ 0.0124478100000000, 0.0036832400000000, -0.0212475400000000 ] - [ 0.0000147600000000, -0.0000072400000000, -0.0180685600000000 ] - [ -0.0000063400000000, 0.0000052800000000, -0.0180341200000000 ] - [ 0.0000087100000000, 0.0000064300000000, -0.0180788700000000 ] - [ -0.0066554600000000, -0.0019420800000000, -0.0212313800000000 ] - [ 0.0000122900000000, -0.0000012100000000, -0.0180399700000000 ] - [ -0.0000057600000000, 0.0000039600000000, -0.0180655700000000 ] - [ 0.0000054000000000, 0.0000014500000000, -0.0179966000000000 ] - [ -0.0003723000000000, -0.0001041300000000, -0.0187349700000000 ] - [ 0.0000026500000000, -0.0000041100000000, -0.0180154700000000 ] - [ -0.0000036300000000, 0.0000071500000000, -0.0180655200000000 ] - [ 0.0000066300000000, 0.0000027700000000, -0.0180623400000000 ] - [ -0.0000763800000000, 0.0000188400000000, -0.0181103700000000 ] - [ 0.0000261600000000, -0.0000143000000000, -0.0180269400000000 ] - [ 0.0000171500000000, 0.0000184600000000, -0.0179404300000000 ] - [ 0.0000295600000000, 0.0000447300000000, -0.0180002200000000 ] - [ -0.0000274600000000, -0.0000086200000000, -0.0179863700000000 ] - [ 0.0000033600000000, -0.0000087100000000, -0.0179667700000000 ] - [ 0.0000059200000000, 0.0000075400000000, -0.0179419200000000 ] - [ 0.0000108300000000, 0.0000009400000000, -0.0180020100000000 ] - [ 0.0000712300000000, 0.0001572500000000, -0.0179767200000000 ] - [ 0.0000022900000000, -0.0000152900000000, -0.0180963100000000 ] - [ 0.0000277400000000, -0.0000894000000000, -0.0180347000000000 ] - [ 0.0000098000000000, -0.0000027800000000, -0.0180882300000000 ] - [ -0.0171213400000000, -0.0054281300000000, 0.0223290300000000 ] - [ 0.0015042700000000, 0.0002750500000000, 0.0008410100000000 ] - [ 0.0014110000000000, 0.0002479400000000, 0.0008734500000000 ] - [ 0.0014649200000000, 0.0002261100000000, 0.0008609100000000 ] - [ 0.0011170300000000, 0.0000989500000000, 0.0015597600000000 ] - [ 0.0014184500000000, 0.0002389900000000, 0.0008570300000000 ] - [ 0.0014051400000000, 0.0002463100000000, 0.0008615200000000 ] - [ 0.0014874100000000, 0.0002316500000000, 0.0008603600000000 ] - [ 0.0015697000000000, 0.0002967700000000, 0.0015652500000000 ] - [ 0.0014650800000000, 0.0002500600000000, 0.0008578300000000 ] - [ 0.0014000400000000, 0.0002465500000000, 0.0008688500000000 ] - [ 0.0014696000000000, 0.0002180900000000, 0.0008568300000000 ] - [ -0.0001954400000000, 0.0014039300000000, 0.0007488700000000 ] - [ -0.0002558700000000, 0.0014797100000000, 0.0008581400000000 ] - [ -0.0003247800000000, 0.0013811700000000, 0.0008762400000000 ] - [ -0.0001805100000000, 0.0013771400000000, 0.0008737000000000 ] - [ -0.0002175400000000, 0.0012094500000000, 0.0007418300000000 ] - [ -0.0002411300000000, 0.0015538600000000, 0.0008595700000000 ] - [ -0.0002340700000000, 0.0016473700000000, 0.0008373900000000 ] - [ -0.0001872800000000, 0.0013798000000000, 0.0008761300000000 ] - [ -0.0001801500000000, 0.0013372100000000, 0.0008491300000000 ] - [ -0.0002540700000000, 0.0013736000000000, 0.0008517300000000 ] - [ -0.0002388800000000, 0.0014992300000000, 0.0008415900000000 ] - [ -0.0002222900000000, 0.0014589800000000, 0.0008367400000000 ] - [ 0.0002670600000000, -0.0015234500000000, 0.0008393500000000 ] - [ 0.0000519600000000, -0.0012842900000000, 0.0007485400000000 ] - [ 0.0002767400000000, -0.0013836300000000, 0.0008787200000000 ] - [ 0.0001777600000000, -0.0014324200000000, 0.0008532500000000 ] - [ 0.0003409200000000, -0.0016163700000000, 0.0008663200000000 ] - [ 0.0004435600000000, -0.0015383100000000, 0.0007433700000000 ] - [ 0.0002746500000000, -0.0013624100000000, 0.0008676700000000 ] - [ 0.0002251100000000, -0.0014319700000000, 0.0008382300000000 ] - [ 0.0001817600000000, -0.0013380200000000, 0.0008556100000000 ] - [ 0.0002534400000000, -0.0013771000000000, 0.0008561600000000 ] - [ 0.0002439600000000, -0.0014657000000000, 0.0008365300000000 ] - [ 0.0002220600000000, -0.0014600500000000, 0.0008512700000000 ] - [ 0.0024848900000000, 0.0009281900000000, 0.0042363900000000 ] - [ -0.0012988500000000, -0.0002015500000000, 0.0009191800000000 ] - [ -0.0014769000000000, -0.0002541200000000, 0.0008676700000000 ] - [ -0.0014050900000000, -0.0002125600000000, 0.0009015400000000 ] - [ -0.0024665900000000, -0.0005440300000000, 0.0010517400000000 ] - [ -0.0013942700000000, -0.0002417500000000, 0.0008503400000000 ] - [ -0.0014380800000000, -0.0002499500000000, 0.0008618400000000 ] - [ -0.0014087400000000, -0.0001989700000000, 0.0008570900000000 ] - [ -0.0015581600000000, -0.0002744400000000, 0.0010614300000000 ] - [ -0.0013840200000000, -0.0002344300000000, 0.0008566800000000 ] - [ -0.0014447200000000, -0.0002400300000000, 0.0008610500000000 ] - [ -0.0014485200000000, -0.0002273700000000, 0.0008570200000000 ] - [ 0.0015587500000000, 0.0002466000000000, 0.0008555500000000 ] - [ 0.0014897500000000, 0.0002183800000000, 0.0008588600000000 ] - [ 0.0014091900000000, 0.0002311200000000, 0.0008703600000000 ] - [ 0.0014660500000000, 0.0001346500000000, 0.0008386400000000 ] - [ 0.0016661800000000, 0.0003076200000000, 0.0008366000000000 ] - [ 0.0013719200000000, 0.0003167600000000, 0.0008534400000000 ] - [ 0.0014217200000000, 0.0002351600000000, 0.0008485700000000 ] - [ 0.0014802500000000, 0.0002263100000000, 0.0008579100000000 ] - [ 0.0013366500000000, 0.0001842600000000, 0.0008455000000000 ] - [ 0.0014681900000000, 0.0002552300000000, 0.0008513900000000 ] - [ 0.0014303000000000, 0.0002629400000000, 0.0008412800000000 ] - [ 0.0014705300000000, 0.0002367200000000, 0.0008531000000000 ] - [ 0.0004397900000000, 0.0004871200000000, 0.0032000300000000 ] - [ -0.0001697400000000, 0.0013902800000000, 0.0008889500000000 ] - [ -0.0002465300000000, 0.0014810700000000, 0.0008684800000000 ] - [ -0.0002374300000000, 0.0014322100000000, 0.0008620000000000 ] - [ -0.0002820600000000, 0.0015950800000000, 0.0007834100000000 ] - [ -0.0002007200000000, 0.0014022700000000, 0.0008504500000000 ] - [ -0.0002220600000000, 0.0014219800000000, 0.0008575300000000 ] - [ -0.0002501700000000, 0.0014785900000000, 0.0008586900000000 ] - [ -0.0002655600000000, 0.0014426400000000, 0.0007934400000000 ] - [ -0.0002042600000000, 0.0013844100000000, 0.0008526900000000 ] - [ -0.0002181100000000, 0.0014239100000000, 0.0008585700000000 ] - [ -0.0002487800000000, 0.0014430900000000, 0.0008687300000000 ] - [ 0.0003226300000000, -0.0001919200000000, 0.0032037800000000 ] - [ 0.0002612100000000, -0.0014534800000000, 0.0008504900000000 ] - [ 0.0002255200000000, -0.0014147800000000, 0.0008953700000000 ] - [ 0.0002652700000000, -0.0014268600000000, 0.0008649600000000 ] - [ 0.0003122500000000, -0.0015605500000000, 0.0007917800000000 ] - [ 0.0002050200000000, -0.0014266800000000, 0.0008557300000000 ] - [ 0.0002110800000000, -0.0014200300000000, 0.0008571300000000 ] - [ 0.0002767900000000, -0.0014568000000000, 0.0008721100000000 ] - [ 0.0002346500000000, -0.0014805000000000, 0.0007847200000000 ] - [ 0.0002427800000000, -0.0014579200000000, 0.0008563200000000 ] - [ 0.0001894800000000, -0.0013564800000000, 0.0008601900000000 ] - [ 0.0002554900000000, -0.0014553000000000, 0.0008615100000000 ] - [ -0.0012446700000000, -0.0003546600000000, 0.0009159600000000 ] - [ -0.0013658800000000, -0.0002557100000000, 0.0008671400000000 ] - [ -0.0015297800000000, -0.0003539900000000, 0.0008439500000000 ] - [ -0.0013763400000000, -0.0001557000000000, 0.0008685700000000 ] - [ -0.0014585000000000, 0.0000530000000000, 0.0009177900000000 ] - [ -0.0013514400000000, -0.0002838000000000, 0.0008712400000000 ] - [ -0.0014223200000000, -0.0002336800000000, 0.0008479400000000 ] - [ -0.0013726800000000, -0.0001565700000000, 0.0008692900000000 ] - [ -0.0013378200000000, -0.0001961400000000, 0.0008426200000000 ] - [ -0.0014805100000000, -0.0002537900000000, 0.0008457300000000 ] - [ -0.0014278900000000, -0.0002636900000000, 0.0008587300000000 ] - [ -0.0014329700000000, -0.0002181000000000, 0.0008444300000000 ]