# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/5b8d0788-525b-469a-bdd0-f0e04b13b3ac/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 Zn(InSe2)2 / I-4 (82) / materials id 22607](https://mdr.nims.go.jp/datasets/f30e044d-9c7a-42a4-86d9-65e693fc7407) ## 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: "I-4" number: 82 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:- [ 3, 0, 0 ]- [ 0, 3, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ -2.835512840000000, 2.835512840000000, 5.741871305000000 ] # a - [ 2.835512840000000, -2.835512840000000, 5.741871305000000 ] # b - [ 2.835512840000000, 2.835512840000000, -5.741871305000000 ] # c points: - symbol: Zn # 1 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 65.380000 - symbol: Se # 2 coordinates: [ 0.399840120000000, 0.922105880000000, 0.056095900000000 ] mass: 78.960000 - symbol: Se # 3 coordinates: [ 0.866009980000000, 0.343744220000000, 0.943904100000000 ] mass: 78.960000 - symbol: Se # 4 coordinates: [ 0.077894120000000, 0.133990020000000, 0.477734240000000 ] mass: 78.960000 - symbol: Se # 5 coordinates: [ 0.656255780000000, 0.600159880000000, 0.522265760000000 ] mass: 78.960000 - symbol: In # 6 coordinates: [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ] mass: 114.818000 - symbol: In # 7 coordinates: [ 0.250000000000000, 0.750000000000000, 0.500000000000000 ] mass: 114.818000 reciprocal_lattice: # without 2pi - [ -0.000000000000000, 0.176334944757295, 0.087079624993441 ] # a* - [ 0.176334944757295, 0.000000000000000, 0.087079624993441 ] # b* - [ 0.176334944757295, 0.176334944757295, 0.000000000000000 ] # c*unit_cell: lattice: - [ 5.671025680000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 5.671025680000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 11.483742610000000 ] # c points: - symbol: Zn # 1 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 65.380000 reduced_to: 1 - symbol: Zn # 2 coordinates: [ 0.500000000000000, 0.500000000000000, 0.500000000000000 ] mass: 65.380000 reduced_to: 1 - symbol: Se # 3 coordinates: [ 0.789180830000000, 0.266915070000000, 0.132925050000000 ] mass: 78.960000 reduced_to: 3 - symbol: Se # 4 coordinates: [ 0.210819170000000, 0.733084930000000, 0.132925050000000 ] mass: 78.960000 reduced_to: 4 - symbol: Se # 5 coordinates: [ 0.766915070000000, 0.710819170000000, 0.367074950000000 ] mass: 78.960000 reduced_to: 5 - symbol: Se # 6 coordinates: [ 0.233084930000000, 0.289180830000000, 0.367074950000000 ] mass: 78.960000 reduced_to: 6 - symbol: Se # 7 coordinates: [ 0.289180830000000, 0.766915070000000, 0.632925050000000 ] mass: 78.960000 reduced_to: 3 - symbol: Se # 8 coordinates: [ 0.710819170000000, 0.233084930000000, 0.632925050000000 ] mass: 78.960000 reduced_to: 4 - symbol: Se # 9 coordinates: [ 0.266915070000000, 0.210819170000000, 0.867074950000000 ] mass: 78.960000 reduced_to: 5 - symbol: Se # 10 coordinates: [ 0.733084930000000, 0.789180830000000, 0.867074950000000 ] mass: 78.960000 reduced_to: 6 - symbol: In # 11 coordinates: [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ] mass: 114.818000 reduced_to: 11 - symbol: In # 12 coordinates: [ 0.500000000000000, 0.000000000000000, 0.250000000000000 ] mass: 114.818000 reduced_to: 12 - symbol: In # 13 coordinates: [ 0.000000000000000, 0.000000000000000, 0.500000000000000 ] mass: 114.818000 reduced_to: 11 - symbol: In # 14 coordinates: [ 0.000000000000000, 0.500000000000000, 0.750000000000000 ] mass: 114.818000 reduced_to: 12supercell: lattice: - [ 17.013077039999999, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 17.013077039999999, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 11.483742610000000 ] # c points: - symbol: Zn # 1 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 65.380000 reduced_to: 1 - symbol: Zn # 2 coordinates: [ 0.333333333333333, 0.000000000000000, 0.000000000000000 ] mass: 65.380000 reduced_to: 1 - symbol: Zn # 3 coordinates: [ 0.666666666666667, 0.000000000000000, 0.000000000000000 ] mass: 65.380000 reduced_to: 1 - symbol: Zn # 4 coordinates: [ 0.000000000000000, 0.333333333333333, 0.000000000000000 ] mass: 65.380000 reduced_to: 1 - symbol: Zn # 5 coordinates: [ 0.333333333333333, 0.333333333333333, 0.000000000000000 ] mass: 65.380000 reduced_to: 1 - symbol: Zn # 6 coordinates: [ 0.666666666666667, 0.333333333333333, 0.000000000000000 ] mass: 65.380000 reduced_to: 1 - symbol: Zn # 7 coordinates: [ 0.000000000000000, 0.666666666666667, 0.000000000000000 ] mass: 65.380000 reduced_to: 1 - symbol: Zn # 8 coordinates: [ 0.333333333333333, 0.666666666666667, 0.000000000000000 ] mass: 65.380000 reduced_to: 1 - symbol: Zn # 9 coordinates: [ 0.666666666666667, 0.666666666666667, 0.000000000000000 ] mass: 65.380000 reduced_to: 1 - symbol: Zn # 10 coordinates: [ 0.166666666666667, 0.166666666666667, 0.500000000000000 ] mass: 65.380000 reduced_to: 1 - symbol: Zn # 11 coordinates: [ 0.500000000000000, 0.166666666666667, 0.500000000000000 ] mass: 65.380000 reduced_to: 1 - symbol: Zn # 12 coordinates: [ 0.833333333333333, 0.166666666666667, 0.500000000000000 ] mass: 65.380000 reduced_to: 1 - symbol: Zn # 13 coordinates: [ 0.166666666666667, 0.500000000000000, 0.500000000000000 ] mass: 65.380000 reduced_to: 1 - symbol: Zn # 14 coordinates: [ 0.500000000000000, 0.500000000000000, 0.500000000000000 ] mass: 65.380000 reduced_to: 1 - symbol: Zn # 15 coordinates: [ 0.833333333333333, 0.500000000000000, 0.500000000000000 ] mass: 65.380000 reduced_to: 1 - symbol: Zn # 16 coordinates: [ 0.166666666666667, 0.833333333333333, 0.500000000000000 ] mass: 65.380000 reduced_to: 1 - symbol: Zn # 17 coordinates: [ 0.500000000000000, 0.833333333333333, 0.500000000000000 ] mass: 65.380000 reduced_to: 1 - symbol: Zn # 18 coordinates: [ 0.833333333333333, 0.833333333333333, 0.500000000000000 ] mass: 65.380000 reduced_to: 1 - symbol: Se # 19 coordinates: [ 0.263060276666667, 0.088971690000000, 0.132925050000000 ] mass: 78.960000 reduced_to: 19 - symbol: Se # 20 coordinates: [ 0.596393610000000, 0.088971690000000, 0.132925050000000 ] mass: 78.960000 reduced_to: 19 - symbol: Se # 21 coordinates: [ 0.929726943333333, 0.088971690000000, 0.132925050000000 ] mass: 78.960000 reduced_to: 19 - symbol: Se # 22 coordinates: [ 0.263060276666667, 0.422305023333333, 0.132925050000000 ] mass: 78.960000 reduced_to: 19 - symbol: Se # 23 coordinates: [ 0.596393610000000, 0.422305023333333, 0.132925050000000 ] mass: 78.960000 reduced_to: 19 - symbol: Se # 24 coordinates: [ 0.929726943333333, 0.422305023333333, 0.132925050000000 ] mass: 78.960000 reduced_to: 19 - symbol: Se # 25 coordinates: [ 0.263060276666667, 0.755638356666667, 0.132925050000000 ] mass: 78.960000 reduced_to: 19 - symbol: Se # 26 coordinates: [ 0.596393610000000, 0.755638356666667, 0.132925050000000 ] mass: 78.960000 reduced_to: 19 - symbol: Se # 27 coordinates: [ 0.929726943333333, 0.755638356666667, 0.132925050000000 ] mass: 78.960000 reduced_to: 19 - symbol: Se # 28 coordinates: [ 0.070273056666667, 0.244361643333333, 0.132925050000000 ] mass: 78.960000 reduced_to: 28 - symbol: Se # 29 coordinates: [ 0.403606390000000, 0.244361643333333, 0.132925050000000 ] mass: 78.960000 reduced_to: 28 - symbol: Se # 30 coordinates: [ 0.736939723333333, 0.244361643333333, 0.132925050000000 ] mass: 78.960000 reduced_to: 28 - symbol: Se # 31 coordinates: [ 0.070273056666667, 0.577694976666667, 0.132925050000000 ] mass: 78.960000 reduced_to: 28 - symbol: Se # 32 coordinates: [ 0.403606390000000, 0.577694976666667, 0.132925050000000 ] mass: 78.960000 reduced_to: 28 - symbol: Se # 33 coordinates: [ 0.736939723333333, 0.577694976666667, 0.132925050000000 ] mass: 78.960000 reduced_to: 28 - symbol: Se # 34 coordinates: [ 0.070273056666667, 0.911028310000000, 0.132925050000000 ] mass: 78.960000 reduced_to: 28 - symbol: Se # 35 coordinates: [ 0.403606390000000, 0.911028310000000, 0.132925050000000 ] mass: 78.960000 reduced_to: 28 - symbol: Se # 36 coordinates: [ 0.736939723333333, 0.911028310000000, 0.132925050000000 ] mass: 78.960000 reduced_to: 28 - symbol: Se # 37 coordinates: [ 0.255638356666667, 0.236939723333333, 0.367074950000000 ] mass: 78.960000 reduced_to: 37 - symbol: Se # 38 coordinates: [ 0.588971690000000, 0.236939723333333, 0.367074950000000 ] mass: 78.960000 reduced_to: 37 - symbol: Se # 39 coordinates: [ 0.922305023333333, 0.236939723333333, 0.367074950000000 ] mass: 78.960000 reduced_to: 37 - symbol: Se # 40 coordinates: [ 0.255638356666667, 0.570273056666667, 0.367074950000000 ] mass: 78.960000 reduced_to: 37 - symbol: Se # 41 coordinates: [ 0.588971690000000, 0.570273056666667, 0.367074950000000 ] mass: 78.960000 reduced_to: 37 - symbol: Se # 42 coordinates: [ 0.922305023333333, 0.570273056666667, 0.367074950000000 ] mass: 78.960000 reduced_to: 37 - symbol: Se # 43 coordinates: [ 0.255638356666667, 0.903606390000000, 0.367074950000000 ] mass: 78.960000 reduced_to: 37 - symbol: Se # 44 coordinates: [ 0.588971690000000, 0.903606390000000, 0.367074950000000 ] mass: 78.960000 reduced_to: 37 - symbol: Se # 45 coordinates: [ 0.922305023333333, 0.903606390000000, 0.367074950000000 ] mass: 78.960000 reduced_to: 37 - symbol: Se # 46 coordinates: [ 0.077694976666667, 0.096393610000000, 0.367074950000000 ] mass: 78.960000 reduced_to: 46 - symbol: Se # 47 coordinates: [ 0.411028310000000, 0.096393610000000, 0.367074950000000 ] mass: 78.960000 reduced_to: 46 - symbol: Se # 48 coordinates: [ 0.744361643333333, 0.096393610000000, 0.367074950000000 ] mass: 78.960000 reduced_to: 46 - symbol: Se # 49 coordinates: [ 0.077694976666667, 0.429726943333333, 0.367074950000000 ] mass: 78.960000 reduced_to: 46 - symbol: Se # 50 coordinates: [ 0.411028310000000, 0.429726943333333, 0.367074950000000 ] mass: 78.960000 reduced_to: 46 - symbol: Se # 51 coordinates: [ 0.744361643333333, 0.429726943333333, 0.367074950000000 ] mass: 78.960000 reduced_to: 46 - symbol: Se # 52 coordinates: [ 0.077694976666667, 0.763060276666667, 0.367074950000000 ] mass: 78.960000 reduced_to: 46 - symbol: Se # 53 coordinates: [ 0.411028310000000, 0.763060276666667, 0.367074950000000 ] mass: 78.960000 reduced_to: 46 - symbol: Se # 54 coordinates: [ 0.744361643333333, 0.763060276666667, 0.367074950000000 ] mass: 78.960000 reduced_to: 46 - symbol: Se # 55 coordinates: [ 0.096393610000000, 0.255638356666667, 0.632925050000000 ] mass: 78.960000 reduced_to: 19 - symbol: Se # 56 coordinates: [ 0.429726943333333, 0.255638356666667, 0.632925050000000 ] mass: 78.960000 reduced_to: 19 - symbol: Se # 57 coordinates: [ 0.763060276666667, 0.255638356666667, 0.632925050000000 ] mass: 78.960000 reduced_to: 19 - symbol: Se # 58 coordinates: [ 0.096393610000000, 0.588971690000000, 0.632925050000000 ] mass: 78.960000 reduced_to: 19 - symbol: Se # 59 coordinates: [ 0.429726943333333, 0.588971690000000, 0.632925050000000 ] mass: 78.960000 reduced_to: 19 - symbol: Se # 60 coordinates: [ 0.763060276666667, 0.588971690000000, 0.632925050000000 ] mass: 78.960000 reduced_to: 19 - symbol: Se # 61 coordinates: [ 0.096393610000000, 0.922305023333333, 0.632925050000000 ] mass: 78.960000 reduced_to: 19 - symbol: Se # 62 coordinates: [ 0.429726943333333, 0.922305023333333, 0.632925050000000 ] mass: 78.960000 reduced_to: 19 - symbol: Se # 63 coordinates: [ 0.763060276666667, 0.922305023333333, 0.632925050000000 ] mass: 78.960000 reduced_to: 19 - symbol: Se # 64 coordinates: [ 0.236939723333333, 0.077694976666667, 0.632925050000000 ] mass: 78.960000 reduced_to: 28 - symbol: Se # 65 coordinates: [ 0.570273056666667, 0.077694976666667, 0.632925050000000 ] mass: 78.960000 reduced_to: 28 - symbol: Se # 66 coordinates: [ 0.903606390000000, 0.077694976666667, 0.632925050000000 ] mass: 78.960000 reduced_to: 28 - symbol: Se # 67 coordinates: [ 0.236939723333333, 0.411028310000000, 0.632925050000000 ] mass: 78.960000 reduced_to: 28 - symbol: Se # 68 coordinates: [ 0.570273056666667, 0.411028310000000, 0.632925050000000 ] mass: 78.960000 reduced_to: 28 - symbol: Se # 69 coordinates: [ 0.903606390000000, 0.411028310000000, 0.632925050000000 ] mass: 78.960000 reduced_to: 28 - symbol: Se # 70 coordinates: [ 0.236939723333333, 0.744361643333333, 0.632925050000000 ] mass: 78.960000 reduced_to: 28 - symbol: Se # 71 coordinates: [ 0.570273056666667, 0.744361643333333, 0.632925050000000 ] mass: 78.960000 reduced_to: 28 - symbol: Se # 72 coordinates: [ 0.903606390000000, 0.744361643333333, 0.632925050000000 ] mass: 78.960000 reduced_to: 28 - symbol: Se # 73 coordinates: [ 0.088971690000000, 0.070273056666667, 0.867074950000000 ] mass: 78.960000 reduced_to: 37 - symbol: Se # 74 coordinates: [ 0.422305023333333, 0.070273056666667, 0.867074950000000 ] mass: 78.960000 reduced_to: 37 - symbol: Se # 75 coordinates: [ 0.755638356666667, 0.070273056666667, 0.867074950000000 ] mass: 78.960000 reduced_to: 37 - symbol: Se # 76 coordinates: [ 0.088971690000000, 0.403606390000000, 0.867074950000000 ] mass: 78.960000 reduced_to: 37 - symbol: Se # 77 coordinates: [ 0.422305023333333, 0.403606390000000, 0.867074950000000 ] mass: 78.960000 reduced_to: 37 - symbol: Se # 78 coordinates: [ 0.755638356666667, 0.403606390000000, 0.867074950000000 ] mass: 78.960000 reduced_to: 37 - symbol: Se # 79 coordinates: [ 0.088971690000000, 0.736939723333333, 0.867074950000000 ] mass: 78.960000 reduced_to: 37 - symbol: Se # 80 coordinates: [ 0.422305023333333, 0.736939723333333, 0.867074950000000 ] mass: 78.960000 reduced_to: 37 - symbol: Se # 81 coordinates: [ 0.755638356666667, 0.736939723333333, 0.867074950000000 ] mass: 78.960000 reduced_to: 37 - symbol: Se # 82 coordinates: [ 0.244361643333333, 0.263060276666667, 0.867074950000000 ] mass: 78.960000 reduced_to: 46 - symbol: Se # 83 coordinates: [ 0.577694976666667, 0.263060276666667, 0.867074950000000 ] mass: 78.960000 reduced_to: 46 - symbol: Se # 84 coordinates: [ 0.911028310000000, 0.263060276666667, 0.867074950000000 ] mass: 78.960000 reduced_to: 46 - symbol: Se # 85 coordinates: [ 0.244361643333333, 0.596393610000000, 0.867074950000000 ] mass: 78.960000 reduced_to: 46 - symbol: Se # 86 coordinates: [ 0.577694976666667, 0.596393610000000, 0.867074950000000 ] mass: 78.960000 reduced_to: 46 - symbol: Se # 87 coordinates: [ 0.911028310000000, 0.596393610000000, 0.867074950000000 ] mass: 78.960000 reduced_to: 46 - symbol: Se # 88 coordinates: [ 0.244361643333333, 0.929726943333333, 0.867074950000000 ] mass: 78.960000 reduced_to: 46 - symbol: Se # 89 coordinates: [ 0.577694976666667, 0.929726943333333, 0.867074950000000 ] mass: 78.960000 reduced_to: 46 - symbol: Se # 90 coordinates: [ 0.911028310000000, 0.929726943333333, 0.867074950000000 ] mass: 78.960000 reduced_to: 46 - symbol: In # 91 coordinates: [ 0.166666666666667, 0.166666666666667, 0.000000000000000 ] mass: 114.818000 reduced_to: 91 - symbol: In # 92 coordinates: [ 0.500000000000000, 0.166666666666667, 0.000000000000000 ] mass: 114.818000 reduced_to: 91 - symbol: In # 93 coordinates: [ 0.833333333333333, 0.166666666666667, 0.000000000000000 ] mass: 114.818000 reduced_to: 91 - symbol: In # 94 coordinates: [ 0.166666666666667, 0.500000000000000, 0.000000000000000 ] mass: 114.818000 reduced_to: 91 - symbol: In # 95 coordinates: [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ] mass: 114.818000 reduced_to: 91 - symbol: In # 96 coordinates: [ 0.833333333333333, 0.500000000000000, 0.000000000000000 ] mass: 114.818000 reduced_to: 91 - symbol: In # 97 coordinates: [ 0.166666666666667, 0.833333333333333, 0.000000000000000 ] mass: 114.818000 reduced_to: 91 - symbol: In # 98 coordinates: [ 0.500000000000000, 0.833333333333333, 0.000000000000000 ] mass: 114.818000 reduced_to: 91 - symbol: In # 99 coordinates: [ 0.833333333333333, 0.833333333333333, 0.000000000000000 ] mass: 114.818000 reduced_to: 91 - symbol: In # 100 coordinates: [ 0.166666666666667, 0.000000000000000, 0.250000000000000 ] mass: 114.818000 reduced_to: 100 - symbol: In # 101 coordinates: [ 0.500000000000000, 0.000000000000000, 0.250000000000000 ] mass: 114.818000 reduced_to: 100 - symbol: In # 102 coordinates: [ 0.833333333333333, 0.000000000000000, 0.250000000000000 ] mass: 114.818000 reduced_to: 100 - symbol: In # 103 coordinates: [ 0.166666666666667, 0.333333333333333, 0.250000000000000 ] mass: 114.818000 reduced_to: 100 - symbol: In # 104 coordinates: [ 0.500000000000000, 0.333333333333333, 0.250000000000000 ] mass: 114.818000 reduced_to: 100 - symbol: In # 105 coordinates: [ 0.833333333333333, 0.333333333333333, 0.250000000000000 ] mass: 114.818000 reduced_to: 100 - symbol: In # 106 coordinates: [ 0.166666666666667, 0.666666666666667, 0.250000000000000 ] mass: 114.818000 reduced_to: 100 - symbol: In # 107 coordinates: [ 0.500000000000000, 0.666666666666667, 0.250000000000000 ] mass: 114.818000 reduced_to: 100 - symbol: In # 108 coordinates: [ 0.833333333333333, 0.666666666666667, 0.250000000000000 ] mass: 114.818000 reduced_to: 100 - symbol: In # 109 coordinates: [ 0.000000000000000, 0.000000000000000, 0.500000000000000 ] mass: 114.818000 reduced_to: 91 - symbol: In # 110 coordinates: [ 0.333333333333333, 0.000000000000000, 0.500000000000000 ] mass: 114.818000 reduced_to: 91 - symbol: In # 111 coordinates: [ 0.666666666666667, 0.000000000000000, 0.500000000000000 ] mass: 114.818000 reduced_to: 91 - symbol: In # 112 coordinates: [ 0.000000000000000, 0.333333333333333, 0.500000000000000 ] mass: 114.818000 reduced_to: 91 - symbol: In # 113 coordinates: [ 0.333333333333333, 0.333333333333333, 0.500000000000000 ] mass: 114.818000 reduced_to: 91 - symbol: In # 114 coordinates: [ 0.666666666666667, 0.333333333333333, 0.500000000000000 ] mass: 114.818000 reduced_to: 91 - symbol: In # 115 coordinates: [ 0.000000000000000, 0.666666666666667, 0.500000000000000 ] mass: 114.818000 reduced_to: 91 - symbol: In # 116 coordinates: [ 0.333333333333333, 0.666666666666667, 0.500000000000000 ] mass: 114.818000 reduced_to: 91 - symbol: In # 117 coordinates: [ 0.666666666666667, 0.666666666666667, 0.500000000000000 ] mass: 114.818000 reduced_to: 91 - symbol: In # 118 coordinates: [ 0.000000000000000, 0.166666666666667, 0.750000000000000 ] mass: 114.818000 reduced_to: 100 - symbol: In # 119 coordinates: [ 0.333333333333333, 0.166666666666667, 0.750000000000000 ] mass: 114.818000 reduced_to: 100 - symbol: In # 120 coordinates: [ 0.666666666666667, 0.166666666666667, 0.750000000000000 ] mass: 114.818000 reduced_to: 100 - symbol: In # 121 coordinates: [ 0.000000000000000, 0.500000000000000, 0.750000000000000 ] mass: 114.818000 reduced_to: 100 - symbol: In # 122 coordinates: [ 0.333333333333333, 0.500000000000000, 0.750000000000000 ] mass: 114.818000 reduced_to: 100 - symbol: In # 123 coordinates: [ 0.666666666666667, 0.500000000000000, 0.750000000000000 ] mass: 114.818000 reduced_to: 100 - symbol: In # 124 coordinates: [ 0.000000000000000, 0.833333333333333, 0.750000000000000 ] mass: 114.818000 reduced_to: 100 - symbol: In # 125 coordinates: [ 0.333333333333333, 0.833333333333333, 0.750000000000000 ] mass: 114.818000 reduced_to: 100 - symbol: In # 126 coordinates: [ 0.666666666666667, 0.833333333333333, 0.750000000000000 ] mass: 114.818000 reduced_to: 100born_effective_charge:- # 1 (Zn) - [ 2.165496520000000, -0.455962490000000, -0.000000000000000 ] - [ 0.455962490000000, 2.165496520000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 2.045025180000000 ]- # 2 (Se) - [ -1.829396520000000, 0.467108040000000, 0.415875930000000 ] - [ 0.466049560000000, -1.993178490000000, 0.447507530000000 ] - [ 0.366672580000000, 0.388486100000000, -1.987717140000000 ]- # 3 (Se) - [ -1.829396520000000, 0.467108040000000, -0.415875930000000 ] - [ 0.466049560000000, -1.993178490000000, -0.447507530000000 ] - [ -0.366672580000000, -0.388486100000000, -1.987717140000000 ]- # 4 (Se) - [ -1.993178490000000, -0.466049560000000, -0.447507530000000 ] - [ -0.467108040000000, -1.829396520000000, 0.415875930000000 ] - [ -0.388486100000000, 0.366672580000000, -1.987717140000000 ]- # 5 (Se) - [ -1.993178490000000, -0.466049560000000, 0.447507530000000 ] - [ -0.467108040000000, -1.829396520000000, -0.415875930000000 ] - [ 0.388486100000000, -0.366672580000000, -1.987717140000000 ]- # 6 (In) - [ 2.852257950000000, 0.674028260000000, 0.000000000000000 ] - [ -0.674028260000000, 2.852257950000000, -0.000000000000000 ] - [ -0.000000000000000, -0.000000000000000, 2.751921650000000 ]- # 7 (In) - [ 2.627395540000000, -0.220182730000000, -0.000000000000000 ] - [ 0.220182730000000, 2.627395540000000, -0.000000000000000 ] - [ 0.000000000000000, -0.000000000000000, 3.153921740000000 ]dielectric_constant: - [ 10.731462420000000, 0.000000620000000, 0.000000000000000 ] - [ -0.000000620000000, 10.731462420000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 9.559841949999999 ]displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0548837000000000, -0.0000028900000000, 0.0002143300000000 ] - [ 0.0006990700000000, -0.0001896600000000, -0.0000951800000000 ] - [ 0.0006944300000000, -0.0001896900000000, 0.0000862500000000 ] - [ -0.0003460400000000, 0.0001893000000000, -0.0001184600000000 ] - [ 0.0003166000000000, 0.0002553300000000, 0.0003572100000000 ] - [ 0.0001661800000000, -0.0002573300000000, 0.0002120400000000 ] - [ -0.0003460900000000, 0.0001876300000000, 0.0001183300000000 ] - [ 0.0001658600000000, -0.0002567200000000, -0.0002101600000000 ] - [ 0.0003174300000000, 0.0002558700000000, -0.0003591300000000 ] - [ 0.0002858200000000, -0.0001149100000000, -0.0003066600000000 ] - [ 0.0003446600000000, -0.0001000700000000, 0.0001475900000000 ] - [ -0.0001888400000000, 0.0001130700000000, -0.0003535100000000 ] - [ -0.0000145300000000, 0.0000990100000000, 0.0000266900000000 ] - [ 0.0001584700000000, -0.0000008400000000, -0.0000001400000000 ] - [ -0.0000149600000000, 0.0000990500000000, -0.0000267200000000 ] - [ -0.0001877900000000, 0.0001133000000000, 0.0003516000000000 ] - [ 0.0003449500000000, -0.0001002700000000, -0.0001479900000000 ] - [ 0.0002840600000000, -0.0001142000000000, 0.0003075800000000 ] - [ -0.0040977300000000, -0.0012607500000000, -0.0007952900000000 ] - [ -0.0034867100000000, -0.0007827100000000, -0.0005038900000000 ] - [ 0.0029908700000000, -0.0101338500000000, -0.0100957000000000 ] - [ -0.0030712000000000, -0.0009671900000000, -0.0006164800000000 ] - [ -0.0033878100000000, -0.0008012600000000, -0.0005775200000000 ] - [ -0.0029484300000000, -0.0009692800000000, -0.0006529800000000 ] - [ -0.0034288800000000, -0.0003364000000000, -0.0004782600000000 ] - [ -0.0033869400000000, -0.0009201600000000, -0.0004378100000000 ] - [ -0.0033284600000000, -0.0018182600000000, -0.0002681400000000 ] - [ 0.0029470600000000, -0.0000295700000000, -0.0008848800000000 ] - [ 0.0028900000000000, 0.0008688100000000, -0.0007150400000000 ] - [ 0.0028458200000000, 0.0014567500000000, -0.0006757000000000 ] - [ 0.0033283900000000, 0.0008204300000000, -0.0004997400000000 ] - [ 0.0028913800000000, 0.0009878600000000, -0.0005750400000000 ] - [ 0.0032065900000000, 0.0008222000000000, -0.0005352600000000 ] - [ 0.0093284200000000, -0.0085771500000000, 0.0091873500000000 ] - [ 0.0027904700000000, 0.0010069800000000, -0.0006491600000000 ] - [ 0.0021833600000000, 0.0005304900000000, -0.0003563800000000 ] - [ -0.0010285500000000, 0.0030634300000000, 0.0006911500000000 ] - [ -0.0010852300000000, 0.0031011900000000, 0.0004976700000000 ] - [ -0.0002211500000000, 0.0033786400000000, 0.0007951100000000 ] - [ -0.0008993700000000, 0.0031999200000000, 0.0005474500000000 ] - [ -0.0010456600000000, 0.0030896800000000, 0.0005576400000000 ] - [ -0.0007863800000000, 0.0029142900000000, 0.0004581800000000 ] - [ -0.0011218900000000, 0.0031150900000000, 0.0000043300000000 ] - [ -0.0013359900000000, 0.0030645100000000, 0.0005043300000000 ] - [ -0.0007749000000000, 0.0030820100000000, 0.0012135900000000 ] - [ 0.0010136600000000, -0.0031949100000000, -0.0000616500000000 ] - [ 0.0004557900000000, -0.0032133700000000, 0.0006472500000000 ] - [ 0.0006644300000000, -0.0031641500000000, 0.0011516000000000 ] - [ 0.0010033900000000, -0.0033634700000000, 0.0006938400000000 ] - [ 0.0007438600000000, -0.0031869200000000, 0.0005946200000000 ] - [ 0.0008906400000000, -0.0030780800000000, 0.0006049600000000 ] - [ 0.0015670000000000, -0.0028978000000000, 0.0003556200000000 ] - [ 0.0007044300000000, -0.0031764700000000, 0.0006549500000000 ] - [ 0.0007624600000000, -0.0032132100000000, 0.0004612300000000 ] - [ -0.0022955900000000, -0.0020928100000000, 0.0006555400000000 ] - [ -0.0033492200000000, -0.0008833100000000, -0.0004830400000000 ] - [ -0.0032437000000000, -0.0007475400000000, -0.0006261700000000 ] - [ -0.0028691700000000, -0.0008112400000000, -0.0007493200000000 ] - [ -0.0032471200000000, -0.0009077600000000, -0.0005529300000000 ] - [ -0.0031922300000000, -0.0009924900000000, -0.0005065900000000 ] - [ -0.0024734500000000, -0.0009791100000000, -0.0012365800000000 ] - [ -0.0035533700000000, -0.0006867300000000, -0.0003959900000000 ] - [ -0.0032305500000000, -0.0007011500000000, -0.0006312300000000 ] - [ 0.0030472800000000, 0.0010866500000000, -0.0005222100000000 ] - [ 0.0027234800000000, 0.0011034200000000, -0.0007548800000000 ] - [ 0.0038056900000000, 0.0008086500000000, 0.0000851200000000 ] - [ 0.0030847500000000, 0.0007967500000000, -0.0006460400000000 ] - [ 0.0030298500000000, 0.0008816600000000, -0.0005991600000000 ] - [ 0.0034087000000000, 0.0009789300000000, -0.0004025300000000 ] - [ 0.0030338900000000, 0.0010423200000000, -0.0005252200000000 ] - [ 0.0029282900000000, 0.0009066800000000, -0.0006698900000000 ] - [ 0.0039791500000000, -0.0003005800000000, -0.0018053700000000 ] - [ 0.0175162200000000, 0.0117633500000000, -0.0137285000000000 ] - [ -0.0012499800000000, 0.0030297200000000, 0.0005565000000000 ] - [ -0.0014924000000000, 0.0034511600000000, -0.0000462900000000 ] - [ -0.0007767900000000, 0.0031596100000000, 0.0006260100000000 ] - [ -0.0011402900000000, 0.0029040200000000, 0.0005023000000000 ] - [ -0.0008789000000000, 0.0030908900000000, 0.0006040400000000 ] - [ 0.0000942500000000, 0.0031929900000000, 0.0012227000000000 ] - [ -0.0011828300000000, 0.0032319500000000, 0.0005250500000000 ] - [ -0.0017061600000000, 0.0025293500000000, 0.0007278000000000 ] - [ 0.0000864800000000, -0.0037433200000000, 0.0004257200000000 ] - [ 0.0006068200000000, -0.0030471900000000, 0.0006271500000000 ] - [ 0.0018846800000000, -0.0030834600000000, -0.0000702600000000 ] - [ 0.0009101800000000, -0.0031874700000000, 0.0005481300000000 ] - [ 0.0006489800000000, -0.0033734500000000, 0.0006502100000000 ] - [ 0.0010133000000000, -0.0031177600000000, 0.0005264900000000 ] - [ 0.0002965400000000, -0.0028249800000000, 0.0011991500000000 ] - [ 0.0005401200000000, -0.0032476800000000, 0.0005966900000000 ] - [ 0.0190005700000000, 0.0051020400000000, 0.0144181700000000 ] - [ 0.0025949100000000, 0.0029977800000000, 0.0020415200000000 ] - [ 0.0005216700000000, 0.0000868800000000, 0.0000836000000000 ] - [ 0.0026993700000000, -0.0033997500000000, 0.0021064200000000 ] - [ -0.0000599600000000, 0.0000765100000000, 0.0000075900000000 ] - [ 0.0002608200000000, 0.0001249300000000, 0.0000010300000000 ] - [ -0.0000599900000000, 0.0000763700000000, -0.0000086000000000 ] - [ 0.0027106300000000, -0.0034168100000000, -0.0020955500000000 ] - [ 0.0005215900000000, 0.0000868700000000, -0.0000843800000000 ] - [ 0.0025803000000000, 0.0029896300000000, -0.0020530100000000 ] - [ 0.0026716100000000, 0.0017211400000000, 0.0032152900000000 ] - [ 0.0005324400000000, -0.0001076300000000, 0.0000005000000000 ] - [ 0.0026603600000000, 0.0017316800000000, -0.0031989000000000 ] - [ 0.0002676300000000, 0.0002315800000000, -0.0000492600000000 ] - [ 0.0002987500000000, 0.0000472400000000, 0.0001036700000000 ] - [ -0.0001538000000000, -0.0004071700000000, -0.0000890600000000 ] - [ -0.0001530800000000, -0.0004053100000000, 0.0000879600000000 ] - [ 0.0002973200000000, 0.0000462900000000, -0.0001036300000000 ] - [ 0.0002666200000000, 0.0002310200000000, 0.0000498000000000 ] - [ -0.0005893300000000, -0.0007303000000000, -0.0000001000000000 ] - [ 0.0004277500000000, 0.0000489100000000, -0.0000249000000000 ] - [ 0.0004294900000000, 0.0000483100000000, 0.0000245800000000 ] - [ -0.0014715100000000, 0.0001138000000000, -0.0006159900000000 ] - [ 0.0002045100000000, 0.0001225400000000, 0.0000040700000000 ] - [ 0.0001955100000000, -0.0000244700000000, 0.0000442900000000 ] - [ -0.0014697800000000, 0.0001132900000000, 0.0006144800000000 ] - [ 0.0001960500000000, -0.0000245400000000, -0.0000456100000000 ] - [ 0.0002038300000000, 0.0001225300000000, -0.0000029800000000 ] - [ -0.0048636500000000, 0.0024105600000000, -0.0018029300000000 ] - [ 0.0005647600000000, -0.0000431900000000, -0.0002152900000000 ] - [ 0.0004157300000000, -0.0006278400000000, 0.0003762000000000 ] - [ -0.0004004600000000, 0.0000444500000000, 0.0000000600000000 ] - [ 0.0001214800000000, 0.0001209700000000, 0.0001037900000000 ] - [ 0.0001219300000000, 0.0001216600000000, -0.0001037000000000 ] - [ -0.0048534200000000, 0.0024091200000000, 0.0018013900000000 ] - [ 0.0004176100000000, -0.0006296500000000, -0.0003782700000000 ] - [ 0.0005664900000000, -0.0000428100000000, 0.0002157200000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0678213400000000 ] - [ 0.0000917300000000, 0.0001181000000000, -0.0000007200000000 ] - [ -0.0000917300000000, -0.0001181000000000, -0.0000007200000000 ] - [ 0.0001182200000000, -0.0000901400000000, -0.0000004900000000 ] - [ -0.0003577900000000, -0.0002107700000000, -0.0005918500000000 ] - [ -0.0002112800000000, 0.0003582600000000, -0.0005924200000000 ] - [ -0.0001182200000000, 0.0000901400000000, -0.0000004900000000 ] - [ 0.0002112800000000, -0.0003582600000000, -0.0005924200000000 ] - [ 0.0003577900000000, 0.0002107700000000, -0.0005918500000000 ] - [ 0.0003079800000000, 0.0003527400000000, 0.0004688000000000 ] - [ -0.0001477700000000, 0.0000262700000000, 0.0000530200000000 ] - [ 0.0003520800000000, -0.0003063200000000, 0.0004660900000000 ] - [ -0.0000270700000000, -0.0001476500000000, 0.0000529000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000416500000000 ] - [ 0.0000270700000000, 0.0001476500000000, 0.0000529000000000 ] - [ -0.0003520800000000, 0.0003063200000000, 0.0004660900000000 ] - [ 0.0001477700000000, -0.0000262700000000, 0.0000530200000000 ] - [ -0.0003079800000000, -0.0003527400000000, 0.0004688000000000 ] - [ -0.0033310600000000, -0.0017132400000000, 0.0002378300000000 ] - [ -0.0031582700000000, -0.0008997000000000, -0.0006294200000000 ] - [ -0.0123142900000000, 0.0138446900000000, 0.0176359200000000 ] - [ -0.0032086700000000, -0.0008658900000000, -0.0005065700000000 ] - [ -0.0029211200000000, -0.0010822300000000, -0.0004213300000000 ] - [ -0.0032379800000000, -0.0009596600000000, -0.0005214100000000 ] - [ -0.0040726300000000, 0.0003414300000000, -0.0001549800000000 ] - [ -0.0032042600000000, -0.0008595200000000, -0.0005442300000000 ] - [ -0.0034544200000000, -0.0016770700000000, -0.0001427900000000 ] - [ 0.0034544200000000, 0.0016770700000000, -0.0001427900000000 ] - [ 0.0032042600000000, 0.0008595200000000, -0.0005442300000000 ] - [ 0.0040726300000000, -0.0003414300000000, -0.0001549800000000 ] - [ 0.0032379800000000, 0.0009596600000000, -0.0005214100000000 ] - [ 0.0029211200000000, 0.0010822300000000, -0.0004213300000000 ] - [ 0.0032086700000000, 0.0008658900000000, -0.0005065700000000 ] - [ 0.0123142900000000, -0.0138446900000000, 0.0176359200000000 ] - [ 0.0031582700000000, 0.0008997000000000, -0.0006294200000000 ] - [ 0.0033310600000000, 0.0017132400000000, 0.0002378300000000 ] - [ -0.0008888100000000, 0.0031083100000000, 0.0004901400000000 ] - [ -0.0007942000000000, 0.0031576900000000, 0.0005372900000000 ] - [ -0.0012836800000000, 0.0031759800000000, 0.0004291800000000 ] - [ -0.0009011800000000, 0.0032851500000000, 0.0004480400000000 ] - [ -0.0009472800000000, 0.0031480100000000, 0.0005286100000000 ] - [ -0.0008579400000000, 0.0030005200000000, 0.0005064200000000 ] - [ -0.0013246200000000, 0.0028202100000000, -0.0003077500000000 ] - [ -0.0010541000000000, 0.0032081500000000, 0.0004964500000000 ] - [ -0.0007290600000000, 0.0035537300000000, -0.0002039800000000 ] - [ 0.0007290600000000, -0.0035537300000000, -0.0002039800000000 ] - [ 0.0010541000000000, -0.0032081500000000, 0.0004964500000000 ] - [ 0.0013246200000000, -0.0028202100000000, -0.0003077500000000 ] - [ 0.0008579400000000, -0.0030005200000000, 0.0005064200000000 ] - [ 0.0009472800000000, -0.0031480100000000, 0.0005286100000000 ] - [ 0.0009011800000000, -0.0032851500000000, 0.0004480400000000 ] - [ 0.0012836800000000, -0.0031759800000000, 0.0004291800000000 ] - [ 0.0007942000000000, -0.0031576900000000, 0.0005372900000000 ] - [ 0.0008888100000000, -0.0031083100000000, 0.0004901400000000 ] - [ -0.0034760600000000, -0.0004574600000000, -0.0014639400000000 ] - [ -0.0030078500000000, -0.0008872400000000, -0.0007094700000000 ] - [ -0.0031874300000000, -0.0008966400000000, -0.0006623200000000 ] - [ -0.0030850500000000, -0.0007364900000000, -0.0006598100000000 ] - [ -0.0031420600000000, -0.0008466900000000, -0.0006339200000000 ] - [ -0.0031356600000000, -0.0009949800000000, -0.0006200300000000 ] - [ -0.0027422800000000, -0.0010535500000000, -0.0013558400000000 ] - [ -0.0032912300000000, -0.0009319100000000, -0.0006505600000000 ] - [ -0.0031204100000000, -0.0004995000000000, -0.0007244500000000 ] - [ 0.0031204100000000, 0.0004995000000000, -0.0007244500000000 ] - [ 0.0032912300000000, 0.0009319100000000, -0.0006505600000000 ] - [ 0.0027422800000000, 0.0010535500000000, -0.0013558400000000 ] - [ 0.0031356600000000, 0.0009949800000000, -0.0006200300000000 ] - [ 0.0031420600000000, 0.0008466900000000, -0.0006339200000000 ] - [ 0.0030850500000000, 0.0007364900000000, -0.0006598100000000 ] - [ 0.0031874300000000, 0.0008966400000000, -0.0006623200000000 ] - [ 0.0030078500000000, 0.0008872400000000, -0.0007094700000000 ] - [ 0.0034760600000000, 0.0004574600000000, -0.0014639400000000 ] - [ -0.0151594000000000, -0.0056249000000000, 0.0184801800000000 ] - [ -0.0008266200000000, 0.0030570100000000, 0.0006325400000000 ] - [ -0.0001079300000000, 0.0028392900000000, 0.0010127100000000 ] - [ -0.0008860800000000, 0.0031362700000000, 0.0005252900000000 ] - [ -0.0007061400000000, 0.0033720300000000, 0.0007345700000000 ] - [ -0.0009283700000000, 0.0030891000000000, 0.0006128400000000 ] - [ -0.0000732700000000, 0.0029637400000000, 0.0013932000000000 ] - [ -0.0009227400000000, 0.0030847800000000, 0.0006500200000000 ] - [ -0.0021278900000000, 0.0022212500000000, 0.0010010900000000 ] - [ 0.0021278900000000, -0.0022212500000000, 0.0010010900000000 ] - [ 0.0009227400000000, -0.0030847800000000, 0.0006500200000000 ] - [ 0.0000732700000000, -0.0029637400000000, 0.0013932000000000 ] - [ 0.0009283700000000, -0.0030891000000000, 0.0006128400000000 ] - [ 0.0007061400000000, -0.0033720300000000, 0.0007345700000000 ] - [ 0.0008860800000000, -0.0031362700000000, 0.0005252900000000 ] - [ 0.0001079300000000, -0.0028392900000000, 0.0010127100000000 ] - [ 0.0008266200000000, -0.0030570100000000, 0.0006325400000000 ] - [ 0.0151594000000000, 0.0056249000000000, 0.0184801800000000 ] - [ -0.0018984500000000, -0.0020018300000000, -0.0045723800000000 ] - [ -0.0001075700000000, -0.0000233300000000, 0.0000058400000000 ] - [ -0.0020016200000000, 0.0018997900000000, -0.0045811000000000 ] - [ 0.0000236000000000, -0.0001075200000000, 0.0000057100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005975200000000 ] - [ -0.0000236000000000, 0.0001075200000000, 0.0000057100000000 ] - [ 0.0020016200000000, -0.0018997900000000, -0.0045811000000000 ] - [ 0.0001075700000000, 0.0000233300000000, 0.0000058400000000 ] - [ 0.0018984500000000, 0.0020018300000000, -0.0045723800000000 ] - [ 0.0028797000000000, 0.0023282200000000, 0.0028477700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001049600000000 ] - [ -0.0028797000000000, -0.0023282200000000, 0.0028477700000000 ] - [ -0.0002283800000000, -0.0000820500000000, 0.0000059100000000 ] - [ -0.0001413100000000, -0.0000485200000000, 0.0000349100000000 ] - [ 0.0003073600000000, 0.0006007400000000, 0.0003224900000000 ] - [ -0.0003073600000000, -0.0006007400000000, 0.0003224900000000 ] - [ 0.0001413100000000, 0.0000485200000000, 0.0000349100000000 ] - [ 0.0002283800000000, 0.0000820500000000, 0.0000059100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012086100000000 ] - [ -0.0000261200000000, 0.0007193000000000, 0.0003488500000000 ] - [ 0.0000261200000000, -0.0007193000000000, 0.0003488500000000 ] - [ 0.0007183000000000, 0.0000252000000000, 0.0003488200000000 ] - [ -0.0000547900000000, -0.0000487900000000, 0.0001137900000000 ] - [ -0.0000491000000000, 0.0000548800000000, 0.0001135000000000 ] - [ -0.0007183000000000, -0.0000252000000000, 0.0003488200000000 ] - [ 0.0000491000000000, -0.0000548800000000, 0.0001135000000000 ] - [ 0.0000547900000000, 0.0000487900000000, 0.0001137900000000 ] - [ 0.0023409100000000, -0.0028727700000000, 0.0028335800000000 ] - [ -0.0006012200000000, 0.0003068300000000, 0.0003196300000000 ] - [ -0.0000846000000000, 0.0002276700000000, 0.0000033900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001036000000000 ] - [ 0.0000485100000000, -0.0001401600000000, 0.0000344700000000 ] - [ -0.0000485100000000, 0.0001401600000000, 0.0000344700000000 ] - [ -0.0023409100000000, 0.0028727700000000, 0.0028335800000000 ] - [ 0.0000846000000000, -0.0002276700000000, 0.0000033900000000 ] - [ 0.0006012200000000, -0.0003068300000000, 0.0003196300000000 ]- atom: 19 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0009563400000000, -0.0000556300000000, -0.0001817100000000 ] - [ 0.0062001400000000, -0.0085620700000000, -0.0091018700000000 ] - [ -0.0003475200000000, -0.0000214100000000, -0.0000100700000000 ] - [ -0.0002902000000000, 0.0006057400000000, -0.0009198200000000 ] - [ -0.0001897900000000, -0.0003113900000000, -0.0003072900000000 ] - [ -0.0002478400000000, 0.0000474400000000, -0.0000591100000000 ] - [ 0.0000672500000000, -0.0000923200000000, -0.0000635300000000 ] - [ 0.0001910100000000, 0.0001080000000000, -0.0000924600000000 ] - [ -0.0002487400000000, 0.0002342700000000, 0.0002287000000000 ] - [ 0.0006650200000000, 0.0000551100000000, 0.0004059000000000 ] - [ -0.0000909700000000, -0.0002424100000000, 0.0000271200000000 ] - [ -0.0004133500000000, 0.0002232400000000, -0.0001438700000000 ] - [ 0.0002689300000000, 0.0000745500000000, 0.0000599200000000 ] - [ -0.0000539200000000, 0.0000355500000000, 0.0000092600000000 ] - [ -0.0001085000000000, 0.0000485700000000, 0.0000029900000000 ] - [ 0.0008385100000000, 0.0000233700000000, -0.0003283100000000 ] - [ -0.0001040200000000, 0.0000740600000000, -0.0000383200000000 ] - [ -0.0002108100000000, -0.0000613100000000, 0.0001402700000000 ] - [ -0.0785118400000000, 0.0084008200000000, 0.0078293100000000 ] - [ -0.0028667900000000, -0.0007809000000000, -0.0005177100000000 ] - [ -0.0028653500000000, -0.0009557900000000, -0.0006745600000000 ] - [ -0.0033733300000000, -0.0009725800000000, -0.0004306600000000 ] - [ -0.0028594600000000, -0.0006645500000000, -0.0007119600000000 ] - [ -0.0025670000000000, -0.0013403200000000, -0.0003963700000000 ] - [ -0.0033732200000000, -0.0007538200000000, -0.0004510900000000 ] - [ -0.0025637000000000, -0.0016338000000000, -0.0006910700000000 ] - [ -0.0028610200000000, -0.0006809400000000, -0.0007799300000000 ] - [ 0.0046114800000000, -0.0017268000000000, 0.0004927500000000 ] - [ 0.0043530800000000, 0.0024033000000000, -0.0000026700000000 ] - [ 0.0033642000000000, 0.0008324100000000, -0.0005200400000000 ] - [ 0.0030496400000000, 0.0008839700000000, -0.0006173200000000 ] - [ 0.0030932600000000, 0.0008348800000000, -0.0006122600000000 ] - [ 0.0035518000000000, 0.0008221700000000, -0.0005251000000000 ] - [ 0.0046014800000000, 0.0034741600000000, -0.0004815800000000 ] - [ 0.0072414300000000, -0.0031081400000000, -0.0015600000000000 ] - [ 0.0033481900000000, 0.0008882500000000, -0.0005142800000000 ] - [ -0.0015790800000000, 0.0026755600000000, 0.0001003200000000 ] - [ -0.0007266000000000, 0.0032561200000000, 0.0006547000000000 ] - [ -0.0007141800000000, 0.0030981200000000, 0.0006301500000000 ] - [ -0.0010519000000000, 0.0030607000000000, 0.0005265200000000 ] - [ -0.0008334100000000, 0.0030585700000000, 0.0006442300000000 ] - [ -0.0008599500000000, 0.0031417700000000, 0.0005321500000000 ] - [ -0.0013103100000000, 0.0018364300000000, 0.0020075300000000 ] - [ -0.0007031000000000, 0.0032534500000000, 0.0007221100000000 ] - [ -0.0006847500000000, 0.0033411000000000, 0.0005551700000000 ] - [ 0.0024476600000000, -0.0018309200000000, -0.0019970300000000 ] - [ 0.0021485400000000, -0.0026740800000000, 0.0020407200000000 ] - [ 0.0013044700000000, -0.0030602900000000, 0.0005269900000000 ] - [ 0.0007465000000000, -0.0033413200000000, 0.0004582200000000 ] - [ 0.0007711900000000, -0.0030970500000000, 0.0006926500000000 ] - [ 0.0010527900000000, -0.0031418200000000, 0.0005266900000000 ] - [ 0.0007465400000000, -0.0032525500000000, 0.0006738300000000 ] - [ 0.0007611600000000, -0.0032550100000000, 0.0005860300000000 ] - [ 0.0010627100000000, -0.0030582400000000, 0.0005016200000000 ] - [ -0.0031340400000000, -0.0011436300000000, -0.0005178100000000 ] - [ -0.0033731600000000, -0.0006478000000000, -0.0008526400000000 ] - [ -0.0029053200000000, -0.0009208100000000, -0.0006015000000000 ] - [ -0.0031630100000000, -0.0009190900000000, -0.0005694700000000 ] - [ -0.0031635500000000, -0.0009888300000000, -0.0005327000000000 ] - [ -0.0030392500000000, -0.0009374900000000, -0.0006002400000000 ] - [ -0.0033709300000000, -0.0005567300000000, -0.0005224600000000 ] - [ -0.0031355800000000, -0.0008388100000000, -0.0005298200000000 ] - [ -0.0029050700000000, -0.0009723400000000, -0.0006941800000000 ] - [ 0.0028738400000000, 0.0010355300000000, -0.0008677600000000 ] - [ 0.0035263400000000, 0.0007897500000000, -0.0005339200000000 ] - [ 0.0037273600000000, 0.0007007400000000, -0.0005026400000000 ] - [ 0.0028873600000000, 0.0008370300000000, -0.0007837400000000 ] - [ 0.0032517700000000, 0.0008622700000000, -0.0005547400000000 ] - [ 0.0031969400000000, 0.0008148000000000, -0.0006099200000000 ] - [ 0.0030032500000000, 0.0006217200000000, -0.0005464900000000 ] - [ 0.0032841600000000, 0.0008240200000000, -0.0005825200000000 ] - [ 0.0031795800000000, 0.0009293100000000, -0.0005589500000000 ] - [ 0.0013138200000000, 0.0016438100000000, 0.0029648300000000 ] - [ 0.0021565100000000, 0.0038022000000000, -0.0030612300000000 ] - [ -0.0005849700000000, 0.0032546100000000, 0.0006417500000000 ] - [ -0.0009462300000000, 0.0029869600000000, 0.0006087500000000 ] - [ -0.0009451600000000, 0.0031445800000000, 0.0005957700000000 ] - [ -0.0007305100000000, 0.0031578400000000, 0.0006393200000000 ] - [ -0.0010356900000000, 0.0032249900000000, 0.0006896200000000 ] - [ -0.0010442200000000, 0.0029624400000000, 0.0003907600000000 ] - [ -0.0006592700000000, 0.0031564500000000, 0.0006002700000000 ] - [ 0.0009381200000000, -0.0016516700000000, -0.0006196300000000 ] - [ 0.0011481400000000, -0.0029867200000000, 0.0006285900000000 ] - [ 0.0011278700000000, -0.0032244800000000, 0.0005854800000000 ] - [ 0.0007611000000000, -0.0032536400000000, 0.0005893000000000 ] - [ 0.0010004000000000, -0.0031575600000000, 0.0005210200000000 ] - [ 0.0008908800000000, -0.0031565800000000, 0.0006414000000000 ] - [ 0.0011309400000000, -0.0037819900000000, 0.0004653500000000 ] - [ 0.0011435600000000, -0.0031452900000000, 0.0003426000000000 ] - [ 0.0011119900000000, -0.0029619400000000, 0.0006469200000000 ] - [ 0.0268643300000000, -0.0158701000000000, 0.0195488500000000 ] - [ -0.0006595900000000, -0.0009708100000000, -0.0008771900000000 ] - [ -0.0004441500000000, -0.0000867500000000, -0.0000410800000000 ] - [ 0.0001760800000000, 0.0001416000000000, -0.0000195700000000 ] - [ 0.0000227100000000, -0.0000537500000000, 0.0000638000000000 ] - [ -0.0003268700000000, 0.0001278800000000, -0.0002474600000000 ] - [ 0.0013597800000000, -0.0004678500000000, -0.0009452400000000 ] - [ -0.0009978300000000, 0.0006360500000000, 0.0016094800000000 ] - [ -0.0003852000000000, -0.0001063900000000, 0.0000057800000000 ] - [ 0.0262062300000000, 0.0191361200000000, -0.0157684600000000 ] - [ -0.0006177700000000, -0.0008066200000000, -0.0007863400000000 ] - [ -0.0004029000000000, -0.0000636500000000, 0.0000288100000000 ] - [ 0.0007894000000000, 0.0005881500000000, 0.0003847300000000 ] - [ -0.0000721900000000, 0.0000066500000000, -0.0003431600000000 ] - [ -0.0003735400000000, 0.0000407800000000, 0.0000066100000000 ] - [ 0.0002433400000000, 0.0000018000000000, 0.0000147800000000 ] - [ 0.0000645500000000, 0.0003583600000000, -0.0001316900000000 ] - [ -0.0002875300000000, -0.0000943300000000, 0.0002186500000000 ] - [ -0.0003092700000000, -0.0013428700000000, 0.0004283500000000 ] - [ -0.0001155500000000, -0.0002921900000000, -0.0003192100000000 ] - [ -0.0004511300000000, 0.0000095500000000, 0.0001132600000000 ] - [ -0.0001535100000000, 0.0001984900000000, 0.0000201100000000 ] - [ 0.0006148400000000, 0.0001899300000000, 0.0003196000000000 ] - [ -0.0002390200000000, -0.0001006600000000, -0.0000765000000000 ] - [ 0.0000245400000000, 0.0000347900000000, -0.0000291600000000 ] - [ 0.0000913300000000, 0.0002690800000000, 0.0000111900000000 ] - [ -0.0001998900000000, -0.0000147100000000, 0.0000395800000000 ] - [ -0.0006025500000000, 0.0013095300000000, -0.0003500400000000 ] - [ 0.0006468900000000, -0.0005680900000000, 0.0011643300000000 ] - [ -0.0004426900000000, -0.0001220000000000, -0.0000640300000000 ] - [ -0.0000233800000000, 0.0000837100000000, -0.0000018600000000 ] - [ 0.0001938100000000, 0.0000239400000000, 0.0000239500000000 ] - [ -0.0001691600000000, 0.0000543500000000, -0.0000035500000000 ] - [ -0.0000136700000000, -0.0001729000000000, -0.0000930900000000 ] - [ -0.0001456300000000, 0.0001222900000000, 0.0001694300000000 ] - [ -0.0003028400000000, 0.0001807500000000, 0.0001711100000000 ]- atom: 19 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0009587800000000, 0.0000547000000000, 0.0001824100000000 ] - [ -0.0061188700000000, 0.0083005800000000, 0.0088351500000000 ] - [ 0.0003494800000000, 0.0000200100000000, 0.0000092700000000 ] - [ 0.0002922700000000, -0.0006094500000000, 0.0009266300000000 ] - [ 0.0001931600000000, 0.0003149600000000, 0.0003104100000000 ] - [ 0.0002486900000000, -0.0000477000000000, 0.0000603400000000 ] - [ -0.0000665800000000, 0.0000908300000000, 0.0000644600000000 ] - [ -0.0001889100000000, -0.0001097600000000, 0.0000926200000000 ] - [ 0.0002502600000000, -0.0002349300000000, -0.0002265600000000 ] - [ -0.0006665800000000, -0.0000570200000000, -0.0004088200000000 ] - [ 0.0000932400000000, 0.0002390800000000, -0.0000258300000000 ] - [ 0.0004155700000000, -0.0002259100000000, 0.0001446600000000 ] - [ -0.0002698900000000, -0.0000755900000000, -0.0000608900000000 ] - [ 0.0000546100000000, -0.0000380100000000, -0.0000100200000000 ] - [ 0.0001096300000000, -0.0000500400000000, -0.0000031900000000 ] - [ -0.0008448700000000, -0.0000261400000000, 0.0003310300000000 ] - [ 0.0001070800000000, -0.0000763600000000, 0.0000378100000000 ] - [ 0.0002121900000000, 0.0000606000000000, -0.0001406000000000 ] - [ 0.0729508800000000, -0.0099163400000000, -0.0086839400000000 ] - [ -0.0034188800000000, -0.0010095000000000, -0.0006387400000000 ] - [ -0.0034168200000000, -0.0008368800000000, -0.0004833900000000 ] - [ -0.0029087700000000, -0.0008196500000000, -0.0007275200000000 ] - [ -0.0034201800000000, -0.0011236800000000, -0.0004479800000000 ] - [ -0.0037205900000000, -0.0004475300000000, -0.0007610400000000 ] - [ -0.0029104600000000, -0.0010374700000000, -0.0007071400000000 ] - [ -0.0037170900000000, -0.0001618000000000, -0.0004664300000000 ] - [ -0.0034213000000000, -0.0011093400000000, -0.0003774100000000 ] - [ 0.0016410100000000, 0.0035581100000000, -0.0016482400000000 ] - [ 0.0019476200000000, -0.0005862700000000, -0.0011503700000000 ] - [ 0.0029177700000000, 0.0009599600000000, -0.0006378100000000 ] - [ 0.0032330700000000, 0.0009082000000000, -0.0005402100000000 ] - [ 0.0031896700000000, 0.0009576100000000, -0.0005459600000000 ] - [ 0.0027330700000000, 0.0009694700000000, -0.0006325900000000 ] - [ 0.0016610100000000, -0.0017150300000000, -0.0006855500000000 ] - [ -0.0009315200000000, 0.0048557600000000, 0.0004062500000000 ] - [ 0.0029347000000000, 0.0009037900000000, -0.0006434300000000 ] - [ -0.0002096300000000, 0.0036062200000000, 0.0010541700000000 ] - [ -0.0010645000000000, 0.0030275900000000, 0.0005040800000000 ] - [ -0.0010777100000000, 0.0031846300000000, 0.0005280000000000 ] - [ -0.0007397100000000, 0.0032228700000000, 0.0006321500000000 ] - [ -0.0009589900000000, 0.0032245100000000, 0.0005129100000000 ] - [ -0.0009310000000000, 0.0031424900000000, 0.0006247100000000 ] - [ -0.0004832300000000, 0.0044576700000000, -0.0008680400000000 ] - [ -0.0010910500000000, 0.0030315200000000, 0.0004344200000000 ] - [ -0.0011082200000000, 0.0029405100000000, 0.0006027300000000 ] - [ -0.0006858100000000, -0.0044522300000000, 0.0031949400000000 ] - [ -0.0003361700000000, -0.0036030900000000, -0.0008551200000000 ] - [ 0.0004875700000000, -0.0032230800000000, 0.0006306000000000 ] - [ 0.0010459200000000, -0.0029407600000000, 0.0007003600000000 ] - [ 0.0010201300000000, -0.0031837700000000, 0.0004687900000000 ] - [ 0.0007380100000000, -0.0031420700000000, 0.0006305500000000 ] - [ 0.0010453600000000, -0.0030311700000000, 0.0004834300000000 ] - [ 0.0010279900000000, -0.0030276600000000, 0.0005732000000000 ] - [ 0.0007291900000000, -0.0032240100000000, 0.0006564200000000 ] - [ -0.0031505200000000, -0.0006462000000000, -0.0006393600000000 ] - [ -0.0029116600000000, -0.0011419800000000, -0.0003013900000000 ] - [ -0.0033787000000000, -0.0008709200000000, -0.0005557000000000 ] - [ -0.0031201800000000, -0.0008724800000000, -0.0005877400000000 ] - [ -0.0031205300000000, -0.0008025700000000, -0.0006238800000000 ] - [ -0.0032456300000000, -0.0008532700000000, -0.0005567900000000 ] - [ -0.0029117000000000, -0.0012370800000000, -0.0006340800000000 ] - [ -0.0031514300000000, -0.0009511800000000, -0.0006278800000000 ] - [ -0.0033775000000000, -0.0008197500000000, -0.0004632500000000 ] - [ 0.0034103400000000, 0.0007559700000000, -0.0002903000000000 ] - [ 0.0027567900000000, 0.0010020300000000, -0.0006211000000000 ] - [ 0.0025502400000000, 0.0010922900000000, -0.0006541300000000 ] - [ 0.0033961200000000, 0.0009532400000000, -0.0003702700000000 ] - [ 0.0030308200000000, 0.0009298700000000, -0.0006024400000000 ] - [ 0.0030870100000000, 0.0009767000000000, -0.0005470900000000 ] - [ 0.0032776000000000, 0.0011743600000000, -0.0006099900000000 ] - [ 0.0029991300000000, 0.0009680700000000, -0.0005756800000000 ] - [ 0.0031028500000000, 0.0008628700000000, -0.0005987700000000 ] - [ -0.0031284200000000, 0.0046351900000000, -0.0018384500000000 ] - [ -0.0039209700000000, 0.0024932900000000, 0.0041748200000000 ] - [ -0.0012070400000000, 0.0030294300000000, 0.0005164800000000 ] - [ -0.0008442400000000, 0.0032990400000000, 0.0005474700000000 ] - [ -0.0008482700000000, 0.0031364000000000, 0.0005614000000000 ] - [ -0.0010622300000000, 0.0031252600000000, 0.0005179900000000 ] - [ -0.0007546900000000, 0.0030593700000000, 0.0004669200000000 ] - [ -0.0007507600000000, 0.0033219100000000, 0.0007646500000000 ] - [ -0.0011323300000000, 0.0031276400000000, 0.0005566200000000 ] - [ 0.0008416000000000, -0.0046428800000000, 0.0017909500000000 ] - [ 0.0006420100000000, -0.0032969600000000, 0.0005305800000000 ] - [ 0.0006623800000000, -0.0030601500000000, 0.0005703900000000 ] - [ 0.0010306100000000, -0.0030302300000000, 0.0005684700000000 ] - [ 0.0007906400000000, -0.0031269300000000, 0.0006356400000000 ] - [ 0.0009014800000000, -0.0031258000000000, 0.0005156200000000 ] - [ 0.0006591700000000, -0.0024730200000000, 0.0007132500000000 ] - [ 0.0006476700000000, -0.0031380300000000, 0.0008143200000000 ] - [ 0.0006813800000000, -0.0033199000000000, 0.0005112900000000 ] - [ -0.0272602200000000, 0.0164051900000000, -0.0201368400000000 ] - [ 0.0006644500000000, 0.0009708700000000, 0.0008717500000000 ] - [ 0.0004438800000000, 0.0000869300000000, 0.0000402200000000 ] - [ -0.0001779000000000, -0.0001415300000000, 0.0000188800000000 ] - [ -0.0000211600000000, 0.0000531300000000, -0.0000612600000000 ] - [ 0.0003261200000000, -0.0001280400000000, 0.0002507800000000 ] - [ -0.0013695100000000, 0.0004628600000000, 0.0009527400000000 ] - [ 0.0009962800000000, -0.0006358100000000, -0.0016007500000000 ] - [ 0.0003845900000000, 0.0001070400000000, -0.0000054700000000 ] - [ -0.0265925100000000, -0.0197032000000000, 0.0162957000000000 ] - [ 0.0006212400000000, 0.0008018500000000, 0.0007850200000000 ] - [ 0.0004028800000000, 0.0000642400000000, -0.0000281800000000 ] - [ -0.0007917800000000, -0.0005932400000000, -0.0003867800000000 ] - [ 0.0000734500000000, -0.0000017000000000, 0.0003398600000000 ] - [ 0.0003739900000000, -0.0000397900000000, -0.0000069600000000 ] - [ -0.0002454300000000, -0.0000020200000000, -0.0000151400000000 ] - [ -0.0000628800000000, -0.0003578600000000, 0.0001292400000000 ] - [ 0.0002867300000000, 0.0000933300000000, -0.0002197400000000 ] - [ 0.0003078000000000, 0.0013536000000000, -0.0004299500000000 ] - [ 0.0001180000000000, 0.0002997600000000, 0.0003220400000000 ] - [ 0.0004509700000000, -0.0000070600000000, -0.0001129500000000 ] - [ 0.0001531300000000, -0.0001986200000000, -0.0000202300000000 ] - [ -0.0006152400000000, -0.0001917800000000, -0.0003240800000000 ] - [ 0.0002380700000000, 0.0001002500000000, 0.0000758400000000 ] - [ -0.0000262900000000, -0.0000350200000000, 0.0000288000000000 ] - [ -0.0000883500000000, -0.0002714500000000, -0.0000128500000000 ] - [ 0.0001996900000000, 0.0000149600000000, -0.0000391000000000 ] - [ 0.0006023000000000, -0.0013139300000000, 0.0003479600000000 ] - [ -0.0006371400000000, 0.0005607400000000, -0.0011682600000000 ] - [ 0.0004428300000000, 0.0001207400000000, 0.0000634400000000 ] - [ 0.0000229600000000, -0.0000838900000000, 0.0000018600000000 ] - [ -0.0001939900000000, -0.0000233400000000, -0.0000243600000000 ] - [ 0.0001685900000000, -0.0000545300000000, 0.0000039700000000 ] - [ 0.0000122300000000, 0.0001736700000000, 0.0000930300000000 ] - [ 0.0001573200000000, -0.0001287900000000, -0.0001719100000000 ] - [ 0.0003033000000000, -0.0001806000000000, -0.0001705500000000 ]- atom: 19 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0003654400000000, 0.0009857100000000, -0.0008200600000000 ] - [ -0.0091447900000000, 0.0180936000000000, 0.0142397400000000 ] - [ 0.0001130100000000, 0.0001171400000000, -0.0000083000000000 ] - [ 0.0005622400000000, -0.0008130200000000, 0.0012355400000000 ] - [ -0.0009262200000000, -0.0005978500000000, -0.0007864100000000 ] - [ -0.0000251500000000, 0.0000152500000000, 0.0000383700000000 ] - [ -0.0000719000000000, -0.0002893000000000, 0.0000318100000000 ] - [ -0.0000738700000000, -0.0003558700000000, -0.0000644700000000 ] - [ 0.0000939000000000, -0.0002468400000000, -0.0001911200000000 ] - [ -0.0000823600000000, 0.0001193700000000, -0.0001632300000000 ] - [ 0.0001912700000000, 0.0006710400000000, 0.0003926800000000 ] - [ 0.0002087400000000, 0.0001082900000000, -0.0000392300000000 ] - [ 0.0000850300000000, -0.0004415100000000, 0.0001616700000000 ] - [ -0.0000977300000000, -0.0001919100000000, -0.0000988700000000 ] - [ -0.0000123900000000, -0.0001522100000000, 0.0000502900000000 ] - [ -0.0011928000000000, -0.0002299500000000, 0.0004345800000000 ] - [ 0.0001477700000000, -0.0001335700000000, -0.0000060500000000 ] - [ 0.0000121600000000, -0.0000057300000000, 0.0000050800000000 ] - [ 0.0062388700000000, -0.0693443100000000, 0.0159649400000000 ] - [ -0.0032007400000000, -0.0010944700000000, -0.0004097400000000 ] - [ -0.0030262000000000, -0.0010945400000000, -0.0004230900000000 ] - [ -0.0029967600000000, -0.0005365900000000, -0.0005330200000000 ] - [ -0.0029248800000000, -0.0006652800000000, -0.0006915100000000 ] - [ -0.0038770900000000, -0.0003437200000000, -0.0007685100000000 ] - [ -0.0032182000000000, -0.0005352500000000, -0.0006699800000000 ] - [ -0.0035857200000000, -0.0003455100000000, -0.0004644300000000 ] - [ -0.0029107900000000, -0.0006657300000000, -0.0007857500000000 ] - [ 0.0004758100000000, 0.0038964400000000, -0.0016563200000000 ] - [ 0.0046478200000000, 0.0021286600000000, -0.0000813000000000 ] - [ 0.0030768200000000, 0.0008440200000000, -0.0006113600000000 ] - [ 0.0031284900000000, 0.0011384700000000, -0.0004976800000000 ] - [ 0.0030780700000000, 0.0011551200000000, -0.0004966100000000 ] - [ 0.0030651600000000, 0.0013197300000000, -0.0004931000000000 ] - [ 0.0057171900000000, 0.0025983500000000, -0.0003683900000000 ] - [ -0.0008231100000000, 0.0038965300000000, 0.0002373900000000 ] - [ 0.0031325000000000, 0.0008058600000000, -0.0006166200000000 ] - [ -0.0003000500000000, 0.0043936600000000, 0.0020425400000000 ] - [ -0.0008547000000000, 0.0030064900000000, 0.0006201400000000 ] - [ -0.0010800200000000, 0.0030151300000000, 0.0006985100000000 ] - [ -0.0008075200000000, 0.0035489100000000, 0.0005392000000000 ] - [ -0.0008923400000000, 0.0033082800000000, 0.0005304900000000 ] - [ -0.0008099800000000, 0.0032977000000000, 0.0004700400000000 ] - [ 0.0001175200000000, 0.0046922700000000, -0.0023494300000000 ] - [ -0.0011284000000000, 0.0029901700000000, 0.0004711200000000 ] - [ -0.0009570500000000, 0.0029911400000000, 0.0006308700000000 ] - [ -0.0001081900000000, -0.0035527700000000, 0.0015619600000000 ] - [ 0.0003046500000000, -0.0038216000000000, -0.0000804700000000 ] - [ 0.0008069200000000, -0.0032965600000000, 0.0005373500000000 ] - [ 0.0009574300000000, -0.0029296700000000, 0.0007739000000000 ] - [ 0.0010807900000000, -0.0029578600000000, 0.0006444800000000 ] - [ 0.0008100200000000, -0.0031045900000000, 0.0006448600000000 ] - [ 0.0011277800000000, -0.0029456700000000, 0.0005696400000000 ] - [ 0.0008551400000000, -0.0029714600000000, 0.0006875000000000 ] - [ 0.0008924200000000, -0.0030775400000000, 0.0005330500000000 ] - [ -0.0030835400000000, -0.0008965400000000, -0.0004894100000000 ] - [ -0.0027969000000000, -0.0011762900000000, -0.0008088100000000 ] - [ -0.0032176000000000, -0.0009205900000000, -0.0005256900000000 ] - [ -0.0032346900000000, -0.0006010900000000, -0.0007155900000000 ] - [ -0.0031640900000000, -0.0006014600000000, -0.0006168900000000 ] - [ -0.0031821900000000, -0.0007819700000000, -0.0006040900000000 ] - [ -0.0028944900000000, -0.0011734400000000, -0.0005807100000000 ] - [ -0.0033877800000000, -0.0008954800000000, -0.0005400500000000 ] - [ -0.0031654800000000, -0.0009205400000000, -0.0005763900000000 ] - [ 0.0032791600000000, 0.0004001800000000, -0.0009424900000000 ] - [ 0.0030348500000000, 0.0005993700000000, -0.0007448500000000 ] - [ 0.0029454800000000, 0.0007106300000000, -0.0005656100000000 ] - [ 0.0030829000000000, 0.0016064800000000, -0.0005939900000000 ] - [ 0.0031068700000000, 0.0009906700000000, -0.0005424800000000 ] - [ 0.0030588000000000, 0.0010555100000000, -0.0005835100000000 ] - [ 0.0028630900000000, 0.0016996300000000, -0.0005038900000000 ] - [ 0.0030676800000000, 0.0009721500000000, -0.0006029700000000 ] - [ 0.0031739400000000, 0.0009519900000000, -0.0005688000000000 ] - [ -0.0015583700000000, 0.0031871800000000, 0.0004224000000000 ] - [ 0.0004203900000000, 0.0033671200000000, -0.0003706700000000 ] - [ -0.0010290200000000, 0.0030044000000000, 0.0005833700000000 ] - [ -0.0009057100000000, 0.0033945300000000, 0.0003830200000000 ] - [ -0.0007050800000000, 0.0033879500000000, 0.0006914500000000 ] - [ -0.0009237500000000, 0.0032440600000000, 0.0005162100000000 ] - [ -0.0006819400000000, 0.0033730400000000, 0.0006866000000000 ] - [ -0.0009634600000000, 0.0033567600000000, 0.0006048000000000 ] - [ -0.0009000700000000, 0.0031363700000000, 0.0006329900000000 ] - [ 0.0015708000000000, -0.0009050200000000, -0.0025325200000000 ] - [ 0.0009045400000000, -0.0031911400000000, 0.0006023300000000 ] - [ 0.0006819700000000, -0.0032823100000000, 0.0004516100000000 ] - [ 0.0010287600000000, -0.0028289300000000, 0.0006788000000000 ] - [ 0.0009230200000000, -0.0029751900000000, 0.0006336200000000 ] - [ 0.0009002700000000, -0.0029023800000000, 0.0005787800000000 ] - [ -0.0004341200000000, -0.0001089700000000, 0.0036605200000000 ] - [ 0.0007050000000000, -0.0031890100000000, 0.0006279400000000 ] - [ 0.0009633600000000, -0.0032854000000000, 0.0007244100000000 ] - [ -0.0152499000000000, 0.0120683500000000, -0.0140374900000000 ] - [ -0.0003095900000000, -0.0001774800000000, -0.0004651100000000 ] - [ 0.0001741900000000, 0.0002834200000000, -0.0001139700000000 ] - [ 0.0000209400000000, -0.0005247400000000, -0.0000341400000000 ] - [ 0.0000294500000000, -0.0003603200000000, -0.0001091500000000 ] - [ 0.0003221100000000, -0.0003353000000000, 0.0002839900000000 ] - [ 0.0000381500000000, -0.0013796300000000, -0.0003408400000000 ] - [ 0.0007260700000000, -0.0002932000000000, -0.0011629400000000 ] - [ -0.0001579300000000, 0.0000698200000000, -0.0001117800000000 ] - [ 0.0187686800000000, 0.0215198800000000, -0.0139207700000000 ] - [ 0.0005563900000000, 0.0005770300000000, 0.0001937000000000 ] - [ 0.0000134200000000, 0.0002533600000000, -0.0000124500000000 ] - [ -0.0008259300000000, -0.0009690700000000, -0.0009491500000000 ] - [ -0.0000007500000000, 0.0000819300000000, -0.0001869300000000 ] - [ 0.0003497900000000, 0.0000262900000000, -0.0001132200000000 ] - [ -0.0001261100000000, -0.0004271900000000, 0.0000178400000000 ] - [ -0.0000004900000000, -0.0004243900000000, 0.0000010800000000 ] - [ -0.0001372500000000, -0.0002707400000000, 0.0002135400000000 ] - [ -0.0000673200000000, 0.0008605700000000, -0.0001556700000000 ] - [ 0.0000764100000000, 0.0009589700000000, 0.0006916000000000 ] - [ 0.0001405800000000, 0.0003298400000000, 0.0000686100000000 ] - [ 0.0001416100000000, -0.0001330000000000, -0.0001085600000000 ] - [ -0.0005631000000000, -0.0002228200000000, 0.0000909000000000 ] - [ 0.0000380900000000, -0.0000296200000000, 0.0000131800000000 ] - [ -0.0000770600000000, -0.0002954400000000, 0.0002013900000000 ] - [ 0.0003488100000000, -0.0006157200000000, -0.0002104200000000 ] - [ 0.0000678400000000, -0.0001592800000000, 0.0000088400000000 ] - [ 0.0002362400000000, -0.0001251800000000, 0.0002487000000000 ] - [ -0.0006699700000000, 0.0010748900000000, 0.0012224200000000 ] - [ 0.0000570700000000, 0.0002051500000000, 0.0000414700000000 ] - [ 0.0001505600000000, -0.0003287100000000, 0.0001935600000000 ] - [ -0.0002980700000000, -0.0005345500000000, -0.0001089100000000 ] - [ 0.0000295700000000, -0.0001725300000000, -0.0000004800000000 ] - [ -0.0001668200000000, 0.0000278100000000, -0.0001282900000000 ] - [ 0.0013522300000000, -0.0007116600000000, -0.0002559900000000 ] - [ 0.0000963900000000, -0.0000454700000000, -0.0000067000000000 ]- atom: 19 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0003646200000000, -0.0009912400000000, 0.0008237200000000 ] - [ 0.0095686700000000, -0.0184217100000000, -0.0147633300000000 ] - [ -0.0001108400000000, -0.0001189000000000, 0.0000082000000000 ] - [ -0.0005578100000000, 0.0008076400000000, -0.0012275000000000 ] - [ 0.0009224300000000, 0.0005993100000000, 0.0007796200000000 ] - [ 0.0000265200000000, -0.0000151400000000, -0.0000366800000000 ] - [ 0.0000729500000000, 0.0002875300000000, -0.0000312600000000 ] - [ 0.0000749000000000, 0.0003537300000000, 0.0000647000000000 ] - [ -0.0000923000000000, 0.0002452200000000, 0.0001919900000000 ] - [ 0.0000887600000000, -0.0001172400000000, 0.0001658800000000 ] - [ -0.0001935800000000, -0.0006732700000000, -0.0003959000000000 ] - [ -0.0002081400000000, -0.0001070500000000, 0.0000384700000000 ] - [ -0.0000825200000000, 0.0004391800000000, -0.0001604100000000 ] - [ 0.0000983800000000, 0.0001899800000000, 0.0000982500000000 ] - [ 0.0000140900000000, 0.0001510200000000, -0.0000505600000000 ] - [ 0.0012000300000000, 0.0002286200000000, -0.0004361100000000 ] - [ -0.0001464700000000, 0.0001322500000000, 0.0000063000000000 ] - [ -0.0000108000000000, 0.0000038900000000, -0.0000047600000000 ] - [ -0.0120809900000000, 0.0680295100000000, -0.0167302100000000 ] - [ -0.0030823800000000, -0.0006965200000000, -0.0007477000000000 ] - [ -0.0032556300000000, -0.0006961600000000, -0.0007329800000000 ] - [ -0.0032829700000000, -0.0012556700000000, -0.0006228700000000 ] - [ -0.0033532700000000, -0.0011234800000000, -0.0004672400000000 ] - [ -0.0024089800000000, -0.0014443200000000, -0.0003870700000000 ] - [ -0.0030658000000000, -0.0012533500000000, -0.0004854900000000 ] - [ -0.0026961100000000, -0.0014457700000000, -0.0006906300000000 ] - [ -0.0033693900000000, -0.0011239100000000, -0.0003704200000000 ] - [ 0.0057636400000000, -0.0020743900000000, 0.0005032400000000 ] - [ 0.0016572800000000, -0.0003161600000000, -0.0010742300000000 ] - [ 0.0032039100000000, 0.0009474900000000, -0.0005455500000000 ] - [ 0.0031526400000000, 0.0006539000000000, -0.0006589900000000 ] - [ 0.0032053800000000, 0.0006358900000000, -0.0006585900000000 ] - [ 0.0032168100000000, 0.0004718400000000, -0.0006622100000000 ] - [ 0.0005291200000000, -0.0008248200000000, -0.0007973500000000 ] - [ 0.0071416000000000, -0.0021358000000000, -0.0013862300000000 ] - [ 0.0031482400000000, 0.0009862300000000, -0.0005400700000000 ] - [ -0.0014844500000000, 0.0019090900000000, -0.0008602200000000 ] - [ -0.0009348600000000, 0.0032750600000000, 0.0005391000000000 ] - [ -0.0007114700000000, 0.0032637900000000, 0.0004604000000000 ] - [ -0.0009844900000000, 0.0027333600000000, 0.0006163400000000 ] - [ -0.0008990600000000, 0.0029737600000000, 0.0006258700000000 ] - [ -0.0009812000000000, 0.0029848000000000, 0.0006861900000000 ] - [ -0.0019042500000000, 0.0015629400000000, 0.0035434100000000 ] - [ -0.0006624300000000, 0.0032936300000000, 0.0006837700000000 ] - [ -0.0008340900000000, 0.0032908000000000, 0.0005258700000000 ] - [ 0.0019138900000000, -0.0027292800000000, -0.0004268000000000 ] - [ 0.0014887200000000, -0.0024549700000000, 0.0012374700000000 ] - [ 0.0009842900000000, -0.0029843400000000, 0.0006199500000000 ] - [ 0.0008344000000000, -0.0033524800000000, 0.0003832100000000 ] - [ 0.0007118900000000, -0.0033219600000000, 0.0005133800000000 ] - [ 0.0009812800000000, -0.0031779100000000, 0.0005110500000000 ] - [ 0.0006616600000000, -0.0033379100000000, 0.0005857400000000 ] - [ 0.0009350400000000, -0.0033102200000000, 0.0004672200000000 ] - [ 0.0008991500000000, -0.0032027300000000, 0.0006237500000000 ] - [ -0.0031993500000000, -0.0008960200000000, -0.0006659900000000 ] - [ -0.0034798800000000, -0.0006182200000000, -0.0003438600000000 ] - [ -0.0030638800000000, -0.0008710400000000, -0.0006298300000000 ] - [ -0.0030480300000000, -0.0011892800000000, -0.0004409600000000 ] - [ -0.0031170400000000, -0.0011894200000000, -0.0005395400000000 ] - [ -0.0031002200000000, -0.0010087800000000, -0.0005514700000000 ] - [ -0.0033896700000000, -0.0006146700000000, -0.0005734900000000 ] - [ -0.0028947100000000, -0.0008946400000000, -0.0006144000000000 ] - [ -0.0031163300000000, -0.0008708900000000, -0.0005799300000000 ] - [ 0.0030035200000000, 0.0013897300000000, -0.0002128500000000 ] - [ 0.0032459200000000, 0.0011938200000000, -0.0004100900000000 ] - [ 0.0033380800000000, 0.0010798000000000, -0.0005913300000000 ] - [ 0.0031984200000000, 0.0001900200000000, -0.0005586900000000 ] - [ 0.0031743700000000, 0.0008013200000000, -0.0006136900000000 ] - [ 0.0032229000000000, 0.0007353400000000, -0.0005726600000000 ] - [ 0.0034200900000000, 0.0000878300000000, -0.0006497400000000 ] - [ 0.0032155200000000, 0.0008191700000000, -0.0005524700000000 ] - [ 0.0031067500000000, 0.0008406200000000, -0.0005879700000000 ] - [ -0.0002215100000000, 0.0030905800000000, 0.0007432300000000 ] - [ -0.0022333000000000, 0.0028960000000000, 0.0015503500000000 ] - [ -0.0007625800000000, 0.0032771500000000, 0.0005730500000000 ] - [ -0.0008853800000000, 0.0028889600000000, 0.0007718200000000 ] - [ -0.0010866300000000, 0.0028923800000000, 0.0004672000000000 ] - [ -0.0008686200000000, 0.0030366900000000, 0.0006399500000000 ] - [ -0.0011085600000000, 0.0029093500000000, 0.0004695700000000 ] - [ -0.0008275500000000, 0.0029286500000000, 0.0005498000000000 ] - [ -0.0008906300000000, 0.0031475400000000, 0.0005220100000000 ] - [ 0.0002341500000000, -0.0053475300000000, 0.0036497900000000 ] - [ 0.0008845800000000, -0.0030910000000000, 0.0005549200000000 ] - [ 0.0011081000000000, -0.0030023500000000, 0.0007019400000000 ] - [ 0.0007615700000000, -0.0034534200000000, 0.0004776800000000 ] - [ 0.0008674700000000, -0.0033076800000000, 0.0005218700000000 ] - [ 0.0008911500000000, -0.0033779300000000, 0.0005774500000000 ] - [ 0.0022196100000000, -0.0061873700000000, -0.0025360000000000 ] - [ 0.0010863400000000, -0.0030918900000000, 0.0005289100000000 ] - [ 0.0008280100000000, -0.0029950200000000, 0.0004303300000000 ] - [ 0.0149016200000000, -0.0119746900000000, 0.0137136700000000 ] - [ 0.0003149700000000, 0.0001812900000000, 0.0004698900000000 ] - [ -0.0001744200000000, -0.0002817100000000, 0.0001142400000000 ] - [ -0.0000215900000000, 0.0005242900000000, 0.0000330300000000 ] - [ -0.0000295800000000, 0.0003594100000000, 0.0001100200000000 ] - [ -0.0003218900000000, 0.0003357600000000, -0.0002815500000000 ] - [ -0.0000417200000000, 0.0013800900000000, 0.0003453800000000 ] - [ -0.0007227100000000, 0.0002888100000000, 0.0011637100000000 ] - [ 0.0001579700000000, -0.0000696500000000, 0.0001123100000000 ] - [ -0.0192800100000000, -0.0217699200000000, 0.0143474700000000 ] - [ -0.0005579700000000, -0.0005722400000000, -0.0001891100000000 ] - [ -0.0000135800000000, -0.0002535100000000, 0.0000116500000000 ] - [ 0.0008199600000000, 0.0009644300000000, 0.0009424900000000 ] - [ 0.0000063700000000, -0.0000774000000000, 0.0001880900000000 ] - [ -0.0003494400000000, -0.0000244300000000, 0.0001114400000000 ] - [ 0.0001255800000000, 0.0004268500000000, -0.0000170700000000 ] - [ 0.0000001700000000, 0.0004238100000000, -0.0000014500000000 ] - [ 0.0001372100000000, 0.0002698100000000, -0.0002142100000000 ] - [ 0.0000630700000000, -0.0008692400000000, 0.0001600000000000 ] - [ -0.0000777300000000, -0.0009588700000000, -0.0006964800000000 ] - [ -0.0001412000000000, -0.0003301400000000, -0.0000688000000000 ] - [ -0.0001427500000000, 0.0001354200000000, 0.0001077000000000 ] - [ 0.0005568000000000, 0.0002219900000000, -0.0000883500000000 ] - [ -0.0000402000000000, 0.0000292700000000, -0.0000143900000000 ] - [ 0.0000769500000000, 0.0002952100000000, -0.0002016700000000 ] - [ -0.0003505300000000, 0.0006153900000000, 0.0002108100000000 ] - [ -0.0000685600000000, 0.0001592300000000, -0.0000088800000000 ] - [ -0.0002395800000000, 0.0001336800000000, -0.0002491700000000 ] - [ 0.0006596300000000, -0.0010609400000000, -0.0012254500000000 ] - [ -0.0000563000000000, -0.0002050100000000, -0.0000424200000000 ] - [ -0.0001492700000000, 0.0003285800000000, -0.0001931000000000 ] - [ 0.0002946200000000, 0.0005325200000000, 0.0001076500000000 ] - [ -0.0000305500000000, 0.0001726000000000, 0.0000004400000000 ] - [ 0.0001652800000000, -0.0000281800000000, 0.0001285400000000 ] - [ -0.0013533100000000, 0.0007114400000000, 0.0002504800000000 ] - [ -0.0000960700000000, 0.0000445000000000, 0.0000064900000000 ]- atom: 19 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0002199000000000, -0.0006455800000000, 0.0008108800000000 ] - [ -0.0094277600000000, 0.0138117500000000, 0.0178923700000000 ] - [ 0.0000735800000000, -0.0000499700000000, -0.0000539400000000 ] - [ 0.0000979800000000, -0.0001499100000000, 0.0004167300000000 ] - [ 0.0003088000000000, 0.0006212000000000, 0.0004376500000000 ] - [ 0.0001389700000000, -0.0000283800000000, 0.0000382500000000 ] - [ -0.0000393000000000, 0.0000500900000000, 0.0000752600000000 ] - [ -0.0000764300000000, 0.0000191800000000, 0.0000570600000000 ] - [ -0.0000006500000000, 0.0000732200000000, 0.0001522500000000 ] - [ -0.0006630800000000, -0.0006404200000000, -0.0007829600000000 ] - [ -0.0000528100000000, -0.0002198300000000, -0.0001441900000000 ] - [ 0.0001805200000000, 0.0001156700000000, -0.0000736700000000 ] - [ -0.0001717500000000, 0.0000703800000000, -0.0000786700000000 ] - [ 0.0000697200000000, 0.0000773600000000, -0.0000397500000000 ] - [ 0.0000236500000000, 0.0000179000000000, -0.0000524400000000 ] - [ 0.0012351500000000, 0.0005737300000000, -0.0008848400000000 ] - [ -0.0000497400000000, -0.0001159300000000, -0.0000877500000000 ] - [ 0.0000946100000000, 0.0000282900000000, -0.0001333300000000 ] - [ 0.0053558000000000, 0.0156525700000000, -0.0694498300000000 ] - [ -0.0032397900000000, -0.0007408200000000, -0.0006568500000000 ] - [ -0.0030830200000000, -0.0007262000000000, -0.0006570900000000 ] - [ -0.0030153400000000, -0.0009885500000000, -0.0006715500000000 ] - [ -0.0033442900000000, -0.0011021100000000, -0.0005814200000000 ] - [ -0.0032547300000000, -0.0007813100000000, -0.0007400700000000 ] - [ -0.0029972100000000, -0.0008486700000000, -0.0006712300000000 ] - [ -0.0029613600000000, -0.0010841700000000, -0.0007417900000000 ] - [ -0.0032751600000000, -0.0010067500000000, -0.0005814100000000 ] - [ 0.0020811900000000, 0.0019637500000000, -0.0007360900000000 ] - [ 0.0025691800000000, 0.0003974900000000, -0.0013884700000000 ] - [ 0.0030851200000000, 0.0009288500000000, -0.0006408600000000 ] - [ 0.0031816800000000, 0.0008149700000000, -0.0005939200000000 ] - [ 0.0031770200000000, 0.0008129800000000, -0.0006492800000000 ] - [ 0.0030891100000000, 0.0008097500000000, -0.0006443800000000 ] - [ 0.0030471700000000, 0.0006853100000000, -0.0009007200000000 ] - [ 0.0041095300000000, 0.0000983500000000, -0.0007957400000000 ] - [ 0.0030786100000000, 0.0009337100000000, -0.0006017400000000 ] - [ -0.0002312600000000, 0.0046068000000000, 0.0018968900000000 ] - [ -0.0010045800000000, 0.0031500900000000, 0.0004626500000000 ] - [ -0.0009609000000000, 0.0032567400000000, 0.0004482500000000 ] - [ -0.0008540100000000, 0.0030917100000000, 0.0007064400000000 ] - [ -0.0008497500000000, 0.0030672500000000, 0.0006452200000000 ] - [ -0.0009624000000000, 0.0030916400000000, 0.0006312400000000 ] - [ -0.0018868200000000, 0.0005267800000000, 0.0038938200000000 ] - [ -0.0008867800000000, 0.0032390100000000, 0.0006401800000000 ] - [ -0.0010923500000000, 0.0030226300000000, 0.0006438800000000 ] - [ -0.0020737600000000, -0.0045801300000000, 0.0038941300000000 ] - [ 0.0023605300000000, -0.0026627200000000, 0.0018991300000000 ] - [ 0.0008559200000000, -0.0030920900000000, 0.0007060300000000 ] - [ 0.0009469500000000, -0.0031211700000000, 0.0006431000000000 ] - [ 0.0010162500000000, -0.0031936800000000, 0.0004503700000000 ] - [ 0.0007872800000000, -0.0030966500000000, 0.0006311200000000 ] - [ 0.0007867500000000, -0.0032885500000000, 0.0006411100000000 ] - [ 0.0009354800000000, -0.0032205500000000, 0.0004597100000000 ] - [ 0.0008481400000000, -0.0032099000000000, 0.0006458500000000 ] - [ -0.0030945100000000, -0.0008556300000000, -0.0003039700000000 ] - [ -0.0030858800000000, -0.0008995600000000, -0.0001895800000000 ] - [ -0.0032597700000000, -0.0008933700000000, -0.0005552000000000 ] - [ -0.0030988800000000, -0.0009345600000000, -0.0005469900000000 ] - [ -0.0031349400000000, -0.0010323500000000, -0.0005480000000000 ] - [ -0.0031659200000000, -0.0009208200000000, -0.0005371100000000 ] - [ -0.0034219800000000, -0.0011272900000000, -0.0001884100000000 ] - [ -0.0030828100000000, -0.0008042100000000, -0.0003038200000000 ] - [ -0.0031661100000000, -0.0008433100000000, -0.0005557700000000 ] - [ 0.0034340800000000, 0.0012590400000000, -0.0000629400000000 ] - [ 0.0031002900000000, 0.0010629800000000, -0.0004251800000000 ] - [ 0.0030637500000000, 0.0008835600000000, 0.0004933800000000 ] - [ 0.0033508800000000, 0.0009158200000000, -0.0000822300000000 ] - [ 0.0031205700000000, 0.0008596000000000, -0.0005711600000000 ] - [ 0.0031752800000000, 0.0009003700000000, -0.0005387800000000 ] - [ 0.0031129700000000, 0.0008180400000000, 0.0004951600000000 ] - [ 0.0031473800000000, 0.0009192700000000, -0.0005420900000000 ] - [ 0.0031238600000000, 0.0008857400000000, -0.0005254200000000 ] - [ 0.0021782500000000, 0.0019353100000000, 0.0025539000000000 ] - [ -0.0039754400000000, 0.0030226500000000, 0.0030956800000000 ] - [ -0.0009953400000000, 0.0031533400000000, 0.0006109700000000 ] - [ -0.0009177200000000, 0.0031935200000000, 0.0006007600000000 ] - [ -0.0009445800000000, 0.0029080200000000, 0.0005688800000000 ] - [ -0.0009516900000000, 0.0030845100000000, 0.0005834900000000 ] - [ -0.0007703700000000, 0.0031507700000000, 0.0004866600000000 ] - [ -0.0010405100000000, 0.0032126900000000, 0.0004400000000000 ] - [ -0.0008959600000000, 0.0032072600000000, 0.0005415000000000 ] - [ 0.0007385000000000, -0.0055271400000000, 0.0025526900000000 ] - [ 0.0007004100000000, -0.0031738700000000, 0.0006023900000000 ] - [ 0.0010026500000000, -0.0032557000000000, 0.0004850700000000 ] - [ 0.0008986400000000, -0.0032072300000000, 0.0006102700000000 ] - [ 0.0008340200000000, -0.0032047300000000, 0.0005826500000000 ] - [ 0.0009502600000000, -0.0031641700000000, 0.0005421900000000 ] - [ -0.0000694500000000, 0.0004596200000000, 0.0030982200000000 ] - [ 0.0010068100000000, -0.0031614800000000, 0.0005686300000000 ] - [ 0.0009215000000000, -0.0029569700000000, 0.0004409600000000 ] - [ 0.0192311700000000, -0.0143371600000000, 0.0219217400000000 ] - [ 0.0006706400000000, 0.0002751000000000, 0.0004536500000000 ] - [ -0.0000124400000000, -0.0001071500000000, 0.0000904800000000 ] - [ -0.0000539400000000, 0.0001410900000000, -0.0000237900000000 ] - [ -0.0000272600000000, 0.0002222200000000, 0.0000778900000000 ] - [ 0.0000694500000000, 0.0000266000000000, 0.0001572800000000 ] - [ -0.0008226400000000, -0.0001897900000000, 0.0009898300000000 ] - [ -0.0001748700000000, 0.0000954200000000, 0.0006325000000000 ] - [ 0.0000558700000000, -0.0000738000000000, 0.0001486500000000 ] - [ -0.0150411600000000, -0.0137923100000000, 0.0122026400000000 ] - [ -0.0002747100000000, -0.0003113600000000, -0.0001651400000000 ] - [ 0.0001987600000000, -0.0001813700000000, 0.0000540000000000 ] - [ -0.0001398500000000, -0.0003736600000000, -0.0000490700000000 ] - [ 0.0002986700000000, 0.0002929800000000, 0.0005859000000000 ] - [ 0.0001548600000000, -0.0000654800000000, 0.0001717900000000 ] - [ -0.0001348500000000, 0.0001998100000000, 0.0000373000000000 ] - [ -0.0000088600000000, 0.0001857400000000, 0.0001305400000000 ] - [ 0.0000663800000000, 0.0000623300000000, -0.0000484800000000 ] - [ 0.0008931200000000, 0.0015576600000000, -0.0012521700000000 ] - [ -0.0009886000000000, -0.0010387500000000, -0.0009877300000000 ] - [ 0.0000772700000000, -0.0001970700000000, -0.0000574400000000 ] - [ -0.0001220400000000, -0.0000842400000000, -0.0001332900000000 ] - [ -0.0005756500000000, -0.0002093300000000, -0.0003496200000000 ] - [ 0.0001192900000000, 0.0001223200000000, -0.0000100500000000 ] - [ 0.0000380600000000, 0.0001256900000000, -0.0001505800000000 ] - [ 0.0001282900000000, 0.0002582500000000, -0.0000837200000000 ] - [ 0.0000133800000000, 0.0000255100000000, -0.0000905600000000 ] - [ -0.0008277800000000, 0.0012646900000000, -0.0009667000000000 ] - [ 0.0001135300000000, -0.0002371300000000, -0.0013878100000000 ] - [ 0.0001874100000000, -0.0000917600000000, -0.0000134800000000 ] - [ -0.0000157900000000, 0.0000533700000000, -0.0000621800000000 ] - [ -0.0001382600000000, 0.0002004500000000, -0.0000566700000000 ] - [ 0.0000477300000000, 0.0000394500000000, -0.0000597500000000 ] - [ 0.0001295800000000, 0.0000775700000000, -0.0001537600000000 ] - [ 0.0012075600000000, -0.0008251800000000, -0.0007793900000000 ] - [ 0.0000097200000000, 0.0000044700000000, -0.0000352000000000 ]- atom: 19 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0002185400000000, 0.0006477400000000, -0.0008167400000000 ] - [ 0.0098581800000000, -0.0143361800000000, -0.0182261900000000 ] - [ -0.0000711300000000, 0.0000485700000000, 0.0000539500000000 ] - [ -0.0000989600000000, 0.0001520500000000, -0.0004236300000000 ] - [ -0.0003077800000000, -0.0006241100000000, -0.0004373800000000 ] - [ -0.0001380000000000, 0.0000284000000000, -0.0000381000000000 ] - [ 0.0000421100000000, -0.0000514400000000, -0.0000761400000000 ] - [ 0.0000774800000000, -0.0000209300000000, -0.0000574100000000 ] - [ 0.0000015200000000, -0.0000752900000000, -0.0001534200000000 ] - [ 0.0006588500000000, 0.0006343400000000, 0.0007796300000000 ] - [ 0.0000564200000000, 0.0002185600000000, 0.0001454600000000 ] - [ -0.0001773400000000, -0.0001188800000000, 0.0000752800000000 ] - [ 0.0001748100000000, -0.0000718600000000, 0.0000798200000000 ] - [ -0.0000694700000000, -0.0000792100000000, 0.0000386500000000 ] - [ -0.0000227000000000, -0.0000194400000000, 0.0000526500000000 ] - [ -0.0012253200000000, -0.0005724600000000, 0.0008818300000000 ] - [ 0.0000506400000000, 0.0001134300000000, 0.0000882300000000 ] - [ -0.0000925700000000, -0.0000295400000000, 0.0001328300000000 ] - [ -0.0111735900000000, -0.0170451300000000, 0.0687754700000000 ] - [ -0.0030672000000000, -0.0010508200000000, -0.0005033300000000 ] - [ -0.0032223200000000, -0.0010638100000000, -0.0005039800000000 ] - [ -0.0032938600000000, -0.0008020900000000, -0.0004872400000000 ] - [ -0.0029625800000000, -0.0006847100000000, -0.0005803700000000 ] - [ -0.0030478100000000, -0.0010086400000000, -0.0004186300000000 ] - [ -0.0033056400000000, -0.0009397100000000, -0.0004904800000000 ] - [ -0.0033422600000000, -0.0007032400000000, -0.0004197100000000 ] - [ -0.0030301400000000, -0.0007817600000000, -0.0005813100000000 ] - [ 0.0042385500000000, -0.0001947400000000, -0.0004272300000000 ] - [ 0.0037359500000000, 0.0013879600000000, 0.0002314700000000 ] - [ 0.0032218700000000, 0.0008617900000000, -0.0005212900000000 ] - [ 0.0031239300000000, 0.0009758800000000, -0.0005673600000000 ] - [ 0.0031247900000000, 0.0009785400000000, -0.0005112100000000 ] - [ 0.0032132500000000, 0.0009803800000000, -0.0005168700000000 ] - [ 0.0032692000000000, 0.0011147900000000, -0.0002550400000000 ] - [ 0.0021607800000000, 0.0017211100000000, -0.0003739600000000 ] - [ 0.0032268100000000, 0.0008561600000000, -0.0005594100000000 ] - [ -0.0015514800000000, 0.0017231000000000, -0.0007150900000000 ] - [ -0.0007830300000000, 0.0031598400000000, 0.0007007700000000 ] - [ -0.0008301200000000, 0.0030485600000000, 0.0007121000000000 ] - [ -0.0009358300000000, 0.0032146900000000, 0.0004550400000000 ] - [ -0.0009408000000000, 0.0032409700000000, 0.0005150500000000 ] - [ -0.0008288000000000, 0.0032128800000000, 0.0005306200000000 ] - [ 0.0001002800000000, 0.0057355700000000, -0.0027001200000000 ] - [ -0.0009052200000000, 0.0030638100000000, 0.0005186400000000 ] - [ -0.0006998700000000, 0.0032835600000000, 0.0005178300000000 ] - [ 0.0038216600000000, -0.0017197900000000, -0.0027000000000000 ] - [ -0.0005440300000000, -0.0036405600000000, -0.0007156000000000 ] - [ 0.0009333300000000, -0.0032133100000000, 0.0004562400000000 ] - [ 0.0008421300000000, -0.0031860700000000, 0.0005177800000000 ] - [ 0.0007756600000000, -0.0031122100000000, 0.0007132800000000 ] - [ 0.0010039300000000, -0.0032063100000000, 0.0005307000000000 ] - [ 0.0010012900000000, -0.0030170100000000, 0.0005192000000000 ] - [ 0.0008568000000000, -0.0030816600000000, 0.0006990900000000 ] - [ 0.0009426200000000, -0.0030974500000000, 0.0005165700000000 ] - [ -0.0032083300000000, -0.0009316300000000, -0.0008562900000000 ] - [ -0.0032200500000000, -0.0008917700000000, -0.0009682000000000 ] - [ -0.0030450600000000, -0.0008977700000000, -0.0006068600000000 ] - [ -0.0032081900000000, -0.0008559200000000, -0.0006141800000000 ] - [ -0.0031742800000000, -0.0007561900000000, -0.0006135200000000 ] - [ -0.0031387500000000, -0.0008683000000000, -0.0006253000000000 ] - [ -0.0028840900000000, -0.0006635100000000, -0.0009695400000000 ] - [ -0.0032196100000000, -0.0009829800000000, -0.0008559900000000 ] - [ -0.0031406800000000, -0.0009473400000000, -0.0006051700000000 ] - [ 0.0028726900000000, 0.0005297400000000, -0.0010966900000000 ] - [ 0.0032074900000000, 0.0007266100000000, -0.0007342600000000 ] - [ 0.0032333900000000, 0.0009088700000000, -0.0016539600000000 ] - [ 0.0029556600000000, 0.0008806000000000, -0.0010732900000000 ] - [ 0.0031870100000000, 0.0009302000000000, -0.0005889800000000 ] - [ 0.0031291300000000, 0.0008897300000000, -0.0006239700000000 ] - [ 0.0031927500000000, 0.0009672400000000, -0.0016545300000000 ] - [ 0.0031555400000000, 0.0008711100000000, -0.0006192900000000 ] - [ 0.0031823700000000, 0.0009045300000000, -0.0006377300000000 ] - [ -0.0040038500000000, 0.0043624500000000, -0.0014134700000000 ] - [ 0.0022202100000000, 0.0032873800000000, -0.0019612000000000 ] - [ -0.0007941600000000, 0.0031539800000000, 0.0005510500000000 ] - [ -0.0008711200000000, 0.0031112500000000, 0.0005607000000000 ] - [ -0.0008437500000000, 0.0034002400000000, 0.0005929600000000 ] - [ -0.0008392300000000, 0.0032215400000000, 0.0005784200000000 ] - [ -0.0010196500000000, 0.0031568600000000, 0.0006766500000000 ] - [ -0.0007499700000000, 0.0030904800000000, 0.0007208900000000 ] - [ -0.0008955400000000, 0.0030947400000000, 0.0006200800000000 ] - [ 0.0010581900000000, -0.0007444700000000, -0.0014159700000000 ] - [ 0.0010878300000000, -0.0031343600000000, 0.0005595500000000 ] - [ 0.0007869200000000, -0.0030476100000000, 0.0006760600000000 ] - [ 0.0008901700000000, -0.0030949700000000, 0.0005529900000000 ] - [ 0.0009581800000000, -0.0030974500000000, 0.0005786600000000 ] - [ 0.0008393200000000, -0.0031426000000000, 0.0006203200000000 ] - [ 0.0018528000000000, -0.0067937600000000, -0.0019587900000000 ] - [ 0.0007812000000000, -0.0031456000000000, 0.0005932800000000 ] - [ 0.0008668500000000, -0.0033499400000000, 0.0007210100000000 ] - [ -0.0197636600000000, 0.0147811100000000, -0.0222002500000000 ] - [ -0.0006726300000000, -0.0002699300000000, -0.0004459800000000 ] - [ 0.0000107700000000, 0.0001060300000000, -0.0000882000000000 ] - [ 0.0000558900000000, -0.0001398600000000, 0.0000370400000000 ] - [ 0.0000280900000000, -0.0002232300000000, -0.0000792700000000 ] - [ -0.0000711200000000, -0.0000242600000000, -0.0001713300000000 ] - [ 0.0008225400000000, 0.0001809500000000, -0.0010026200000000 ] - [ 0.0001799000000000, -0.0001004100000000, -0.0006422400000000 ] - [ -0.0000567100000000, 0.0000757600000000, -0.0001409900000000 ] - [ 0.0146847000000000, 0.0134616800000000, -0.0120938600000000 ] - [ 0.0002689800000000, 0.0003219400000000, 0.0001681200000000 ] - [ -0.0001953700000000, 0.0001791200000000, -0.0000523700000000 ] - [ 0.0001409800000000, 0.0003834800000000, 0.0000552000000000 ] - [ -0.0003021200000000, -0.0002958000000000, -0.0005895400000000 ] - [ -0.0001545000000000, 0.0000598800000000, -0.0001674800000000 ] - [ 0.0001397900000000, -0.0002097700000000, -0.0000358800000000 ] - [ 0.0000169800000000, -0.0001866100000000, -0.0001295600000000 ] - [ -0.0000720100000000, -0.0000535400000000, 0.0000496800000000 ] - [ -0.0008899800000000, -0.0015469800000000, 0.0012459700000000 ] - [ 0.0009796400000000, 0.0010321000000000, 0.0009767200000000 ] - [ -0.0000771500000000, 0.0001998400000000, 0.0000700500000000 ] - [ 0.0001215800000000, 0.0000838000000000, 0.0001249400000000 ] - [ 0.0005681700000000, 0.0002115400000000, 0.0003560300000000 ] - [ -0.0001211600000000, -0.0001234300000000, 0.0000114700000000 ] - [ -0.0000375500000000, -0.0001240300000000, 0.0001618100000000 ] - [ -0.0001312000000000, -0.0002574400000000, 0.0000872700000000 ] - [ -0.0000126900000000, -0.0000254600000000, 0.0000769300000000 ] - [ 0.0008278400000000, -0.0012774200000000, 0.0009649400000000 ] - [ -0.0001201700000000, 0.0002517300000000, 0.0013822100000000 ] - [ -0.0001891400000000, 0.0000881200000000, 0.0000129700000000 ] - [ 0.0000107400000000, -0.0000468700000000, 0.0000605500000000 ] - [ 0.0001446700000000, -0.0002029700000000, 0.0000564900000000 ] - [ -0.0000413000000000, -0.0000450800000000, 0.0000615400000000 ] - [ -0.0001254900000000, -0.0000833900000000, 0.0001524300000000 ] - [ -0.0012176400000000, 0.0008190200000000, 0.0007762000000000 ] - [ -0.0000146000000000, 0.0000047200000000, 0.0000346000000000 ]- atom: 91 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0025848500000000, 0.0033999700000000, -0.0019046600000000 ] - [ 0.0027122700000000, -0.0029991900000000, -0.0019970400000000 ] - [ 0.0005219800000000, -0.0000769400000000, -0.0001073100000000 ] - [ 0.0026997600000000, -0.0029882200000000, 0.0020063500000000 ] - [ 0.0025927400000000, 0.0034155800000000, 0.0018936100000000 ] - [ 0.0005222800000000, -0.0000767500000000, 0.0001070700000000 ] - [ -0.0000586600000000, -0.0000873700000000, 0.0000230700000000 ] - [ -0.0000586200000000, -0.0000872400000000, -0.0000231600000000 ] - [ 0.0002616800000000, -0.0001254700000000, 0.0000000500000000 ] - [ -0.0005879400000000, 0.0007300700000000, 0.0000004500000000 ] - [ 0.0004287200000000, -0.0001140300000000, 0.0000254700000000 ] - [ 0.0004313600000000, -0.0001135900000000, -0.0000255700000000 ] - [ -0.0014695500000000, -0.0000492200000000, -0.0007184100000000 ] - [ 0.0002049900000000, 0.0000239000000000, 0.0000549700000000 ] - [ 0.0001961100000000, -0.0001226400000000, 0.0000484500000000 ] - [ -0.0014707600000000, -0.0000487800000000, 0.0007190700000000 ] - [ 0.0001965100000000, -0.0001228400000000, -0.0000486700000000 ] - [ 0.0002044000000000, 0.0000235300000000, -0.0000544100000000 ] - [ 0.0241095200000000, -0.0162318100000000, 0.0192034000000000 ] - [ -0.0035864300000000, -0.0007216700000000, -0.0005916900000000 ] - [ -0.0038040800000000, -0.0012066300000000, 0.0000923100000000 ] - [ -0.0017785300000000, -0.0008562400000000, -0.0014020400000000 ] - [ -0.0035283300000000, -0.0010539900000000, -0.0005217700000000 ] - [ -0.0041417700000000, -0.0001692600000000, -0.0007579800000000 ] - [ -0.0029644800000000, -0.0008769600000000, -0.0006355600000000 ] - [ -0.0034674600000000, -0.0005764900000000, -0.0005099700000000 ] - [ -0.0031211400000000, -0.0008660700000000, -0.0006061500000000 ] - [ 0.0300170800000000, -0.0139242000000000, -0.0197902100000000 ] - [ 0.0024801700000000, 0.0005827800000000, -0.0012515000000000 ] - [ 0.0026995600000000, 0.0010689900000000, -0.0005674900000000 ] - [ 0.0033200600000000, 0.0009161900000000, -0.0005250400000000 ] - [ 0.0031637000000000, 0.0009281000000000, -0.0005542600000000 ] - [ 0.0028158900000000, 0.0012202400000000, -0.0006509800000000 ] - [ 0.0045079300000000, 0.0009364100000000, 0.0002439900000000 ] - [ 0.0021471200000000, 0.0016199700000000, -0.0004034800000000 ] - [ 0.0027582500000000, 0.0007394100000000, -0.0006359300000000 ] - [ 0.0000604400000000, 0.0034368100000000, 0.0016147100000000 ] - [ -0.0015105900000000, 0.0028734100000000, 0.0003191200000000 ] - [ -0.0011198500000000, 0.0029508200000000, 0.0007921800000000 ] - [ -0.0005650800000000, 0.0031351800000000, 0.0007767800000000 ] - [ -0.0010546500000000, 0.0031581600000000, 0.0005524800000000 ] - [ -0.0009257200000000, 0.0032425300000000, 0.0004572200000000 ] - [ -0.0000323000000000, 0.0044889300000000, -0.0009705400000000 ] - [ -0.0011937700000000, 0.0031065000000000, 0.0004568000000000 ] - [ -0.0010285900000000, 0.0029451500000000, 0.0006618100000000 ] - [ 0.0018579100000000, -0.0028448500000000, -0.0004562400000000 ] - [ 0.0006751600000000, -0.0033330400000000, 0.0003691300000000 ] - [ 0.0002809700000000, -0.0034124100000000, 0.0008369700000000 ] - [ 0.0017594100000000, -0.0017943500000000, 0.0021304200000000 ] - [ 0.0007623000000000, -0.0033421800000000, 0.0004942800000000 ] - [ 0.0006019400000000, -0.0031777400000000, 0.0007052800000000 ] - [ 0.0012290800000000, -0.0031501700000000, 0.0003825700000000 ] - [ 0.0008692300000000, -0.0030410800000000, 0.0007042300000000 ] - [ 0.0007361500000000, -0.0031280800000000, 0.0006039000000000 ] - [ -0.0032567400000000, -0.0008201300000000, -0.0015642500000000 ] - [ -0.0034491100000000, -0.0009608500000000, 0.0003119800000000 ] - [ -0.0035936900000000, -0.0007554800000000, -0.0005023800000000 ] - [ -0.0030533000000000, -0.0005455200000000, -0.0004489000000000 ] - [ -0.0031171700000000, -0.0009729200000000, -0.0005406900000000 ] - [ -0.0033411200000000, -0.0008288800000000, -0.0005664800000000 ] - [ -0.0025253000000000, -0.0014580300000000, -0.0011547000000000 ] - [ -0.0032944000000000, -0.0007566100000000, -0.0007024200000000 ] - [ -0.0033819500000000, -0.0008554500000000, -0.0004577400000000 ] - [ 0.0030244100000000, 0.0009746400000000, 0.0004057600000000 ] - [ 0.0026937000000000, 0.0010367800000000, -0.0006551400000000 ] - [ 0.0028320800000000, 0.0008321100000000, -0.0014746500000000 ] - [ 0.0037577500000000, 0.0003352500000000, -0.0000059400000000 ] - [ 0.0029044100000000, 0.0009352800000000, -0.0006995800000000 ] - [ 0.0029894400000000, 0.0010391000000000, -0.0004583800000000 ] - [ 0.0032318600000000, 0.0012480200000000, -0.0007109600000000 ] - [ 0.0029421800000000, 0.0009671000000000, -0.0005948500000000 ] - [ 0.0031693300000000, 0.0008185300000000, -0.0006172200000000 ] - [ 0.0110850100000000, 0.0191073900000000, 0.0149717000000000 ] - [ -0.0022791100000000, 0.0036075900000000, 0.0007677500000000 ] - [ -0.0014198700000000, 0.0030010200000000, 0.0004393200000000 ] - [ -0.0010724500000000, 0.0041123000000000, 0.0003070200000000 ] - [ -0.0011852400000000, 0.0025085100000000, 0.0004831600000000 ] - [ -0.0012552000000000, 0.0031968000000000, 0.0003549300000000 ] - [ -0.0006124100000000, 0.0032297400000000, 0.0006850900000000 ] - [ -0.0008286300000000, 0.0032481700000000, 0.0006559000000000 ] - [ -0.0012329300000000, 0.0030144700000000, 0.0005547400000000 ] - [ 0.0129591600000000, 0.0131658900000000, -0.0141433000000000 ] - [ 0.0003703900000000, -0.0032846300000000, 0.0007194900000000 ] - [ -0.0004824500000000, -0.0026780000000000, 0.0003925500000000 ] - [ 0.0011811000000000, -0.0030550900000000, 0.0004747700000000 ] - [ 0.0005634600000000, -0.0032693700000000, 0.0006074900000000 ] - [ 0.0009654300000000, -0.0030362400000000, 0.0005031000000000 ] - [ 0.0007172400000000, -0.0021693000000000, 0.0008535600000000 ] - [ 0.0005369500000000, -0.0030878600000000, 0.0008031200000000 ] - [ 0.0006030600000000, -0.0037808000000000, 0.0006781500000000 ] - [ -0.0840234800000000, 0.0000032200000000, -0.0002176600000000 ] - [ 0.0014170800000000, 0.0003485000000000, 0.0001793200000000 ] - [ 0.0014110500000000, 0.0003485600000000, -0.0001798300000000 ] - [ -0.0006458200000000, -0.0003475000000000, -0.0000804200000000 ] - [ 0.0002452400000000, 0.0004460300000000, 0.0002985100000000 ] - [ 0.0005337500000000, -0.0004454300000000, 0.0005575000000000 ] - [ -0.0006458000000000, -0.0003492700000000, 0.0000805500000000 ] - [ 0.0005319700000000, -0.0004457100000000, -0.0005561000000000 ] - [ 0.0002457200000000, 0.0004467000000000, -0.0003012200000000 ] - [ -0.0064380300000000, -0.0026338400000000, 0.0024744900000000 ] - [ 0.0006669000000000, -0.0000028900000000, 0.0002984900000000 ] - [ 0.0006801500000000, 0.0008007200000000, -0.0006128400000000 ] - [ -0.0064297700000000, -0.0026359600000000, -0.0024746100000000 ] - [ 0.0006841900000000, 0.0008055200000000, 0.0006175400000000 ] - [ 0.0006722100000000, -0.0000043000000000, -0.0002979800000000 ] - [ -0.0004878800000000, -0.0000836800000000, 0.0000001900000000 ] - [ 0.0001294800000000, -0.0001647400000000, -0.0001054500000000 ] - [ 0.0001273100000000, -0.0001646900000000, 0.0001047800000000 ] - [ -0.0003417800000000, -0.0001649600000000, 0.0007572300000000 ] - [ 0.0006084800000000, 0.0001659500000000, 0.0005346800000000 ] - [ 0.0005816400000000, 0.0001966100000000, -0.0002024200000000 ] - [ 0.0006075900000000, 0.0001646500000000, -0.0005392600000000 ] - [ -0.0003413800000000, -0.0001653000000000, -0.0007526000000000 ] - [ 0.0005820000000000, 0.0001973600000000, 0.0002043100000000 ] - [ -0.0000394800000000, -0.0001964700000000, 0.0001109000000000 ] - [ -0.0000392300000000, -0.0001964200000000, -0.0001093800000000 ] - [ 0.0002869700000000, 0.0000003900000000, -0.0000015100000000 ] - [ 0.0037584900000000, -0.0022265800000000, 0.0047705800000000 ] - [ 0.0037686800000000, -0.0022104000000000, -0.0047957900000000 ] - [ 0.0006841600000000, -0.0000630900000000, -0.0000006200000000 ] - [ 0.0003047700000000, -0.0002973400000000, -0.0000692600000000 ] - [ -0.0001481200000000, 0.0005649900000000, -0.0000599300000000 ] - [ 0.0004049100000000, -0.0001225400000000, 0.0001549700000000 ] - [ -0.0001491100000000, 0.0005663200000000, 0.0000612900000000 ] - [ 0.0003058400000000, -0.0002998600000000, 0.0000684000000000 ] - [ 0.0004041900000000, -0.0001212200000000, -0.0001549200000000 ]- atom: 91 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0020465600000000, 0.0020999900000000, -0.0045708200000000 ] - [ 0.0021033500000000, -0.0020475700000000, -0.0045790200000000 ] - [ 0.0000840500000000, -0.0000096600000000, 0.0000047600000000 ] - [ -0.0021033500000000, 0.0020475700000000, -0.0045790200000000 ] - [ -0.0020465600000000, -0.0020999900000000, -0.0045708200000000 ] - [ -0.0000840500000000, 0.0000096600000000, 0.0000047600000000 ] - [ 0.0000094300000000, 0.0000838000000000, 0.0000046800000000 ] - [ -0.0000094300000000, -0.0000838000000000, 0.0000046800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005912700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012123200000000 ] - [ 0.0000250800000000, 0.0006152800000000, 0.0003472700000000 ] - [ -0.0000250800000000, -0.0006152800000000, 0.0003472700000000 ] - [ 0.0006159300000000, -0.0000264700000000, 0.0003474800000000 ] - [ -0.0000043900000000, -0.0000442500000000, 0.0001155900000000 ] - [ -0.0000447300000000, 0.0000045600000000, 0.0001149900000000 ] - [ -0.0006159300000000, 0.0000264700000000, 0.0003474800000000 ] - [ 0.0000447300000000, -0.0000045600000000, 0.0001149900000000 ] - [ 0.0000043900000000, 0.0000442500000000, 0.0001155900000000 ] - [ 0.0169441500000000, -0.0149801500000000, 0.0216117800000000 ] - [ -0.0031864500000000, -0.0010118500000000, -0.0004912900000000 ] - [ -0.0040185900000000, -0.0013659700000000, -0.0001349500000000 ] - [ -0.0040937900000000, -0.0012439700000000, 0.0004060800000000 ] - [ -0.0031410100000000, -0.0010102900000000, -0.0004328600000000 ] - [ -0.0015466000000000, -0.0020529700000000, 0.0000632500000000 ] - [ -0.0031711100000000, -0.0009236500000000, -0.0005980400000000 ] - [ -0.0033989200000000, -0.0006068200000000, -0.0004164900000000 ] - [ -0.0030887200000000, -0.0009992600000000, -0.0004955000000000 ] - [ -0.0169441500000000, 0.0149801500000000, 0.0216117800000000 ] - [ 0.0040185900000000, 0.0013659700000000, -0.0001349500000000 ] - [ 0.0031864500000000, 0.0010118500000000, -0.0004912900000000 ] - [ 0.0031711100000000, 0.0009236500000000, -0.0005980400000000 ] - [ 0.0030887200000000, 0.0009992600000000, -0.0004955000000000 ] - [ 0.0033989200000000, 0.0006068200000000, -0.0004164900000000 ] - [ 0.0040937900000000, 0.0012439700000000, 0.0004060800000000 ] - [ 0.0015466000000000, 0.0020529700000000, 0.0000632500000000 ] - [ 0.0031410100000000, 0.0010102900000000, -0.0004328600000000 ] - [ -0.0015819400000000, 0.0028290200000000, -0.0004160000000000 ] - [ -0.0006882800000000, 0.0031574800000000, 0.0005015300000000 ] - [ -0.0009908400000000, 0.0034646000000000, 0.0002388100000000 ] - [ -0.0009587200000000, 0.0032639300000000, 0.0005182400000000 ] - [ -0.0009089900000000, 0.0031848900000000, 0.0004939400000000 ] - [ -0.0009022500000000, 0.0030769500000000, 0.0005639900000000 ] - [ -0.0007340600000000, 0.0035782400000000, -0.0006716000000000 ] - [ -0.0010895200000000, 0.0031233000000000, 0.0004227600000000 ] - [ -0.0007899700000000, 0.0031676400000000, 0.0004511800000000 ] - [ 0.0015819400000000, -0.0028290200000000, -0.0004160000000000 ] - [ 0.0009908400000000, -0.0034646000000000, 0.0002388100000000 ] - [ 0.0006882800000000, -0.0031574800000000, 0.0005015300000000 ] - [ 0.0007340600000000, -0.0035782400000000, -0.0006716000000000 ] - [ 0.0007899700000000, -0.0031676400000000, 0.0004511800000000 ] - [ 0.0010895200000000, -0.0031233000000000, 0.0004227600000000 ] - [ 0.0009587200000000, -0.0032639300000000, 0.0005182400000000 ] - [ 0.0009022500000000, -0.0030769500000000, 0.0005639900000000 ] - [ 0.0009089900000000, -0.0031848900000000, 0.0004939400000000 ] - [ -0.0034708900000000, -0.0001938000000000, -0.0015588100000000 ] - [ -0.0027135200000000, -0.0010579700000000, -0.0018374600000000 ] - [ -0.0030330000000000, -0.0008318500000000, -0.0006417300000000 ] - [ -0.0031390900000000, -0.0011010700000000, -0.0006586400000000 ] - [ -0.0031752700000000, -0.0006979400000000, -0.0007344400000000 ] - [ -0.0031132500000000, -0.0008787000000000, -0.0006637100000000 ] - [ -0.0028290600000000, -0.0008025600000000, -0.0009254500000000 ] - [ -0.0031321800000000, -0.0009954300000000, -0.0007059300000000 ] - [ -0.0032211100000000, -0.0008851200000000, -0.0005925900000000 ] - [ 0.0034708900000000, 0.0001938000000000, -0.0015588100000000 ] - [ 0.0030330000000000, 0.0008318500000000, -0.0006417300000000 ] - [ 0.0027135200000000, 0.0010579700000000, -0.0018374600000000 ] - [ 0.0028290600000000, 0.0008025600000000, -0.0009254500000000 ] - [ 0.0032211100000000, 0.0008851200000000, -0.0005925900000000 ] - [ 0.0031321800000000, 0.0009954300000000, -0.0007059300000000 ] - [ 0.0031390900000000, 0.0011010700000000, -0.0006586400000000 ] - [ 0.0031132500000000, 0.0008787000000000, -0.0006637100000000 ] - [ 0.0031752700000000, 0.0006979400000000, -0.0007344400000000 ] - [ 0.0127596400000000, 0.0227329900000000, 0.0225157700000000 ] - [ -0.0005462200000000, 0.0022028500000000, 0.0015662900000000 ] - [ -0.0008630400000000, 0.0031263300000000, 0.0005605000000000 ] - [ -0.0004202500000000, 0.0022756500000000, 0.0010267000000000 ] - [ 0.0002631300000000, 0.0047489200000000, 0.0012223500000000 ] - [ -0.0007887000000000, 0.0032082100000000, 0.0006620800000000 ] - [ -0.0007757300000000, 0.0031115100000000, 0.0006669600000000 ] - [ -0.0007783100000000, 0.0031567400000000, 0.0007247300000000 ] - [ -0.0011739700000000, 0.0029027400000000, 0.0007337300000000 ] - [ -0.0127596400000000, -0.0227329900000000, 0.0225157700000000 ] - [ 0.0008630400000000, -0.0031263300000000, 0.0005605000000000 ] - [ 0.0005462200000000, -0.0022028500000000, 0.0015662900000000 ] - [ 0.0007757300000000, -0.0031115100000000, 0.0006669600000000 ] - [ 0.0011739700000000, -0.0029027400000000, 0.0007337300000000 ] - [ 0.0007783100000000, -0.0031567400000000, 0.0007247300000000 ] - [ 0.0004202500000000, -0.0022756500000000, 0.0010267000000000 ] - [ 0.0007887000000000, -0.0032082100000000, 0.0006620800000000 ] - [ -0.0002631300000000, -0.0047489200000000, 0.0012223500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0886966100000000 ] - [ -0.0001792400000000, 0.0000828000000000, -0.0002444900000000 ] - [ 0.0001792400000000, -0.0000828000000000, -0.0002444900000000 ] - [ 0.0000825200000000, 0.0001802200000000, -0.0002449300000000 ] - [ -0.0003005100000000, -0.0005582600000000, -0.0009920600000000 ] - [ -0.0005571300000000, 0.0003004100000000, -0.0009935900000000 ] - [ -0.0000825200000000, -0.0001802200000000, -0.0002449300000000 ] - [ 0.0005571300000000, -0.0003004100000000, -0.0009935900000000 ] - [ 0.0003005100000000, 0.0005582600000000, -0.0009920600000000 ] - [ -0.0027629300000000, -0.0041964600000000, 0.0042322700000000 ] - [ 0.0006873600000000, 0.0003742000000000, 0.0003810600000000 ] - [ -0.0000039300000000, 0.0002714500000000, 0.0000961400000000 ] - [ 0.0027629300000000, 0.0041964600000000, 0.0042322700000000 ] - [ 0.0000039300000000, -0.0002714500000000, 0.0000961400000000 ] - [ -0.0006873600000000, -0.0003742000000000, 0.0003810600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000809700000000 ] - [ -0.0000829200000000, -0.0001864000000000, 0.0000685900000000 ] - [ 0.0000829200000000, 0.0001864000000000, 0.0000685900000000 ] - [ -0.0007591100000000, -0.0005401100000000, 0.0009658000000000 ] - [ -0.0005346200000000, 0.0007546300000000, 0.0009549700000000 ] - [ 0.0002049500000000, 0.0001102100000000, 0.0000748900000000 ] - [ 0.0005346200000000, -0.0007546300000000, 0.0009549700000000 ] - [ 0.0007591100000000, 0.0005401100000000, 0.0009658000000000 ] - [ -0.0002049500000000, -0.0001102100000000, 0.0000748900000000 ] - [ -0.0001093400000000, 0.0002053300000000, 0.0000750000000000 ] - [ 0.0001093400000000, -0.0002053300000000, 0.0000750000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001277700000000 ] - [ 0.0041754800000000, -0.0027835600000000, 0.0042187800000000 ] - [ -0.0041754800000000, 0.0027835600000000, 0.0042187800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000795900000000 ] - [ -0.0002717800000000, -0.0000005800000000, 0.0000942000000000 ] - [ 0.0003729500000000, -0.0006895900000000, 0.0003790600000000 ] - [ -0.0001843700000000, 0.0000824200000000, 0.0000678000000000 ] - [ -0.0003729500000000, 0.0006895900000000, 0.0003790600000000 ] - [ 0.0002717800000000, 0.0000005800000000, 0.0000942000000000 ] - [ 0.0001843700000000, -0.0000824200000000, 0.0000678000000000 ]- atom: 100 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0026611300000000, -0.0024154000000000, 0.0028736200000000 ] - [ 0.0026720000000000, -0.0024040000000000, -0.0028823700000000 ] - [ 0.0005322200000000, -0.0000451300000000, -0.0000002100000000 ] - [ -0.0001523800000000, 0.0000420400000000, -0.0003082700000000 ] - [ 0.0002686800000000, 0.0006283500000000, 0.0002291100000000 ] - [ 0.0002987600000000, -0.0001217300000000, 0.0001396900000000 ] - [ 0.0002672900000000, 0.0006289600000000, -0.0002280600000000 ] - [ -0.0001520400000000, 0.0000408900000000, 0.0003082800000000 ] - [ 0.0002994600000000, -0.0001222000000000, -0.0001397200000000 ] - [ -0.0048541500000000, -0.0017256300000000, -0.0023342200000000 ] - [ 0.0005677300000000, 0.0004083500000000, 0.0006009200000000 ] - [ 0.0004183100000000, -0.0002323800000000, 0.0000840300000000 ] - [ -0.0004005900000000, 0.0001067500000000, -0.0000003300000000 ] - [ 0.0001232800000000, -0.0000475700000000, -0.0000468800000000 ] - [ 0.0001234800000000, -0.0000478300000000, 0.0000464600000000 ] - [ -0.0048616000000000, -0.0017278000000000, 0.0023354100000000 ] - [ 0.0004158400000000, -0.0002325400000000, -0.0000839100000000 ] - [ 0.0005648700000000, 0.0004047600000000, -0.0005974800000000 ] - [ 0.0234350800000000, 0.0184113200000000, -0.0156975100000000 ] - [ -0.0035504100000000, -0.0008816600000000, -0.0003805700000000 ] - [ -0.0037648300000000, -0.0003395700000000, -0.0008567800000000 ] - [ -0.0029026000000000, -0.0010224100000000, -0.0007142300000000 ] - [ -0.0034328000000000, -0.0010327200000000, -0.0005141300000000 ] - [ -0.0030856900000000, -0.0008934300000000, -0.0005879200000000 ] - [ -0.0023587900000000, -0.0017154700000000, -0.0007217600000000 ] - [ -0.0035228800000000, -0.0005423500000000, -0.0004233500000000 ] - [ -0.0032202700000000, -0.0008994300000000, -0.0002775900000000 ] - [ 0.0039411200000000, 0.0000693000000000, -0.0004344700000000 ] - [ 0.0030756000000000, 0.0008931700000000, -0.0008797500000000 ] - [ 0.0027732200000000, 0.0012452200000000, -0.0007374900000000 ] - [ 0.0033908700000000, 0.0007698800000000, -0.0004458000000000 ] - [ 0.0032130300000000, 0.0008921000000000, -0.0005701800000000 ] - [ 0.0028628000000000, 0.0007550600000000, -0.0006450300000000 ] - [ 0.0293605600000000, 0.0196429000000000, 0.0140245500000000 ] - [ 0.0025297500000000, 0.0014515000000000, -0.0003005900000000 ] - [ 0.0027452900000000, 0.0009101000000000, -0.0007777500000000 ] - [ -0.0003208900000000, 0.0039510700000000, 0.0008931800000000 ] - [ -0.0013193700000000, 0.0027894100000000, 0.0003932500000000 ] - [ -0.0008167200000000, 0.0031441400000000, 0.0002847500000000 ] - [ -0.0006422200000000, 0.0032105500000000, 0.0007621500000000 ] - [ -0.0011641500000000, 0.0032402700000000, 0.0005179100000000 ] - [ -0.0008686900000000, 0.0031074200000000, 0.0006455600000000 ] - [ 0.0208693100000000, -0.0165120100000000, 0.0144161100000000 ] - [ -0.0013206300000000, 0.0031482000000000, 0.0003784100000000 ] - [ -0.0018615200000000, 0.0025568200000000, 0.0009542800000000 ] - [ 0.0224225300000000, -0.0223237900000000, -0.0128385700000000 ] - [ -0.0000729900000000, -0.0037377800000000, 0.0002016700000000 ] - [ 0.0004690100000000, -0.0031501700000000, 0.0007804900000000 ] - [ 0.0011488600000000, -0.0030831200000000, 0.0003993000000000 ] - [ 0.0009210500000000, -0.0031882400000000, 0.0005149200000000 ] - [ 0.0006243100000000, -0.0030542800000000, 0.0006414800000000 ] - [ 0.0014691100000000, -0.0023443700000000, 0.0002631900000000 ] - [ 0.0009748100000000, -0.0031541000000000, 0.0008721700000000 ] - [ 0.0004728700000000, -0.0035042000000000, 0.0007682600000000 ] - [ -0.0033002200000000, 0.0004587500000000, 0.0006311900000000 ] - [ -0.0031603300000000, -0.0010619600000000, -0.0004506300000000 ] - [ -0.0034505300000000, -0.0007997800000000, -0.0005710200000000 ] - [ -0.0029527900000000, -0.0011923400000000, -0.0007168700000000 ] - [ -0.0031700300000000, -0.0007459600000000, -0.0005958300000000 ] - [ -0.0033165300000000, -0.0008640600000000, -0.0005311200000000 ] - [ -0.0025052900000000, -0.0015574900000000, -0.0004649100000000 ] - [ -0.0037486800000000, -0.0006550900000000, -0.0014034500000000 ] - [ -0.0035886200000000, -0.0008384500000000, -0.0003936000000000 ] - [ 0.0037897900000000, 0.0002292000000000, -0.0006953100000000 ] - [ 0.0027058900000000, 0.0009520300000000, -0.0007672200000000 ] - [ 0.0025422600000000, 0.0011335700000000, 0.0002500700000000 ] - [ 0.0033417100000000, 0.0005994900000000, -0.0004423300000000 ] - [ 0.0029796400000000, 0.0009250600000000, -0.0006285400000000 ] - [ 0.0031260200000000, 0.0010442700000000, -0.0005640500000000 ] - [ 0.0029976700000000, 0.0022450100000000, -0.0017884000000000 ] - [ 0.0028469200000000, 0.0009900500000000, -0.0005881700000000 ] - [ 0.0031339100000000, 0.0007300000000000, -0.0007106700000000 ] - [ 0.0001729000000000, 0.0037092800000000, 0.0008223300000000 ] - [ -0.0016022500000000, 0.0030239600000000, 0.0013977000000000 ] - [ -0.0014274100000000, 0.0031243200000000, 0.0003783800000000 ] - [ -0.0006875200000000, 0.0032702500000000, 0.0006704200000000 ] - [ -0.0009402400000000, 0.0029667000000000, 0.0005757200000000 ] - [ -0.0010683800000000, 0.0030917200000000, 0.0005408800000000 ] - [ -0.0010259100000000, 0.0018347700000000, -0.0006885500000000 ] - [ -0.0008655000000000, 0.0033230000000000, 0.0005029800000000 ] - [ -0.0012212900000000, 0.0030664300000000, 0.0005250000000000 ] - [ 0.0007671200000000, -0.0044576900000000, 0.0018485000000000 ] - [ 0.0005683200000000, -0.0032310700000000, 0.0006331100000000 ] - [ 0.0009212300000000, -0.0029767700000000, 0.0006555900000000 ] - [ 0.0010985600000000, -0.0030283000000000, 0.0004861200000000 ] - [ 0.0007218800000000, -0.0032045300000000, 0.0006175500000000 ] - [ 0.0008511700000000, -0.0033270100000000, 0.0005853400000000 ] - [ 0.0019600500000000, -0.0025818400000000, 0.0003398100000000 ] - [ 0.0003620200000000, -0.0031701600000000, 0.0007831200000000 ] - [ 0.0001830100000000, -0.0032719300000000, -0.0002454500000000 ] - [ -0.0064373400000000, 0.0022179500000000, -0.0027672300000000 ] - [ 0.0006800400000000, 0.0002999300000000, -0.0000030700000000 ] - [ 0.0006678200000000, -0.0005641200000000, 0.0006873100000000 ] - [ -0.0004894800000000, 0.0000626800000000, -0.0000008300000000 ] - [ 0.0001279500000000, 0.0001214900000000, 0.0000861500000000 ] - [ 0.0001276100000000, 0.0001228800000000, -0.0000843900000000 ] - [ -0.0064307500000000, 0.0022207700000000, 0.0027733100000000 ] - [ 0.0006721400000000, -0.0005682300000000, -0.0006919700000000 ] - [ 0.0006840300000000, 0.0002994700000000, 0.0000028600000000 ] - [ -0.0919030100000000, -0.0000003800000000, 0.0000788400000000 ] - [ 0.0011179700000000, -0.0000962900000000, -0.0000290400000000 ] - [ 0.0011116600000000, -0.0000973500000000, 0.0000285200000000 ] - [ -0.0002882100000000, 0.0000973800000000, 0.0003869100000000 ] - [ 0.0002990600000000, 0.0003849100000000, 0.0003184000000000 ] - [ 0.0001909800000000, -0.0003849500000000, 0.0002360200000000 ] - [ -0.0002900200000000, 0.0000961600000000, -0.0003868700000000 ] - [ 0.0001898400000000, -0.0003852200000000, -0.0002310400000000 ] - [ 0.0003017800000000, 0.0003852000000000, -0.0003226300000000 ] - [ 0.0037565300000000, 0.0026436200000000, -0.0041728400000000 ] - [ 0.0037708400000000, 0.0026275100000000, 0.0041931500000000 ] - [ 0.0006846600000000, 0.0000829700000000, -0.0000006300000000 ] - [ 0.0003045900000000, -0.0008036800000000, 0.0002709500000000 ] - [ -0.0001490400000000, 0.0000051900000000, -0.0003708400000000 ] - [ 0.0004042600000000, 0.0001659100000000, 0.0001853400000000 ] - [ -0.0001506000000000, 0.0000030900000000, 0.0003695500000000 ] - [ 0.0003061900000000, -0.0008029300000000, -0.0002720800000000 ] - [ 0.0004041500000000, 0.0001648400000000, -0.0001843000000000 ] - [ 0.0000998400000000, 0.0002971900000000, -0.0009122500000000 ] - [ 0.0003880900000000, -0.0002975500000000, -0.0008603800000000 ] - [ 0.0005269800000000, -0.0000656000000000, 0.0001536500000000 ] - [ -0.0001315800000000, 0.0000671700000000, -0.0000327500000000 ] - [ -0.0001317300000000, 0.0000665800000000, 0.0000320700000000 ] - [ 0.0002648100000000, -0.0000003300000000, -0.0000001300000000 ] - [ 0.0003847800000000, -0.0002962300000000, 0.0008633300000000 ] - [ 0.0001025500000000, 0.0002977900000000, 0.0009088700000000 ] - [ 0.0005279800000000, -0.0000684400000000, -0.0001538400000000 ]- atom: 100 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0031988900000000, -0.0018071100000000, 0.0028371600000000 ] - [ -0.0031988900000000, 0.0018071100000000, 0.0028371600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001060500000000 ] - [ 0.0000882100000000, -0.0002144500000000, 0.0003212200000000 ] - [ 0.0000498400000000, -0.0003778700000000, 0.0000057300000000 ] - [ -0.0001041000000000, 0.0001041100000000, 0.0000352700000000 ] - [ -0.0000498400000000, 0.0003778700000000, 0.0000057300000000 ] - [ -0.0000882100000000, 0.0002144500000000, 0.0003212200000000 ] - [ 0.0001041000000000, -0.0001041100000000, 0.0000352700000000 ] - [ 0.0017974900000000, 0.0032146900000000, 0.0028453600000000 ] - [ 0.0002162800000000, 0.0000889000000000, 0.0003229800000000 ] - [ -0.0003772800000000, -0.0000498000000000, 0.0000060600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001065800000000 ] - [ -0.0001040000000000, -0.0001037600000000, 0.0000348400000000 ] - [ 0.0001040000000000, 0.0001037600000000, 0.0000348400000000 ] - [ -0.0017974900000000, -0.0032146900000000, 0.0028453600000000 ] - [ 0.0003772800000000, 0.0000498000000000, 0.0000060600000000 ] - [ -0.0002162800000000, -0.0000889000000000, 0.0003229800000000 ] - [ -0.0190018100000000, -0.0148672400000000, 0.0115204200000000 ] - [ -0.0031176100000000, -0.0009124000000000, -0.0005336500000000 ] - [ -0.0039324500000000, -0.0007060300000000, -0.0007497300000000 ] - [ -0.0031305800000000, -0.0008831700000000, -0.0005489600000000 ] - [ -0.0029273800000000, -0.0006846400000000, -0.0006330600000000 ] - [ -0.0032805500000000, -0.0008969900000000, -0.0004532200000000 ] - [ -0.0027646500000000, -0.0018420000000000, -0.0006325000000000 ] - [ -0.0031414400000000, -0.0010115100000000, -0.0004133700000000 ] - [ -0.0034863600000000, -0.0010868000000000, 0.0000020400000000 ] - [ 0.0027646500000000, 0.0018420000000000, -0.0006325000000000 ] - [ 0.0034863600000000, 0.0010868000000000, 0.0000020400000000 ] - [ 0.0031414400000000, 0.0010115100000000, -0.0004133700000000 ] - [ 0.0031305800000000, 0.0008831700000000, -0.0005489600000000 ] - [ 0.0032805500000000, 0.0008969900000000, -0.0004532200000000 ] - [ 0.0029273800000000, 0.0006846400000000, -0.0006330600000000 ] - [ 0.0190018100000000, 0.0148672400000000, 0.0115204200000000 ] - [ 0.0039324500000000, 0.0007060300000000, -0.0007497300000000 ] - [ 0.0031176100000000, 0.0009124000000000, -0.0005336500000000 ] - [ -0.0010916300000000, 0.0023619900000000, 0.0004168200000000 ] - [ -0.0009007400000000, 0.0030144400000000, 0.0007155500000000 ] - [ -0.0007080000000000, 0.0028060100000000, 0.0011706700000000 ] - [ -0.0008892500000000, 0.0031746200000000, 0.0006380300000000 ] - [ -0.0011135100000000, 0.0033658200000000, 0.0005369000000000 ] - [ -0.0007873200000000, 0.0031527200000000, 0.0007577500000000 ] - [ 0.0133992300000000, -0.0130573200000000, 0.0127812400000000 ] - [ -0.0009161600000000, 0.0031641800000000, 0.0006200700000000 ] - [ 0.0000467800000000, 0.0035302900000000, 0.0005337500000000 ] - [ -0.0133992300000000, 0.0130573200000000, 0.0127812400000000 ] - [ -0.0000467800000000, -0.0035302900000000, 0.0005337500000000 ] - [ 0.0009161600000000, -0.0031641800000000, 0.0006200700000000 ] - [ 0.0008892500000000, -0.0031746200000000, 0.0006380300000000 ] - [ 0.0007873200000000, -0.0031527200000000, 0.0007577500000000 ] - [ 0.0011135100000000, -0.0033658200000000, 0.0005369000000000 ] - [ 0.0010916300000000, -0.0023619900000000, 0.0004168200000000 ] - [ 0.0007080000000000, -0.0028060100000000, 0.0011706700000000 ] - [ 0.0009007400000000, -0.0030144400000000, 0.0007155500000000 ] - [ -0.0029778100000000, -0.0011510300000000, -0.0013570500000000 ] - [ -0.0032397700000000, -0.0010300700000000, -0.0007379600000000 ] - [ -0.0029789400000000, -0.0009047900000000, -0.0006183300000000 ] - [ -0.0031219900000000, -0.0010077800000000, -0.0006416300000000 ] - [ -0.0031478000000000, -0.0007065000000000, -0.0006462400000000 ] - [ -0.0031495700000000, -0.0009010300000000, -0.0006435000000000 ] - [ -0.0019793200000000, 0.0003269100000000, -0.0019697100000000 ] - [ -0.0034971900000000, -0.0006492400000000, -0.0015467200000000 ] - [ -0.0032090500000000, -0.0008579600000000, -0.0005978900000000 ] - [ 0.0019793200000000, -0.0003269100000000, -0.0019697100000000 ] - [ 0.0032090500000000, 0.0008579600000000, -0.0005978900000000 ] - [ 0.0034971900000000, 0.0006492400000000, -0.0015467200000000 ] - [ 0.0031219900000000, 0.0010077800000000, -0.0006416300000000 ] - [ 0.0031495700000000, 0.0009010300000000, -0.0006435000000000 ] - [ 0.0031478000000000, 0.0007065000000000, -0.0006462400000000 ] - [ 0.0029778100000000, 0.0011510300000000, -0.0013570500000000 ] - [ 0.0029789400000000, 0.0009047900000000, -0.0006183300000000 ] - [ 0.0032397700000000, 0.0010300700000000, -0.0007379600000000 ] - [ -0.0021205300000000, 0.0043130000000000, -0.0007996100000000 ] - [ -0.0006433100000000, 0.0033187800000000, -0.0001967400000000 ] - [ -0.0007926300000000, 0.0031689700000000, 0.0005306600000000 ] - [ -0.0009392600000000, 0.0030867100000000, 0.0005713500000000 ] - [ -0.0008944400000000, 0.0033157800000000, 0.0005511500000000 ] - [ -0.0008980000000000, 0.0031442200000000, 0.0005257700000000 ] - [ -0.0011482400000000, 0.0027939100000000, -0.0003838900000000 ] - [ -0.0007687800000000, 0.0030571700000000, 0.0004300400000000 ] - [ -0.0010924200000000, 0.0031462300000000, 0.0005233200000000 ] - [ 0.0011482400000000, -0.0027939100000000, -0.0003838900000000 ] - [ 0.0010924200000000, -0.0031462300000000, 0.0005233200000000 ] - [ 0.0007687800000000, -0.0030571700000000, 0.0004300400000000 ] - [ 0.0009392600000000, -0.0030867100000000, 0.0005713500000000 ] - [ 0.0008980000000000, -0.0031442200000000, 0.0005257700000000 ] - [ 0.0008944400000000, -0.0033157800000000, 0.0005511500000000 ] - [ 0.0021205300000000, -0.0043130000000000, -0.0007996100000000 ] - [ 0.0007926300000000, -0.0031689700000000, 0.0005306600000000 ] - [ 0.0006433100000000, -0.0033187800000000, -0.0001967400000000 ] - [ 0.0024816700000000, -0.0047703300000000, 0.0042183700000000 ] - [ -0.0006167600000000, 0.0000687500000000, 0.0000955600000000 ] - [ 0.0002978300000000, -0.0000616700000000, 0.0003799400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000820200000000 ] - [ 0.0001054500000000, -0.0001556600000000, 0.0000676200000000 ] - [ -0.0001054500000000, 0.0001556600000000, 0.0000676200000000 ] - [ -0.0024816700000000, 0.0047703300000000, 0.0042183700000000 ] - [ -0.0002978300000000, 0.0000616700000000, 0.0003799400000000 ] - [ 0.0006167600000000, -0.0000687500000000, 0.0000955600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0695616800000000 ] - [ 0.0000292600000000, -0.0003864500000000, -0.0006833900000000 ] - [ -0.0000292600000000, 0.0003864500000000, -0.0006833900000000 ] - [ -0.0003872900000000, -0.0000269900000000, -0.0006832600000000 ] - [ -0.0003213000000000, -0.0002339800000000, -0.0008333600000000 ] - [ -0.0002345300000000, 0.0003213400000000, -0.0008314100000000 ] - [ 0.0003872900000000, 0.0000269900000000, -0.0006832600000000 ] - [ 0.0002345300000000, -0.0003213400000000, -0.0008314100000000 ] - [ 0.0003213000000000, 0.0002339800000000, -0.0008333600000000 ] - [ -0.0047979300000000, -0.0024684000000000, 0.0042309900000000 ] - [ 0.0047979300000000, 0.0024684000000000, 0.0042309900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000829000000000 ] - [ 0.0000682500000000, 0.0006161300000000, 0.0000951400000000 ] - [ 0.0000623600000000, 0.0003006400000000, 0.0003820400000000 ] - [ -0.0001549300000000, -0.0001051100000000, 0.0000669900000000 ] - [ -0.0000623600000000, -0.0003006400000000, 0.0003820400000000 ] - [ -0.0000682500000000, -0.0006161300000000, 0.0000951400000000 ] - [ 0.0001549300000000, 0.0001051100000000, 0.0000669900000000 ] - [ 0.0009086400000000, -0.0008605300000000, 0.0013412000000000 ] - [ 0.0008654100000000, 0.0009136700000000, 0.0013470300000000 ] - [ -0.0001541500000000, 0.0000318900000000, 0.0000922800000000 ] - [ 0.0000317800000000, 0.0001543100000000, 0.0000919800000000 ] - [ -0.0000317800000000, -0.0001543100000000, 0.0000919800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001679600000000 ] - [ -0.0008654100000000, -0.0009136700000000, 0.0013470300000000 ] - [ -0.0009086400000000, 0.0008605300000000, 0.0013412000000000 ] - [ 0.0001541500000000, -0.0000318900000000, 0.0000922800000000 ]