# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/272e1a08-ea2c-44e3-bf46-166bc3f210d3/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 Cd2GaAgS4 / Pmn2_1 (31) / materials id 6356](https://mdr.nims.go.jp/datasets/f80f8fe1-e26b-4f8e-bf9b-996d23e4ce1a) ## 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: "Pmn2_1" number: 31 Hall_symbol: "P 2ac -2"supercell_matrix:- [ 2, 0, 0 ]- [ 0, 2, 0 ]- [ 0, 0, 2 ]primitive_cell: lattice: - [ 8.075256160000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 6.864520590000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 6.569629210000000 ] # c points: - symbol: S # 1 coordinates: [ 0.000000000000000, 0.135827070000000, 0.109714970000000 ] mass: 32.065000 - symbol: S # 2 coordinates: [ 0.500000000000000, 0.864172930000000, 0.609714970000000 ] mass: 32.065000 - symbol: S # 3 coordinates: [ 0.500000000000000, 0.177205320000000, 0.145046250000000 ] mass: 32.065000 - symbol: S # 4 coordinates: [ 0.000000000000000, 0.822794680000000, 0.645046250000000 ] mass: 32.065000 - symbol: S # 5 coordinates: [ 0.263776660000000, 0.323741530000000, 0.603032620000000 ] mass: 32.065000 - symbol: S # 6 coordinates: [ 0.763776660000000, 0.676258470000000, 0.103032620000000 ] mass: 32.065000 - symbol: S # 7 coordinates: [ 0.236223340000000, 0.676258470000000, 0.103032620000000 ] mass: 32.065000 - symbol: S # 8 coordinates: [ 0.736223340000000, 0.323741530000000, 0.603032620000000 ] mass: 32.065000 - symbol: Ga # 9 coordinates: [ 0.500000000000000, 0.176279090000000, 0.491582790000000 ] mass: 69.723000 - symbol: Ga # 10 coordinates: [ 0.000000000000000, 0.823720910000000, 0.991582790000000 ] mass: 69.723000 - symbol: Ag # 11 coordinates: [ 0.500000000000000, 0.843608340000000, 0.990166600000000 ] mass: 107.868200 - symbol: Ag # 12 coordinates: [ 0.000000000000000, 0.156391660000000, 0.490166600000000 ] mass: 107.868200 - symbol: Cd # 13 coordinates: [ 0.252858220000000, 0.674552520000000, 0.486592080000000 ] mass: 112.411000 - symbol: Cd # 14 coordinates: [ 0.752858220000000, 0.325447480000000, 0.986592080000000 ] mass: 112.411000 - symbol: Cd # 15 coordinates: [ 0.747141780000000, 0.674552520000000, 0.486592080000000 ] mass: 112.411000 - symbol: Cd # 16 coordinates: [ 0.247141780000000, 0.325447480000000, 0.986592080000000 ] mass: 112.411000 reciprocal_lattice: # without 2pi - [ 0.123835080917111, 0.000000000000000, 0.000000000000000 ] # a* - [ 0.000000000000000, 0.145676597060072, 0.000000000000000 ] # b* - [ 0.000000000000000, 0.000000000000000, 0.152215592088187 ] # c*unit_cell: lattice: - [ 8.075256160000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 6.864520590000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 6.569629210000000 ] # c points: - symbol: S # 1 coordinates: [ 0.000000000000000, 0.135827070000000, 0.109714970000000 ] mass: 32.065000 reduced_to: 1 - symbol: S # 2 coordinates: [ 0.500000000000000, 0.864172930000000, 0.609714970000000 ] mass: 32.065000 reduced_to: 2 - symbol: S # 3 coordinates: [ 0.500000000000000, 0.177205320000000, 0.145046250000000 ] mass: 32.065000 reduced_to: 3 - symbol: S # 4 coordinates: [ 0.000000000000000, 0.822794680000000, 0.645046250000000 ] mass: 32.065000 reduced_to: 4 - symbol: S # 5 coordinates: [ 0.263776660000000, 0.323741530000000, 0.603032620000000 ] mass: 32.065000 reduced_to: 5 - symbol: S # 6 coordinates: [ 0.763776660000000, 0.676258470000000, 0.103032620000000 ] mass: 32.065000 reduced_to: 6 - symbol: S # 7 coordinates: [ 0.236223340000000, 0.676258470000000, 0.103032620000000 ] mass: 32.065000 reduced_to: 7 - symbol: S # 8 coordinates: [ 0.736223340000000, 0.323741530000000, 0.603032620000000 ] mass: 32.065000 reduced_to: 8 - symbol: Ga # 9 coordinates: [ 0.500000000000000, 0.176279090000000, 0.491582790000000 ] mass: 69.723000 reduced_to: 9 - symbol: Ga # 10 coordinates: [ 0.000000000000000, 0.823720910000000, 0.991582790000000 ] mass: 69.723000 reduced_to: 10 - symbol: Ag # 11 coordinates: [ 0.500000000000000, 0.843608340000000, 0.990166600000000 ] mass: 107.868200 reduced_to: 11 - symbol: Ag # 12 coordinates: [ 0.000000000000000, 0.156391660000000, 0.490166600000000 ] mass: 107.868200 reduced_to: 12 - symbol: Cd # 13 coordinates: [ 0.252858220000000, 0.674552520000000, 0.486592080000000 ] mass: 112.411000 reduced_to: 13 - symbol: Cd # 14 coordinates: [ 0.752858220000000, 0.325447480000000, 0.986592080000000 ] mass: 112.411000 reduced_to: 14 - symbol: Cd # 15 coordinates: [ 0.747141780000000, 0.674552520000000, 0.486592080000000 ] mass: 112.411000 reduced_to: 15 - symbol: Cd # 16 coordinates: [ 0.247141780000000, 0.325447480000000, 0.986592080000000 ] mass: 112.411000 reduced_to: 16supercell: lattice: - [ 16.150512320000001, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 13.729041179999999, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 13.139258420000001 ] # c points: - symbol: S # 1 coordinates: [ 0.000000000000000, 0.067913535000000, 0.054857485000000 ] mass: 32.065000 reduced_to: 1 - symbol: S # 2 coordinates: [ 0.500000000000000, 0.067913535000000, 0.054857485000000 ] mass: 32.065000 reduced_to: 1 - symbol: S # 3 coordinates: [ 0.000000000000000, 0.567913535000000, 0.054857485000000 ] mass: 32.065000 reduced_to: 1 - symbol: S # 4 coordinates: [ 0.500000000000000, 0.567913535000000, 0.054857485000000 ] mass: 32.065000 reduced_to: 1 - symbol: S # 5 coordinates: [ 0.000000000000000, 0.067913535000000, 0.554857485000000 ] mass: 32.065000 reduced_to: 1 - symbol: S # 6 coordinates: [ 0.500000000000000, 0.067913535000000, 0.554857485000000 ] mass: 32.065000 reduced_to: 1 - symbol: S # 7 coordinates: [ 0.000000000000000, 0.567913535000000, 0.554857485000000 ] mass: 32.065000 reduced_to: 1 - symbol: S # 8 coordinates: [ 0.500000000000000, 0.567913535000000, 0.554857485000000 ] mass: 32.065000 reduced_to: 1 - symbol: S # 9 coordinates: [ 0.250000000000000, 0.432086465000000, 0.304857485000000 ] mass: 32.065000 reduced_to: 9 - symbol: S # 10 coordinates: [ 0.750000000000000, 0.432086465000000, 0.304857485000000 ] mass: 32.065000 reduced_to: 9 - symbol: S # 11 coordinates: [ 0.250000000000000, 0.932086465000000, 0.304857485000000 ] mass: 32.065000 reduced_to: 9 - symbol: S # 12 coordinates: [ 0.750000000000000, 0.932086465000000, 0.304857485000000 ] mass: 32.065000 reduced_to: 9 - symbol: S # 13 coordinates: [ 0.250000000000000, 0.432086465000000, 0.804857485000000 ] mass: 32.065000 reduced_to: 9 - symbol: S # 14 coordinates: [ 0.750000000000000, 0.432086465000000, 0.804857485000000 ] mass: 32.065000 reduced_to: 9 - symbol: S # 15 coordinates: [ 0.250000000000000, 0.932086465000000, 0.804857485000000 ] mass: 32.065000 reduced_to: 9 - symbol: S # 16 coordinates: [ 0.750000000000000, 0.932086465000000, 0.804857485000000 ] mass: 32.065000 reduced_to: 9 - symbol: S # 17 coordinates: [ 0.250000000000000, 0.088602660000000, 0.072523125000000 ] mass: 32.065000 reduced_to: 17 - symbol: S # 18 coordinates: [ 0.750000000000000, 0.088602660000000, 0.072523125000000 ] mass: 32.065000 reduced_to: 17 - symbol: S # 19 coordinates: [ 0.250000000000000, 0.588602660000000, 0.072523125000000 ] mass: 32.065000 reduced_to: 17 - symbol: S # 20 coordinates: [ 0.750000000000000, 0.588602660000000, 0.072523125000000 ] mass: 32.065000 reduced_to: 17 - symbol: S # 21 coordinates: [ 0.250000000000000, 0.088602660000000, 0.572523125000000 ] mass: 32.065000 reduced_to: 17 - symbol: S # 22 coordinates: [ 0.750000000000000, 0.088602660000000, 0.572523125000000 ] mass: 32.065000 reduced_to: 17 - symbol: S # 23 coordinates: [ 0.250000000000000, 0.588602660000000, 0.572523125000000 ] mass: 32.065000 reduced_to: 17 - symbol: S # 24 coordinates: [ 0.750000000000000, 0.588602660000000, 0.572523125000000 ] mass: 32.065000 reduced_to: 17 - symbol: S # 25 coordinates: [ 0.000000000000000, 0.411397340000000, 0.322523125000000 ] mass: 32.065000 reduced_to: 25 - symbol: S # 26 coordinates: [ 0.500000000000000, 0.411397340000000, 0.322523125000000 ] mass: 32.065000 reduced_to: 25 - symbol: S # 27 coordinates: [ 0.000000000000000, 0.911397340000000, 0.322523125000000 ] mass: 32.065000 reduced_to: 25 - symbol: S # 28 coordinates: [ 0.500000000000000, 0.911397340000000, 0.322523125000000 ] mass: 32.065000 reduced_to: 25 - symbol: S # 29 coordinates: [ 0.000000000000000, 0.411397340000000, 0.822523125000000 ] mass: 32.065000 reduced_to: 25 - symbol: S # 30 coordinates: [ 0.500000000000000, 0.411397340000000, 0.822523125000000 ] mass: 32.065000 reduced_to: 25 - symbol: S # 31 coordinates: [ 0.000000000000000, 0.911397340000000, 0.822523125000000 ] mass: 32.065000 reduced_to: 25 - symbol: S # 32 coordinates: [ 0.500000000000000, 0.911397340000000, 0.822523125000000 ] mass: 32.065000 reduced_to: 25 - symbol: S # 33 coordinates: [ 0.131888330000000, 0.161870765000000, 0.301516310000000 ] mass: 32.065000 reduced_to: 33 - symbol: S # 34 coordinates: [ 0.631888330000000, 0.161870765000000, 0.301516310000000 ] mass: 32.065000 reduced_to: 33 - symbol: S # 35 coordinates: [ 0.131888330000000, 0.661870765000000, 0.301516310000000 ] mass: 32.065000 reduced_to: 33 - symbol: S # 36 coordinates: [ 0.631888330000000, 0.661870765000000, 0.301516310000000 ] mass: 32.065000 reduced_to: 33 - symbol: S # 37 coordinates: [ 0.131888330000000, 0.161870765000000, 0.801516310000000 ] mass: 32.065000 reduced_to: 33 - symbol: S # 38 coordinates: [ 0.631888330000000, 0.161870765000000, 0.801516310000000 ] mass: 32.065000 reduced_to: 33 - symbol: S # 39 coordinates: [ 0.131888330000000, 0.661870765000000, 0.801516310000000 ] mass: 32.065000 reduced_to: 33 - symbol: S # 40 coordinates: [ 0.631888330000000, 0.661870765000000, 0.801516310000000 ] mass: 32.065000 reduced_to: 33 - symbol: S # 41 coordinates: [ 0.381888330000000, 0.338129235000000, 0.051516310000000 ] mass: 32.065000 reduced_to: 41 - symbol: S # 42 coordinates: [ 0.881888330000000, 0.338129235000000, 0.051516310000000 ] mass: 32.065000 reduced_to: 41 - symbol: S # 43 coordinates: [ 0.381888330000000, 0.838129235000000, 0.051516310000000 ] mass: 32.065000 reduced_to: 41 - symbol: S # 44 coordinates: [ 0.881888330000000, 0.838129235000000, 0.051516310000000 ] mass: 32.065000 reduced_to: 41 - symbol: S # 45 coordinates: [ 0.381888330000000, 0.338129235000000, 0.551516310000000 ] mass: 32.065000 reduced_to: 41 - symbol: S # 46 coordinates: [ 0.881888330000000, 0.338129235000000, 0.551516310000000 ] mass: 32.065000 reduced_to: 41 - symbol: S # 47 coordinates: [ 0.381888330000000, 0.838129235000000, 0.551516310000000 ] mass: 32.065000 reduced_to: 41 - symbol: S # 48 coordinates: [ 0.881888330000000, 0.838129235000000, 0.551516310000000 ] mass: 32.065000 reduced_to: 41 - symbol: S # 49 coordinates: [ 0.118111670000000, 0.338129235000000, 0.051516310000000 ] mass: 32.065000 reduced_to: 49 - symbol: S # 50 coordinates: [ 0.618111670000000, 0.338129235000000, 0.051516310000000 ] mass: 32.065000 reduced_to: 49 - symbol: S # 51 coordinates: [ 0.118111670000000, 0.838129235000000, 0.051516310000000 ] mass: 32.065000 reduced_to: 49 - symbol: S # 52 coordinates: [ 0.618111670000000, 0.838129235000000, 0.051516310000000 ] mass: 32.065000 reduced_to: 49 - symbol: S # 53 coordinates: [ 0.118111670000000, 0.338129235000000, 0.551516310000000 ] mass: 32.065000 reduced_to: 49 - symbol: S # 54 coordinates: [ 0.618111670000000, 0.338129235000000, 0.551516310000000 ] mass: 32.065000 reduced_to: 49 - symbol: S # 55 coordinates: [ 0.118111670000000, 0.838129235000000, 0.551516310000000 ] mass: 32.065000 reduced_to: 49 - symbol: S # 56 coordinates: [ 0.618111670000000, 0.838129235000000, 0.551516310000000 ] mass: 32.065000 reduced_to: 49 - symbol: S # 57 coordinates: [ 0.368111670000000, 0.161870765000000, 0.301516310000000 ] mass: 32.065000 reduced_to: 57 - symbol: S # 58 coordinates: [ 0.868111670000000, 0.161870765000000, 0.301516310000000 ] mass: 32.065000 reduced_to: 57 - symbol: S # 59 coordinates: [ 0.368111670000000, 0.661870765000000, 0.301516310000000 ] mass: 32.065000 reduced_to: 57 - symbol: S # 60 coordinates: [ 0.868111670000000, 0.661870765000000, 0.301516310000000 ] mass: 32.065000 reduced_to: 57 - symbol: S # 61 coordinates: [ 0.368111670000000, 0.161870765000000, 0.801516310000000 ] mass: 32.065000 reduced_to: 57 - symbol: S # 62 coordinates: [ 0.868111670000000, 0.161870765000000, 0.801516310000000 ] mass: 32.065000 reduced_to: 57 - symbol: S # 63 coordinates: [ 0.368111670000000, 0.661870765000000, 0.801516310000000 ] mass: 32.065000 reduced_to: 57 - symbol: S # 64 coordinates: [ 0.868111670000000, 0.661870765000000, 0.801516310000000 ] mass: 32.065000 reduced_to: 57 - symbol: Ga # 65 coordinates: [ 0.250000000000000, 0.088139545000000, 0.245791395000000 ] mass: 69.723000 reduced_to: 65 - symbol: Ga # 66 coordinates: [ 0.750000000000000, 0.088139545000000, 0.245791395000000 ] mass: 69.723000 reduced_to: 65 - symbol: Ga # 67 coordinates: [ 0.250000000000000, 0.588139545000000, 0.245791395000000 ] mass: 69.723000 reduced_to: 65 - symbol: Ga # 68 coordinates: [ 0.750000000000000, 0.588139545000000, 0.245791395000000 ] mass: 69.723000 reduced_to: 65 - symbol: Ga # 69 coordinates: [ 0.250000000000000, 0.088139545000000, 0.745791395000000 ] mass: 69.723000 reduced_to: 65 - symbol: Ga # 70 coordinates: [ 0.750000000000000, 0.088139545000000, 0.745791395000000 ] mass: 69.723000 reduced_to: 65 - symbol: Ga # 71 coordinates: [ 0.250000000000000, 0.588139545000000, 0.745791395000000 ] mass: 69.723000 reduced_to: 65 - symbol: Ga # 72 coordinates: [ 0.750000000000000, 0.588139545000000, 0.745791395000000 ] mass: 69.723000 reduced_to: 65 - symbol: Ga # 73 coordinates: [ 0.000000000000000, 0.411860455000000, 0.495791395000000 ] mass: 69.723000 reduced_to: 73 - symbol: Ga # 74 coordinates: [ 0.500000000000000, 0.411860455000000, 0.495791395000000 ] mass: 69.723000 reduced_to: 73 - symbol: Ga # 75 coordinates: [ 0.000000000000000, 0.911860455000000, 0.495791395000000 ] mass: 69.723000 reduced_to: 73 - symbol: Ga # 76 coordinates: [ 0.500000000000000, 0.911860455000000, 0.495791395000000 ] mass: 69.723000 reduced_to: 73 - symbol: Ga # 77 coordinates: [ 0.000000000000000, 0.411860455000000, 0.995791395000000 ] mass: 69.723000 reduced_to: 73 - symbol: Ga # 78 coordinates: [ 0.500000000000000, 0.411860455000000, 0.995791395000000 ] mass: 69.723000 reduced_to: 73 - symbol: Ga # 79 coordinates: [ 0.000000000000000, 0.911860455000000, 0.995791395000000 ] mass: 69.723000 reduced_to: 73 - symbol: Ga # 80 coordinates: [ 0.500000000000000, 0.911860455000000, 0.995791395000000 ] mass: 69.723000 reduced_to: 73 - symbol: Ag # 81 coordinates: [ 0.250000000000000, 0.421804170000000, 0.495083300000000 ] mass: 107.868200 reduced_to: 81 - symbol: Ag # 82 coordinates: [ 0.750000000000000, 0.421804170000000, 0.495083300000000 ] mass: 107.868200 reduced_to: 81 - symbol: Ag # 83 coordinates: [ 0.250000000000000, 0.921804170000000, 0.495083300000000 ] mass: 107.868200 reduced_to: 81 - symbol: Ag # 84 coordinates: [ 0.750000000000000, 0.921804170000000, 0.495083300000000 ] mass: 107.868200 reduced_to: 81 - symbol: Ag # 85 coordinates: [ 0.250000000000000, 0.421804170000000, 0.995083300000000 ] mass: 107.868200 reduced_to: 81 - symbol: Ag # 86 coordinates: [ 0.750000000000000, 0.421804170000000, 0.995083300000000 ] mass: 107.868200 reduced_to: 81 - symbol: Ag # 87 coordinates: [ 0.250000000000000, 0.921804170000000, 0.995083300000000 ] mass: 107.868200 reduced_to: 81 - symbol: Ag # 88 coordinates: [ 0.750000000000000, 0.921804170000000, 0.995083300000000 ] mass: 107.868200 reduced_to: 81 - symbol: Ag # 89 coordinates: [ 0.000000000000000, 0.078195830000000, 0.245083300000000 ] mass: 107.868200 reduced_to: 89 - symbol: Ag # 90 coordinates: [ 0.500000000000000, 0.078195830000000, 0.245083300000000 ] mass: 107.868200 reduced_to: 89 - symbol: Ag # 91 coordinates: [ 0.000000000000000, 0.578195830000000, 0.245083300000000 ] mass: 107.868200 reduced_to: 89 - symbol: Ag # 92 coordinates: [ 0.500000000000000, 0.578195830000000, 0.245083300000000 ] mass: 107.868200 reduced_to: 89 - symbol: Ag # 93 coordinates: [ 0.000000000000000, 0.078195830000000, 0.745083300000000 ] mass: 107.868200 reduced_to: 89 - symbol: Ag # 94 coordinates: [ 0.500000000000000, 0.078195830000000, 0.745083300000000 ] mass: 107.868200 reduced_to: 89 - symbol: Ag # 95 coordinates: [ 0.000000000000000, 0.578195830000000, 0.745083300000000 ] mass: 107.868200 reduced_to: 89 - symbol: Ag # 96 coordinates: [ 0.500000000000000, 0.578195830000000, 0.745083300000000 ] mass: 107.868200 reduced_to: 89 - symbol: Cd # 97 coordinates: [ 0.126429110000000, 0.337276260000000, 0.243296040000000 ] mass: 112.411000 reduced_to: 97 - symbol: Cd # 98 coordinates: [ 0.626429110000000, 0.337276260000000, 0.243296040000000 ] mass: 112.411000 reduced_to: 97 - symbol: Cd # 99 coordinates: [ 0.126429110000000, 0.837276260000000, 0.243296040000000 ] mass: 112.411000 reduced_to: 97 - symbol: Cd # 100 coordinates: [ 0.626429110000000, 0.837276260000000, 0.243296040000000 ] mass: 112.411000 reduced_to: 97 - symbol: Cd # 101 coordinates: [ 0.126429110000000, 0.337276260000000, 0.743296040000000 ] mass: 112.411000 reduced_to: 97 - symbol: Cd # 102 coordinates: [ 0.626429110000000, 0.337276260000000, 0.743296040000000 ] mass: 112.411000 reduced_to: 97 - symbol: Cd # 103 coordinates: [ 0.126429110000000, 0.837276260000000, 0.743296040000000 ] mass: 112.411000 reduced_to: 97 - symbol: Cd # 104 coordinates: [ 0.626429110000000, 0.837276260000000, 0.743296040000000 ] mass: 112.411000 reduced_to: 97 - symbol: Cd # 105 coordinates: [ 0.376429110000000, 0.162723740000000, 0.493296040000000 ] mass: 112.411000 reduced_to: 105 - symbol: Cd # 106 coordinates: [ 0.876429110000000, 0.162723740000000, 0.493296040000000 ] mass: 112.411000 reduced_to: 105 - symbol: Cd # 107 coordinates: [ 0.376429110000000, 0.662723740000000, 0.493296040000000 ] mass: 112.411000 reduced_to: 105 - symbol: Cd # 108 coordinates: [ 0.876429110000000, 0.662723740000000, 0.493296040000000 ] mass: 112.411000 reduced_to: 105 - symbol: Cd # 109 coordinates: [ 0.376429110000000, 0.162723740000000, 0.993296040000000 ] mass: 112.411000 reduced_to: 105 - symbol: Cd # 110 coordinates: [ 0.876429110000000, 0.162723740000000, 0.993296040000000 ] mass: 112.411000 reduced_to: 105 - symbol: Cd # 111 coordinates: [ 0.376429110000000, 0.662723740000000, 0.993296040000000 ] mass: 112.411000 reduced_to: 105 - symbol: Cd # 112 coordinates: [ 0.876429110000000, 0.662723740000000, 0.993296040000000 ] mass: 112.411000 reduced_to: 105 - symbol: Cd # 113 coordinates: [ 0.373570890000000, 0.337276260000000, 0.243296040000000 ] mass: 112.411000 reduced_to: 113 - symbol: Cd # 114 coordinates: [ 0.873570890000000, 0.337276260000000, 0.243296040000000 ] mass: 112.411000 reduced_to: 113 - symbol: Cd # 115 coordinates: [ 0.373570890000000, 0.837276260000000, 0.243296040000000 ] mass: 112.411000 reduced_to: 113 - symbol: Cd # 116 coordinates: [ 0.873570890000000, 0.837276260000000, 0.243296040000000 ] mass: 112.411000 reduced_to: 113 - symbol: Cd # 117 coordinates: [ 0.373570890000000, 0.337276260000000, 0.743296040000000 ] mass: 112.411000 reduced_to: 113 - symbol: Cd # 118 coordinates: [ 0.873570890000000, 0.337276260000000, 0.743296040000000 ] mass: 112.411000 reduced_to: 113 - symbol: Cd # 119 coordinates: [ 0.373570890000000, 0.837276260000000, 0.743296040000000 ] mass: 112.411000 reduced_to: 113 - symbol: Cd # 120 coordinates: [ 0.873570890000000, 0.837276260000000, 0.743296040000000 ] mass: 112.411000 reduced_to: 113 - symbol: Cd # 121 coordinates: [ 0.123570890000000, 0.162723740000000, 0.493296040000000 ] mass: 112.411000 reduced_to: 121 - symbol: Cd # 122 coordinates: [ 0.623570890000000, 0.162723740000000, 0.493296040000000 ] mass: 112.411000 reduced_to: 121 - symbol: Cd # 123 coordinates: [ 0.123570890000000, 0.662723740000000, 0.493296040000000 ] mass: 112.411000 reduced_to: 121 - symbol: Cd # 124 coordinates: [ 0.623570890000000, 0.662723740000000, 0.493296040000000 ] mass: 112.411000 reduced_to: 121 - symbol: Cd # 125 coordinates: [ 0.123570890000000, 0.162723740000000, 0.993296040000000 ] mass: 112.411000 reduced_to: 121 - symbol: Cd # 126 coordinates: [ 0.623570890000000, 0.162723740000000, 0.993296040000000 ] mass: 112.411000 reduced_to: 121 - symbol: Cd # 127 coordinates: [ 0.123570890000000, 0.662723740000000, 0.993296040000000 ] mass: 112.411000 reduced_to: 121 - symbol: Cd # 128 coordinates: [ 0.623570890000000, 0.662723740000000, 0.993296040000000 ] mass: 112.411000 reduced_to: 121born_effective_charge:- # 1 (S) - [ -1.991692470000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, -2.726382010000000, -0.164958930000000 ] - [ 0.000000000000000, -0.133503900000000, -1.518184090000000 ]- # 2 (S) - [ -1.991692470000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, -2.726382010000000, 0.164958930000000 ] - [ 0.000000000000000, 0.133503900000000, -1.518184090000000 ]- # 3 (S) - [ -2.099297470000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, -1.440886080000000, 0.195279730000000 ] - [ 0.000000000000000, 0.272890930000000, -2.811388560000000 ]- # 4 (S) - [ -2.099297470000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, -1.440886080000000, -0.195279730000000 ] - [ 0.000000000000000, -0.272890930000000, -2.811388560000000 ]- # 5 (S) - [ -2.325133660000000, 0.591811420000000, 0.441322330000000 ] - [ 0.490229260000000, -2.055160110000000, -0.017727250000000 ] - [ 0.386863190000000, 0.013150080000000, -2.177084210000000 ]- # 6 (S) - [ -2.325133660000000, -0.591811420000000, 0.441322330000000 ] - [ -0.490229260000000, -2.055160110000000, 0.017727250000000 ] - [ 0.386863190000000, -0.013150080000000, -2.177084210000000 ]- # 7 (S) - [ -2.325133660000000, 0.591811420000000, -0.441322330000000 ] - [ 0.490229260000000, -2.055160110000000, 0.017727250000000 ] - [ -0.386863190000000, -0.013150080000000, -2.177084210000000 ]- # 8 (S) - [ -2.325133660000000, -0.591811420000000, -0.441322330000000 ] - [ -0.490229260000000, -2.055160110000000, -0.017727250000000 ] - [ -0.386863190000000, 0.013150080000000, -2.177084210000000 ]- # 9 (Ga) - [ 2.715323220000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 2.525896190000000, -0.125304120000000 ] - [ 0.000000000000000, 0.026265500000000, 2.741214520000000 ]- # 10 (Ga) - [ 2.715323220000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 2.525896190000000, 0.125304120000000 ] - [ 0.000000000000000, -0.026265500000000, 2.741214520000000 ]- # 11 (Ag) - [ 1.437784730000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 1.106900690000000, 0.040472040000000 ] - [ 0.000000000000000, -0.057391060000000, 1.226019220000000 ]- # 12 (Ag) - [ 1.437784730000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 1.106900690000000, -0.040472040000000 ] - [ 0.000000000000000, 0.057391060000000, 1.226019220000000 ]- # 13 (Cd) - [ 2.294074660000000, -0.011771520000000, 0.091304100000000 ] - [ 0.061375400000000, 2.322395700000000, -0.008423370000000 ] - [ -0.049265950000000, 0.026219690000000, 2.358253670000000 ]- # 14 (Cd) - [ 2.294074660000000, 0.011771520000000, 0.091304100000000 ] - [ -0.061375400000000, 2.322395700000000, 0.008423370000000 ] - [ -0.049265950000000, -0.026219690000000, 2.358253670000000 ]- # 15 (Cd) - [ 2.294074660000000, 0.011771520000000, -0.091304100000000 ] - [ -0.061375400000000, 2.322395700000000, -0.008423370000000 ] - [ 0.049265950000000, 0.026219690000000, 2.358253670000000 ]- # 16 (Cd) - [ 2.294074660000000, -0.011771520000000, -0.091304100000000 ] - [ 0.061375400000000, 2.322395700000000, 0.008423370000000 ] - [ 0.049265950000000, -0.026219690000000, 2.358253670000000 ]dielectric_constant: - [ 8.940557090000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 8.827355480000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 8.579154369999999 ]displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0836432800000000, -0.0124990600000000, 0.0008317600000000 ] - [ 0.0015651900000000, -0.0114856700000000, 0.0002917300000000 ] - [ -0.0006865700000000, -0.0114878400000000, 0.0002918500000000 ] - [ 0.0003806200000000, -0.0114839700000000, 0.0002905800000000 ] - [ -0.0003356600000000, -0.0115160600000000, 0.0002802000000000 ] - [ 0.0003103700000000, -0.0114865700000000, 0.0002898400000000 ] - [ -0.0002404400000000, -0.0114771200000000, 0.0002928000000000 ] - [ 0.0001730400000000, -0.0115151700000000, 0.0002793800000000 ] - [ 0.0000471600000000, 0.0115574400000000, 0.0003524000000000 ] - [ 0.0000454300000000, 0.0114625300000000, 0.0002095900000000 ] - [ 0.0000817200000000, 0.0112184200000000, 0.0005576600000000 ] - [ 0.0000813100000000, 0.0117749700000000, 0.0000146800000000 ] - [ 0.0000451700000000, 0.0116745000000000, 0.0002416000000000 ] - [ 0.0000465500000000, 0.0113099100000000, 0.0003342900000000 ] - [ 0.0000796500000000, 0.0112417000000000, 0.0002001400000000 ] - [ 0.0000830400000000, 0.0117484600000000, 0.0003731000000000 ] - [ 0.0061816500000000, 0.0045033600000000, 0.0076755500000000 ] - [ 0.0060917700000000, 0.0035989000000000, 0.0062462500000000 ] - [ 0.0006778900000000, 0.0038333500000000, 0.0072602500000000 ] - [ 0.0006761500000000, 0.0042719700000000, 0.0066729800000000 ] - [ 0.0002304900000000, 0.0039545200000000, 0.0066886000000000 ] - [ 0.0002331900000000, 0.0041523800000000, 0.0072145100000000 ] - [ 0.0000340700000000, 0.0040906800000000, 0.0069031400000000 ] - [ 0.0000333700000000, 0.0040154300000000, 0.0069916000000000 ] - [ -0.0003946100000000, -0.0040528000000000, 0.0069321300000000 ] - [ 0.0002630700000000, -0.0040539400000000, 0.0069721200000000 ] - [ -0.0006664600000000, -0.0040520200000000, 0.0069633000000000 ] - [ 0.0002705100000000, -0.0040522300000000, 0.0069424100000000 ] - [ -0.0004535600000000, -0.0040531900000000, 0.0069383800000000 ] - [ 0.0002711100000000, -0.0040541800000000, 0.0069374000000000 ] - [ -0.0015708800000000, -0.0040488400000000, 0.0069742700000000 ] - [ 0.0002639200000000, -0.0040541400000000, 0.0069388100000000 ] - [ -0.0085465900000000, 0.0049107300000000, 0.0022534400000000 ] - [ -0.0093511000000000, 0.0034806300000000, 0.0000269100000000 ] - [ -0.0098888100000000, 0.0035609300000000, 0.0008149300000000 ] - [ -0.0096164900000000, 0.0036538200000000, 0.0004129300000000 ] - [ -0.0081784600000000, 0.0049273400000000, -0.0016134700000000 ] - [ -0.0094251300000000, 0.0035777100000000, 0.0005908900000000 ] - [ -0.0098557100000000, 0.0036070600000000, 0.0002850700000000 ] - [ -0.0096581500000000, 0.0036531300000000, 0.0005396600000000 ] - [ -0.0092991700000000, -0.0034290600000000, 0.0004351300000000 ] - [ -0.0095892000000000, -0.0052035700000000, 0.0008276400000000 ] - [ -0.0094555700000000, -0.0035989400000000, 0.0004388700000000 ] - [ -0.0079975800000000, 0.0022127000000000, 0.0008031500000000 ] - [ -0.0095563800000000, -0.0035484400000000, 0.0005014500000000 ] - [ -0.0101584500000000, -0.0039752300000000, 0.0006639600000000 ] - [ -0.0095834900000000, -0.0036783700000000, 0.0004899400000000 ] - [ -0.0099961000000000, -0.0037374800000000, 0.0005342400000000 ] - [ 0.0100183300000000, -0.0021632100000000, 0.0002133500000000 ] - [ 0.0102969700000000, -0.0039428600000000, 0.0006106500000000 ] - [ 0.0115459600000000, -0.0095831500000000, 0.0002270600000000 ] - [ 0.0101462100000000, -0.0037762400000000, 0.0006075700000000 ] - [ 0.0094507400000000, -0.0034030000000000, 0.0003870700000000 ] - [ 0.0099827100000000, -0.0037982900000000, 0.0005260100000000 ] - [ 0.0095405400000000, -0.0036083900000000, 0.0004939900000000 ] - [ 0.0100101100000000, -0.0036907400000000, 0.0005535200000000 ] - [ 0.0102211100000000, 0.0038818900000000, 0.0010156900000000 ] - [ 0.0110189900000000, 0.0024513200000000, -0.0012115800000000 ] - [ 0.0099324500000000, 0.0036945900000000, 0.0006194300000000 ] - [ 0.0096602300000000, 0.0037874300000000, 0.0002171700000000 ] - [ 0.0101511300000000, 0.0037850700000000, 0.0004477900000000 ] - [ 0.0113938000000000, 0.0024443500000000, 0.0026415800000000 ] - [ 0.0099213100000000, 0.0037122000000000, 0.0005015300000000 ] - [ 0.0097273200000000, 0.0037595900000000, 0.0007564700000000 ] - [ -0.0000345900000000, -0.0079291900000000, -0.0028413600000000 ] - [ -0.0000338700000000, -0.0081051200000000, 0.0004936200000000 ] - [ -0.0000356800000000, -0.0081325700000000, -0.0015945100000000 ] - [ -0.0000371700000000, -0.0079074300000000, -0.0007478900000000 ] - [ -0.0008431200000000, -0.0074357200000000, -0.0011373300000000 ] - [ -0.0008509000000000, -0.0086027300000000, -0.0012064800000000 ] - [ -0.0000917700000000, -0.0081820800000000, -0.0011267300000000 ] - [ -0.0000935900000000, -0.0078587400000000, -0.0012188000000000 ] - [ 0.0006367500000000, 0.0080233500000000, -0.0011714100000000 ] - [ -0.0003426700000000, 0.0080223100000000, -0.0011715100000000 ] - [ 0.0001107700000000, 0.0080241200000000, -0.0011719100000000 ] - [ -0.0002713100000000, 0.0080227200000000, -0.0011711500000000 ] - [ 0.0015233200000000, 0.0080243900000000, -0.0011726900000000 ] - [ -0.0007715300000000, 0.0080232300000000, -0.0011703300000000 ] - [ 0.0071845300000000, 0.0081663300000000, -0.0011477600000000 ] - [ -0.0005039400000000, 0.0080252700000000, -0.0011709900000000 ] - [ -0.0000346900000000, 0.0005741000000000, -0.0047999100000000 ] - [ -0.0000352100000000, 0.0005741600000000, -0.0047218700000000 ] - [ 0.0000158000000000, 0.0007128200000000, -0.0048492900000000 ] - [ 0.0000136600000000, 0.0004338400000000, -0.0046741800000000 ] - [ -0.0001090900000000, 0.0006183100000000, -0.0048016500000000 ] - [ -0.0001086600000000, 0.0005256100000000, -0.0047185000000000 ] - [ -0.0004165800000000, 0.0008902900000000, -0.0043280200000000 ] - [ -0.0004190900000000, 0.0002587400000000, -0.0051884800000000 ] - [ -0.0007152600000000, -0.0005626200000000, -0.0048136100000000 ] - [ -0.0003387900000000, -0.0005739100000000, -0.0047616300000000 ] - [ 0.0001591000000000, -0.0005755200000000, -0.0047628700000000 ] - [ -0.0001164700000000, -0.0005756000000000, -0.0047598600000000 ] - [ 0.0005882800000000, -0.0005758700000000, -0.0047600100000000 ] - [ -0.0002244200000000, -0.0005752700000000, -0.0047630900000000 ] - [ 0.0001555600000000, -0.0005739700000000, -0.0047611800000000 ] - [ -0.0001069500000000, -0.0005755800000000, -0.0047609500000000 ] - [ -0.0022104800000000, -0.0025337300000000, -0.0014217800000000 ] - [ -0.0027339500000000, -0.0019314700000000, -0.0010740400000000 ] - [ -0.0022418000000000, -0.0020664800000000, -0.0021659800000000 ] - [ -0.0028263100000000, -0.0022098700000000, -0.0010920300000000 ] - [ -0.0021073600000000, -0.0029524100000000, -0.0011324300000000 ] - [ -0.0027366100000000, -0.0019842500000000, -0.0012036900000000 ] - [ -0.0020407400000000, -0.0021848800000000, -0.0010452300000000 ] - [ -0.0027926100000000, -0.0021771400000000, -0.0012077600000000 ] - [ -0.0028216800000000, 0.0021109200000000, -0.0013983200000000 ] - [ -0.0020546100000000, 0.0019911500000000, -0.0007968900000000 ] - [ -0.0026329700000000, 0.0021752400000000, -0.0012347800000000 ] - [ -0.0023411100000000, 0.0021387700000000, -0.0010311500000000 ] - [ -0.0038572100000000, 0.0015919400000000, -0.0003868600000000 ] - [ 0.0244953600000000, -0.0141863600000000, 0.0109729800000000 ] - [ -0.0028847100000000, 0.0021685200000000, -0.0010761100000000 ] - [ -0.0020202400000000, 0.0007315200000000, -0.0018176500000000 ] - [ 0.0022548400000000, -0.0023403100000000, -0.0012716600000000 ] - [ 0.0027788500000000, -0.0017413200000000, -0.0009205000000000 ] - [ 0.0021618700000000, -0.0020588000000000, -0.0012532600000000 ] - [ 0.0027469600000000, -0.0022017500000000, -0.0001751700000000 ] - [ 0.0022536100000000, -0.0022851900000000, -0.0011410900000000 ] - [ 0.0028814400000000, -0.0013147500000000, -0.0012150400000000 ] - [ 0.0021971600000000, -0.0020933600000000, -0.0011378500000000 ] - [ 0.0029439000000000, -0.0020863900000000, -0.0012996700000000 ] - [ 0.0029369900000000, 0.0022781100000000, -0.0015538800000000 ] - [ 0.0021661400000000, 0.0021575000000000, -0.0009494000000000 ] - [ 0.0026485900000000, 0.0021293200000000, -0.0013141500000000 ] - [ 0.0023583800000000, 0.0020933000000000, -0.0011103400000000 ] - [ 0.0303856300000000, 0.0192958200000000, -0.0138424100000000 ] - [ 0.0011332600000000, 0.0026714800000000, -0.0019512800000000 ] - [ 0.0029676500000000, 0.0035363700000000, -0.0005268800000000 ] - [ 0.0021028300000000, 0.0021016100000000, -0.0012686900000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, -0.1196132000000000, -0.0085179000000000 ] - [ 0.0000000000000000, -0.0117274200000000, 0.0002696100000000 ] - [ 0.0000000000000000, -0.0095523500000000, 0.0003893400000000 ] - [ 0.0000000000000000, -0.0112990900000000, 0.0002974300000000 ] - [ 0.0000000000000000, -0.0120100800000000, 0.0002794000000000 ] - [ 0.0000000000000000, -0.0116087500000000, 0.0002865000000000 ] - [ 0.0000000000000000, -0.0110451200000000, 0.0003723900000000 ] - [ 0.0000000000000000, -0.0113788300000000, 0.0003068800000000 ] - [ 0.0001784200000000, 0.0119168300000000, 0.0003841800000000 ] - [ -0.0001784200000000, 0.0119168300000000, 0.0003841800000000 ] - [ -0.0002329600000000, 0.0109944200000000, 0.0001729600000000 ] - [ 0.0002329600000000, 0.0109944200000000, 0.0001729600000000 ] - [ 0.0000500600000000, 0.0119179000000000, 0.0002104400000000 ] - [ -0.0000500600000000, 0.0119179000000000, 0.0002104400000000 ] - [ -0.0002826000000000, 0.0109953800000000, 0.0003968100000000 ] - [ 0.0002826000000000, 0.0109953800000000, 0.0003968100000000 ] - [ 0.0007920600000000, 0.0038731800000000, 0.0066874900000000 ] - [ -0.0007920600000000, 0.0038731800000000, 0.0066874900000000 ] - [ -0.0003528000000000, 0.0053178100000000, 0.0067945000000000 ] - [ 0.0003528000000000, 0.0053178100000000, 0.0067945000000000 ] - [ 0.0002460300000000, 0.0038073100000000, 0.0068274300000000 ] - [ -0.0002460300000000, 0.0038073100000000, 0.0068274300000000 ] - [ -0.0001414600000000, 0.0041909500000000, 0.0069577300000000 ] - [ 0.0001414600000000, 0.0041909500000000, 0.0069577300000000 ] - [ 0.0000000000000000, -0.0038024900000000, 0.0073198700000000 ] - [ 0.0000000000000000, -0.0039933500000000, 0.0069684000000000 ] - [ 0.0000000000000000, -0.0023547500000000, 0.0043761800000000 ] - [ 0.0000000000000000, -0.0041039500000000, 0.0069002800000000 ] - [ 0.0000000000000000, -0.0036823900000000, 0.0065314800000000 ] - [ 0.0000000000000000, -0.0039883900000000, 0.0069200700000000 ] - [ 0.0000000000000000, -0.0012184900000000, 0.0111006200000000 ] - [ 0.0000000000000000, -0.0041142100000000, 0.0069376900000000 ] - [ -0.0080283200000000, 0.0037761300000000, 0.0021187700000000 ] - [ -0.0099782400000000, 0.0036039500000000, 0.0005121200000000 ] - [ -0.0099776500000000, 0.0040617400000000, 0.0002868400000000 ] - [ -0.0097679600000000, 0.0037547700000000, 0.0004868100000000 ] - [ -0.0080789400000000, 0.0034108200000000, -0.0007982400000000 ] - [ -0.0099206100000000, 0.0035773900000000, 0.0005150900000000 ] - [ -0.0102259900000000, 0.0043026900000000, 0.0009133700000000 ] - [ -0.0097327400000000, 0.0037724400000000, 0.0005404800000000 ] - [ -0.0098089700000000, -0.0034992600000000, 0.0004833900000000 ] - [ -0.0116766800000000, 0.0012605700000000, 0.0010376100000000 ] - [ -0.0099428400000000, -0.0037897200000000, 0.0005631800000000 ] - [ -0.0062138600000000, 0.0042546900000000, 0.0010498800000000 ] - [ -0.0097706300000000, -0.0036394500000000, 0.0005082200000000 ] - [ -0.0097246700000000, -0.0035250400000000, 0.0005144500000000 ] - [ -0.0098497300000000, -0.0037293600000000, 0.0005470400000000 ] - [ -0.0095130300000000, -0.0035806900000000, 0.0006477600000000 ] - [ 0.0116766800000000, 0.0012605700000000, 0.0010376100000000 ] - [ 0.0098089700000000, -0.0034992600000000, 0.0004833900000000 ] - [ 0.0062138600000000, 0.0042546900000000, 0.0010498800000000 ] - [ 0.0099428400000000, -0.0037897200000000, 0.0005631800000000 ] - [ 0.0097246700000000, -0.0035250400000000, 0.0005144500000000 ] - [ 0.0097706300000000, -0.0036394500000000, 0.0005082200000000 ] - [ 0.0095130300000000, -0.0035806900000000, 0.0006477600000000 ] - [ 0.0098497300000000, -0.0037293600000000, 0.0005470400000000 ] - [ 0.0099782400000000, 0.0036039500000000, 0.0005121200000000 ] - [ 0.0080283200000000, 0.0037761300000000, 0.0021187700000000 ] - [ 0.0097679600000000, 0.0037547700000000, 0.0004868100000000 ] - [ 0.0099776500000000, 0.0040617400000000, 0.0002868400000000 ] - [ 0.0099206100000000, 0.0035773900000000, 0.0005150900000000 ] - [ 0.0080789400000000, 0.0034108200000000, -0.0007982400000000 ] - [ 0.0097327400000000, 0.0037724400000000, 0.0005404800000000 ] - [ 0.0102259900000000, 0.0043026900000000, 0.0009133700000000 ] - [ -0.0004675100000000, -0.0072541000000000, -0.0011477900000000 ] - [ 0.0004675100000000, -0.0072541000000000, -0.0011477900000000 ] - [ 0.0002474100000000, -0.0084199000000000, -0.0009515900000000 ] - [ -0.0002474100000000, -0.0084199000000000, -0.0009515900000000 ] - [ -0.0008248600000000, -0.0068649300000000, -0.0013188100000000 ] - [ 0.0008248600000000, -0.0068649300000000, -0.0013188100000000 ] - [ 0.0005389800000000, -0.0085875000000000, -0.0012360800000000 ] - [ -0.0005389800000000, -0.0085875000000000, -0.0012360800000000 ] - [ 0.0000000000000000, 0.0076550100000000, -0.0014723000000000 ] - [ 0.0000000000000000, 0.0078868600000000, -0.0012003600000000 ] - [ 0.0000000000000000, 0.0088708300000000, -0.0002686800000000 ] - [ 0.0000000000000000, 0.0082208700000000, -0.0011556600000000 ] - [ 0.0000000000000000, 0.0057533300000000, -0.0003641600000000 ] - [ 0.0000000000000000, 0.0077237800000000, -0.0011009100000000 ] - [ 0.0000000000000000, 0.0636111700000000, 0.0176987400000000 ] - [ 0.0000000000000000, 0.0085333900000000, -0.0012517600000000 ] - [ -0.0000332000000000, 0.0004813800000000, -0.0047983200000000 ] - [ 0.0000332000000000, 0.0004813800000000, -0.0047983200000000 ] - [ 0.0001058900000000, 0.0007351300000000, -0.0047241900000000 ] - [ -0.0001058900000000, 0.0007351300000000, -0.0047241900000000 ] - [ -0.0005606100000000, 0.0000814100000000, -0.0046859500000000 ] - [ 0.0005606100000000, 0.0000814100000000, -0.0046859500000000 ] - [ 0.0006541500000000, 0.0010255100000000, -0.0048571700000000 ] - [ -0.0006541500000000, 0.0010255100000000, -0.0048571700000000 ] - [ 0.0000000000000000, -0.0007288500000000, -0.0046477200000000 ] - [ 0.0000000000000000, -0.0004569900000000, -0.0047737600000000 ] - [ 0.0000000000000000, -0.0008138100000000, -0.0047135900000000 ] - [ 0.0000000000000000, -0.0006316700000000, -0.0047432000000000 ] - [ 0.0000000000000000, 0.0001073900000000, -0.0049624200000000 ] - [ 0.0000000000000000, -0.0004759700000000, -0.0047521100000000 ] - [ 0.0000000000000000, -0.0008897900000000, -0.0047899100000000 ] - [ 0.0000000000000000, -0.0006418800000000, -0.0047641900000000 ] - [ -0.0027429800000000, -0.0024357600000000, -0.0023425300000000 ] - [ -0.0024326900000000, -0.0021663900000000, -0.0012201700000000 ] - [ -0.0018857800000000, -0.0021667000000000, 0.0003942500000000 ] - [ -0.0025804900000000, -0.0021729400000000, -0.0010723900000000 ] - [ -0.0025723500000000, -0.0024835500000000, -0.0010101400000000 ] - [ -0.0024361400000000, -0.0021378200000000, -0.0011598800000000 ] - [ -0.0011206900000000, -0.0024037100000000, -0.0015662700000000 ] - [ -0.0026164300000000, -0.0022224500000000, -0.0012101600000000 ] - [ -0.0026101700000000, 0.0020959400000000, -0.0012177600000000 ] - [ -0.0028498600000000, 0.0023183500000000, -0.0016221800000000 ] - [ -0.0024330200000000, 0.0021129100000000, -0.0011639000000000 ] - [ -0.0025062000000000, 0.0018385400000000, -0.0010512500000000 ] - [ -0.0026540900000000, 0.0021169500000000, -0.0010981100000000 ] - [ -0.0178628200000000, 0.0138364200000000, -0.0079143500000000 ] - [ -0.0023726400000000, 0.0020538200000000, -0.0012023500000000 ] - [ -0.0022643800000000, -0.0005214600000000, -0.0019193200000000 ] - [ 0.0024326900000000, -0.0021663900000000, -0.0012201700000000 ] - [ 0.0027429800000000, -0.0024357600000000, -0.0023425300000000 ] - [ 0.0025804900000000, -0.0021729400000000, -0.0010723900000000 ] - [ 0.0018857800000000, -0.0021667000000000, 0.0003942500000000 ] - [ 0.0024361400000000, -0.0021378200000000, -0.0011598800000000 ] - [ 0.0025723500000000, -0.0024835500000000, -0.0010101400000000 ] - [ 0.0026164300000000, -0.0022224500000000, -0.0012101600000000 ] - [ 0.0011206900000000, -0.0024037100000000, -0.0015662700000000 ] - [ 0.0028498600000000, 0.0023183500000000, -0.0016221800000000 ] - [ 0.0026101700000000, 0.0020959400000000, -0.0012177600000000 ] - [ 0.0025062000000000, 0.0018385400000000, -0.0010512500000000 ] - [ 0.0024330200000000, 0.0021129100000000, -0.0011639000000000 ] - [ 0.0178628200000000, 0.0138364200000000, -0.0079143500000000 ] - [ 0.0026540900000000, 0.0021169500000000, -0.0010981100000000 ] - [ 0.0022643800000000, -0.0005214600000000, -0.0019193200000000 ] - [ 0.0023726400000000, 0.0020538200000000, -0.0012023500000000 ]- atom: 1 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, 0.0993367300000000, 0.0108258500000000 ] - [ 0.0000000000000000, -0.0112567600000000, 0.0003182000000000 ] - [ 0.0000000000000000, -0.0134374000000000, 0.0001951000000000 ] - [ 0.0000000000000000, -0.0116879700000000, 0.0002887200000000 ] - [ 0.0000000000000000, -0.0109711000000000, 0.0003092000000000 ] - [ 0.0000000000000000, -0.0113785800000000, 0.0002987600000000 ] - [ 0.0000000000000000, -0.0119421500000000, 0.0002146400000000 ] - [ 0.0000000000000000, -0.0116071700000000, 0.0002799800000000 ] - [ -0.0001770300000000, 0.0110678200000000, 0.0002031400000000 ] - [ 0.0001770300000000, 0.0110678200000000, 0.0002031400000000 ] - [ 0.0002346500000000, 0.0119943600000000, 0.0004134900000000 ] - [ -0.0002346500000000, 0.0119943600000000, 0.0004134900000000 ] - [ -0.0000493300000000, 0.0110675800000000, 0.0003759100000000 ] - [ 0.0000493300000000, 0.0110675800000000, 0.0003759100000000 ] - [ 0.0002830200000000, 0.0119944800000000, 0.0001895200000000 ] - [ -0.0002830200000000, 0.0119944800000000, 0.0001895200000000 ] - [ -0.0008222200000000, 0.0042200400000000, 0.0071902100000000 ] - [ 0.0008222200000000, 0.0042200400000000, 0.0071902100000000 ] - [ 0.0003608800000000, 0.0027698400000000, 0.0071008700000000 ] - [ -0.0003608800000000, 0.0027698400000000, 0.0071008700000000 ] - [ -0.0002472100000000, 0.0042863200000000, 0.0070646200000000 ] - [ 0.0002472100000000, 0.0042863200000000, 0.0070646200000000 ] - [ 0.0001417500000000, 0.0039011000000000, 0.0069364300000000 ] - [ -0.0001417500000000, 0.0039011000000000, 0.0069364300000000 ] - [ 0.0000000000000000, -0.0042911500000000, 0.0065763100000000 ] - [ 0.0000000000000000, -0.0040999000000000, 0.0069232300000000 ] - [ 0.0000000000000000, -0.0057352300000000, 0.0095089400000000 ] - [ 0.0000000000000000, -0.0039872100000000, 0.0069934600000000 ] - [ 0.0000000000000000, -0.0044116100000000, 0.0073581100000000 ] - [ 0.0000000000000000, -0.0041049600000000, 0.0069704900000000 ] - [ 0.0000000000000000, -0.0068953300000000, 0.0027513900000000 ] - [ 0.0000000000000000, -0.0039777400000000, 0.0069556200000000 ] - [ -0.0115602600000000, 0.0035735600000000, -0.0011016100000000 ] - [ -0.0096101000000000, 0.0037550800000000, 0.0005204500000000 ] - [ -0.0096100200000000, 0.0032966300000000, 0.0007509200000000 ] - [ -0.0098211100000000, 0.0036044500000000, 0.0005490000000000 ] - [ -0.0115117700000000, 0.0039405400000000, 0.0018410100000000 ] - [ -0.0096664700000000, 0.0037817100000000, 0.0005209100000000 ] - [ -0.0093606800000000, 0.0030549800000000, 0.0001178300000000 ] - [ -0.0098542400000000, 0.0035864900000000, 0.0004941500000000 ] - [ -0.0097811800000000, -0.0038630800000000, 0.0005515200000000 ] - [ -0.0079334500000000, -0.0085578900000000, 0.0000081000000000 ] - [ -0.0096427300000000, -0.0035678300000000, 0.0004707300000000 ] - [ -0.0134596000000000, -0.0117323800000000, -0.0000200600000000 ] - [ -0.0098183100000000, -0.0037220300000000, 0.0005260000000000 ] - [ -0.0098651000000000, -0.0038382400000000, 0.0005204300000000 ] - [ -0.0097366900000000, -0.0036290300000000, 0.0004862300000000 ] - [ -0.0100769300000000, -0.0037797900000000, 0.0003849400000000 ] - [ 0.0079334500000000, -0.0085578900000000, 0.0000081000000000 ] - [ 0.0097811800000000, -0.0038630800000000, 0.0005515200000000 ] - [ 0.0134596000000000, -0.0117323800000000, -0.0000200600000000 ] - [ 0.0096427300000000, -0.0035678300000000, 0.0004707300000000 ] - [ 0.0098651000000000, -0.0038382400000000, 0.0005204300000000 ] - [ 0.0098183100000000, -0.0037220300000000, 0.0005260000000000 ] - [ 0.0100769300000000, -0.0037797900000000, 0.0003849400000000 ] - [ 0.0097366900000000, -0.0036290300000000, 0.0004862300000000 ] - [ 0.0096101000000000, 0.0037550800000000, 0.0005204500000000 ] - [ 0.0115602600000000, 0.0035735600000000, -0.0011016100000000 ] - [ 0.0098211100000000, 0.0036044500000000, 0.0005490000000000 ] - [ 0.0096100200000000, 0.0032966300000000, 0.0007509200000000 ] - [ 0.0096664700000000, 0.0037817100000000, 0.0005209100000000 ] - [ 0.0115117700000000, 0.0039405400000000, 0.0018410100000000 ] - [ 0.0098542400000000, 0.0035864900000000, 0.0004941500000000 ] - [ 0.0093606800000000, 0.0030549800000000, 0.0001178300000000 ] - [ 0.0004657900000000, -0.0087939000000000, -0.0011851500000000 ] - [ -0.0004657900000000, -0.0087939000000000, -0.0011851500000000 ] - [ -0.0002493400000000, -0.0076246200000000, -0.0013978800000000 ] - [ 0.0002493400000000, -0.0076246200000000, -0.0013978800000000 ] - [ 0.0008291800000000, -0.0091882400000000, -0.0010271800000000 ] - [ -0.0008291800000000, -0.0091882400000000, -0.0010271800000000 ] - [ -0.0005408300000000, -0.0074560300000000, -0.0011070600000000 ] - [ 0.0005408300000000, -0.0074560300000000, -0.0011070600000000 ] - [ 0.0000000000000000, 0.0083992400000000, -0.0008725300000000 ] - [ 0.0000000000000000, 0.0081683200000000, -0.0011446700000000 ] - [ 0.0000000000000000, 0.0071810600000000, -0.0020783200000000 ] - [ 0.0000000000000000, 0.0078312000000000, -0.0011900800000000 ] - [ 0.0000000000000000, 0.0103013600000000, -0.0019743500000000 ] - [ 0.0000000000000000, 0.0083309900000000, -0.0012443500000000 ] - [ 0.0000000000000000, -0.0503457600000000, -0.0212486100000000 ] - [ 0.0000000000000000, 0.0075137700000000, -0.0010914300000000 ] - [ 0.0000329200000000, 0.0006636300000000, -0.0047202100000000 ] - [ -0.0000329200000000, 0.0006636300000000, -0.0047202100000000 ] - [ -0.0001057500000000, 0.0004077200000000, -0.0047949900000000 ] - [ 0.0001057500000000, 0.0004077200000000, -0.0047949900000000 ] - [ 0.0005549900000000, 0.0010626600000000, -0.0048291400000000 ] - [ -0.0005549900000000, 0.0010626600000000, -0.0048291400000000 ] - [ -0.0006614300000000, 0.0001114500000000, -0.0046600800000000 ] - [ 0.0006614300000000, 0.0001114500000000, -0.0046600800000000 ] - [ 0.0000000000000000, -0.0004166900000000, -0.0049207300000000 ] - [ 0.0000000000000000, -0.0006899200000000, -0.0047420400000000 ] - [ 0.0000000000000000, -0.0003343000000000, -0.0048064100000000 ] - [ 0.0000000000000000, -0.0005155100000000, -0.0047746800000000 ] - [ 0.0000000000000000, -0.0012586000000000, -0.0045522600000000 ] - [ 0.0000000000000000, -0.0006713800000000, -0.0047655800000000 ] - [ 0.0000000000000000, -0.0002572800000000, -0.0047274600000000 ] - [ 0.0000000000000000, -0.0005055000000000, -0.0047533800000000 ] - [ -0.0022454500000000, -0.0018261600000000, -0.0000071100000000 ] - [ -0.0025542700000000, -0.0020975400000000, -0.0011223100000000 ] - [ -0.0031048400000000, -0.0021014600000000, -0.0027498100000000 ] - [ -0.0024066800000000, -0.0020939700000000, -0.0012708400000000 ] - [ -0.0024168200000000, -0.0017761400000000, -0.0013321400000000 ] - [ -0.0025513300000000, -0.0021263400000000, -0.0011830500000000 ] - [ -0.0038700600000000, -0.0018622800000000, -0.0007757900000000 ] - [ -0.0023706100000000, -0.0020439400000000, -0.0011323800000000 ] - [ -0.0023769600000000, 0.0021703900000000, -0.0011241800000000 ] - [ -0.0021356500000000, 0.0019464500000000, -0.0007179900000000 ] - [ -0.0025549100000000, 0.0021521500000000, -0.0011795100000000 ] - [ -0.0024813300000000, 0.0024267400000000, -0.0012931100000000 ] - [ -0.0023287800000000, 0.0021534600000000, -0.0012489100000000 ] - [ 0.0124091900000000, -0.0094597000000000, 0.0053783800000000 ] - [ -0.0026177000000000, 0.0022108100000000, -0.0011394500000000 ] - [ -0.0027272700000000, 0.0047983900000000, -0.0004154300000000 ] - [ 0.0025542700000000, -0.0020975400000000, -0.0011223100000000 ] - [ 0.0022454500000000, -0.0018261600000000, -0.0000071100000000 ] - [ 0.0024066800000000, -0.0020939700000000, -0.0012708400000000 ] - [ 0.0031048400000000, -0.0021014600000000, -0.0027498100000000 ] - [ 0.0025513300000000, -0.0021263400000000, -0.0011830500000000 ] - [ 0.0024168200000000, -0.0017761400000000, -0.0013321400000000 ] - [ 0.0023706100000000, -0.0020439400000000, -0.0011323800000000 ] - [ 0.0038700600000000, -0.0018622800000000, -0.0007757900000000 ] - [ 0.0021356500000000, 0.0019464500000000, -0.0007179900000000 ] - [ 0.0023769600000000, 0.0021703900000000, -0.0011241800000000 ] - [ 0.0024813300000000, 0.0024267400000000, -0.0012931100000000 ] - [ 0.0025549100000000, 0.0021521500000000, -0.0011795100000000 ] - [ -0.0124091900000000, -0.0094597000000000, 0.0053783800000000 ] - [ 0.0023287800000000, 0.0021534600000000, -0.0012489100000000 ] - [ 0.0027272700000000, 0.0047983900000000, -0.0004154300000000 ] - [ 0.0026177000000000, 0.0022108100000000, -0.0011394500000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, -0.0211312400000000, -0.0724583900000000 ] - [ 0.0000000000000000, -0.0115172600000000, 0.0001554100000000 ] - [ 0.0000000000000000, -0.0113964100000000, 0.0002192700000000 ] - [ 0.0000000000000000, -0.0114899500000000, 0.0002541800000000 ] - [ 0.0000000000000000, -0.0115082900000000, 0.0003123000000000 ] - [ 0.0000000000000000, -0.0114994100000000, 0.0003489400000000 ] - [ 0.0000000000000000, -0.0114158600000000, 0.0003367800000000 ] - [ 0.0000000000000000, -0.0114809400000000, 0.0003198300000000 ] - [ 0.0000439500000000, 0.0115735600000000, 0.0003338600000000 ] - [ -0.0000439500000000, 0.0115735600000000, 0.0003338600000000 ] - [ 0.0000915600000000, 0.0113909300000000, 0.0003699200000000 ] - [ -0.0000915600000000, 0.0113909300000000, 0.0003699200000000 ] - [ -0.0000699000000000, 0.0114010500000000, 0.0003333000000000 ] - [ 0.0000699000000000, 0.0114010500000000, 0.0003333000000000 ] - [ -0.0002715000000000, 0.0116135100000000, 0.0003687700000000 ] - [ 0.0002715000000000, 0.0116135100000000, 0.0003687700000000 ] - [ 0.0007272200000000, 0.0038240800000000, 0.0067530600000000 ] - [ -0.0007272200000000, 0.0038240800000000, 0.0067530600000000 ] - [ 0.0001216000000000, 0.0040123600000000, 0.0068947800000000 ] - [ -0.0001216000000000, 0.0040123600000000, 0.0068947800000000 ] - [ -0.0001760600000000, 0.0040764800000000, 0.0076338800000000 ] - [ 0.0001760600000000, 0.0040764800000000, 0.0076338800000000 ] - [ -0.0000151300000000, 0.0040464600000000, 0.0070022200000000 ] - [ 0.0000151300000000, 0.0040464600000000, 0.0070022200000000 ] - [ 0.0000000000000000, -0.0039664800000000, 0.0071471400000000 ] - [ 0.0000000000000000, -0.0040306700000000, 0.0069927600000000 ] - [ 0.0000000000000000, -0.0055458000000000, 0.0116760000000000 ] - [ 0.0000000000000000, -0.0040516600000000, 0.0070152900000000 ] - [ 0.0000000000000000, -0.0042145800000000, 0.0067574900000000 ] - [ 0.0000000000000000, -0.0040663900000000, 0.0068862400000000 ] - [ 0.0000000000000000, 0.0005806400000000, 0.0126633100000000 ] - [ 0.0000000000000000, -0.0040384400000000, 0.0068718300000000 ] - [ -0.0074712100000000, 0.0052437700000000, 0.0043120400000000 ] - [ -0.0099486800000000, 0.0036926700000000, 0.0006268100000000 ] - [ -0.0097886300000000, 0.0036909700000000, 0.0006022000000000 ] - [ -0.0098302000000000, 0.0036955500000000, 0.0005605500000000 ] - [ -0.0118061800000000, 0.0028910500000000, 0.0034146900000000 ] - [ -0.0095292900000000, 0.0036866000000000, 0.0004806700000000 ] - [ -0.0100716400000000, 0.0038818700000000, 0.0004936700000000 ] - [ -0.0097306800000000, 0.0036772500000000, 0.0004993100000000 ] - [ -0.0097632900000000, -0.0036495500000000, 0.0004437100000000 ] - [ -0.0096783200000000, -0.0027255700000000, 0.0003026500000000 ] - [ -0.0097670200000000, -0.0036947700000000, 0.0004512200000000 ] - [ -0.0106172300000000, -0.0048433800000000, -0.0003952200000000 ] - [ -0.0098154900000000, -0.0036940300000000, 0.0005774900000000 ] - [ -0.0098353600000000, -0.0036847200000000, 0.0009325700000000 ] - [ -0.0098074200000000, -0.0036641900000000, 0.0005823600000000 ] - [ -0.0098843100000000, -0.0036300200000000, 0.0014492600000000 ] - [ 0.0096783200000000, -0.0027255700000000, 0.0003026500000000 ] - [ 0.0097632900000000, -0.0036495500000000, 0.0004437100000000 ] - [ 0.0106172300000000, -0.0048433800000000, -0.0003952200000000 ] - [ 0.0097670200000000, -0.0036947700000000, 0.0004512200000000 ] - [ 0.0098353600000000, -0.0036847200000000, 0.0009325700000000 ] - [ 0.0098154900000000, -0.0036940300000000, 0.0005774900000000 ] - [ 0.0098843100000000, -0.0036300200000000, 0.0014492600000000 ] - [ 0.0098074200000000, -0.0036641900000000, 0.0005823600000000 ] - [ 0.0099486800000000, 0.0036926700000000, 0.0006268100000000 ] - [ 0.0074712100000000, 0.0052437700000000, 0.0043120400000000 ] - [ 0.0098302000000000, 0.0036955500000000, 0.0005605500000000 ] - [ 0.0097886300000000, 0.0036909700000000, 0.0006022000000000 ] - [ 0.0095292900000000, 0.0036866000000000, 0.0004806700000000 ] - [ 0.0118061800000000, 0.0028910500000000, 0.0034146900000000 ] - [ 0.0097306800000000, 0.0036772500000000, 0.0004993100000000 ] - [ 0.0100716400000000, 0.0038818700000000, 0.0004936700000000 ] - [ -0.0005695700000000, -0.0078540900000000, -0.0010252900000000 ] - [ 0.0005695700000000, -0.0078540900000000, -0.0010252900000000 ] - [ -0.0000102000000000, -0.0080805700000000, -0.0011742500000000 ] - [ 0.0000102000000000, -0.0080805700000000, -0.0011742500000000 ] - [ 0.0011030600000000, -0.0088490200000000, -0.0014532500000000 ] - [ -0.0011030600000000, -0.0088490200000000, -0.0014532500000000 ] - [ 0.0001476800000000, -0.0079883400000000, -0.0013874500000000 ] - [ -0.0001476800000000, -0.0079883400000000, -0.0013874500000000 ] - [ 0.0000000000000000, 0.0080410300000000, -0.0013094400000000 ] - [ 0.0000000000000000, 0.0080279600000000, -0.0012518700000000 ] - [ 0.0000000000000000, 0.0072913300000000, -0.0026539300000000 ] - [ 0.0000000000000000, 0.0080268700000000, -0.0012733000000000 ] - [ 0.0000000000000000, 0.0078467300000000, -0.0006357200000000 ] - [ 0.0000000000000000, 0.0079996900000000, -0.0010373700000000 ] - [ 0.0000000000000000, 0.0296011700000000, 0.0121238500000000 ] - [ 0.0000000000000000, 0.0080706300000000, -0.0009859700000000 ] - [ 0.0000069900000000, 0.0005731300000000, -0.0048176400000000 ] - [ -0.0000069900000000, 0.0005731300000000, -0.0048176400000000 ] - [ 0.0000084500000000, 0.0005541600000000, -0.0048435400000000 ] - [ -0.0000084500000000, 0.0005541600000000, -0.0048435400000000 ] - [ -0.0001338600000000, 0.0005362300000000, -0.0046334700000000 ] - [ 0.0001338600000000, 0.0005362300000000, -0.0046334700000000 ] - [ -0.0001239300000000, 0.0006027300000000, -0.0045735800000000 ] - [ 0.0001239300000000, 0.0006027300000000, -0.0045735800000000 ] - [ 0.0000000000000000, -0.0007302700000000, 0.0229845200000000 ] - [ 0.0000000000000000, -0.0005358300000000, -0.0047498300000000 ] - [ 0.0000000000000000, -0.0005916200000000, -0.0047838500000000 ] - [ 0.0000000000000000, -0.0005672500000000, -0.0047564700000000 ] - [ 0.0000000000000000, -0.0003760800000000, -0.0048853700000000 ] - [ 0.0000000000000000, -0.0006344400000000, -0.0048137700000000 ] - [ 0.0000000000000000, -0.0006019700000000, -0.0048031900000000 ] - [ 0.0000000000000000, -0.0005876100000000, -0.0047770000000000 ] - [ -0.0025283800000000, -0.0025338400000000, -0.0011873100000000 ] - [ -0.0024414900000000, -0.0021656100000000, -0.0011473800000000 ] - [ -0.0027858900000000, -0.0018501800000000, -0.0012185600000000 ] - [ -0.0024420500000000, -0.0021104800000000, -0.0011583700000000 ] - [ -0.0026846400000000, -0.0012875400000000, -0.0013370100000000 ] - [ -0.0025786600000000, -0.0020687700000000, -0.0012398300000000 ] - [ -0.0009161800000000, -0.0025704200000000, -0.0016868700000000 ] - [ -0.0026060400000000, -0.0022135900000000, -0.0012506000000000 ] - [ -0.0024518900000000, 0.0022205800000000, -0.0013362400000000 ] - [ -0.0029010500000000, 0.0023588000000000, -0.0020383100000000 ] - [ -0.0024891700000000, 0.0021154300000000, -0.0012420400000000 ] - [ -0.0024865600000000, 0.0020496000000000, -0.0012841100000000 ] - [ -0.0026100400000000, 0.0019834900000000, -0.0009100100000000 ] - [ 0.0104755800000000, -0.0055188400000000, 0.0038836500000000 ] - [ -0.0025309400000000, 0.0021300700000000, -0.0010497200000000 ] - [ -0.0025357800000000, 0.0024013100000000, -0.0008573900000000 ] - [ 0.0024414900000000, -0.0021656100000000, -0.0011473800000000 ] - [ 0.0025283800000000, -0.0025338400000000, -0.0011873100000000 ] - [ 0.0024420500000000, -0.0021104800000000, -0.0011583700000000 ] - [ 0.0027858900000000, -0.0018501800000000, -0.0012185600000000 ] - [ 0.0025786600000000, -0.0020687700000000, -0.0012398300000000 ] - [ 0.0026846400000000, -0.0012875400000000, -0.0013370100000000 ] - [ 0.0026060400000000, -0.0022135900000000, -0.0012506000000000 ] - [ 0.0009161800000000, -0.0025704200000000, -0.0016868700000000 ] - [ 0.0029010500000000, 0.0023588000000000, -0.0020383100000000 ] - [ 0.0024518900000000, 0.0022205800000000, -0.0013362400000000 ] - [ 0.0024865600000000, 0.0020496000000000, -0.0012841100000000 ] - [ 0.0024891700000000, 0.0021154300000000, -0.0012420400000000 ] - [ -0.0104755800000000, -0.0055188400000000, 0.0038836500000000 ] - [ 0.0026100400000000, 0.0019834900000000, -0.0009100100000000 ] - [ 0.0025357800000000, 0.0024013100000000, -0.0008573900000000 ] - [ 0.0025309400000000, 0.0021300700000000, -0.0010497200000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, -0.0018002100000000, 0.0709442300000000 ] - [ 0.0000000000000000, -0.0114658100000000, 0.0004337900000000 ] - [ 0.0000000000000000, -0.0115883100000000, 0.0003703300000000 ] - [ 0.0000000000000000, -0.0114973300000000, 0.0003352600000000 ] - [ 0.0000000000000000, -0.0114742500000000, 0.0002710600000000 ] - [ 0.0000000000000000, -0.0114869700000000, 0.0002396300000000 ] - [ 0.0000000000000000, -0.0115710600000000, 0.0002514900000000 ] - [ 0.0000000000000000, -0.0115018400000000, 0.0002690700000000 ] - [ -0.0000458800000000, 0.0114063700000000, 0.0002573400000000 ] - [ 0.0000458800000000, 0.0114063700000000, 0.0002573400000000 ] - [ -0.0000952200000000, 0.0115976900000000, 0.0002199500000000 ] - [ 0.0000952200000000, 0.0115976900000000, 0.0002199500000000 ] - [ 0.0000711400000000, 0.0115808900000000, 0.0002567700000000 ] - [ -0.0000711400000000, 0.0115808900000000, 0.0002567700000000 ] - [ 0.0002742100000000, 0.0113689200000000, 0.0002207300000000 ] - [ -0.0002742100000000, 0.0113689200000000, 0.0002207300000000 ] - [ -0.0007303000000000, 0.0042669000000000, 0.0071431700000000 ] - [ 0.0007303000000000, 0.0042669000000000, 0.0071431700000000 ] - [ -0.0001212600000000, 0.0040770100000000, 0.0069957100000000 ] - [ 0.0001212600000000, 0.0040770100000000, 0.0069957100000000 ] - [ 0.0001775900000000, 0.0040135700000000, 0.0062488100000000 ] - [ -0.0001775900000000, 0.0040135700000000, 0.0062488100000000 ] - [ 0.0000156000000000, 0.0040437500000000, 0.0068845400000000 ] - [ -0.0000156000000000, 0.0040437500000000, 0.0068845400000000 ] - [ 0.0000000000000000, -0.0041267100000000, 0.0067443900000000 ] - [ 0.0000000000000000, -0.0040605500000000, 0.0068960300000000 ] - [ 0.0000000000000000, -0.0025849700000000, 0.0022701500000000 ] - [ 0.0000000000000000, -0.0040384000000000, 0.0068793800000000 ] - [ 0.0000000000000000, -0.0038752200000000, 0.0071356800000000 ] - [ 0.0000000000000000, -0.0040247200000000, 0.0070083900000000 ] - [ 0.0000000000000000, -0.0087410100000000, 0.0011289000000000 ] - [ 0.0000000000000000, -0.0040529400000000, 0.0070186400000000 ] - [ -0.0120844800000000, 0.0021440900000000, -0.0032302300000000 ] - [ -0.0096384300000000, 0.0036646900000000, 0.0004089300000000 ] - [ -0.0098100000000000, 0.0036701900000000, 0.0004350300000000 ] - [ -0.0097648600000000, 0.0036627800000000, 0.0004763800000000 ] - [ -0.0077691500000000, 0.0044761300000000, -0.0024131500000000 ] - [ -0.0100690300000000, 0.0036726100000000, 0.0005555300000000 ] - [ -0.0095220600000000, 0.0034739800000000, 0.0005420500000000 ] - [ -0.0098671200000000, 0.0036819900000000, 0.0005373600000000 ] - [ -0.0098290900000000, -0.0037074400000000, 0.0005906400000000 ] - [ -0.0099148100000000, -0.0046318200000000, 0.0007339700000000 ] - [ -0.0098277000000000, -0.0036643800000000, 0.0005846200000000 ] - [ -0.0089815900000000, -0.0025147000000000, 0.0014315900000000 ] - [ -0.0097795800000000, -0.0036655800000000, 0.0004570100000000 ] - [ -0.0097564900000000, -0.0036728600000000, 0.0000974000000000 ] - [ -0.0097840900000000, -0.0036931300000000, 0.0004503600000000 ] - [ -0.0097120600000000, -0.0037288100000000, -0.0004207900000000 ] - [ 0.0099148100000000, -0.0046318200000000, 0.0007339700000000 ] - [ 0.0098290900000000, -0.0037074400000000, 0.0005906400000000 ] - [ 0.0089815900000000, -0.0025147000000000, 0.0014315900000000 ] - [ 0.0098277000000000, -0.0036643800000000, 0.0005846200000000 ] - [ 0.0097564900000000, -0.0036728600000000, 0.0000974000000000 ] - [ 0.0097795800000000, -0.0036655800000000, 0.0004570100000000 ] - [ 0.0097120600000000, -0.0037288100000000, -0.0004207900000000 ] - [ 0.0097840900000000, -0.0036931300000000, 0.0004503600000000 ] - [ 0.0096384300000000, 0.0036646900000000, 0.0004089300000000 ] - [ 0.0120844800000000, 0.0021440900000000, -0.0032302300000000 ] - [ 0.0097648600000000, 0.0036627800000000, 0.0004763800000000 ] - [ 0.0098100000000000, 0.0036701900000000, 0.0004350300000000 ] - [ 0.0100690300000000, 0.0036726100000000, 0.0005555300000000 ] - [ 0.0077691500000000, 0.0044761300000000, -0.0024131500000000 ] - [ 0.0098671200000000, 0.0036819900000000, 0.0005373600000000 ] - [ 0.0095220600000000, 0.0034739800000000, 0.0005420500000000 ] - [ 0.0005827800000000, -0.0082020500000000, -0.0013306400000000 ] - [ -0.0005827800000000, -0.0082020500000000, -0.0013306400000000 ] - [ 0.0000119900000000, -0.0079630700000000, -0.0011766000000000 ] - [ -0.0000119900000000, -0.0079630700000000, -0.0011766000000000 ] - [ -0.0011102200000000, -0.0071899000000000, -0.0008894800000000 ] - [ 0.0011102200000000, -0.0071899000000000, -0.0008894800000000 ] - [ -0.0001505700000000, -0.0080568700000000, -0.0009554100000000 ] - [ 0.0001505700000000, -0.0080568700000000, -0.0009554100000000 ] - [ 0.0000000000000000, 0.0080112400000000, -0.0010338500000000 ] - [ 0.0000000000000000, 0.0080233400000000, -0.0010939300000000 ] - [ 0.0000000000000000, 0.0087469100000000, 0.0003237800000000 ] - [ 0.0000000000000000, 0.0080250600000000, -0.0010715700000000 ] - [ 0.0000000000000000, 0.0082042700000000, -0.0017099800000000 ] - [ 0.0000000000000000, 0.0080530800000000, -0.0013086400000000 ] - [ 0.0000000000000000, -0.0137256000000000, -0.0142555300000000 ] - [ 0.0000000000000000, 0.0079813300000000, -0.0013624900000000 ] - [ -0.0000066800000000, 0.0005632100000000, -0.0047013800000000 ] - [ 0.0000066800000000, 0.0005632100000000, -0.0047013800000000 ] - [ -0.0000088000000000, 0.0005830600000000, -0.0046758900000000 ] - [ 0.0000088000000000, 0.0005830600000000, -0.0046758900000000 ] - [ 0.0001323100000000, 0.0006009300000000, -0.0048873500000000 ] - [ -0.0001323100000000, 0.0006009300000000, -0.0048873500000000 ] - [ 0.0001222000000000, 0.0005323700000000, -0.0049468800000000 ] - [ -0.0001222000000000, 0.0005323700000000, -0.0049468800000000 ] - [ 0.0000000000000000, -0.0003147500000000, -0.0308742400000000 ] - [ 0.0000000000000000, -0.0006066900000000, -0.0047719900000000 ] - [ 0.0000000000000000, -0.0005485800000000, -0.0047378900000000 ] - [ 0.0000000000000000, -0.0005738700000000, -0.0047634600000000 ] - [ 0.0000000000000000, -0.0007664200000000, -0.0046338800000000 ] - [ 0.0000000000000000, -0.0005067100000000, -0.0047061200000000 ] - [ 0.0000000000000000, -0.0005386800000000, -0.0047148000000000 ] - [ 0.0000000000000000, -0.0005516000000000, -0.0047424700000000 ] - [ -0.0024606700000000, -0.0017230200000000, -0.0011629300000000 ] - [ -0.0025480800000000, -0.0020988900000000, -0.0011967100000000 ] - [ -0.0021944000000000, -0.0024216100000000, -0.0011327700000000 ] - [ -0.0025471700000000, -0.0021577600000000, -0.0011868600000000 ] - [ -0.0023019700000000, -0.0029845700000000, -0.0010021200000000 ] - [ -0.0024075500000000, -0.0021984500000000, -0.0011013600000000 ] - [ -0.0040852000000000, -0.0016941700000000, -0.0006523000000000 ] - [ -0.0023806100000000, -0.0020518300000000, -0.0010900200000000 ] - [ -0.0025372800000000, 0.0020450500000000, -0.0010040200000000 ] - [ -0.0020935400000000, 0.0019102300000000, -0.0002922200000000 ] - [ -0.0024983800000000, 0.0021497900000000, -0.0011004800000000 ] - [ -0.0025021800000000, 0.0022178000000000, -0.0010572100000000 ] - [ -0.0023768700000000, 0.0022814600000000, -0.0014347000000000 ] - [ -0.0155245800000000, 0.0098235000000000, -0.0060742400000000 ] - [ -0.0024578400000000, 0.0021362100000000, -0.0012939400000000 ] - [ -0.0024519900000000, 0.0018647500000000, -0.0014878800000000 ] - [ 0.0025480800000000, -0.0020988900000000, -0.0011967100000000 ] - [ 0.0024606700000000, -0.0017230200000000, -0.0011629300000000 ] - [ 0.0025471700000000, -0.0021577600000000, -0.0011868600000000 ] - [ 0.0021944000000000, -0.0024216100000000, -0.0011327700000000 ] - [ 0.0024075500000000, -0.0021984500000000, -0.0011013600000000 ] - [ 0.0023019700000000, -0.0029845700000000, -0.0010021200000000 ] - [ 0.0023806100000000, -0.0020518300000000, -0.0010900200000000 ] - [ 0.0040852000000000, -0.0016941700000000, -0.0006523000000000 ] - [ 0.0020935400000000, 0.0019102300000000, -0.0002922200000000 ] - [ 0.0025372800000000, 0.0020450500000000, -0.0010040200000000 ] - [ 0.0025021800000000, 0.0022178000000000, -0.0010572100000000 ] - [ 0.0024983800000000, 0.0021497900000000, -0.0011004800000000 ] - [ 0.0155245800000000, 0.0098235000000000, -0.0060742400000000 ] - [ 0.0023768700000000, 0.0022814600000000, -0.0014347000000000 ] - [ 0.0024519900000000, 0.0018647500000000, -0.0014878800000000 ] - [ 0.0024578400000000, 0.0021362100000000, -0.0012939400000000 ]- atom: 17 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0060941200000000, -0.0107083800000000, 0.0010207200000000 ] - [ 0.0061815100000000, -0.0123178400000000, -0.0004355200000000 ] - [ 0.0006779900000000, -0.0118508100000000, 0.0004177600000000 ] - [ 0.0006759900000000, -0.0111122300000000, 0.0001785900000000 ] - [ 0.0002298400000000, -0.0112756500000000, 0.0001096600000000 ] - [ 0.0002318000000000, -0.0117188300000000, 0.0004756900000000 ] - [ 0.0000332300000000, -0.0116107000000000, 0.0002820400000000 ] - [ 0.0000320700000000, -0.0113720500000000, 0.0003048400000000 ] - [ -0.0004522600000000, 0.0115212200000000, 0.0002831200000000 ] - [ 0.0002700900000000, 0.0115092300000000, 0.0002882800000000 ] - [ -0.0015676900000000, 0.0115334100000000, 0.0002659400000000 ] - [ 0.0002624700000000, 0.0114734700000000, 0.0002998100000000 ] - [ -0.0003923100000000, 0.0115121500000000, 0.0002872600000000 ] - [ 0.0002634600000000, 0.0114667100000000, 0.0002992400000000 ] - [ -0.0006673500000000, 0.0114706300000000, 0.0002951300000000 ] - [ 0.0002708300000000, 0.0115219400000000, 0.0002868400000000 ] - [ -0.0883283900000000, 0.0032156000000000, 0.0078577400000000 ] - [ 0.0016669500000000, 0.0040485600000000, 0.0069296400000000 ] - [ -0.0004579200000000, 0.0040481800000000, 0.0069866000000000 ] - [ 0.0004258600000000, 0.0040468600000000, 0.0069724300000000 ] - [ -0.0005078100000000, 0.0040475600000000, 0.0069233000000000 ] - [ 0.0003079800000000, 0.0040486500000000, 0.0069849500000000 ] - [ -0.0001993900000000, 0.0040466800000000, 0.0069692600000000 ] - [ 0.0001919300000000, 0.0040464100000000, 0.0069220800000000 ] - [ 0.0001553100000000, -0.0042231400000000, 0.0068059300000000 ] - [ 0.0001557900000000, -0.0038703100000000, 0.0071001300000000 ] - [ 0.0000382200000000, -0.0039299300000000, 0.0067827400000000 ] - [ 0.0000328000000000, -0.0041636100000000, 0.0071387700000000 ] - [ 0.0001561900000000, -0.0040750800000000, 0.0071520900000000 ] - [ 0.0001541400000000, -0.0040188500000000, 0.0067191800000000 ] - [ 0.0000331000000000, -0.0038345800000000, 0.0073161200000000 ] - [ 0.0000372300000000, -0.0042598200000000, 0.0066022900000000 ] - [ -0.0082728100000000, 0.0022561100000000, -0.0047121000000000 ] - [ -0.0095037300000000, 0.0036007800000000, 0.0005184800000000 ] - [ -0.0099873400000000, 0.0037534900000000, 0.0004318700000000 ] - [ -0.0095644500000000, 0.0035979100000000, 0.0005277000000000 ] - [ -0.0093474200000000, 0.0029986700000000, 0.0016955100000000 ] - [ -0.0093521100000000, 0.0036697400000000, 0.0002644000000000 ] - [ -0.0100341300000000, 0.0037714400000000, 0.0006464700000000 ] - [ -0.0095718800000000, 0.0036157100000000, 0.0004182600000000 ] - [ -0.0072996900000000, -0.0008035300000000, -0.0003065000000000 ] - [ -0.0094190800000000, -0.0037433100000000, 0.0004350900000000 ] - [ -0.0083409100000000, -0.0059408500000000, 0.0007840800000000 ] - [ -0.0092938300000000, -0.0031887800000000, 0.0004714600000000 ] - [ -0.0097551300000000, -0.0033119100000000, 0.0008064700000000 ] - [ -0.0096745400000000, -0.0037016200000000, 0.0005023100000000 ] - [ -0.0100286100000000, -0.0037260700000000, 0.0005121600000000 ] - [ -0.0096234500000000, -0.0035692400000000, 0.0004677900000000 ] - [ 0.0123082800000000, -0.0065471400000000, 0.0013481700000000 ] - [ 0.0101877500000000, -0.0036250500000000, 0.0006056100000000 ] - [ 0.0112502700000000, -0.0014130400000000, 0.0002447500000000 ] - [ 0.0102819200000000, -0.0041711300000000, 0.0005568900000000 ] - [ 0.0098363900000000, -0.0040466000000000, 0.0002275300000000 ] - [ 0.0099150500000000, -0.0036612100000000, 0.0005306800000000 ] - [ 0.0095517400000000, -0.0036353100000000, 0.0005146200000000 ] - [ 0.0099493900000000, -0.0037825400000000, 0.0005571700000000 ] - [ 0.0112667700000000, 0.0050829200000000, 0.0057401600000000 ] - [ 0.0101220000000000, 0.0037776200000000, 0.0005260200000000 ] - [ 0.0095454300000000, 0.0035746100000000, 0.0005787600000000 ] - [ 0.0099976600000000, 0.0037479100000000, 0.0004986400000000 ] - [ 0.0102900200000000, 0.0043871400000000, -0.0006467500000000 ] - [ 0.0101876200000000, 0.0036673300000000, 0.0007538900000000 ] - [ 0.0095203700000000, 0.0035741300000000, 0.0003754400000000 ] - [ 0.0100578300000000, 0.0037670700000000, 0.0006272700000000 ] - [ 0.0077750300000000, -0.0080091500000000, -0.0013280800000000 ] - [ -0.0004602800000000, -0.0080189800000000, -0.0011695100000000 ] - [ 0.0002488300000000, -0.0080215900000000, -0.0011786900000000 ] - [ -0.0002958200000000, -0.0080220000000000, -0.0011747200000000 ] - [ 0.0013003600000000, -0.0080274200000000, -0.0011665100000000 ] - [ -0.0006484900000000, -0.0080241300000000, -0.0011771400000000 ] - [ 0.0003594100000000, -0.0080215200000000, -0.0011718100000000 ] - [ -0.0003491200000000, -0.0080197700000000, -0.0011705100000000 ] - [ -0.0002274700000000, 0.0081311300000000, -0.0010026700000000 ] - [ -0.0002295900000000, 0.0079195600000000, -0.0013474200000000 ] - [ 0.0000665000000000, 0.0076746400000000, -0.0009779600000000 ] - [ 0.0000682700000000, 0.0083709400000000, -0.0013749300000000 ] - [ -0.0014424300000000, 0.0080357000000000, -0.0019086800000000 ] - [ -0.0014407800000000, 0.0080176600000000, -0.0004381200000000 ] - [ -0.0000938400000000, 0.0065090600000000, -0.0019209100000000 ] - [ -0.0000883300000000, 0.0095497000000000, -0.0004153300000000 ] - [ 0.0002226700000000, 0.0005665400000000, -0.0047600000000000 ] - [ -0.0001194500000000, 0.0005698900000000, -0.0047626100000000 ] - [ 0.0001019400000000, 0.0005707900000000, -0.0047613700000000 ] - [ -0.0001029400000000, 0.0005625300000000, -0.0047608300000000 ] - [ 0.0006128400000000, 0.0005636200000000, -0.0047589000000000 ] - [ -0.0002558200000000, 0.0005611400000000, -0.0047614500000000 ] - [ -0.0023085800000000, 0.0006318500000000, -0.0047397100000000 ] - [ -0.0003760300000000, 0.0005699100000000, -0.0047648200000000 ] - [ -0.0005178500000000, -0.0007287100000000, -0.0041547600000000 ] - [ -0.0005203200000000, -0.0004098300000000, -0.0053768200000000 ] - [ -0.0000040500000000, -0.0004749200000000, -0.0046601500000000 ] - [ -0.0000025500000000, -0.0006683100000000, -0.0048724500000000 ] - [ -0.0000843800000000, -0.0005571500000000, -0.0047941900000000 ] - [ -0.0000851300000000, -0.0005813500000000, -0.0047301800000000 ] - [ -0.0000044800000000, -0.0004792900000000, -0.0047833600000000 ] - [ -0.0000022000000000, -0.0006595000000000, -0.0047444200000000 ] - [ -0.0021951600000000, -0.0011875200000000, -0.0007242000000000 ] - [ -0.0027879600000000, -0.0022207900000000, -0.0013178700000000 ] - [ -0.0021948500000000, -0.0023457100000000, -0.0005139900000000 ] - [ -0.0027937800000000, -0.0020957600000000, -0.0013799000000000 ] - [ -0.0022151100000000, -0.0016906000000000, -0.0011319300000000 ] - [ -0.0027594400000000, -0.0022306000000000, -0.0011398200000000 ] - [ -0.0021731200000000, -0.0021317600000000, -0.0012393300000000 ] - [ -0.0027944500000000, -0.0021220500000000, -0.0011478100000000 ] - [ -0.0020724700000000, 0.0024304700000000, -0.0026639400000000 ] - [ -0.0027858300000000, 0.0021585800000000, -0.0011064900000000 ] - [ -0.0023570000000000, 0.0021469600000000, -0.0012080500000000 ] - [ -0.0026389600000000, 0.0020788500000000, -0.0011403700000000 ] - [ 0.0280588800000000, 0.0184877100000000, -0.0157573400000000 ] - [ -0.0038656400000000, 0.0030319500000000, -0.0015294400000000 ] - [ -0.0019662000000000, 0.0025868400000000, -0.0008915700000000 ] - [ -0.0029564500000000, 0.0019803300000000, -0.0013500900000000 ] - [ 0.0027974600000000, -0.0030734300000000, -0.0016246200000000 ] - [ 0.0021987700000000, -0.0020527100000000, -0.0010261300000000 ] - [ 0.0028002800000000, -0.0019188900000000, -0.0018344500000000 ] - [ 0.0021860900000000, -0.0021632600000000, -0.0009634900000000 ] - [ 0.0027733000000000, -0.0025784400000000, -0.0012088400000000 ] - [ 0.0022219600000000, -0.0020234300000000, -0.0012022000000000 ] - [ 0.0027987000000000, -0.0021259400000000, -0.0011015700000000 ] - [ 0.0021899100000000, -0.0021528700000000, -0.0011937400000000 ] - [ 0.0029138300000000, 0.0018350100000000, 0.0003331700000000 ] - [ 0.0021957100000000, 0.0021080600000000, -0.0012438100000000 ] - [ 0.0026241500000000, 0.0021189600000000, -0.0011299600000000 ] - [ 0.0023498300000000, 0.0021849800000000, -0.0011969400000000 ] - [ 0.0319932600000000, -0.0134990500000000, 0.0126677100000000 ] - [ 0.0011204800000000, 0.0012270900000000, -0.0007993900000000 ] - [ 0.0030078100000000, 0.0016797800000000, -0.0014506000000000 ] - [ 0.0020248800000000, 0.0022854500000000, -0.0009989100000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0004557400000000, -0.0116535200000000, 0.0000729300000000 ] - [ -0.0004557400000000, -0.0116535200000000, 0.0000729300000000 ] - [ -0.0002222100000000, -0.0102048000000000, 0.0002618500000000 ] - [ 0.0002222100000000, -0.0102048000000000, 0.0002618500000000 ] - [ -0.0000987900000000, -0.0117087100000000, 0.0003288200000000 ] - [ 0.0000987900000000, -0.0117087100000000, 0.0003288200000000 ] - [ 0.0000367100000000, -0.0113343300000000, 0.0002983300000000 ] - [ -0.0000367100000000, -0.0113343300000000, 0.0002983300000000 ] - [ 0.0000000000000000, 0.0118330500000000, 0.0004686400000000 ] - [ 0.0000000000000000, 0.0115246900000000, 0.0003199600000000 ] - [ 0.0000000000000000, 0.0142984300000000, -0.0043446400000000 ] - [ 0.0000000000000000, 0.0114350900000000, 0.0002823500000000 ] - [ 0.0000000000000000, 0.0117123700000000, 0.0002183000000000 ] - [ 0.0000000000000000, 0.0115586200000000, 0.0002754600000000 ] - [ 0.0000000000000000, 0.0131713600000000, 0.0017706600000000 ] - [ 0.0000000000000000, 0.0114036100000000, 0.0003062000000000 ] - [ 0.0000000000000000, -0.0552252200000000, 0.0130431700000000 ] - [ 0.0000000000000000, 0.0039551100000000, 0.0069655100000000 ] - [ 0.0000000000000000, 0.0043189400000000, 0.0068809900000000 ] - [ 0.0000000000000000, 0.0041101600000000, 0.0069244100000000 ] - [ 0.0000000000000000, 0.0040371500000000, 0.0067857700000000 ] - [ 0.0000000000000000, 0.0040138800000000, 0.0069130700000000 ] - [ 0.0000000000000000, 0.0041891100000000, 0.0068992100000000 ] - [ 0.0000000000000000, 0.0040840100000000, 0.0069299600000000 ] - [ -0.0000282500000000, -0.0039995400000000, 0.0070541200000000 ] - [ 0.0000282500000000, -0.0039995400000000, 0.0070541200000000 ] - [ 0.0002123200000000, -0.0041204000000000, 0.0068039000000000 ] - [ -0.0002123200000000, -0.0041204000000000, 0.0068039000000000 ] - [ -0.0001793700000000, -0.0039984500000000, 0.0067163300000000 ] - [ 0.0001793700000000, -0.0039984500000000, 0.0067163300000000 ] - [ 0.0001177200000000, -0.0041180100000000, 0.0070520000000000 ] - [ -0.0001177200000000, -0.0041180100000000, 0.0070520000000000 ] - [ -0.0106927800000000, 0.0030241900000000, 0.0023217300000000 ] - [ -0.0097399800000000, 0.0036048900000000, 0.0004886100000000 ] - [ -0.0098036600000000, 0.0040193300000000, 0.0004776900000000 ] - [ -0.0098381500000000, 0.0037618500000000, 0.0005399600000000 ] - [ -0.0103678900000000, 0.0036899900000000, -0.0000477700000000 ] - [ -0.0098046100000000, 0.0036112400000000, 0.0005443200000000 ] - [ -0.0099042600000000, 0.0038642400000000, 0.0005550700000000 ] - [ -0.0097955300000000, 0.0037494500000000, 0.0005023300000000 ] - [ -0.0067619400000000, -0.0003565200000000, -0.0000697900000000 ] - [ -0.0100471900000000, -0.0036587100000000, 0.0005370100000000 ] - [ -0.0131038400000000, 0.0006861300000000, 0.0009340300000000 ] - [ -0.0095453100000000, -0.0035653600000000, 0.0005264600000000 ] - [ -0.0097762600000000, -0.0036483700000000, 0.0005072300000000 ] - [ -0.0098306500000000, -0.0036954500000000, 0.0005106900000000 ] - [ -0.0101134300000000, -0.0036412000000000, 0.0003149800000000 ] - [ -0.0097075300000000, -0.0036830000000000, 0.0004953500000000 ] - [ 0.0067619400000000, -0.0003565200000000, -0.0000697900000000 ] - [ 0.0100471900000000, -0.0036587100000000, 0.0005370100000000 ] - [ 0.0131038400000000, 0.0006861300000000, 0.0009340300000000 ] - [ 0.0095453100000000, -0.0035653600000000, 0.0005264600000000 ] - [ 0.0097762600000000, -0.0036483700000000, 0.0005072300000000 ] - [ 0.0098306500000000, -0.0036954500000000, 0.0005106900000000 ] - [ 0.0101134300000000, -0.0036412000000000, 0.0003149800000000 ] - [ 0.0097075300000000, -0.0036830000000000, 0.0004953500000000 ] - [ 0.0106927800000000, 0.0030241900000000, 0.0023217300000000 ] - [ 0.0097399800000000, 0.0036048900000000, 0.0004886100000000 ] - [ 0.0098036600000000, 0.0040193300000000, 0.0004776900000000 ] - [ 0.0098381500000000, 0.0037618500000000, 0.0005399600000000 ] - [ 0.0103678900000000, 0.0036899900000000, -0.0000477700000000 ] - [ 0.0098046100000000, 0.0036112400000000, 0.0005443200000000 ] - [ 0.0099042600000000, 0.0038642400000000, 0.0005550700000000 ] - [ 0.0097955300000000, 0.0037494500000000, 0.0005023300000000 ] - [ 0.0000000000000000, -0.0032359600000000, 0.0003300700000000 ] - [ 0.0000000000000000, -0.0079135200000000, -0.0011518800000000 ] - [ 0.0000000000000000, -0.0085213500000000, -0.0011979800000000 ] - [ 0.0000000000000000, -0.0081198000000000, -0.0012293200000000 ] - [ 0.0000000000000000, -0.0077267800000000, -0.0010483100000000 ] - [ 0.0000000000000000, -0.0079192600000000, -0.0011506800000000 ] - [ 0.0000000000000000, -0.0083967600000000, -0.0011268300000000 ] - [ 0.0000000000000000, -0.0081320000000000, -0.0011686000000000 ] - [ 0.0000487000000000, 0.0079172700000000, -0.0012683100000000 ] - [ -0.0000487000000000, 0.0079172700000000, -0.0012683100000000 ] - [ -0.0002305900000000, 0.0083672400000000, -0.0010645300000000 ] - [ 0.0002305900000000, 0.0083672400000000, -0.0010645300000000 ] - [ 0.0017306900000000, 0.0074624500000000, -0.0004324500000000 ] - [ -0.0017306900000000, 0.0074624500000000, -0.0004324500000000 ] - [ -0.0007641400000000, 0.0087145200000000, -0.0013980300000000 ] - [ 0.0007641400000000, 0.0087145200000000, -0.0013980300000000 ] - [ 0.0000000000000000, 0.0005158700000000, -0.0048212000000000 ] - [ 0.0000000000000000, 0.0005475400000000, -0.0047629800000000 ] - [ 0.0000000000000000, 0.0006812500000000, -0.0039134500000000 ] - [ 0.0000000000000000, 0.0006079200000000, -0.0047524800000000 ] - [ 0.0000000000000000, 0.0000967900000000, -0.0044398400000000 ] - [ 0.0000000000000000, 0.0004804600000000, -0.0047394500000000 ] - [ 0.0000000000000000, 0.0227338100000000, 0.0062386400000000 ] - [ 0.0000000000000000, 0.0006434900000000, -0.0047992600000000 ] - [ 0.0000458500000000, -0.0004342800000000, -0.0046534000000000 ] - [ -0.0000458500000000, -0.0004342800000000, -0.0046534000000000 ] - [ -0.0000589800000000, -0.0006575000000000, -0.0047843000000000 ] - [ 0.0000589800000000, -0.0006575000000000, -0.0047843000000000 ] - [ 0.0000507300000000, -0.0004685500000000, -0.0047735300000000 ] - [ -0.0000507300000000, -0.0004685500000000, -0.0047735300000000 ] - [ -0.0000356000000000, -0.0006585900000000, -0.0047354300000000 ] - [ 0.0000356000000000, -0.0006585900000000, -0.0047354300000000 ] - [ -0.0022932000000000, -0.0024198000000000, -0.0020971700000000 ] - [ -0.0025506600000000, -0.0020890900000000, -0.0012600900000000 ] - [ -0.0033323600000000, -0.0027332800000000, -0.0009376900000000 ] - [ -0.0024015200000000, -0.0022171000000000, -0.0011429100000000 ] - [ -0.0025113200000000, -0.0022020000000000, -0.0010442100000000 ] - [ -0.0025964100000000, -0.0020527800000000, -0.0011270300000000 ] - [ -0.0026126900000000, -0.0021916900000000, -0.0010177500000000 ] - [ -0.0024179900000000, -0.0021960700000000, -0.0011575000000000 ] - [ -0.0023511300000000, 0.0021778500000000, -0.0015720700000000 ] - [ -0.0024563800000000, 0.0021492300000000, -0.0011546600000000 ] - [ -0.0024632200000000, 0.0019132500000000, -0.0011003500000000 ] - [ -0.0025087600000000, 0.0020755400000000, -0.0011699100000000 ] - [ 0.0136162600000000, 0.0091343600000000, -0.0094626800000000 ] - [ -0.0025403300000000, 0.0023564700000000, -0.0012563600000000 ] - [ -0.0027975400000000, 0.0011203000000000, -0.0014503200000000 ] - [ -0.0024143200000000, 0.0019262800000000, -0.0011182300000000 ] - [ 0.0022932000000000, -0.0024198000000000, -0.0020971700000000 ] - [ 0.0025506600000000, -0.0020890900000000, -0.0012600900000000 ] - [ 0.0033323600000000, -0.0027332800000000, -0.0009376900000000 ] - [ 0.0024015200000000, -0.0022171000000000, -0.0011429100000000 ] - [ 0.0025113200000000, -0.0022020000000000, -0.0010442100000000 ] - [ 0.0025964100000000, -0.0020527800000000, -0.0011270300000000 ] - [ 0.0026126900000000, -0.0021916900000000, -0.0010177500000000 ] - [ 0.0024179900000000, -0.0021960700000000, -0.0011575000000000 ] - [ 0.0023511300000000, 0.0021778500000000, -0.0015720700000000 ] - [ 0.0024563800000000, 0.0021492300000000, -0.0011546600000000 ] - [ 0.0024632200000000, 0.0019132500000000, -0.0011003500000000 ] - [ 0.0025087600000000, 0.0020755400000000, -0.0011699100000000 ] - [ -0.0136162600000000, 0.0091343600000000, -0.0094626800000000 ] - [ 0.0025403300000000, 0.0023564700000000, -0.0012563600000000 ] - [ 0.0027975400000000, 0.0011203000000000, -0.0014503200000000 ] - [ 0.0024143200000000, 0.0019262800000000, -0.0011182300000000 ]- atom: 17 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0004491700000000, -0.0113242000000000, 0.0005158000000000 ] - [ 0.0004491700000000, -0.0113242000000000, 0.0005158000000000 ] - [ 0.0002171400000000, -0.0127695700000000, 0.0003267000000000 ] - [ -0.0002171400000000, -0.0127695700000000, 0.0003267000000000 ] - [ 0.0000980200000000, -0.0112615700000000, 0.0002621300000000 ] - [ -0.0000980200000000, -0.0112615700000000, 0.0002621300000000 ] - [ -0.0000374600000000, -0.0116437000000000, 0.0002931800000000 ] - [ 0.0000374600000000, -0.0116437000000000, 0.0002931800000000 ] - [ 0.0000000000000000, 0.0111390800000000, 0.0001253900000000 ] - [ 0.0000000000000000, 0.0114418200000000, 0.0002734900000000 ] - [ 0.0000000000000000, 0.0086397600000000, 0.0049775600000000 ] - [ 0.0000000000000000, 0.0115668600000000, 0.0003024400000000 ] - [ 0.0000000000000000, 0.0112579900000000, 0.0003741300000000 ] - [ 0.0000000000000000, 0.0114470800000000, 0.0003097000000000 ] - [ 0.0000000000000000, 0.0098008400000000, -0.0011896000000000 ] - [ 0.0000000000000000, 0.0115601400000000, 0.0002872600000000 ] - [ 0.0000000000000000, 0.0648943700000000, 0.0021030900000000 ] - [ 0.0000000000000000, 0.0041343200000000, 0.0069504400000000 ] - [ 0.0000000000000000, 0.0037781100000000, 0.0069894800000000 ] - [ 0.0000000000000000, 0.0039842800000000, 0.0069464800000000 ] - [ 0.0000000000000000, 0.0040487400000000, 0.0071200700000000 ] - [ 0.0000000000000000, 0.0040792100000000, 0.0069560100000000 ] - [ 0.0000000000000000, 0.0039057600000000, 0.0069794700000000 ] - [ 0.0000000000000000, 0.0040070600000000, 0.0069836500000000 ] - [ 0.0000274600000000, -0.0040932900000000, 0.0068351200000000 ] - [ -0.0000274600000000, -0.0040932900000000, 0.0068351200000000 ] - [ -0.0002134200000000, -0.0039746900000000, 0.0070699400000000 ] - [ 0.0002134200000000, -0.0039746900000000, 0.0070699400000000 ] - [ 0.0001772000000000, -0.0040932700000000, 0.0071704000000000 ] - [ -0.0001772000000000, -0.0040932700000000, 0.0071704000000000 ] - [ -0.0001149800000000, -0.0039748700000000, 0.0068381800000000 ] - [ 0.0001149800000000, -0.0039748700000000, 0.0068381800000000 ] - [ -0.0089064000000000, 0.0043346600000000, -0.0012917400000000 ] - [ -0.0098363300000000, 0.0037448400000000, 0.0005404700000000 ] - [ -0.0097962300000000, 0.0033485700000000, 0.0005623600000000 ] - [ -0.0097605000000000, 0.0036045600000000, 0.0005005600000000 ] - [ -0.0092207700000000, 0.0036613200000000, 0.0010653500000000 ] - [ -0.0097969100000000, 0.0037568100000000, 0.0004979300000000 ] - [ -0.0096900000000000, 0.0035045700000000, 0.0004864800000000 ] - [ -0.0097818700000000, 0.0036016600000000, 0.0005282200000000 ] - [ -0.0128001900000000, -0.0069637700000000, 0.0011016300000000 ] - [ -0.0095480800000000, -0.0037027500000000, 0.0004981900000000 ] - [ -0.0064327500000000, -0.0080994700000000, 0.0001073500000000 ] - [ -0.0100440900000000, -0.0037933300000000, 0.0005088200000000 ] - [ -0.0098164800000000, -0.0037123900000000, 0.0005259100000000 ] - [ -0.0097632100000000, -0.0036644800000000, 0.0005243900000000 ] - [ -0.0094852500000000, -0.0037240900000000, 0.0007290300000000 ] - [ -0.0098900900000000, -0.0036830600000000, 0.0005433300000000 ] - [ 0.0128001900000000, -0.0069637700000000, 0.0011016300000000 ] - [ 0.0095480800000000, -0.0037027500000000, 0.0004981900000000 ] - [ 0.0064327500000000, -0.0080994700000000, 0.0001073500000000 ] - [ 0.0100440900000000, -0.0037933300000000, 0.0005088200000000 ] - [ 0.0098164800000000, -0.0037123900000000, 0.0005259100000000 ] - [ 0.0097632100000000, -0.0036644800000000, 0.0005243900000000 ] - [ 0.0094852500000000, -0.0037240900000000, 0.0007290300000000 ] - [ 0.0098900900000000, -0.0036830600000000, 0.0005433300000000 ] - [ 0.0089064000000000, 0.0043346600000000, -0.0012917400000000 ] - [ 0.0098363300000000, 0.0037448400000000, 0.0005404700000000 ] - [ 0.0097962300000000, 0.0033485700000000, 0.0005623600000000 ] - [ 0.0097605000000000, 0.0036045600000000, 0.0005005600000000 ] - [ 0.0092207700000000, 0.0036613200000000, 0.0010653500000000 ] - [ 0.0097969100000000, 0.0037568100000000, 0.0004979300000000 ] - [ 0.0096900000000000, 0.0035045700000000, 0.0004864800000000 ] - [ 0.0097818700000000, 0.0036016600000000, 0.0005282200000000 ] - [ 0.0000000000000000, -0.0128611300000000, -0.0030407300000000 ] - [ 0.0000000000000000, -0.0081529100000000, -0.0012104900000000 ] - [ 0.0000000000000000, -0.0075363000000000, -0.0011514400000000 ] - [ 0.0000000000000000, -0.0079328100000000, -0.0011189100000000 ] - [ 0.0000000000000000, -0.0083003000000000, -0.0012994100000000 ] - [ 0.0000000000000000, -0.0081262700000000, -0.0011978000000000 ] - [ 0.0000000000000000, -0.0076651100000000, -0.0012243300000000 ] - [ 0.0000000000000000, -0.0079394500000000, -0.0011905500000000 ] - [ -0.0000496500000000, 0.0081452200000000, -0.0010833600000000 ] - [ 0.0000496500000000, 0.0081452200000000, -0.0010833600000000 ] - [ 0.0002371700000000, 0.0076926500000000, -0.0012796900000000 ] - [ -0.0002371700000000, 0.0076926500000000, -0.0012796900000000 ] - [ -0.0017202500000000, 0.0085949800000000, -0.0019094900000000 ] - [ 0.0017202500000000, 0.0085949800000000, -0.0019094900000000 ] - [ 0.0007533300000000, 0.0073460000000000, -0.0009553000000000 ] - [ -0.0007533300000000, 0.0073460000000000, -0.0009553000000000 ] - [ 0.0000000000000000, 0.0006240900000000, -0.0047001300000000 ] - [ 0.0000000000000000, 0.0005899100000000, -0.0047575800000000 ] - [ 0.0000000000000000, 0.0004530000000000, -0.0056110100000000 ] - [ 0.0000000000000000, 0.0005310500000000, -0.0047652500000000 ] - [ 0.0000000000000000, 0.0010393700000000, -0.0050753500000000 ] - [ 0.0000000000000000, 0.0006596100000000, -0.0047781400000000 ] - [ 0.0000000000000000, -0.0227998300000000, -0.0164267500000000 ] - [ 0.0000000000000000, 0.0004948100000000, -0.0047195400000000 ] - [ -0.0000449200000000, -0.0007081600000000, -0.0048648500000000 ] - [ 0.0000449200000000, -0.0007081600000000, -0.0048648500000000 ] - [ 0.0000582200000000, -0.0004841700000000, -0.0047341100000000 ] - [ -0.0000582200000000, -0.0004841700000000, -0.0047341100000000 ] - [ -0.0000507500000000, -0.0006712000000000, -0.0047462300000000 ] - [ 0.0000507500000000, -0.0006712000000000, -0.0047462300000000 ] - [ 0.0000355900000000, -0.0004853200000000, -0.0047839700000000 ] - [ -0.0000355900000000, -0.0004853200000000, -0.0047839700000000 ] - [ -0.0026866400000000, -0.0018469500000000, -0.0002493700000000 ] - [ -0.0024349300000000, -0.0021685600000000, -0.0010819100000000 ] - [ -0.0016503000000000, -0.0015301600000000, -0.0013895000000000 ] - [ -0.0025905600000000, -0.0020522300000000, -0.0011950500000000 ] - [ -0.0024725700000000, -0.0020588100000000, -0.0012957400000000 ] - [ -0.0023933900000000, -0.0022191000000000, -0.0012134300000000 ] - [ -0.0023885800000000, -0.0020843600000000, -0.0013318500000000 ] - [ -0.0025675700000000, -0.0020617100000000, -0.0011866800000000 ] - [ -0.0026309200000000, 0.0020843700000000, -0.0007689200000000 ] - [ -0.0025315100000000, 0.0021118100000000, -0.0011775400000000 ] - [ -0.0025276500000000, 0.0023526200000000, -0.0012401400000000 ] - [ -0.0024757000000000, 0.0021928500000000, -0.0011753500000000 ] - [ -0.0184116200000000, -0.0049896400000000, 0.0070075300000000 ] - [ -0.0024466300000000, 0.0019099600000000, -0.0010907900000000 ] - [ -0.0021887000000000, 0.0031338500000000, -0.0008898600000000 ] - [ -0.0025730000000000, 0.0023359700000000, -0.0012149300000000 ] - [ 0.0026866400000000, -0.0018469500000000, -0.0002493700000000 ] - [ 0.0024349300000000, -0.0021685600000000, -0.0010819100000000 ] - [ 0.0016503000000000, -0.0015301600000000, -0.0013895000000000 ] - [ 0.0025905600000000, -0.0020522300000000, -0.0011950500000000 ] - [ 0.0024725700000000, -0.0020588100000000, -0.0012957400000000 ] - [ 0.0023933900000000, -0.0022191000000000, -0.0012134300000000 ] - [ 0.0023885800000000, -0.0020843600000000, -0.0013318500000000 ] - [ 0.0025675700000000, -0.0020617100000000, -0.0011866800000000 ] - [ 0.0026309200000000, 0.0020843700000000, -0.0007689200000000 ] - [ 0.0025315100000000, 0.0021118100000000, -0.0011775400000000 ] - [ 0.0025276500000000, 0.0023526200000000, -0.0012401400000000 ] - [ 0.0024757000000000, 0.0021928500000000, -0.0011753500000000 ] - [ 0.0184116200000000, -0.0049896400000000, 0.0070075300000000 ] - [ 0.0024466300000000, 0.0019099600000000, -0.0010907900000000 ] - [ 0.0021887000000000, 0.0031338500000000, -0.0008898600000000 ] - [ 0.0025730000000000, 0.0023359700000000, -0.0012149300000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0007220500000000, -0.0117222800000000, 0.0001134900000000 ] - [ -0.0007220500000000, -0.0117222800000000, 0.0001134900000000 ] - [ 0.0002994800000000, -0.0116574100000000, 0.0002425000000000 ] - [ -0.0002994800000000, -0.0116574100000000, 0.0002425000000000 ] - [ -0.0002446800000000, -0.0115884000000000, 0.0010006100000000 ] - [ 0.0002446800000000, -0.0115884000000000, 0.0010006100000000 ] - [ -0.0000506400000000, -0.0114846800000000, 0.0003561900000000 ] - [ 0.0000506400000000, -0.0114846800000000, 0.0003561900000000 ] - [ 0.0000000000000000, 0.0118877300000000, 0.0001161200000000 ] - [ 0.0000000000000000, 0.0114939400000000, 0.0002458400000000 ] - [ 0.0000000000000000, 0.0072778700000000, 0.0061178500000000 ] - [ 0.0000000000000000, 0.0115215400000000, 0.0002147800000000 ] - [ 0.0000000000000000, 0.0110979500000000, 0.0005098800000000 ] - [ 0.0000000000000000, 0.0114902800000000, 0.0003378600000000 ] - [ 0.0000000000000000, 0.0140418300000000, 0.0049776400000000 ] - [ 0.0000000000000000, 0.0115173800000000, 0.0003754500000000 ] - [ 0.0000000000000000, 0.0095083200000000, -0.1109116900000000 ] - [ 0.0000000000000000, 0.0040402900000000, 0.0066426600000000 ] - [ 0.0000000000000000, 0.0040034700000000, 0.0067142000000000 ] - [ 0.0000000000000000, 0.0040475800000000, 0.0068079100000000 ] - [ 0.0000000000000000, 0.0038757700000000, 0.0086588800000000 ] - [ 0.0000000000000000, 0.0040376800000000, 0.0070816800000000 ] - [ 0.0000000000000000, 0.0040172200000000, 0.0071732300000000 ] - [ 0.0000000000000000, 0.0040114900000000, 0.0070692800000000 ] - [ -0.0002059600000000, -0.0038206300000000, 0.0069719900000000 ] - [ 0.0002059600000000, -0.0038206300000000, 0.0069719900000000 ] - [ -0.0003609800000000, -0.0041569400000000, 0.0069890100000000 ] - [ 0.0003609800000000, -0.0041569400000000, 0.0069890100000000 ] - [ 0.0001236800000000, -0.0041608300000000, 0.0069843600000000 ] - [ -0.0001236800000000, -0.0041608300000000, 0.0069843600000000 ] - [ 0.0002064600000000, -0.0039244100000000, 0.0070017200000000 ] - [ -0.0002064600000000, -0.0039244100000000, 0.0070017200000000 ] - [ -0.0129216100000000, 0.0055434100000000, 0.0077007300000000 ] - [ -0.0096256800000000, 0.0035852500000000, 0.0003756600000000 ] - [ -0.0099466600000000, 0.0034685200000000, 0.0004521100000000 ] - [ -0.0097470600000000, 0.0036581400000000, 0.0004531800000000 ] - [ -0.0079637700000000, 0.0022696600000000, 0.0053569400000000 ] - [ -0.0098660700000000, 0.0037809300000000, 0.0006524700000000 ] - [ -0.0097169300000000, 0.0036948900000000, 0.0005866600000000 ] - [ -0.0098188700000000, 0.0036703400000000, 0.0005764700000000 ] - [ -0.0107901600000000, -0.0043299000000000, 0.0001740400000000 ] - [ -0.0096721600000000, -0.0036688900000000, 0.0004047500000000 ] - [ -0.0096905600000000, -0.0026345800000000, 0.0001678000000000 ] - [ -0.0097697200000000, -0.0036341400000000, 0.0004280800000000 ] - [ -0.0098477000000000, -0.0034893300000000, 0.0015592200000000 ] - [ -0.0098422300000000, -0.0036711300000000, 0.0006259600000000 ] - [ -0.0097265400000000, -0.0037464900000000, 0.0012951300000000 ] - [ -0.0099535700000000, -0.0037477100000000, 0.0006336000000000 ] - [ 0.0107901600000000, -0.0043299000000000, 0.0001740400000000 ] - [ 0.0096721600000000, -0.0036688900000000, 0.0004047500000000 ] - [ 0.0096905600000000, -0.0026345800000000, 0.0001678000000000 ] - [ 0.0097697200000000, -0.0036341400000000, 0.0004280800000000 ] - [ 0.0098477000000000, -0.0034893300000000, 0.0015592200000000 ] - [ 0.0098422300000000, -0.0036711300000000, 0.0006259600000000 ] - [ 0.0097265400000000, -0.0037464900000000, 0.0012951300000000 ] - [ 0.0099535700000000, -0.0037477100000000, 0.0006336000000000 ] - [ 0.0129216100000000, 0.0055434100000000, 0.0077007300000000 ] - [ 0.0096256800000000, 0.0035852500000000, 0.0003756600000000 ] - [ 0.0099466600000000, 0.0034685200000000, 0.0004521100000000 ] - [ 0.0097470600000000, 0.0036581400000000, 0.0004531800000000 ] - [ 0.0079637700000000, 0.0022696600000000, 0.0053569400000000 ] - [ 0.0098660700000000, 0.0037809300000000, 0.0006524700000000 ] - [ 0.0097169300000000, 0.0036948900000000, 0.0005866600000000 ] - [ 0.0098188700000000, 0.0036703400000000, 0.0005764700000000 ] - [ 0.0000000000000000, -0.0073350200000000, 0.0659052600000000 ] - [ 0.0000000000000000, -0.0078421300000000, -0.0006998900000000 ] - [ 0.0000000000000000, -0.0081371400000000, -0.0006287400000000 ] - [ 0.0000000000000000, -0.0080034200000000, -0.0009675200000000 ] - [ 0.0000000000000000, -0.0087160200000000, -0.0037485100000000 ] - [ 0.0000000000000000, -0.0081908500000000, -0.0014649700000000 ] - [ 0.0000000000000000, -0.0078325100000000, -0.0015771000000000 ] - [ 0.0000000000000000, -0.0080121400000000, -0.0013367700000000 ] - [ 0.0000459800000000, 0.0079883700000000, -0.0012731200000000 ] - [ -0.0000459800000000, 0.0079883700000000, -0.0012731200000000 ] - [ 0.0001304900000000, 0.0080700900000000, -0.0012382700000000 ] - [ -0.0001304900000000, 0.0080700900000000, -0.0012382700000000 ] - [ -0.0004296900000000, 0.0080988600000000, -0.0014590800000000 ] - [ 0.0004296900000000, 0.0080988600000000, -0.0014590800000000 ] - [ -0.0000975300000000, 0.0076940100000000, -0.0011388800000000 ] - [ 0.0000975300000000, 0.0076940100000000, -0.0011388800000000 ] - [ 0.0000000000000000, 0.0005276300000000, -0.0048664700000000 ] - [ 0.0000000000000000, 0.0005589700000000, -0.0047720700000000 ] - [ 0.0000000000000000, 0.0004744600000000, -0.0059801100000000 ] - [ 0.0000000000000000, 0.0005295100000000, -0.0047664800000000 ] - [ 0.0000000000000000, 0.0006954000000000, -0.0047139200000000 ] - [ 0.0000000000000000, 0.0005987700000000, -0.0047563100000000 ] - [ 0.0000000000000000, 0.0097554200000000, -0.0011226500000000 ] - [ 0.0000000000000000, 0.0005506500000000, -0.0047482500000000 ] - [ 0.0006771900000000, -0.0002895500000000, -0.0044682700000000 ] - [ -0.0006771900000000, -0.0002895500000000, -0.0044682700000000 ] - [ 0.0000700500000000, -0.0005586600000000, -0.0046173600000000 ] - [ -0.0000700500000000, -0.0005586600000000, -0.0046173600000000 ] - [ -0.0005002300000000, -0.0009216500000000, -0.0050594800000000 ] - [ 0.0005002300000000, -0.0009216500000000, -0.0050594800000000 ] - [ -0.0000308100000000, -0.0005422800000000, -0.0048511700000000 ] - [ 0.0000308100000000, -0.0005422800000000, -0.0048511700000000 ] - [ -0.0021251500000000, -0.0037149200000000, -0.0001919500000000 ] - [ -0.0025788900000000, -0.0021883100000000, -0.0009214400000000 ] - [ -0.0012313100000000, -0.0012002100000000, -0.0003587900000000 ] - [ -0.0026256000000000, -0.0020443500000000, -0.0009146300000000 ] - [ -0.0026313800000000, -0.0007636800000000, -0.0018242100000000 ] - [ -0.0024080600000000, -0.0020909800000000, -0.0013561400000000 ] - [ -0.0034212800000000, -0.0026239800000000, -0.0016513100000000 ] - [ -0.0024272200000000, -0.0021795300000000, -0.0013980100000000 ] - [ -0.0022827500000000, 0.0022998900000000, -0.0039266700000000 ] - [ -0.0023684000000000, 0.0020898600000000, -0.0012628300000000 ] - [ -0.0025202500000000, 0.0022520100000000, -0.0013078600000000 ] - [ -0.0024510100000000, 0.0021730300000000, -0.0011940300000000 ] - [ -0.0144538500000000, -0.0049887800000000, 0.0069033000000000 ] - [ -0.0026617000000000, 0.0022250200000000, -0.0011650700000000 ] - [ -0.0025408300000000, 0.0020770000000000, -0.0011778300000000 ] - [ -0.0025990300000000, 0.0021594100000000, -0.0011931200000000 ] - [ 0.0021251500000000, -0.0037149200000000, -0.0001919500000000 ] - [ 0.0025788900000000, -0.0021883100000000, -0.0009214400000000 ] - [ 0.0012313100000000, -0.0012002100000000, -0.0003587900000000 ] - [ 0.0026256000000000, -0.0020443500000000, -0.0009146300000000 ] - [ 0.0026313800000000, -0.0007636800000000, -0.0018242100000000 ] - [ 0.0024080600000000, -0.0020909800000000, -0.0013561400000000 ] - [ 0.0034212800000000, -0.0026239800000000, -0.0016513100000000 ] - [ 0.0024272200000000, -0.0021795300000000, -0.0013980100000000 ] - [ 0.0022827500000000, 0.0022998900000000, -0.0039266700000000 ] - [ 0.0023684000000000, 0.0020898600000000, -0.0012628300000000 ] - [ 0.0025202500000000, 0.0022520100000000, -0.0013078600000000 ] - [ 0.0024510100000000, 0.0021730300000000, -0.0011940300000000 ] - [ 0.0144538500000000, -0.0049887800000000, 0.0069033000000000 ] - [ 0.0026617000000000, 0.0022250200000000, -0.0011650700000000 ] - [ 0.0025408300000000, 0.0020770000000000, -0.0011778300000000 ] - [ 0.0025990300000000, 0.0021594100000000, -0.0011931200000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0006915600000000, -0.0113614600000000, 0.0006201200000000 ] - [ 0.0006915600000000, -0.0113614600000000, 0.0006201200000000 ] - [ -0.0003011700000000, -0.0114892500000000, 0.0004542500000000 ] - [ 0.0003011700000000, -0.0114892500000000, 0.0004542500000000 ] - [ 0.0002409200000000, -0.0114814400000000, -0.0002684600000000 ] - [ -0.0002409200000000, -0.0114814400000000, -0.0002684600000000 ] - [ 0.0000399900000000, -0.0116376900000000, 0.0003631700000000 ] - [ -0.0000399900000000, -0.0116376900000000, 0.0003631700000000 ] - [ 0.0000000000000000, 0.0111690300000000, 0.0006103500000000 ] - [ 0.0000000000000000, 0.0115659000000000, 0.0004904800000000 ] - [ 0.0000000000000000, 0.0157548600000000, -0.0052954300000000 ] - [ 0.0000000000000000, 0.0116293100000000, 0.0005017500000000 ] - [ 0.0000000000000000, 0.0119810300000000, 0.0002322600000000 ] - [ 0.0000000000000000, 0.0116688800000000, 0.0003622200000000 ] - [ 0.0000000000000000, 0.0090849100000000, -0.0043068000000000 ] - [ 0.0000000000000000, 0.0115836800000000, 0.0003532000000000 ] - [ 0.0000000000000000, -0.0015971300000000, 0.1213468300000000 ] - [ 0.0000000000000000, 0.0039123600000000, 0.0074537400000000 ] - [ 0.0000000000000000, 0.0039492100000000, 0.0073022800000000 ] - [ 0.0000000000000000, 0.0039136900000000, 0.0072247700000000 ] - [ 0.0000000000000000, 0.0040722700000000, 0.0053988300000000 ] - [ 0.0000000000000000, 0.0039105800000000, 0.0069566400000000 ] - [ 0.0000000000000000, 0.0039360700000000, 0.0068542700000000 ] - [ 0.0000000000000000, 0.0039416600000000, 0.0070012700000000 ] - [ 0.0002068400000000, -0.0041335800000000, 0.0071083500000000 ] - [ -0.0002068400000000, -0.0041335800000000, 0.0071083500000000 ] - [ 0.0003608700000000, -0.0037894000000000, 0.0070416800000000 ] - [ -0.0003608700000000, -0.0037894000000000, 0.0070416800000000 ] - [ -0.0001400500000000, -0.0037807100000000, 0.0071132800000000 ] - [ 0.0001400500000000, -0.0037807100000000, 0.0071132800000000 ] - [ -0.0002151500000000, -0.0040224300000000, 0.0070516000000000 ] - [ 0.0002151500000000, -0.0040224300000000, 0.0070516000000000 ] - [ -0.0066960300000000, 0.0017276100000000, -0.0066717200000000 ] - [ -0.0098914100000000, 0.0036264100000000, 0.0005288200000000 ] - [ -0.0096350400000000, 0.0037650000000000, 0.0004724200000000 ] - [ -0.0098367400000000, 0.0035707800000000, 0.0004833100000000 ] - [ -0.0115962300000000, 0.0049456300000000, -0.0045170200000000 ] - [ -0.0097202000000000, 0.0034621400000000, 0.0002669000000000 ] - [ -0.0098699800000000, 0.0035386400000000, 0.0003392900000000 ] - [ -0.0097080600000000, 0.0035406400000000, 0.0003199400000000 ] - [ -0.0087669500000000, -0.0029058300000000, 0.0007538000000000 ] - [ -0.0098684400000000, -0.0035527300000000, 0.0004974700000000 ] - [ -0.0099118600000000, -0.0045825500000000, 0.0007547500000000 ] - [ -0.0097980800000000, -0.0036059800000000, 0.0004812300000000 ] - [ -0.0097034600000000, -0.0037329200000000, -0.0006572300000000 ] - [ -0.0097157300000000, -0.0035493500000000, 0.0002888500000000 ] - [ -0.0098820900000000, -0.0035146500000000, -0.0003692400000000 ] - [ -0.0096419000000000, -0.0035172900000000, 0.0002913800000000 ] - [ 0.0087669500000000, -0.0029058300000000, 0.0007538000000000 ] - [ 0.0098684400000000, -0.0035527300000000, 0.0004974700000000 ] - [ 0.0099118600000000, -0.0045825500000000, 0.0007547500000000 ] - [ 0.0097980800000000, -0.0036059800000000, 0.0004812300000000 ] - [ 0.0097034600000000, -0.0037329200000000, -0.0006572300000000 ] - [ 0.0097157300000000, -0.0035493500000000, 0.0002888500000000 ] - [ 0.0098820900000000, -0.0035146500000000, -0.0003692400000000 ] - [ 0.0096419000000000, -0.0035172900000000, 0.0002913800000000 ] - [ 0.0066960300000000, 0.0017276100000000, -0.0066717200000000 ] - [ 0.0098914100000000, 0.0036264100000000, 0.0005288200000000 ] - [ 0.0096350400000000, 0.0037650000000000, 0.0004724200000000 ] - [ 0.0098367400000000, 0.0035707800000000, 0.0004833100000000 ] - [ 0.0115962300000000, 0.0049456300000000, -0.0045170200000000 ] - [ 0.0097202000000000, 0.0034621400000000, 0.0002669000000000 ] - [ 0.0098699800000000, 0.0035386400000000, 0.0003392900000000 ] - [ 0.0097080600000000, 0.0035406400000000, 0.0003199400000000 ] - [ 0.0000000000000000, -0.0086955100000000, -0.0647497200000000 ] - [ 0.0000000000000000, -0.0081757100000000, -0.0015900300000000 ] - [ 0.0000000000000000, -0.0078476900000000, -0.0016390200000000 ] - [ 0.0000000000000000, -0.0079765800000000, -0.0013431700000000 ] - [ 0.0000000000000000, -0.0072846300000000, 0.0014688700000000 ] - [ 0.0000000000000000, -0.0078533600000000, -0.0008403600000000 ] - [ 0.0000000000000000, -0.0081912000000000, -0.0007359100000000 ] - [ 0.0000000000000000, -0.0080201300000000, -0.0009378600000000 ] - [ -0.0000249600000000, 0.0080460600000000, -0.0010278000000000 ] - [ 0.0000249600000000, 0.0080460600000000, -0.0010278000000000 ] - [ -0.0001635700000000, 0.0079770200000000, -0.0010912300000000 ] - [ 0.0001635700000000, 0.0079770200000000, -0.0010912300000000 ] - [ 0.0004661100000000, 0.0079464200000000, -0.0008498100000000 ] - [ -0.0004661100000000, 0.0079464200000000, -0.0008498100000000 ] - [ 0.0000920400000000, 0.0083256900000000, -0.0011506200000000 ] - [ -0.0000920400000000, 0.0083256900000000, -0.0011506200000000 ] - [ 0.0000000000000000, 0.0006412200000000, -0.0046938200000000 ] - [ 0.0000000000000000, 0.0006153600000000, -0.0047917000000000 ] - [ 0.0000000000000000, 0.0006941800000000, -0.0035922400000000 ] - [ 0.0000000000000000, 0.0006396800000000, -0.0047991600000000 ] - [ 0.0000000000000000, 0.0004816500000000, -0.0048609800000000 ] - [ 0.0000000000000000, 0.0005751800000000, -0.0048106600000000 ] - [ 0.0000000000000000, -0.0088141800000000, -0.0084243800000000 ] - [ 0.0000000000000000, 0.0006242300000000, -0.0048130600000000 ] - [ -0.0006751600000000, -0.0008877200000000, -0.0050955000000000 ] - [ 0.0006751600000000, -0.0008877200000000, -0.0050955000000000 ] - [ -0.0000695200000000, -0.0006178400000000, -0.0049455800000000 ] - [ 0.0000695200000000, -0.0006178400000000, -0.0049455800000000 ] - [ 0.0005109500000000, -0.0002528900000000, -0.0045093300000000 ] - [ -0.0005109500000000, -0.0002528900000000, -0.0045093300000000 ] - [ 0.0000302700000000, -0.0006373800000000, -0.0047127700000000 ] - [ -0.0000302700000000, -0.0006373800000000, -0.0047127700000000 ] - [ -0.0028500600000000, -0.0005540600000000, -0.0022012700000000 ] - [ -0.0024000000000000, -0.0020706500000000, -0.0014555400000000 ] - [ -0.0037435400000000, -0.0030464400000000, -0.0019988600000000 ] - [ -0.0023573600000000, -0.0022101800000000, -0.0014548700000000 ] - [ -0.0023356900000000, -0.0034911800000000, -0.0005402700000000 ] - [ -0.0025579400000000, -0.0021361000000000, -0.0010032500000000 ] - [ -0.0015493600000000, -0.0016446800000000, -0.0007143700000000 ] - [ -0.0025276400000000, -0.0020771600000000, -0.0009850500000000 ] - [ -0.0026672100000000, 0.0019561400000000, 0.0015419400000000 ] - [ -0.0025941600000000, 0.0021481200000000, -0.0011145700000000 ] - [ -0.0024661700000000, 0.0019893600000000, -0.0010762700000000 ] - [ -0.0025257400000000, 0.0020943400000000, -0.0011890400000000 ] - [ 0.0097710800000000, 0.0094011900000000, -0.0092540400000000 ] - [ -0.0022973800000000, 0.0020230900000000, -0.0012012000000000 ] - [ -0.0024051900000000, 0.0021730600000000, -0.0012039800000000 ] - [ -0.0023715000000000, 0.0020817900000000, -0.0011804700000000 ] - [ 0.0028500600000000, -0.0005540600000000, -0.0022012700000000 ] - [ 0.0024000000000000, -0.0020706500000000, -0.0014555400000000 ] - [ 0.0037435400000000, -0.0030464400000000, -0.0019988600000000 ] - [ 0.0023573600000000, -0.0022101800000000, -0.0014548700000000 ] - [ 0.0023356900000000, -0.0034911800000000, -0.0005402700000000 ] - [ 0.0025579400000000, -0.0021361000000000, -0.0010032500000000 ] - [ 0.0015493600000000, -0.0016446800000000, -0.0007143700000000 ] - [ 0.0025276400000000, -0.0020771600000000, -0.0009850500000000 ] - [ 0.0026672100000000, 0.0019561400000000, 0.0015419400000000 ] - [ 0.0025941600000000, 0.0021481200000000, -0.0011145700000000 ] - [ 0.0024661700000000, 0.0019893600000000, -0.0010762700000000 ] - [ 0.0025257400000000, 0.0020943400000000, -0.0011890400000000 ] - [ -0.0097710800000000, 0.0094011900000000, -0.0092540400000000 ] - [ 0.0022973800000000, 0.0020230900000000, -0.0012012000000000 ] - [ 0.0024051900000000, 0.0021730600000000, -0.0012039800000000 ] - [ 0.0023715000000000, 0.0020817900000000, -0.0011804700000000 ]- atom: 33 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0012261500000000, -0.0097280900000000, 0.0025927700000000 ] - [ 0.0004430600000000, -0.0116763700000000, 0.0001370400000000 ] - [ -0.0001129000000000, -0.0116751600000000, 0.0003008900000000 ] - [ 0.0001571600000000, -0.0114603100000000, 0.0002585500000000 ] - [ 0.0016190400000000, -0.0097828000000000, -0.0017260100000000 ] - [ 0.0003470400000000, -0.0116180600000000, 0.0005622400000000 ] - [ -0.0000685300000000, -0.0119240000000000, 0.0000173900000000 ] - [ 0.0001369700000000, -0.0114298300000000, 0.0003597400000000 ] - [ 0.0002103100000000, 0.0133584000000000, 0.0004120100000000 ] - [ 0.0005003500000000, 0.0115052700000000, 0.0003248300000000 ] - [ 0.0017814800000000, 0.0078440100000000, -0.0005256900000000 ] - [ 0.0003472700000000, 0.0116396900000000, 0.0003219000000000 ] - [ -0.0003546000000000, 0.0114195900000000, 0.0002524700000000 ] - [ 0.0002136000000000, 0.0114627000000000, 0.0002735700000000 ] - [ -0.0002292700000000, 0.0112035800000000, 0.0002056700000000 ] - [ 0.0002148600000000, 0.0115486300000000, 0.0002801700000000 ] - [ 0.0015078600000000, 0.0031501700000000, 0.0038347300000000 ] - [ 0.0003116500000000, 0.0040921900000000, 0.0070967100000000 ] - [ -0.0002216300000000, 0.0040549800000000, 0.0068142100000000 ] - [ 0.0002179900000000, 0.0040184000000000, 0.0070190100000000 ] - [ 0.0004696400000000, 0.0034768600000000, 0.0087909200000000 ] - [ 0.0004178400000000, 0.0040563200000000, 0.0069004000000000 ] - [ -0.0002565300000000, 0.0039499100000000, 0.0070477300000000 ] - [ 0.0002437500000000, 0.0040399100000000, 0.0069028100000000 ] - [ 0.0025066700000000, -0.0070625800000000, 0.0059581800000000 ] - [ 0.0003757100000000, -0.0038015100000000, 0.0070631800000000 ] - [ 0.0014523300000000, -0.0007291100000000, 0.0070763300000000 ] - [ 0.0004935200000000, -0.0043037500000000, 0.0069868900000000 ] - [ 0.0000223000000000, -0.0040737000000000, 0.0068936800000000 ] - [ 0.0001411300000000, -0.0040206300000000, 0.0068966000000000 ] - [ -0.0002180700000000, -0.0037428800000000, 0.0070373200000000 ] - [ 0.0001435800000000, -0.0041498900000000, 0.0068155600000000 ] - [ -0.1001775800000000, 0.0225376100000000, 0.0155383400000000 ] - [ -0.0080146800000000, 0.0033770300000000, 0.0002915400000000 ] - [ -0.0103469500000000, 0.0036614200000000, 0.0006787100000000 ] - [ -0.0094031800000000, 0.0035176300000000, 0.0004651000000000 ] - [ -0.0102154100000000, 0.0039502600000000, 0.0004650200000000 ] - [ -0.0094912700000000, 0.0036449600000000, 0.0004206000000000 ] - [ -0.0099955500000000, 0.0036667400000000, 0.0005020500000000 ] - [ -0.0095913900000000, 0.0035951000000000, 0.0004694000000000 ] - [ -0.0095685000000000, -0.0033513900000000, 0.0002264000000000 ] - [ -0.0097004700000000, -0.0037261200000000, 0.0006563200000000 ] - [ -0.0096306100000000, -0.0039004300000000, 0.0003223400000000 ] - [ -0.0097763600000000, -0.0035570200000000, 0.0004992300000000 ] - [ -0.0097011500000000, -0.0034221100000000, 0.0008214500000000 ] - [ -0.0095665100000000, -0.0037263600000000, 0.0002294400000000 ] - [ -0.0097772400000000, -0.0037787100000000, 0.0006486700000000 ] - [ -0.0096300700000000, -0.0033994100000000, 0.0004292200000000 ] - [ 0.0092221600000000, -0.0038564900000000, 0.0013669500000000 ] - [ 0.0100317900000000, -0.0036880000000000, 0.0005423300000000 ] - [ 0.0093744700000000, -0.0036411600000000, 0.0003391800000000 ] - [ 0.0100846000000000, -0.0038186300000000, 0.0005528700000000 ] - [ 0.0092260900000000, -0.0046122800000000, -0.0012407900000000 ] - [ 0.0100282000000000, -0.0037037100000000, 0.0006098400000000 ] - [ 0.0093710900000000, -0.0035029300000000, 0.0004938100000000 ] - [ 0.0100873300000000, -0.0038102000000000, 0.0006331100000000 ] - [ 0.0184277300000000, 0.0032380900000000, 0.0000315900000000 ] - [ 0.0143022800000000, 0.0047000300000000, 0.0011776900000000 ] - [ 0.0102529300000000, 0.0035160200000000, 0.0005420800000000 ] - [ 0.0104165200000000, 0.0037339500000000, 0.0006177100000000 ] - [ 0.0097826600000000, 0.0038473200000000, 0.0003803000000000 ] - [ 0.0100735300000000, 0.0036561900000000, 0.0005124800000000 ] - [ 0.0096549900000000, 0.0035319500000000, 0.0004720500000000 ] - [ 0.0099280200000000, 0.0037237100000000, 0.0004946400000000 ] - [ 0.0496421000000000, -0.0304727100000000, -0.0171927200000000 ] - [ -0.0014491600000000, -0.0086986400000000, -0.0017153300000000 ] - [ 0.0005697500000000, -0.0085409000000000, -0.0006988800000000 ] - [ -0.0006003000000000, -0.0079530300000000, -0.0013017000000000 ] - [ 0.0006397500000000, -0.0083740300000000, -0.0018468900000000 ] - [ -0.0004123100000000, -0.0080545600000000, -0.0010664900000000 ] - [ 0.0002302900000000, -0.0079014300000000, -0.0012041100000000 ] - [ -0.0002277000000000, -0.0079661600000000, -0.0011058700000000 ] - [ -0.0001852000000000, 0.0082493100000000, 0.0001589800000000 ] - [ -0.0003023100000000, 0.0080067900000000, -0.0014259600000000 ] - [ 0.0003651400000000, 0.0067985600000000, -0.0011580400000000 ] - [ -0.0002301000000000, 0.0082546900000000, -0.0015547200000000 ] - [ -0.0000345500000000, 0.0081545500000000, -0.0011068600000000 ] - [ -0.0004174000000000, 0.0079835600000000, -0.0010935200000000 ] - [ 0.0005981200000000, 0.0070336000000000, -0.0008464800000000 ] - [ -0.0002968200000000, 0.0083717300000000, -0.0010683800000000 ] - [ 0.0003308700000000, 0.0007013200000000, -0.0050053400000000 ] - [ -0.0001821200000000, 0.0005831700000000, -0.0047342300000000 ] - [ 0.0001630000000000, 0.0008605000000000, -0.0050656500000000 ] - [ -0.0001689900000000, 0.0005316800000000, -0.0047514300000000 ] - [ 0.0002606000000000, 0.0005992600000000, -0.0047253900000000 ] - [ -0.0001485100000000, 0.0005715400000000, -0.0047566700000000 ] - [ 0.0001717600000000, 0.0009812700000000, -0.0045880300000000 ] - [ -0.0001238100000000, 0.0005157400000000, -0.0047498600000000 ] - [ 0.0149823800000000, 0.0060641200000000, 0.0001472000000000 ] - [ -0.0013247200000000, 0.0002284800000000, -0.0043022800000000 ] - [ 0.0002053700000000, -0.0001243500000000, -0.0050288900000000 ] - [ -0.0001511800000000, -0.0006327600000000, -0.0047260900000000 ] - [ 0.0001782100000000, -0.0004220900000000, -0.0043621800000000 ] - [ -0.0000920700000000, -0.0006121400000000, -0.0048289600000000 ] - [ 0.0000370600000000, -0.0004916400000000, -0.0046560500000000 ] - [ -0.0000401500000000, -0.0006092000000000, -0.0047886100000000 ] - [ -0.0015153800000000, -0.0012328300000000, -0.0026694300000000 ] - [ -0.0029873800000000, -0.0022687500000000, -0.0011519200000000 ] - [ -0.0011351300000000, -0.0018330800000000, -0.0011531500000000 ] - [ -0.0030796600000000, -0.0020279200000000, -0.0011213900000000 ] - [ -0.0022441500000000, -0.0023862800000000, -0.0005314100000000 ] - [ -0.0027164500000000, -0.0021747500000000, -0.0012036400000000 ] - [ -0.0019777000000000, -0.0020518400000000, -0.0011098200000000 ] - [ -0.0027789100000000, -0.0021023500000000, -0.0012171000000000 ] - [ -0.0028582500000000, 0.0020364600000000, -0.0030493100000000 ] - [ -0.0032785500000000, 0.0023820900000000, -0.0008363200000000 ] - [ -0.0024005200000000, 0.0023027300000000, -0.0014685400000000 ] - [ -0.0026959400000000, 0.0020644700000000, -0.0010360400000000 ] - [ -0.0031266800000000, 0.0015935100000000, -0.0007624700000000 ] - [ -0.0028136000000000, 0.0022348800000000, -0.0011411400000000 ] - [ -0.0024124600000000, 0.0024017100000000, -0.0010778100000000 ] - [ -0.0025920800000000, 0.0020716000000000, -0.0011778200000000 ] - [ 0.0022159700000000, -0.0039648600000000, -0.0006136300000000 ] - [ 0.0015874800000000, -0.0019678100000000, -0.0016038200000000 ] - [ 0.0016181000000000, -0.0017171000000000, -0.0007516000000000 ] - [ 0.0020254400000000, -0.0020434400000000, -0.0014404900000000 ] - [ 0.0026552800000000, -0.0024070800000000, -0.0013331700000000 ] - [ 0.0023544400000000, -0.0020284600000000, -0.0009667600000000 ] - [ 0.0024628500000000, -0.0020019000000000, -0.0012568100000000 ] - [ 0.0023063400000000, -0.0021586700000000, -0.0010090400000000 ] - [ 0.0038909900000000, 0.0009834600000000, -0.0004369500000000 ] - [ 0.0020254600000000, 0.0020782200000000, -0.0012735400000000 ] - [ 0.0028293200000000, 0.0022237100000000, -0.0013106900000000 ] - [ 0.0022395700000000, 0.0022111100000000, -0.0011955300000000 ] - [ 0.0037144200000000, 0.0016129600000000, -0.0009756900000000 ] - [ 0.0019845200000000, 0.0020078300000000, -0.0010952400000000 ] - [ 0.0027511000000000, 0.0022690300000000, -0.0011215700000000 ] - [ 0.0022473500000000, 0.0022121600000000, -0.0011302000000000 ]- atom: 33 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0012334000000000, -0.0132756300000000, -0.0020266700000000 ] - [ -0.0004403500000000, -0.0113234000000000, 0.0004411500000000 ] - [ 0.0001126100000000, -0.0113156900000000, 0.0002782400000000 ] - [ -0.0001563500000000, -0.0115243800000000, 0.0003222300000000 ] - [ -0.0016294200000000, -0.0132291000000000, 0.0023083200000000 ] - [ -0.0003450700000000, -0.0113736900000000, 0.0000209700000000 ] - [ 0.0000687700000000, -0.0110721500000000, 0.0005616800000000 ] - [ -0.0001363100000000, -0.0115657800000000, 0.0002186100000000 ] - [ -0.0002164200000000, 0.0096297000000000, 0.0001700200000000 ] - [ -0.0004969800000000, 0.0114901200000000, 0.0002533000000000 ] - [ -0.0017650000000000, 0.0151007000000000, 0.0011061300000000 ] - [ -0.0003437500000000, 0.0113502900000000, 0.0002584300000000 ] - [ 0.0003532000000000, 0.0115761500000000, 0.0003267100000000 ] - [ -0.0002124700000000, 0.0115242500000000, 0.0003079000000000 ] - [ 0.0002273900000000, 0.0117817400000000, 0.0003746200000000 ] - [ -0.0002130000000000, 0.0114483400000000, 0.0002975800000000 ] - [ -0.0014902300000000, 0.0049254100000000, 0.0100215100000000 ] - [ -0.0003075900000000, 0.0040018700000000, 0.0068019800000000 ] - [ 0.0002201100000000, 0.0040394300000000, 0.0070916100000000 ] - [ -0.0002161900000000, 0.0040762700000000, 0.0068871800000000 ] - [ -0.0004716500000000, 0.0046171000000000, 0.0051031000000000 ] - [ -0.0004151200000000, 0.0040384100000000, 0.0070064400000000 ] - [ 0.0002560400000000, 0.0041454000000000, 0.0068581500000000 ] - [ -0.0002416400000000, 0.0040556200000000, 0.0069930800000000 ] - [ -0.0025184600000000, -0.0010150500000000, 0.0079564100000000 ] - [ -0.0003736000000000, -0.0042893000000000, 0.0068437000000000 ] - [ -0.0014588500000000, -0.0073907600000000, 0.0068258600000000 ] - [ -0.0004924200000000, -0.0037933300000000, 0.0069122500000000 ] - [ -0.0000223500000000, -0.0040216700000000, 0.0070059700000000 ] - [ -0.0001399000000000, -0.0040749100000000, 0.0069982400000000 ] - [ 0.0002173800000000, -0.0043500800000000, 0.0068678600000000 ] - [ -0.0001427800000000, -0.0039453900000000, 0.0070926800000000 ] - [ 0.0795159200000000, -0.0131811300000000, -0.0130899700000000 ] - [ -0.0115646300000000, 0.0039819900000000, 0.0007450300000000 ] - [ -0.0092340500000000, 0.0036960800000000, 0.0003562500000000 ] - [ -0.0101711100000000, 0.0038378100000000, 0.0005689300000000 ] - [ -0.0093743400000000, 0.0034116800000000, 0.0005754900000000 ] - [ -0.0100828800000000, 0.0037109900000000, 0.0006135900000000 ] - [ -0.0095824000000000, 0.0036907500000000, 0.0005329400000000 ] - [ -0.0099929500000000, 0.0037661100000000, 0.0005682400000000 ] - [ -0.0100158000000000, -0.0040087000000000, 0.0008083000000000 ] - [ -0.0098793100000000, -0.0036351900000000, 0.0003781800000000 ] - [ -0.0099444900000000, -0.0034566000000000, 0.0007101100000000 ] - [ -0.0098017300000000, -0.0037982500000000, 0.0005367700000000 ] - [ -0.0098751800000000, -0.0039336700000000, 0.0002152200000000 ] - [ -0.0100115900000000, -0.0036318400000000, 0.0008052000000000 ] - [ -0.0098067300000000, -0.0035826100000000, 0.0003878700000000 ] - [ -0.0099454100000000, -0.0039584000000000, 0.0006005700000000 ] - [ 0.0103611200000000, -0.0035099700000000, -0.0003336500000000 ] - [ 0.0095555800000000, -0.0036731000000000, 0.0004942600000000 ] - [ 0.0102028600000000, -0.0037135100000000, 0.0006944300000000 ] - [ 0.0094915400000000, -0.0035368600000000, 0.0004792100000000 ] - [ 0.0103600500000000, -0.0027483600000000, 0.0022561400000000 ] - [ 0.0095499300000000, -0.0036524300000000, 0.0004245800000000 ] - [ 0.0102024500000000, -0.0038516600000000, 0.0005353600000000 ] - [ 0.0094979400000000, -0.0035495900000000, 0.0004026400000000 ] - [ 0.0013405400000000, 0.0041158500000000, 0.0010035200000000 ] - [ 0.0052113500000000, 0.0026638200000000, -0.0001364200000000 ] - [ 0.0093269500000000, 0.0038358300000000, 0.0004926100000000 ] - [ 0.0091606400000000, 0.0036221400000000, 0.0004166100000000 ] - [ 0.0098033700000000, 0.0035130200000000, 0.0006552200000000 ] - [ 0.0095051100000000, 0.0036980600000000, 0.0005236100000000 ] - [ 0.0099211000000000, 0.0038226100000000, 0.0005620900000000 ] - [ 0.0096588600000000, 0.0036370100000000, 0.0005426800000000 ] - [ -0.0478750900000000, 0.0132204600000000, 0.0139681000000000 ] - [ 0.0014415600000000, -0.0073345700000000, -0.0006247500000000 ] - [ -0.0005661300000000, -0.0075001100000000, -0.0016494200000000 ] - [ 0.0006017100000000, -0.0080904900000000, -0.0010452300000000 ] - [ -0.0006337600000000, -0.0076681100000000, -0.0005007700000000 ] - [ 0.0004132100000000, -0.0079893000000000, -0.0012808400000000 ] - [ -0.0002262100000000, -0.0081419100000000, -0.0011428300000000 ] - [ 0.0002297300000000, -0.0080746900000000, -0.0012417800000000 ] - [ 0.0001840000000000, 0.0078020000000000, -0.0025129500000000 ] - [ 0.0003042300000000, 0.0080414600000000, -0.0009228000000000 ] - [ -0.0003619800000000, 0.0092572100000000, -0.0011700600000000 ] - [ 0.0002319300000000, 0.0077975200000000, -0.0007953300000000 ] - [ 0.0000372500000000, 0.0078949300000000, -0.0012378400000000 ] - [ 0.0004180300000000, 0.0080627900000000, -0.0012517500000000 ] - [ -0.0005936200000000, 0.0090036500000000, -0.0015062000000000 ] - [ 0.0002999800000000, 0.0076812700000000, -0.0012787000000000 ] - [ -0.0003325000000000, 0.0004392600000000, -0.0045142800000000 ] - [ 0.0001773000000000, 0.0005575700000000, -0.0047855900000000 ] - [ -0.0001657400000000, 0.0002812500000000, -0.0044582500000000 ] - [ 0.0001633100000000, 0.0006070600000000, -0.0047686500000000 ] - [ -0.0002636200000000, 0.0005388400000000, -0.0047939000000000 ] - [ 0.0001428000000000, 0.0005658500000000, -0.0047628300000000 ] - [ -0.0001747400000000, 0.0001644500000000, -0.0049330600000000 ] - [ 0.0001183800000000, 0.0006255000000000, -0.0047701600000000 ] - [ -0.0157801000000000, -0.0077201800000000, -0.0100017200000000 ] - [ 0.0013088700000000, -0.0013601200000000, -0.0052091100000000 ] - [ -0.0002109400000000, -0.0010215300000000, -0.0044894200000000 ] - [ 0.0001472000000000, -0.0005121100000000, -0.0047943300000000 ] - [ -0.0001816500000000, -0.0007210200000000, -0.0051589800000000 ] - [ 0.0000869200000000, -0.0005303200000000, -0.0046923700000000 ] - [ -0.0000418800000000, -0.0006521900000000, -0.0048640500000000 ] - [ 0.0000365800000000, -0.0005351900000000, -0.0047311100000000 ] - [ -0.0034722300000000, -0.0031876400000000, 0.0003511200000000 ] - [ -0.0020028800000000, -0.0020010300000000, -0.0011884900000000 ] - [ -0.0038373500000000, -0.0024327100000000, -0.0011892400000000 ] - [ -0.0019117300000000, -0.0022361600000000, -0.0012187700000000 ] - [ -0.0027423600000000, -0.0018805900000000, -0.0018050600000000 ] - [ -0.0022728200000000, -0.0020901100000000, -0.0011375400000000 ] - [ -0.0030076100000000, -0.0022131700000000, -0.0012303400000000 ] - [ -0.0022103300000000, -0.0021645800000000, -0.0011245800000000 ] - [ -0.0021293400000000, 0.0022281500000000, 0.0006883000000000 ] - [ -0.0017070100000000, 0.0018832300000000, -0.0015012900000000 ] - [ -0.0025857100000000, 0.0019643600000000, -0.0008721300000000 ] - [ -0.0022932200000000, 0.0021991600000000, -0.0013040100000000 ] - [ -0.0018646000000000, 0.0026707700000000, -0.0015767000000000 ] - [ -0.0021837300000000, 0.0020366400000000, -0.0012025100000000 ] - [ -0.0025736100000000, 0.0018638800000000, -0.0012626800000000 ] - [ -0.0023949900000000, 0.0021917800000000, -0.0011636800000000 ] - [ 0.0027724200000000, -0.0003216700000000, -0.0017257900000000 ] - [ 0.0034019000000000, -0.0022939000000000, -0.0007400200000000 ] - [ 0.0033676600000000, -0.0025468400000000, -0.0015905000000000 ] - [ 0.0029532600000000, -0.0022289300000000, -0.0009060000000000 ] - [ 0.0023346000000000, -0.0018597500000000, -0.0010132100000000 ] - [ 0.0026328000000000, -0.0022357700000000, -0.0013783900000000 ] - [ 0.0025249800000000, -0.0022633700000000, -0.0010893200000000 ] - [ 0.0026804600000000, -0.0021075100000000, -0.0013348700000000 ] - [ 0.0010979600000000, 0.0032669100000000, -0.0020668300000000 ] - [ 0.0029584000000000, 0.0021871000000000, -0.0010751000000000 ] - [ 0.0021588900000000, 0.0020409100000000, -0.0010336100000000 ] - [ 0.0027477500000000, 0.0020546400000000, -0.0011488600000000 ] - [ 0.0012884900000000, 0.0026572400000000, -0.0013634600000000 ] - [ 0.0030008900000000, 0.0022585400000000, -0.0012481600000000 ] - [ 0.0022370700000000, 0.0019952000000000, -0.0012231800000000 ] - [ 0.0027380700000000, 0.0020536400000000, -0.0012149800000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0012317100000000, -0.0114316700000000, 0.0018986400000000 ] - [ -0.0002046100000000, -0.0116028700000000, 0.0003623800000000 ] - [ -0.0001165200000000, -0.0111361000000000, 0.0003600000000000 ] - [ -0.0000174300000000, -0.0114504500000000, 0.0003652900000000 ] - [ 0.0012334500000000, -0.0117955700000000, -0.0004586900000000 ] - [ -0.0000987500000000, -0.0116352200000000, 0.0003590000000000 ] - [ -0.0000740200000000, -0.0109010300000000, 0.0005676200000000 ] - [ -0.0000324400000000, -0.0114346700000000, 0.0003472200000000 ] - [ 0.0015320800000000, 0.0164688300000000, -0.0006070200000000 ] - [ -0.0002566100000000, 0.0117059400000000, 0.0003223500000000 ] - [ -0.0058665900000000, 0.0194777800000000, 0.0015168400000000 ] - [ -0.0000854700000000, 0.0114111500000000, 0.0003751700000000 ] - [ 0.0002813400000000, 0.0117030600000000, 0.0003568900000000 ] - [ -0.0001276800000000, 0.0115814400000000, 0.0003621200000000 ] - [ 0.0000606400000000, 0.0116247200000000, 0.0003119600000000 ] - [ -0.0000074100000000, 0.0114605500000000, 0.0003365100000000 ] - [ -0.0014101800000000, 0.0033467500000000, 0.0088044900000000 ] - [ -0.0000936900000000, 0.0039354700000000, 0.0068526000000000 ] - [ 0.0000823400000000, 0.0043302300000000, 0.0067445000000000 ] - [ -0.0000692300000000, 0.0040838600000000, 0.0069185500000000 ] - [ -0.0006968900000000, 0.0040170500000000, 0.0055217300000000 ] - [ 0.0000058100000000, 0.0039197700000000, 0.0070404800000000 ] - [ 0.0000945200000000, 0.0041774200000000, 0.0069806000000000 ] - [ -0.0000815000000000, 0.0040796800000000, 0.0069675200000000 ] - [ -0.0028991500000000, -0.0006731900000000, 0.0075892100000000 ] - [ 0.0000603700000000, -0.0039872800000000, 0.0069516600000000 ] - [ 0.0022541000000000, 0.0003782800000000, 0.0059327900000000 ] - [ -0.0004877900000000, -0.0038818200000000, 0.0069021400000000 ] - [ -0.0003581500000000, -0.0039596500000000, 0.0067679700000000 ] - [ 0.0000147400000000, -0.0040107900000000, 0.0069502400000000 ] - [ 0.0000343300000000, -0.0039568800000000, 0.0070248100000000 ] - [ -0.0000919800000000, -0.0040000600000000, 0.0070062100000000 ] - [ 0.0079688800000000, -0.0799634700000000, 0.0002438100000000 ] - [ -0.0101249300000000, 0.0035096500000000, 0.0004213100000000 ] - [ -0.0098199700000000, 0.0045061600000000, 0.0004441100000000 ] - [ -0.0099729500000000, 0.0038093800000000, 0.0005063700000000 ] - [ -0.0095485800000000, 0.0032635000000000, 0.0004411500000000 ] - [ -0.0098567800000000, 0.0036005800000000, 0.0005106700000000 ] - [ -0.0098161300000000, 0.0038742100000000, 0.0004731200000000 ] - [ -0.0098881500000000, 0.0037304200000000, 0.0004951300000000 ] - [ -0.0097679900000000, -0.0038326200000000, 0.0003696400000000 ] - [ -0.0100774400000000, -0.0038203400000000, 0.0003900400000000 ] - [ -0.0100909100000000, -0.0034311700000000, 0.0008129200000000 ] - [ -0.0097041800000000, -0.0035172000000000, 0.0005196000000000 ] - [ -0.0097665500000000, -0.0038160100000000, 0.0005198500000000 ] - [ -0.0101485100000000, -0.0038344100000000, 0.0007406900000000 ] - [ -0.0099370000000000, -0.0035144000000000, 0.0002914700000000 ] - [ -0.0095935600000000, -0.0034289200000000, 0.0002290100000000 ] - [ 0.0088918000000000, -0.0018198000000000, -0.0020264700000000 ] - [ 0.0097819000000000, -0.0036802000000000, 0.0004520100000000 ] - [ 0.0099772100000000, -0.0034006300000000, 0.0007509400000000 ] - [ 0.0096851900000000, -0.0035743300000000, 0.0004844300000000 ] - [ 0.0096436200000000, -0.0018217900000000, 0.0030889100000000 ] - [ 0.0098086800000000, -0.0036783400000000, 0.0004951000000000 ] - [ 0.0098474100000000, -0.0034048100000000, 0.0002675600000000 ] - [ 0.0096767300000000, -0.0035678300000000, 0.0004325600000000 ] - [ 0.0102336100000000, 0.0024943400000000, 0.0006426600000000 ] - [ 0.0088101200000000, 0.0038434900000000, 0.0009353800000000 ] - [ 0.0099636900000000, 0.0055006800000000, 0.0004091200000000 ] - [ 0.0097595000000000, 0.0043673000000000, 0.0005169900000000 ] - [ 0.0096533300000000, 0.0033685500000000, 0.0004525200000000 ] - [ 0.0098420600000000, 0.0034422700000000, 0.0005181200000000 ] - [ 0.0099426700000000, 0.0038467400000000, 0.0005104900000000 ] - [ 0.0097625600000000, 0.0037776500000000, 0.0004601200000000 ] - [ -0.0208133800000000, 0.0085999600000000, 0.0057101600000000 ] - [ 0.0004635700000000, -0.0076505600000000, -0.0009246900000000 ] - [ 0.0003716400000000, -0.0103174400000000, -0.0003082700000000 ] - [ 0.0000482600000000, -0.0081506000000000, -0.0011458400000000 ] - [ -0.0004827400000000, -0.0078571300000000, -0.0004361600000000 ] - [ 0.0000156200000000, -0.0080000500000000, -0.0011812200000000 ] - [ -0.0000652000000000, -0.0082868200000000, -0.0012603800000000 ] - [ 0.0000755800000000, -0.0080996400000000, -0.0011843500000000 ] - [ 0.0006373100000000, 0.0076893000000000, -0.0023662300000000 ] - [ -0.0000251500000000, 0.0078916200000000, -0.0011962200000000 ] - [ -0.0001702400000000, 0.0080517000000000, -0.0001968800000000 ] - [ 0.0002008600000000, 0.0081050100000000, -0.0009541100000000 ] - [ 0.0012767500000000, 0.0075133600000000, -0.0012565000000000 ] - [ -0.0000065600000000, 0.0078779000000000, -0.0011727400000000 ] - [ -0.0001071000000000, 0.0079883900000000, -0.0010645300000000 ] - [ 0.0002723800000000, 0.0081326100000000, -0.0011880600000000 ] - [ -0.0003946500000000, 0.0004705000000000, -0.0051859500000000 ] - [ 0.0000908800000000, 0.0005358500000000, -0.0047887900000000 ] - [ -0.0000213500000000, 0.0003581300000000, -0.0041078200000000 ] - [ -0.0000211300000000, 0.0006337200000000, -0.0047707600000000 ] - [ -0.0003153700000000, 0.0004344900000000, -0.0046648800000000 ] - [ 0.0000801600000000, 0.0005411100000000, -0.0047413100000000 ] - [ -0.0000446400000000, 0.0004995000000000, -0.0048826000000000 ] - [ 0.0000086500000000, 0.0006354500000000, -0.0047656300000000 ] - [ 0.0097062600000000, 0.0039238200000000, -0.0008976600000000 ] - [ 0.0000113000000000, -0.0003653200000000, -0.0046392400000000 ] - [ 0.0000272300000000, -0.0010822200000000, -0.0046713600000000 ] - [ 0.0000487400000000, -0.0006488500000000, -0.0047418800000000 ] - [ 0.0000414100000000, -0.0004994800000000, -0.0046637700000000 ] - [ 0.0000485200000000, -0.0005803100000000, -0.0047637900000000 ] - [ -0.0000111400000000, -0.0007422200000000, -0.0048269800000000 ] - [ 0.0000013000000000, -0.0006105200000000, -0.0047482500000000 ] - [ -0.0022519300000000, 0.0353861200000000, -0.0128176100000000 ] - [ -0.0023988700000000, -0.0019530300000000, -0.0011358800000000 ] - [ -0.0034911400000000, -0.0035423500000000, -0.0017761100000000 ] - [ -0.0022909800000000, -0.0023302100000000, -0.0012438400000000 ] - [ -0.0027621400000000, -0.0016155100000000, -0.0019137600000000 ] - [ -0.0024606300000000, -0.0020214200000000, -0.0011943100000000 ] - [ -0.0025373700000000, -0.0023618800000000, -0.0010106300000000 ] - [ -0.0024210800000000, -0.0022121800000000, -0.0011419300000000 ] - [ -0.0022412300000000, 0.0025375200000000, -0.0011777500000000 ] - [ -0.0026735800000000, 0.0026282900000000, -0.0016083100000000 ] - [ -0.0026151700000000, 0.0017875500000000, -0.0011037500000000 ] - [ -0.0023314300000000, 0.0017438100000000, -0.0012025000000000 ] - [ -0.0018743300000000, 0.0027025100000000, -0.0012390900000000 ] - [ -0.0026461400000000, 0.0025560000000000, -0.0010802200000000 ] - [ -0.0027188100000000, 0.0017521000000000, -0.0011875100000000 ] - [ -0.0023535300000000, 0.0018797700000000, -0.0011519000000000 ] - [ 0.0015723900000000, -0.0013139600000000, -0.0009542400000000 ] - [ 0.0033193100000000, -0.0018168800000000, -0.0007767200000000 ] - [ 0.0048662300000000, -0.0034421900000000, -0.0021315600000000 ] - [ 0.0017633200000000, -0.0024572200000000, -0.0016076000000000 ] - [ 0.0023821400000000, -0.0017855500000000, -0.0012432100000000 ] - [ 0.0027918800000000, -0.0018708900000000, -0.0013113400000000 ] - [ 0.0025351800000000, -0.0023045500000000, -0.0010377100000000 ] - [ 0.0024266900000000, -0.0022830400000000, -0.0010579600000000 ] - [ 0.0012401400000000, 0.0036849000000000, -0.0011123300000000 ] - [ 0.0026026600000000, 0.0022719100000000, -0.0012052300000000 ] - [ 0.0024127000000000, 0.0015905200000000, -0.0011733600000000 ] - [ 0.0025753900000000, 0.0019947400000000, -0.0011937100000000 ] - [ 0.0019782500000000, 0.0031939600000000, -0.0012267200000000 ] - [ 0.0026300800000000, 0.0022676600000000, -0.0011923000000000 ] - [ 0.0024945100000000, 0.0016648600000000, -0.0011579200000000 ] - [ 0.0025850400000000, 0.0020040100000000, -0.0011774200000000 ]- atom: 33 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0012325300000000, -0.0115987900000000, -0.0012607400000000 ] - [ 0.0002046300000000, -0.0114234300000000, 0.0002779000000000 ] - [ 0.0001148300000000, -0.0118830200000000, 0.0002808100000000 ] - [ 0.0000203000000000, -0.0115781300000000, 0.0002727200000000 ] - [ -0.0012316600000000, -0.0112319400000000, 0.0010767100000000 ] - [ 0.0000963500000000, -0.0113985300000000, 0.0002817200000000 ] - [ 0.0000737600000000, -0.0121244300000000, 0.0000867500000000 ] - [ 0.0000325600000000, -0.0115938900000000, 0.0002930000000000 ] - [ -0.0015052500000000, 0.0066207800000000, 0.0012436300000000 ] - [ 0.0002565500000000, 0.0113181400000000, 0.0003199000000000 ] - [ 0.0059365500000000, 0.0034547900000000, -0.0008714300000000 ] - [ 0.0000894700000000, 0.0116147000000000, 0.0002750100000000 ] - [ -0.0002839900000000, 0.0113422800000000, 0.0002860100000000 ] - [ 0.0001243600000000, 0.0114597800000000, 0.0002765300000000 ] - [ -0.0000652600000000, 0.0114033800000000, 0.0003388600000000 ] - [ 0.0000079300000000, 0.0115514900000000, 0.0003056200000000 ] - [ 0.0014166800000000, 0.0047083000000000, 0.0051054700000000 ] - [ 0.0000902900000000, 0.0041161900000000, 0.0070445500000000 ] - [ -0.0000887600000000, 0.0037203300000000, 0.0071720200000000 ] - [ 0.0000748500000000, 0.0039762900000000, 0.0069878900000000 ] - [ 0.0006952100000000, 0.0040336500000000, 0.0083700500000000 ] - [ -0.0000019200000000, 0.0041293900000000, 0.0068638100000000 ] - [ -0.0000976500000000, 0.0038750200000000, 0.0069509400000000 ] - [ 0.0000777500000000, 0.0039725400000000, 0.0069568700000000 ] - [ 0.0028562300000000, -0.0073277700000000, 0.0063166800000000 ] - [ -0.0000650900000000, -0.0040730600000000, 0.0069628600000000 ] - [ -0.0022697900000000, -0.0084577600000000, 0.0080059400000000 ] - [ 0.0004919500000000, -0.0041643700000000, 0.0070067900000000 ] - [ 0.0003586800000000, -0.0040828400000000, 0.0071422800000000 ] - [ -0.0000103600000000, -0.0040353700000000, 0.0069660700000000 ] - [ -0.0000366400000000, -0.0040945900000000, 0.0069023000000000 ] - [ 0.0000981000000000, -0.0040542200000000, 0.0068995700000000 ] - [ -0.0277250800000000, 0.0854242400000000, 0.0019424100000000 ] - [ -0.0094790300000000, 0.0038144200000000, 0.0005743800000000 ] - [ -0.0097677900000000, 0.0028191300000000, 0.0005511400000000 ] - [ -0.0096228600000000, 0.0035175800000000, 0.0004943400000000 ] - [ -0.0100516400000000, 0.0040579500000000, 0.0005570300000000 ] - [ -0.0097492600000000, 0.0037292400000000, 0.0004936500000000 ] - [ -0.0097715400000000, 0.0034391400000000, 0.0005210500000000 ] - [ -0.0096964200000000, 0.0035862800000000, 0.0004976400000000 ] - [ -0.0098272700000000, -0.0034894400000000, 0.0006292200000000 ] - [ -0.0095281100000000, -0.0035098200000000, 0.0006087300000000 ] - [ -0.0095029300000000, -0.0038954300000000, 0.0001914900000000 ] - [ -0.0098806400000000, -0.0038069000000000, 0.0004726800000000 ] - [ -0.0098290900000000, -0.0035083800000000, 0.0004756400000000 ] - [ -0.0094558200000000, -0.0034904200000000, 0.0002590000000000 ] - [ -0.0096617500000000, -0.0038080100000000, 0.0006981200000000 ] - [ -0.0100050000000000, -0.0038947300000000, 0.0007664200000000 ] - [ 0.0107169900000000, -0.0054825500000000, 0.0030082500000000 ] - [ 0.0098072600000000, -0.0036408900000000, 0.0005415300000000 ] - [ 0.0096073100000000, -0.0039146700000000, 0.0002400400000000 ] - [ 0.0099152500000000, -0.0037525100000000, 0.0005156400000000 ] - [ 0.0099580900000000, -0.0054847600000000, -0.0020773900000000 ] - [ 0.0097904500000000, -0.0036403900000000, 0.0005078300000000 ] - [ 0.0097458400000000, -0.0039150700000000, 0.0007252800000000 ] - [ 0.0099225100000000, -0.0037514800000000, 0.0005656500000000 ] - [ 0.0093382900000000, 0.0048185700000000, 0.0003567600000000 ] - [ 0.0108067700000000, 0.0034757400000000, 0.0000675000000000 ] - [ 0.0096285600000000, 0.0018167900000000, 0.0005915800000000 ] - [ 0.0098388900000000, 0.0029590500000000, 0.0004857700000000 ] - [ 0.0099487300000000, 0.0039496500000000, 0.0005495400000000 ] - [ 0.0097620700000000, 0.0038831600000000, 0.0004859200000000 ] - [ 0.0096375500000000, 0.0034648500000000, 0.0004841600000000 ] - [ 0.0098260400000000, 0.0035372100000000, 0.0005389400000000 ] - [ 0.0212641800000000, -0.0245812700000000, -0.0082566800000000 ] - [ -0.0004519500000000, -0.0083862100000000, -0.0014085900000000 ] - [ -0.0003504000000000, -0.0057068400000000, -0.0020145800000000 ] - [ -0.0000438700000000, -0.0078832000000000, -0.0011942400000000 ] - [ 0.0004929800000000, -0.0081692400000000, -0.0018888100000000 ] - [ -0.0000254200000000, -0.0080381300000000, -0.0011513400000000 ] - [ 0.0000730600000000, -0.0077441700000000, -0.0010772200000000 ] - [ -0.0000734100000000, -0.0079383100000000, -0.0011446700000000 ] - [ -0.0006208400000000, 0.0083495900000000, 0.0000356100000000 ] - [ 0.0000323300000000, 0.0081504100000000, -0.0011438300000000 ] - [ 0.0001705700000000, 0.0079729900000000, -0.0021552800000000 ] - [ -0.0001870700000000, 0.0079394800000000, -0.0013699600000000 ] - [ -0.0012647400000000, 0.0085341100000000, -0.0010686400000000 ] - [ 0.0000089500000000, 0.0081662400000000, -0.0011546100000000 ] - [ 0.0001152600000000, 0.0080494600000000, -0.0012589600000000 ] - [ -0.0002750900000000, 0.0079051800000000, -0.0011428700000000 ] - [ 0.0003867000000000, 0.0006901600000000, -0.0043351100000000 ] - [ -0.0000939500000000, 0.0006264200000000, -0.0047305000000000 ] - [ 0.0000190100000000, 0.0008057200000000, -0.0054124900000000 ] - [ 0.0000149800000000, 0.0005282000000000, -0.0047533500000000 ] - [ 0.0003096800000000, 0.0007318000000000, -0.0048542400000000 ] - [ -0.0000833700000000, 0.0006182400000000, -0.0047735100000000 ] - [ 0.0000397900000000, 0.0006678600000000, -0.0046406800000000 ] - [ -0.0000133900000000, 0.0005344600000000, -0.0047532500000000 ] - [ -0.0099709500000000, -0.0050980600000000, -0.0087325400000000 ] - [ -0.0000091700000000, -0.0008035600000000, -0.0048770300000000 ] - [ -0.0000327100000000, -0.0000958200000000, -0.0048476400000000 ] - [ -0.0000539900000000, -0.0005215600000000, -0.0047807600000000 ] - [ -0.0000428900000000, -0.0006687900000000, -0.0048514000000000 ] - [ -0.0000531400000000, -0.0005881000000000, -0.0047552200000000 ] - [ 0.0000071900000000, -0.0004308500000000, -0.0046977900000000 ] - [ -0.0000063500000000, -0.0005658800000000, -0.0047693200000000 ] - [ -0.0028419900000000, -0.0378843200000000, 0.0097936700000000 ] - [ -0.0026041900000000, -0.0022956300000000, -0.0012151900000000 ] - [ -0.0015102000000000, -0.0007130600000000, -0.0005660300000000 ] - [ -0.0027087200000000, -0.0019305100000000, -0.0011076100000000 ] - [ -0.0022365500000000, -0.0026367700000000, -0.0004356500000000 ] - [ -0.0025429100000000, -0.0022408600000000, -0.0011523500000000 ] - [ -0.0024654700000000, -0.0019001100000000, -0.0013413100000000 ] - [ -0.0025811900000000, -0.0020374600000000, -0.0012061300000000 ] - [ -0.0027591600000000, 0.0017223800000000, -0.0011652400000000 ] - [ -0.0023300000000000, 0.0016265400000000, -0.0007428100000000 ] - [ -0.0023812700000000, 0.0024660600000000, -0.0012471700000000 ] - [ -0.0026673600000000, 0.0025165900000000, -0.0011504600000000 ] - [ -0.0031245900000000, 0.0015584400000000, -0.0011071500000000 ] - [ -0.0023510600000000, 0.0016996700000000, -0.0012684500000000 ] - [ -0.0022818900000000, 0.0025057600000000, -0.0011589500000000 ] - [ -0.0026507700000000, 0.0023746000000000, -0.0011931400000000 ] - [ 0.0034283700000000, -0.0029350900000000, -0.0013997500000000 ] - [ 0.0016882700000000, -0.0024360100000000, -0.0015773000000000 ] - [ 0.0001230200000000, -0.0008200400000000, -0.0002130600000000 ] - [ 0.0032402600000000, -0.0018012100000000, -0.0007401600000000 ] - [ 0.0026216600000000, -0.0024691100000000, -0.0011100800000000 ] - [ 0.0022103900000000, -0.0023869100000000, -0.0010371500000000 ] - [ 0.0024739000000000, -0.0019575900000000, -0.0013138000000000 ] - [ 0.0025703900000000, -0.0019757300000000, -0.0012950100000000 ] - [ 0.0037552400000000, 0.0005982800000000, -0.0014230200000000 ] - [ 0.0024001400000000, 0.0019863100000000, -0.0011419200000000 ] - [ 0.0025887000000000, 0.0026695100000000, -0.0011839100000000 ] - [ 0.0024212200000000, 0.0022628000000000, -0.0011613800000000 ] - [ 0.0030224100000000, 0.0010620500000000, -0.0011146500000000 ] - [ 0.0023641900000000, 0.0019927400000000, -0.0011657300000000 ] - [ 0.0025066900000000, 0.0025950700000000, -0.0011893100000000 ] - [ 0.0024160100000000, 0.0022508700000000, -0.0011674200000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0017289100000000, -0.0098843200000000, 0.0040568900000000 ] - [ -0.0004948900000000, -0.0114913000000000, 0.0004048700000000 ] - [ 0.0002971300000000, -0.0117199200000000, 0.0003779000000000 ] - [ -0.0001031400000000, -0.0115264800000000, 0.0003333800000000 ] - [ -0.0021500000000000, -0.0128210600000000, 0.0032302700000000 ] - [ 0.0000762600000000, -0.0114997300000000, 0.0002529900000000 ] - [ -0.0002345400000000, -0.0111006900000000, 0.0002657800000000 ] - [ 0.0000174600000000, -0.0114626200000000, 0.0002768800000000 ] - [ 0.0003052300000000, 0.0109662900000000, 0.0000817900000000 ] - [ -0.0000880000000000, 0.0115224300000000, 0.0002223900000000 ] - [ 0.0002820300000000, 0.0109602800000000, -0.0006167000000000 ] - [ -0.0000835900000000, 0.0114493200000000, 0.0002251000000000 ] - [ 0.0001390400000000, 0.0114922200000000, 0.0007138900000000 ] - [ -0.0000123400000000, 0.0115054900000000, 0.0003509200000000 ] - [ 0.0000199600000000, 0.0113644200000000, 0.0012258300000000 ] - [ -0.0000320600000000, 0.0114569800000000, 0.0003610800000000 ] - [ -0.0051955300000000, 0.0058335400000000, 0.0140279900000000 ] - [ -0.0000048800000000, 0.0040220700000000, 0.0068197100000000 ] - [ -0.0000742000000000, 0.0039975800000000, 0.0068755400000000 ] - [ 0.0000144900000000, 0.0040615300000000, 0.0068744900000000 ] - [ 0.0011822800000000, 0.0034821400000000, 0.0118498200000000 ] - [ -0.0002449800000000, 0.0040619000000000, 0.0070724000000000 ] - [ 0.0001357100000000, 0.0040741700000000, 0.0070055600000000 ] - [ -0.0001053200000000, 0.0040333600000000, 0.0070161300000000 ] - [ -0.0008255400000000, -0.0034595300000000, 0.0066084700000000 ] - [ -0.0000821400000000, -0.0040626600000000, 0.0068347700000000 ] - [ 0.0002709400000000, -0.0044502200000000, 0.0065922400000000 ] - [ -0.0000411400000000, -0.0040518500000000, 0.0068593300000000 ] - [ 0.0002930900000000, -0.0040333800000000, 0.0079860200000000 ] - [ -0.0000202500000000, -0.0040365700000000, 0.0070611300000000 ] - [ -0.0000076900000000, -0.0038344900000000, 0.0077179000000000 ] - [ -0.0000384200000000, -0.0040166500000000, 0.0070520200000000 ] - [ 0.0045332500000000, 0.0028550300000000, -0.0824048600000000 ] - [ -0.0100171800000000, 0.0036178800000000, 0.0003899500000000 ] - [ -0.0096336900000000, 0.0036442800000000, 0.0004043000000000 ] - [ -0.0098474000000000, 0.0037007700000000, 0.0004666400000000 ] - [ -0.0098415100000000, 0.0036353900000000, 0.0012542000000000 ] - [ -0.0098920800000000, 0.0037005600000000, 0.0006294300000000 ] - [ -0.0098106900000000, 0.0036724800000000, 0.0006557700000000 ] - [ -0.0098384500000000, 0.0036944700000000, 0.0005813500000000 ] - [ -0.0100769700000000, -0.0039314200000000, 0.0006556800000000 ] - [ -0.0094921000000000, -0.0037171800000000, 0.0004794300000000 ] - [ -0.0098815700000000, -0.0034290100000000, 0.0005823700000000 ] - [ -0.0096619000000000, -0.0034962500000000, 0.0004777800000000 ] - [ -0.0096565700000000, -0.0035869200000000, 0.0004794000000000 ] - [ -0.0100793000000000, -0.0035626300000000, 0.0006550400000000 ] - [ -0.0098077500000000, -0.0037186200000000, 0.0004752100000000 ] - [ -0.0099870100000000, -0.0040000800000000, 0.0005791000000000 ] - [ 0.0115393100000000, -0.0062651500000000, 0.0044263200000000 ] - [ 0.0096960700000000, -0.0036829100000000, 0.0005078000000000 ] - [ 0.0098132500000000, -0.0034680100000000, 0.0006111700000000 ] - [ 0.0096815600000000, -0.0036272800000000, 0.0005087900000000 ] - [ 0.0089361300000000, -0.0011549500000000, 0.0044626500000000 ] - [ 0.0097722700000000, -0.0036515600000000, 0.0005100100000000 ] - [ 0.0099715100000000, -0.0039506100000000, 0.0006094900000000 ] - [ 0.0097510900000000, -0.0036753800000000, 0.0005062300000000 ] - [ 0.0102756000000000, 0.0038369200000000, -0.0006329900000000 ] - [ 0.0091328100000000, 0.0041237700000000, 0.0003106800000000 ] - [ 0.0097692100000000, 0.0036022100000000, 0.0004515200000000 ] - [ 0.0096966500000000, 0.0037098800000000, 0.0003245400000000 ] - [ 0.0099240400000000, 0.0036410300000000, 0.0017260600000000 ] - [ 0.0098016200000000, 0.0037076000000000, 0.0009840600000000 ] - [ 0.0098407200000000, 0.0037088400000000, 0.0006090900000000 ] - [ 0.0098127500000000, 0.0036517600000000, 0.0006310300000000 ] - [ -0.0151304300000000, -0.0009856600000000, 0.0109086300000000 ] - [ 0.0003402400000000, -0.0078204700000000, -0.0008933600000000 ] - [ -0.0000584700000000, -0.0078511500000000, -0.0011208700000000 ] - [ 0.0000979000000000, -0.0080634000000000, -0.0010200700000000 ] - [ 0.0004663000000000, -0.0082682700000000, -0.0036791600000000 ] - [ 0.0000691800000000, -0.0080487100000000, -0.0013694400000000 ] - [ -0.0000423400000000, -0.0080506700000000, -0.0013177300000000 ] - [ 0.0000192100000000, -0.0080389600000000, -0.0012981600000000 ] - [ 0.0011941200000000, 0.0074176300000000, -0.0004396900000000 ] - [ -0.0000670600000000, 0.0079630800000000, -0.0009746100000000 ] - [ 0.0000158600000000, 0.0094136800000000, -0.0006382500000000 ] - [ -0.0000062600000000, 0.0080643300000000, -0.0010165200000000 ] - [ -0.0020422800000000, 0.0087237500000000, -0.0016260200000000 ] - [ 0.0002866600000000, 0.0081310300000000, -0.0014189200000000 ] - [ 0.0001044300000000, 0.0067981900000000, -0.0015085200000000 ] - [ 0.0001934500000000, 0.0078733900000000, -0.0014003200000000 ] - [ -0.0004053200000000, 0.0002770000000000, -0.0046176700000000 ] - [ 0.0000817600000000, 0.0005243000000000, -0.0047346600000000 ] - [ -0.0000189800000000, 0.0009736300000000, -0.0045553500000000 ] - [ 0.0000785200000000, 0.0005764500000000, -0.0047191500000000 ] - [ 0.0004066800000000, 0.0008601800000000, -0.0049851300000000 ] - [ -0.0000252500000000, 0.0006151300000000, -0.0048081500000000 ] - [ -0.0001322000000000, -0.0003247200000000, -0.0052206700000000 ] - [ -0.0000102000000000, 0.0005943100000000, -0.0048072400000000 ] - [ 0.0065940600000000, 0.0031435500000000, -0.0035881900000000 ] - [ -0.0000195100000000, -0.0004166600000000, -0.0046470600000000 ] - [ -0.0000726300000000, -0.0007111400000000, -0.0046284400000000 ] - [ 0.0000156000000000, -0.0005616600000000, -0.0047151200000000 ] - [ -0.0001817100000000, -0.0007431200000000, -0.0052975600000000 ] - [ 0.0000187300000000, -0.0005728600000000, -0.0048247600000000 ] - [ 0.0000011200000000, -0.0005607000000000, -0.0048829600000000 ] - [ 0.0000047200000000, -0.0005688200000000, -0.0047887500000000 ] - [ -0.0039497700000000, -0.0136471300000000, 0.0033840400000000 ] - [ -0.0024060600000000, -0.0021236900000000, -0.0010719600000000 ] - [ -0.0027084100000000, -0.0021477900000000, -0.0008232200000000 ] - [ -0.0024055900000000, -0.0021226000000000, -0.0010700400000000 ] - [ -0.0026433600000000, -0.0018193400000000, -0.0027656400000000 ] - [ -0.0024587800000000, -0.0021439100000000, -0.0012430800000000 ] - [ -0.0025321700000000, -0.0021137100000000, -0.0013937900000000 ] - [ -0.0024318500000000, -0.0021380500000000, -0.0012376800000000 ] - [ -0.0033835700000000, 0.0018484600000000, -0.0006043700000000 ] - [ -0.0017483700000000, 0.0017300200000000, -0.0009552600000000 ] - [ -0.0025335900000000, 0.0021314500000000, -0.0010376300000000 ] - [ -0.0023101500000000, 0.0021991000000000, -0.0010260700000000 ] - [ -0.0007365200000000, 0.0033834800000000, -0.0019530400000000 ] - [ -0.0031033800000000, 0.0025568000000000, -0.0013940100000000 ] - [ -0.0024806100000000, 0.0020046300000000, -0.0013358400000000 ] - [ -0.0026337300000000, 0.0021289800000000, -0.0013260200000000 ] - [ 0.0026766400000000, -0.0020375200000000, -0.0009132700000000 ] - [ 0.0025941000000000, -0.0022368400000000, -0.0008241100000000 ] - [ 0.0023471800000000, -0.0021387900000000, -0.0009926900000000 ] - [ 0.0026540800000000, -0.0021148200000000, -0.0009364700000000 ] - [ 0.0024545800000000, -0.0020577300000000, -0.0012983500000000 ] - [ 0.0024460400000000, -0.0022542800000000, -0.0014203700000000 ] - [ 0.0025104100000000, -0.0021292600000000, -0.0012739500000000 ] - [ 0.0024671300000000, -0.0020873900000000, -0.0014137100000000 ] - [ 0.0023305600000000, 0.0016653200000000, 0.0407417100000000 ] - [ 0.0025754600000000, 0.0020718700000000, -0.0010513300000000 ] - [ 0.0023544900000000, 0.0021611500000000, -0.0010056100000000 ] - [ 0.0025337200000000, 0.0021210500000000, -0.0011078900000000 ] - [ 0.0016417500000000, 0.0020835600000000, -0.0029978600000000 ] - [ 0.0026707600000000, 0.0022527000000000, -0.0013295200000000 ] - [ 0.0025224500000000, 0.0020755800000000, -0.0013543600000000 ] - [ 0.0025631100000000, 0.0021188900000000, -0.0012587900000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0017383000000000, -0.0131098500000000, -0.0034860000000000 ] - [ 0.0004985000000000, -0.0114912600000000, 0.0001849100000000 ] - [ -0.0002980700000000, -0.0112631300000000, 0.0002092000000000 ] - [ 0.0001038800000000, -0.0114663800000000, 0.0002492300000000 ] - [ 0.0021169400000000, -0.0101833000000000, -0.0025978100000000 ] - [ -0.0000768100000000, -0.0114937700000000, 0.0003286800000000 ] - [ 0.0002353900000000, -0.0118956200000000, 0.0003161100000000 ] - [ -0.0000175400000000, -0.0115173400000000, 0.0003119100000000 ] - [ -0.0003099100000000, 0.0120000700000000, 0.0005133900000000 ] - [ 0.0000865300000000, 0.0114596800000000, 0.0003679900000000 ] - [ -0.0002949400000000, 0.0120350300000000, 0.0012084300000000 ] - [ 0.0000846500000000, 0.0115441900000000, 0.0003592900000000 ] - [ -0.0001376400000000, 0.0114909100000000, -0.0001238000000000 ] - [ 0.0000117400000000, 0.0114888000000000, 0.0002314900000000 ] - [ -0.0000211300000000, 0.0116257800000000, -0.0006417500000000 ] - [ 0.0000319800000000, 0.0115253100000000, 0.0002276700000000 ] - [ 0.0052601200000000, 0.0022248400000000, -0.0002253900000000 ] - [ 0.0000049200000000, 0.0040685000000000, 0.0070871500000000 ] - [ 0.0000750500000000, 0.0040925400000000, 0.0070171500000000 ] - [ -0.0000145100000000, 0.0040297400000000, 0.0070177800000000 ] - [ -0.0011587000000000, 0.0045957000000000, 0.0021109600000000 ] - [ 0.0002437000000000, 0.0040271100000000, 0.0068200100000000 ] - [ -0.0001357000000000, 0.0040151500000000, 0.0068864000000000 ] - [ 0.0001054100000000, 0.0040569100000000, 0.0068873400000000 ] - [ 0.0008339500000000, -0.0046332300000000, 0.0072897700000000 ] - [ 0.0000817000000000, -0.0040274000000000, 0.0070569600000000 ] - [ -0.0002652400000000, -0.0036270200000000, 0.0073030100000000 ] - [ 0.0000403700000000, -0.0040378500000000, 0.0070452200000000 ] - [ -0.0002959400000000, -0.0040553500000000, 0.0059075500000000 ] - [ 0.0000214700000000, -0.0040539300000000, 0.0068425100000000 ] - [ 0.0000079600000000, -0.0042574200000000, 0.0061801600000000 ] - [ 0.0000384400000000, -0.0040732900000000, 0.0068398300000000 ] - [ -0.0240877400000000, 0.0045262300000000, 0.0809613900000000 ] - [ -0.0095650000000000, 0.0037390600000000, 0.0006410400000000 ] - [ -0.0099538900000000, 0.0037169500000000, 0.0006306400000000 ] - [ -0.0097410700000000, 0.0036598400000000, 0.0005671900000000 ] - [ -0.0097370400000000, 0.0037222600000000, -0.0002233300000000 ] - [ -0.0096961000000000, 0.0036590900000000, 0.0004033100000000 ] - [ -0.0097768000000000, 0.0036864400000000, 0.0003773000000000 ] - [ -0.0097405100000000, 0.0036624900000000, 0.0004498700000000 ] - [ -0.0095020600000000, -0.0034241500000000, 0.0003753400000000 ] - [ -0.0100959700000000, -0.0036428200000000, 0.0005529500000000 ] - [ -0.0097066100000000, -0.0039327000000000, 0.0004515100000000 ] - [ -0.0099227100000000, -0.0038636400000000, 0.0005539500000000 ] - [ -0.0099338500000000, -0.0037745200000000, 0.0005522800000000 ] - [ -0.0095005600000000, -0.0037947900000000, 0.0003741000000000 ] - [ -0.0097731600000000, -0.0036386600000000, 0.0005530700000000 ] - [ -0.0095985400000000, -0.0033580100000000, 0.0004499100000000 ] - [ 0.0080389700000000, -0.0010701000000000, -0.0034252500000000 ] - [ 0.0098837500000000, -0.0036732700000000, 0.0005221300000000 ] - [ 0.0097714300000000, -0.0038892400000000, 0.0004196300000000 ] - [ 0.0099091100000000, -0.0037324900000000, 0.0005236400000000 ] - [ 0.0106409800000000, -0.0061619000000000, -0.0033887600000000 ] - [ 0.0098178800000000, -0.0037070000000000, 0.0005217500000000 ] - [ 0.0096146800000000, -0.0034067100000000, 0.0004189400000000 ] - [ 0.0098282700000000, -0.0036795600000000, 0.0005222400000000 ] - [ 0.0093018800000000, 0.0035219000000000, 0.0016644100000000 ] - [ 0.0104486600000000, 0.0032317400000000, 0.0007230200000000 ] - [ 0.0098161500000000, 0.0037552300000000, 0.0005826500000000 ] - [ 0.0098942700000000, 0.0036503700000000, 0.0007088800000000 ] - [ 0.0096556200000000, 0.0037165000000000, -0.0006982700000000 ] - [ 0.0097865100000000, 0.0036515100000000, 0.0000490700000000 ] - [ 0.0097469500000000, 0.0036487700000000, 0.0004232000000000 ] - [ 0.0097661700000000, 0.0037033900000000, 0.0003995700000000 ] - [ 0.0152774600000000, -0.0151470400000000, -0.0130713900000000 ] - [ -0.0003346400000000, -0.0082325700000000, -0.0014518200000000 ] - [ 0.0000617300000000, -0.0081935500000000, -0.0012290200000000 ] - [ -0.0000934700000000, -0.0079872300000000, -0.0013260700000000 ] - [ -0.0004550700000000, -0.0077876300000000, 0.0013326300000000 ] - [ -0.0000634100000000, -0.0080048400000000, -0.0009758800000000 ] - [ 0.0000444400000000, -0.0080038700000000, -0.0010257500000000 ] - [ -0.0000154200000000, -0.0080148100000000, -0.0010444200000000 ] - [ -0.0011906200000000, 0.0086360900000000, -0.0019026200000000 ] - [ 0.0000692100000000, 0.0080979500000000, -0.0013689200000000 ] - [ -0.0000100500000000, 0.0066459100000000, -0.0017052100000000 ] - [ 0.0000102200000000, 0.0079939500000000, -0.0013262000000000 ] - [ 0.0020543300000000, 0.0073327600000000, -0.0007239100000000 ] - [ -0.0002853900000000, 0.0079258300000000, -0.0009249500000000 ] - [ -0.0001021200000000, 0.0092637300000000, -0.0008394900000000 ] - [ -0.0001895400000000, 0.0081874400000000, -0.0009397400000000 ] - [ 0.0003999400000000, 0.0008670100000000, -0.0048999500000000 ] - [ -0.0000854300000000, 0.0006224100000000, -0.0047850700000000 ] - [ 0.0000146500000000, 0.0001738300000000, -0.0049626800000000 ] - [ -0.0000827200000000, 0.0005679300000000, -0.0047993400000000 ] - [ -0.0004133600000000, 0.0002850700000000, -0.0045321700000000 ] - [ 0.0000198600000000, 0.0005292200000000, -0.0047091800000000 ] - [ 0.0001297200000000, 0.0014790000000000, -0.0042979300000000 ] - [ 0.0000065400000000, 0.0005531700000000, -0.0047104200000000 ] - [ -0.0066613400000000, -0.0043342700000000, -0.0058414400000000 ] - [ 0.0000173000000000, -0.0007313600000000, -0.0048707000000000 ] - [ 0.0000678800000000, -0.0004423500000000, -0.0048892400000000 ] - [ -0.0000195800000000, -0.0005883200000000, -0.0048037700000000 ] - [ 0.0001754700000000, -0.0004094600000000, -0.0042227100000000 ] - [ -0.0000230000000000, -0.0005766100000000, -0.0046931400000000 ] - [ -0.0000057200000000, -0.0005904200000000, -0.0046364600000000 ] - [ -0.0000083600000000, -0.0005827300000000, -0.0047294300000000 ] - [ -0.0010429500000000, 0.0094716000000000, -0.0055999200000000 ] - [ -0.0025817600000000, -0.0021403000000000, -0.0012716400000000 ] - [ -0.0022814500000000, -0.0021173700000000, -0.0015210100000000 ] - [ -0.0025829700000000, -0.0021402900000000, -0.0012715200000000 ] - [ -0.0023463700000000, -0.0024415100000000, 0.0004231500000000 ] - [ -0.0025301000000000, -0.0021188900000000, -0.0010969200000000 ] - [ -0.0024552900000000, -0.0021474400000000, -0.0009466100000000 ] - [ -0.0025563400000000, -0.0021266000000000, -0.0011040100000000 ] - [ -0.0016073300000000, 0.0024149000000000, -0.0017322500000000 ] - [ -0.0032380400000000, 0.0025360600000000, -0.0013872600000000 ] - [ -0.0024535000000000, 0.0021338100000000, -0.0013021800000000 ] - [ -0.0026771300000000, 0.0020632700000000, -0.0013144400000000 ] - [ -0.0042610100000000, 0.0008738000000000, -0.0003905700000000 ] - [ -0.0018837000000000, 0.0017048300000000, -0.0009475700000000 ] - [ -0.0025074400000000, 0.0022577600000000, -0.0010043600000000 ] - [ -0.0023546400000000, 0.0021354100000000, -0.0010163900000000 ] - [ 0.0023133200000000, -0.0022242100000000, -0.0014366400000000 ] - [ 0.0023959000000000, -0.0020275300000000, -0.0015216500000000 ] - [ 0.0026459900000000, -0.0021251900000000, -0.0013559300000000 ] - [ 0.0023318400000000, -0.0021494700000000, -0.0014108900000000 ] - [ 0.0025348900000000, -0.0022085600000000, -0.0010455100000000 ] - [ 0.0025433100000000, -0.0020090900000000, -0.0009260900000000 ] - [ 0.0024757800000000, -0.0021325700000000, -0.0010718600000000 ] - [ 0.0025223500000000, -0.0021771700000000, -0.0009306100000000 ] - [ 0.0025213700000000, 0.0026029200000000, -0.0409673900000000 ] - [ 0.0024130600000000, 0.0021911000000000, -0.0012938600000000 ] - [ 0.0026313100000000, 0.0021022800000000, -0.0013393300000000 ] - [ 0.0024554800000000, 0.0021432200000000, -0.0012363700000000 ] - [ 0.0033492000000000, 0.0021798700000000, 0.0006555300000000 ] - [ 0.0023184200000000, 0.0020119900000000, -0.0010148600000000 ] - [ 0.0024662700000000, 0.0021886500000000, -0.0009897900000000 ] - [ 0.0024240700000000, 0.0021442100000000, -0.0010875700000000 ]- atom: 65 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000342800000000, -0.0119637500000000, -0.0002780400000000 ] - [ -0.0000370200000000, -0.0110409000000000, 0.0008689800000000 ] - [ -0.0000381400000000, -0.0112587800000000, 0.0002801000000000 ] - [ -0.0000372400000000, -0.0117527400000000, 0.0003021200000000 ] - [ -0.0008490200000000, -0.0123357400000000, 0.0013983200000000 ] - [ -0.0008470800000000, -0.0106817000000000, -0.0008157700000000 ] - [ -0.0000927400000000, -0.0109601400000000, 0.0004422100000000 ] - [ -0.0000936900000000, -0.0120462600000000, 0.0001417000000000 ] - [ 0.0015220300000000, 0.0114996600000000, 0.0002924200000000 ] - [ -0.0007712600000000, 0.0115095600000000, 0.0002893000000000 ] - [ 0.0071834300000000, 0.0116956500000000, 0.0002323100000000 ] - [ -0.0005043700000000, 0.0115049100000000, 0.0002917900000000 ] - [ 0.0006349600000000, 0.0115078300000000, 0.0002905800000000 ] - [ -0.0003451100000000, 0.0115042000000000, 0.0002907200000000 ] - [ 0.0001101200000000, 0.0115047200000000, 0.0002883900000000 ] - [ -0.0002735300000000, 0.0115092100000000, 0.0002905400000000 ] - [ 0.0077734800000000, 0.0040318200000000, 0.0071626500000000 ] - [ -0.0004636200000000, 0.0040429800000000, 0.0069623200000000 ] - [ 0.0002465800000000, 0.0040427700000000, 0.0069645500000000 ] - [ -0.0002965600000000, 0.0040434400000000, 0.0069663100000000 ] - [ 0.0012988700000000, 0.0040438800000000, 0.0069569500000000 ] - [ -0.0006475500000000, 0.0040423400000000, 0.0069650100000000 ] - [ 0.0003587500000000, 0.0040425700000000, 0.0069647200000000 ] - [ -0.0003490700000000, 0.0040426900000000, 0.0069607700000000 ] - [ -0.0014448100000000, -0.0023129500000000, 0.0073803900000000 ] - [ -0.0014398800000000, -0.0057656800000000, 0.0065414000000000 ] - [ -0.0000910700000000, -0.0047978300000000, 0.0070576600000000 ] - [ -0.0000945700000000, -0.0032814300000000, 0.0068670600000000 ] - [ -0.0002293200000000, -0.0039930500000000, 0.0069187400000000 ] - [ -0.0002286800000000, -0.0040931100000000, 0.0070052400000000 ] - [ 0.0000642400000000, -0.0042810000000000, 0.0068240300000000 ] - [ 0.0000665000000000, -0.0038043300000000, 0.0070955000000000 ] - [ 0.0380628000000000, -0.0167675600000000, -0.0142615400000000 ] - [ -0.0112238300000000, 0.0041259800000000, 0.0008511200000000 ] - [ -0.0092139900000000, 0.0040274800000000, 0.0004520600000000 ] - [ -0.0103808400000000, 0.0037177300000000, 0.0006065100000000 ] - [ -0.0091464100000000, 0.0031832900000000, 0.0009704000000000 ] - [ -0.0101931300000000, 0.0036986200000000, 0.0005770200000000 ] - [ -0.0095514600000000, 0.0036001800000000, 0.0004687000000000 ] - [ -0.0100108200000000, 0.0037489100000000, 0.0005305900000000 ] - [ -0.0099677100000000, -0.0042983300000000, 0.0017074000000000 ] - [ -0.0100840500000000, -0.0036435800000000, 0.0004435100000000 ] - [ -0.0094133900000000, -0.0035041700000000, 0.0005230300000000 ] - [ -0.0100210200000000, -0.0038646300000000, 0.0005066000000000 ] - [ -0.0098183500000000, -0.0049391000000000, -0.0015385300000000 ] - [ -0.0102055600000000, -0.0036682900000000, 0.0007995800000000 ] - [ -0.0091844600000000, -0.0035591900000000, 0.0006144400000000 ] - [ -0.0100789800000000, -0.0039490400000000, 0.0007025300000000 ] - [ 0.0095994800000000, -0.0030471800000000, -0.0006793700000000 ] - [ 0.0094801000000000, -0.0037044100000000, 0.0005801800000000 ] - [ 0.0101541000000000, -0.0038439100000000, 0.0005008900000000 ] - [ 0.0095493000000000, -0.0034818900000000, 0.0005193300000000 ] - [ 0.0097551900000000, -0.0024085300000000, 0.0025598500000000 ] - [ 0.0093646700000000, -0.0036798900000000, 0.0002263300000000 ] - [ 0.0103773500000000, -0.0037848400000000, 0.0004089900000000 ] - [ 0.0094853700000000, -0.0033965600000000, 0.0003188900000000 ] - [ 0.0594561800000000, 0.0253128300000000, 0.0161599800000000 ] - [ 0.0083348400000000, 0.0032190300000000, 0.0001747400000000 ] - [ 0.0103506300000000, 0.0033116600000000, 0.0005720400000000 ] - [ 0.0091796200000000, 0.0036250100000000, 0.0004166000000000 ] - [ 0.0104209000000000, 0.0041633100000000, 0.0000478700000000 ] - [ 0.0093687800000000, 0.0036450200000000, 0.0004469300000000 ] - [ 0.0100087600000000, 0.0037424600000000, 0.0005549200000000 ] - [ 0.0095554200000000, 0.0035974500000000, 0.0004940300000000 ] - [ -0.1128160900000000, -0.0094319400000000, -0.0021885300000000 ] - [ 0.0017582900000000, -0.0080185000000000, -0.0011772400000000 ] - [ 0.0005315000000000, -0.0080183800000000, -0.0011784500000000 ] - [ 0.0006843800000000, -0.0080233500000000, -0.0011761400000000 ] - [ 0.0003412700000000, -0.0080208200000000, -0.0011729500000000 ] - [ 0.0005710400000000, -0.0080217500000000, -0.0011756900000000 ] - [ -0.0003401600000000, -0.0080214900000000, -0.0011751000000000 ] - [ 0.0003214000000000, -0.0080198100000000, -0.0011752900000000 ] - [ 0.0007300000000000, 0.0075858200000000, -0.0020819000000000 ] - [ 0.0007318400000000, 0.0084633600000000, -0.0002735700000000 ] - [ -0.0001267800000000, 0.0090542800000000, -0.0016224800000000 ] - [ -0.0001297100000000, 0.0069974000000000, -0.0007208400000000 ] - [ 0.0007290400000000, 0.0076814800000000, -0.0012302900000000 ] - [ 0.0007324500000000, 0.0083676400000000, -0.0011177700000000 ] - [ -0.0001273300000000, 0.0089049900000000, -0.0011074400000000 ] - [ -0.0001290900000000, 0.0071375600000000, -0.0012451000000000 ] - [ -0.0007530500000000, 0.0005764900000000, -0.0047577300000000 ] - [ 0.0002917500000000, 0.0005772500000000, -0.0047591900000000 ] - [ -0.0002396000000000, 0.0005764500000000, -0.0047643600000000 ] - [ 0.0002074400000000, 0.0005762300000000, -0.0047587000000000 ] - [ -0.0005668600000000, 0.0005774900000000, -0.0047577400000000 ] - [ 0.0002373000000000, 0.0005759600000000, -0.0047580500000000 ] - [ 0.0000678500000000, 0.0005838900000000, -0.0047560300000000 ] - [ 0.0001491800000000, 0.0005770100000000, -0.0047582700000000 ] - [ 0.0031998500000000, 0.0009884000000000, -0.0038648400000000 ] - [ 0.0032147100000000, -0.0021428700000000, -0.0056504900000000 ] - [ -0.0001164700000000, -0.0010481100000000, -0.0046220900000000 ] - [ -0.0001167100000000, -0.0001118200000000, -0.0048938500000000 ] - [ -0.0001296200000000, -0.0007390200000000, -0.0051124400000000 ] - [ -0.0001302700000000, -0.0004192000000000, -0.0044049600000000 ] - [ -0.0000040200000000, -0.0006957300000000, -0.0048422100000000 ] - [ -0.0000040700000000, -0.0004619900000000, -0.0046760300000000 ] - [ -0.0030074700000000, -0.0102590200000000, 0.0018765400000000 ] - [ -0.0014998900000000, -0.0019231100000000, -0.0014774700000000 ] - [ -0.0039746700000000, -0.0008252700000000, -0.0022747600000000 ] - [ -0.0018364200000000, -0.0021928500000000, -0.0013449800000000 ] - [ -0.0029153200000000, -0.0018040700000000, -0.0020970700000000 ] - [ -0.0021645900000000, -0.0020788400000000, -0.0009769500000000 ] - [ -0.0027247800000000, -0.0021255000000000, -0.0011934800000000 ] - [ -0.0022271300000000, -0.0021425000000000, -0.0010139900000000 ] - [ -0.0030705800000000, 0.0013576200000000, 0.0075103900000000 ] - [ -0.0016195900000000, 0.0020318500000000, -0.0014878800000000 ] - [ -0.0028449400000000, 0.0021753700000000, -0.0013375600000000 ] - [ -0.0021406000000000, 0.0022039800000000, -0.0012266900000000 ] - [ -0.0044432700000000, 0.0009723400000000, -0.0028542600000000 ] - [ -0.0018709600000000, 0.0020293700000000, -0.0010931600000000 ] - [ -0.0027333700000000, 0.0020575500000000, -0.0011700800000000 ] - [ -0.0022450700000000, 0.0022089100000000, -0.0011375900000000 ] - [ 0.0019959300000000, 0.0060115700000000, -0.0042269100000000 ] - [ 0.0034908100000000, -0.0023409000000000, -0.0008649800000000 ] - [ 0.0010032800000000, -0.0034525000000000, -0.0000711000000000 ] - [ 0.0031490200000000, -0.0020731800000000, -0.0010003900000000 ] - [ 0.0020720900000000, -0.0024620900000000, -0.0002450500000000 ] - [ 0.0028229900000000, -0.0021852400000000, -0.0013672800000000 ] - [ 0.0022614500000000, -0.0021371200000000, -0.0011503300000000 ] - [ 0.0027625300000000, -0.0021220100000000, -0.0013283900000000 ] - [ 0.0019009900000000, 0.0029097300000000, -0.0098366700000000 ] - [ 0.0033664800000000, 0.0022336700000000, -0.0008565400000000 ] - [ 0.0021421500000000, 0.0020908700000000, -0.0010060100000000 ] - [ 0.0028471500000000, 0.0020596900000000, -0.0011158100000000 ] - [ 0.0005564400000000, 0.0032963300000000, 0.0004971500000000 ] - [ 0.0031198000000000, 0.0022389200000000, -0.0012501100000000 ] - [ 0.0022555800000000, 0.0022075000000000, -0.0011719100000000 ] - [ 0.0027426900000000, 0.0020553000000000, -0.0012054800000000 ]- atom: 65 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000871900000000, -0.0107253100000000, 0.0004690600000000 ] - [ -0.0000871900000000, -0.0107253100000000, 0.0004690600000000 ] - [ -0.0001116900000000, -0.0118947100000000, 0.0002344800000000 ] - [ 0.0001116900000000, -0.0118947100000000, 0.0002344800000000 ] - [ 0.0005820100000000, -0.0103386800000000, -0.0005354700000000 ] - [ -0.0005820100000000, -0.0103386800000000, -0.0005354700000000 ] - [ -0.0001625000000000, -0.0120619600000000, 0.0003291300000000 ] - [ 0.0001625000000000, -0.0120619600000000, 0.0003291300000000 ] - [ 0.0000000000000000, 0.0092199700000000, 0.0004736500000000 ] - [ 0.0000000000000000, 0.0111932900000000, 0.0003214800000000 ] - [ 0.0000000000000000, 0.0670492300000000, -0.0207823200000000 ] - [ 0.0000000000000000, 0.0120020000000000, 0.0002510500000000 ] - [ 0.0000000000000000, 0.0111228100000000, 0.0002818400000000 ] - [ 0.0000000000000000, 0.0113566600000000, 0.0002923000000000 ] - [ 0.0000000000000000, 0.0123375600000000, 0.0010240700000000 ] - [ 0.0000000000000000, 0.0116917900000000, 0.0002934000000000 ] - [ 0.0000000000000000, 0.0088784500000000, 0.0078446700000000 ] - [ 0.0000000000000000, 0.0041804100000000, 0.0071270700000000 ] - [ 0.0000000000000000, 0.0035609300000000, 0.0068399200000000 ] - [ 0.0000000000000000, 0.0039594200000000, 0.0069741600000000 ] - [ 0.0000000000000000, 0.0043394500000000, 0.0062493800000000 ] - [ 0.0000000000000000, 0.0041525100000000, 0.0067854900000000 ] - [ 0.0000000000000000, 0.0036908600000000, 0.0071418800000000 ] - [ 0.0000000000000000, 0.0039648400000000, 0.0069614800000000 ] - [ 0.0000085000000000, -0.0046158600000000, 0.0068785100000000 ] - [ -0.0000085000000000, -0.0046158600000000, 0.0068785100000000 ] - [ -0.0015146200000000, -0.0033638600000000, 0.0072834600000000 ] - [ 0.0015146200000000, -0.0033638600000000, 0.0072834600000000 ] - [ 0.0001097200000000, -0.0041685900000000, 0.0069907200000000 ] - [ -0.0001097200000000, -0.0041685900000000, 0.0069907200000000 ] - [ -0.0003480900000000, -0.0037161200000000, 0.0069083600000000 ] - [ 0.0003480900000000, -0.0037161200000000, 0.0069083600000000 ] - [ -0.0318370700000000, 0.0202533600000000, 0.0076847300000000 ] - [ -0.0104764900000000, 0.0040435800000000, 0.0007291600000000 ] - [ -0.0103148800000000, 0.0013555800000000, 0.0006921700000000 ] - [ -0.0097234500000000, 0.0035411400000000, 0.0004822000000000 ] - [ -0.0101471000000000, 0.0038280800000000, 0.0002790200000000 ] - [ -0.0098238100000000, 0.0036952100000000, 0.0004985700000000 ] - [ -0.0096744200000000, 0.0034032800000000, 0.0004990400000000 ] - [ -0.0097348300000000, 0.0035956300000000, 0.0005084700000000 ] - [ -0.0100152500000000, -0.0040035600000000, 0.0011287800000000 ] - [ -0.0097740100000000, -0.0038039500000000, 0.0005881900000000 ] - [ -0.0085682400000000, -0.0036321000000000, -0.0008588000000000 ] - [ -0.0100201800000000, -0.0035954800000000, 0.0004852700000000 ] - [ -0.0099211600000000, -0.0041839500000000, -0.0001745400000000 ] - [ -0.0097506500000000, -0.0038193300000000, 0.0004166300000000 ] - [ -0.0088058800000000, -0.0037047300000000, 0.0017503100000000 ] - [ -0.0101361200000000, -0.0035604400000000, 0.0006765500000000 ] - [ 0.0100152500000000, -0.0040035600000000, 0.0011287800000000 ] - [ 0.0097740100000000, -0.0038039500000000, 0.0005881900000000 ] - [ 0.0085682400000000, -0.0036321000000000, -0.0008588000000000 ] - [ 0.0100201800000000, -0.0035954800000000, 0.0004852700000000 ] - [ 0.0099211600000000, -0.0041839500000000, -0.0001745400000000 ] - [ 0.0097506500000000, -0.0038193300000000, 0.0004166300000000 ] - [ 0.0088058800000000, -0.0037047300000000, 0.0017503100000000 ] - [ 0.0101361200000000, -0.0035604400000000, 0.0006765500000000 ] - [ 0.0318370700000000, 0.0202533600000000, 0.0076847300000000 ] - [ 0.0104764900000000, 0.0040435800000000, 0.0007291600000000 ] - [ 0.0103148800000000, 0.0013555800000000, 0.0006921700000000 ] - [ 0.0097234500000000, 0.0035411400000000, 0.0004822000000000 ] - [ 0.0101471000000000, 0.0038280800000000, 0.0002790200000000 ] - [ 0.0098238100000000, 0.0036952100000000, 0.0004985700000000 ] - [ 0.0096744200000000, 0.0034032800000000, 0.0004990400000000 ] - [ 0.0097348300000000, 0.0035956300000000, 0.0005084700000000 ] - [ 0.0000000000000000, -0.1116610400000000, 0.0006750500000000 ] - [ 0.0000000000000000, -0.0093158200000000, -0.0017267500000000 ] - [ 0.0000000000000000, -0.0055845300000000, -0.0010788600000000 ] - [ 0.0000000000000000, -0.0076368400000000, -0.0011710100000000 ] - [ 0.0000000000000000, -0.0076510500000000, -0.0009871600000000 ] - [ 0.0000000000000000, -0.0082196800000000, -0.0010038300000000 ] - [ 0.0000000000000000, -0.0076341300000000, -0.0013138300000000 ] - [ 0.0000000000000000, -0.0078196800000000, -0.0011579300000000 ] - [ -0.0003419100000000, 0.0086449300000000, -0.0010463800000000 ] - [ 0.0003419100000000, 0.0086449300000000, -0.0010463800000000 ] - [ 0.0008837100000000, 0.0066816600000000, -0.0016369900000000 ] - [ -0.0008837100000000, 0.0066816600000000, -0.0016369900000000 ] - [ -0.0004374900000000, 0.0086469100000000, -0.0011150800000000 ] - [ 0.0004374900000000, 0.0086469100000000, -0.0011150800000000 ] - [ 0.0010261400000000, 0.0066836900000000, -0.0011418600000000 ] - [ -0.0010261400000000, 0.0066836900000000, -0.0011418600000000 ] - [ 0.0000000000000000, 0.0007966700000000, -0.0045668000000000 ] - [ 0.0000000000000000, 0.0006509500000000, -0.0047369000000000 ] - [ 0.0000000000000000, 0.0003004700000000, -0.0097280700000000 ] - [ 0.0000000000000000, 0.0003852200000000, -0.0047761100000000 ] - [ 0.0000000000000000, 0.0008393700000000, -0.0047988400000000 ] - [ 0.0000000000000000, 0.0006436500000000, -0.0047732100000000 ] - [ 0.0000000000000000, -0.0008307800000000, -0.0040843500000000 ] - [ 0.0000000000000000, 0.0004057900000000, -0.0047588500000000 ] - [ -0.0019189700000000, -0.0026419600000000, -0.0058142600000000 ] - [ 0.0019189700000000, -0.0026419600000000, -0.0058142600000000 ] - [ 0.0003917400000000, -0.0002024200000000, -0.0047638900000000 ] - [ -0.0003917400000000, -0.0002024200000000, -0.0047638900000000 ] - [ 0.0000969900000000, -0.0006101200000000, -0.0045377900000000 ] - [ -0.0000969900000000, -0.0006101200000000, -0.0045377900000000 ] - [ 0.0000657300000000, -0.0004551400000000, -0.0047885900000000 ] - [ -0.0000657300000000, -0.0004551400000000, -0.0047885900000000 ] - [ -0.0042588200000000, 0.0020203100000000, -0.0016220600000000 ] - [ -0.0023833400000000, -0.0017574400000000, -0.0013107200000000 ] - [ 0.0053646500000000, 0.0027191900000000, 0.0014935200000000 ] - [ -0.0028754100000000, -0.0019471900000000, -0.0009388300000000 ] - [ -0.0023790300000000, -0.0023056900000000, -0.0007720800000000 ] - [ -0.0024480800000000, -0.0021235800000000, -0.0010845900000000 ] - [ -0.0028360300000000, -0.0023359500000000, -0.0019141300000000 ] - [ -0.0026410200000000, -0.0021087700000000, -0.0012535000000000 ] - [ -0.0028157700000000, 0.0017024000000000, 0.0036508100000000 ] - [ -0.0027206300000000, 0.0022106600000000, -0.0007881900000000 ] - [ -0.0027154600000000, 0.0029006000000000, -0.0018104000000000 ] - [ -0.0024202700000000, 0.0022259400000000, -0.0011916800000000 ] - [ -0.0034715100000000, 0.0021928100000000, -0.0021105100000000 ] - [ -0.0025278900000000, 0.0021871200000000, -0.0012506800000000 ] - [ -0.0025174000000000, 0.0027744200000000, -0.0010736100000000 ] - [ -0.0024109100000000, 0.0021860000000000, -0.0011685600000000 ] - [ 0.0042588200000000, 0.0020203100000000, -0.0016220600000000 ] - [ 0.0023833400000000, -0.0017574400000000, -0.0013107200000000 ] - [ -0.0053646500000000, 0.0027191900000000, 0.0014935200000000 ] - [ 0.0028754100000000, -0.0019471900000000, -0.0009388300000000 ] - [ 0.0023790300000000, -0.0023056900000000, -0.0007720800000000 ] - [ 0.0024480800000000, -0.0021235800000000, -0.0010845900000000 ] - [ 0.0028360300000000, -0.0023359500000000, -0.0019141300000000 ] - [ 0.0026410200000000, -0.0021087700000000, -0.0012535000000000 ] - [ 0.0028157700000000, 0.0017024000000000, 0.0036508100000000 ] - [ 0.0027206300000000, 0.0022106600000000, -0.0007881900000000 ] - [ 0.0027154600000000, 0.0029006000000000, -0.0018104000000000 ] - [ 0.0024202700000000, 0.0022259400000000, -0.0011916800000000 ] - [ 0.0034715100000000, 0.0021928100000000, -0.0021105100000000 ] - [ 0.0025278900000000, 0.0021871200000000, -0.0012506800000000 ] - [ 0.0025174000000000, 0.0027744200000000, -0.0010736100000000 ] - [ 0.0024109100000000, 0.0021860000000000, -0.0011685600000000 ]- atom: 65 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000905000000000, -0.0122741900000000, 0.0001085700000000 ] - [ 0.0000905000000000, -0.0122741900000000, 0.0001085700000000 ] - [ 0.0001115800000000, -0.0111045400000000, 0.0003422400000000 ] - [ -0.0001115800000000, -0.0111045400000000, 0.0003422400000000 ] - [ -0.0005819000000000, -0.0126658800000000, 0.0011137000000000 ] - [ 0.0005819000000000, -0.0126658800000000, 0.0011137000000000 ] - [ 0.0001615200000000, -0.0109371600000000, 0.0002500000000000 ] - [ -0.0001615200000000, -0.0109371600000000, 0.0002500000000000 ] - [ 0.0000000000000000, 0.0137735300000000, 0.0001058000000000 ] - [ 0.0000000000000000, 0.0118095700000000, 0.0002568300000000 ] - [ 0.0000000000000000, -0.0468958100000000, 0.0225531800000000 ] - [ 0.0000000000000000, 0.0109960800000000, 0.0003274100000000 ] - [ 0.0000000000000000, 0.0118777000000000, 0.0002995100000000 ] - [ 0.0000000000000000, 0.0116480600000000, 0.0002841300000000 ] - [ 0.0000000000000000, 0.0106594200000000, -0.0004463100000000 ] - [ 0.0000000000000000, 0.0113084500000000, 0.0002865500000000 ] - [ 0.0000000000000000, -0.0007508900000000, 0.0064662600000000 ] - [ 0.0000000000000000, 0.0039174500000000, 0.0067829200000000 ] - [ 0.0000000000000000, 0.0045369200000000, 0.0070709900000000 ] - [ 0.0000000000000000, 0.0041388800000000, 0.0069373600000000 ] - [ 0.0000000000000000, 0.0037530400000000, 0.0076535400000000 ] - [ 0.0000000000000000, 0.0039449100000000, 0.0071288700000000 ] - [ 0.0000000000000000, 0.0044085200000000, 0.0067694000000000 ] - [ 0.0000000000000000, 0.0041328700000000, 0.0069550000000000 ] - [ -0.0000105400000000, -0.0034746200000000, 0.0070340500000000 ] - [ 0.0000105400000000, -0.0034746200000000, 0.0070340500000000 ] - [ 0.0015262800000000, -0.0047244300000000, 0.0066279400000000 ] - [ -0.0015262800000000, -0.0047244300000000, 0.0066279400000000 ] - [ -0.0001106400000000, -0.0039272700000000, 0.0069245700000000 ] - [ 0.0001106400000000, -0.0039272700000000, 0.0069245700000000 ] - [ 0.0003483500000000, -0.0043797300000000, 0.0070026800000000 ] - [ -0.0003483500000000, -0.0043797300000000, 0.0070026800000000 ] - [ 0.0118561800000000, -0.0129156000000000, -0.0064929400000000 ] - [ -0.0090930500000000, 0.0033145900000000, 0.0003035700000000 ] - [ -0.0092597400000000, 0.0059882600000000, 0.0003395900000000 ] - [ -0.0098478000000000, 0.0038158400000000, 0.0005496500000000 ] - [ -0.0094289700000000, 0.0035313600000000, 0.0007466700000000 ] - [ -0.0097478600000000, 0.0036615600000000, 0.0005320300000000 ] - [ -0.0098988700000000, 0.0039559400000000, 0.0005332700000000 ] - [ -0.0098307600000000, 0.0037601000000000, 0.0005205200000000 ] - [ -0.0095556000000000, -0.0033505600000000, -0.0000987500000000 ] - [ -0.0097955700000000, -0.0035510500000000, 0.0004408400000000 ] - [ -0.0110109800000000, -0.0037200100000000, 0.0018971400000000 ] - [ -0.0095513000000000, -0.0037607100000000, 0.0005456700000000 ] - [ -0.0096501500000000, -0.0031661700000000, 0.0012082300000000 ] - [ -0.0098206500000000, -0.0035343500000000, 0.0006135500000000 ] - [ -0.0107643000000000, -0.0036475100000000, -0.0007230700000000 ] - [ -0.0094321200000000, -0.0037949000000000, 0.0003519900000000 ] - [ 0.0095556000000000, -0.0033505600000000, -0.0000987500000000 ] - [ 0.0097955700000000, -0.0035510500000000, 0.0004408400000000 ] - [ 0.0110109800000000, -0.0037200100000000, 0.0018971400000000 ] - [ 0.0095513000000000, -0.0037607100000000, 0.0005456700000000 ] - [ 0.0096501500000000, -0.0031661700000000, 0.0012082300000000 ] - [ 0.0098206500000000, -0.0035343500000000, 0.0006135500000000 ] - [ 0.0107643000000000, -0.0036475100000000, -0.0007230700000000 ] - [ 0.0094321200000000, -0.0037949000000000, 0.0003519900000000 ] - [ -0.0118561800000000, -0.0129156000000000, -0.0064929400000000 ] - [ 0.0090930500000000, 0.0033145900000000, 0.0003035700000000 ] - [ 0.0092597400000000, 0.0059882600000000, 0.0003395900000000 ] - [ 0.0098478000000000, 0.0038158400000000, 0.0005496500000000 ] - [ 0.0094289700000000, 0.0035313600000000, 0.0007466700000000 ] - [ 0.0097478600000000, 0.0036615600000000, 0.0005320300000000 ] - [ 0.0098988700000000, 0.0039559400000000, 0.0005332700000000 ] - [ 0.0098307600000000, 0.0037601000000000, 0.0005205200000000 ] - [ 0.0000000000000000, 0.0983869700000000, -0.0049539700000000 ] - [ 0.0000000000000000, -0.0067207100000000, -0.0006185100000000 ] - [ 0.0000000000000000, -0.0104431600000000, -0.0012680100000000 ] - [ 0.0000000000000000, -0.0084048900000000, -0.0011759500000000 ] - [ 0.0000000000000000, -0.0083875200000000, -0.0013615800000000 ] - [ 0.0000000000000000, -0.0078210900000000, -0.0013444900000000 ] - [ 0.0000000000000000, -0.0084097900000000, -0.0010343100000000 ] - [ 0.0000000000000000, -0.0082208800000000, -0.0011885500000000 ] - [ 0.0003442000000000, 0.0074024200000000, -0.0013009400000000 ] - [ -0.0003442000000000, 0.0074024200000000, -0.0013009400000000 ] - [ -0.0008844700000000, 0.0093706900000000, -0.0007030800000000 ] - [ 0.0008844700000000, 0.0093706900000000, -0.0007030800000000 ] - [ 0.0004368300000000, 0.0074038400000000, -0.0012322100000000 ] - [ -0.0004368300000000, 0.0074038400000000, -0.0012322100000000 ] - [ -0.0010308900000000, 0.0093728500000000, -0.0012060400000000 ] - [ 0.0010308900000000, 0.0093728500000000, -0.0012060400000000 ] - [ 0.0000000000000000, 0.0003466800000000, -0.0049543400000000 ] - [ 0.0000000000000000, 0.0004975100000000, -0.0047837600000000 ] - [ 0.0000000000000000, 0.0008327500000000, 0.0002256300000000 ] - [ 0.0000000000000000, 0.0007638600000000, -0.0047445400000000 ] - [ 0.0000000000000000, 0.0003083700000000, -0.0047221800000000 ] - [ 0.0000000000000000, 0.0005011500000000, -0.0047487300000000 ] - [ 0.0000000000000000, 0.0019756000000000, -0.0054454500000000 ] - [ 0.0000000000000000, 0.0007408000000000, -0.0047642500000000 ] - [ 0.0019208600000000, 0.0014956300000000, -0.0037101200000000 ] - [ -0.0019208600000000, 0.0014956300000000, -0.0037101200000000 ] - [ -0.0003902900000000, -0.0009473200000000, -0.0047554400000000 ] - [ 0.0003902900000000, -0.0009473200000000, -0.0047554400000000 ] - [ -0.0000979800000000, -0.0005372800000000, -0.0049826600000000 ] - [ 0.0000979800000000, -0.0005372800000000, -0.0049826600000000 ] - [ -0.0000666500000000, -0.0006957700000000, -0.0047346900000000 ] - [ 0.0000666500000000, -0.0006957700000000, -0.0047346900000000 ] - [ -0.0007590900000000, -0.0062702600000000, -0.0007135200000000 ] - [ -0.0026070000000000, -0.0025076900000000, -0.0010300800000000 ] - [ -0.0103661600000000, -0.0070255700000000, -0.0038285600000000 ] - [ -0.0021092300000000, -0.0023185900000000, -0.0014053800000000 ] - [ -0.0026096500000000, -0.0019600900000000, -0.0015711900000000 ] - [ -0.0025410300000000, -0.0021398800000000, -0.0012574400000000 ] - [ -0.0021521000000000, -0.0019267700000000, -0.0004272400000000 ] - [ -0.0023468200000000, -0.0021564900000000, -0.0010868200000000 ] - [ -0.0021703100000000, 0.0025716900000000, -0.0060022800000000 ] - [ -0.0022674800000000, 0.0020574400000000, -0.0015549400000000 ] - [ -0.0022727100000000, 0.0013648600000000, -0.0005331100000000 ] - [ -0.0025677800000000, 0.0020380600000000, -0.0011481300000000 ] - [ -0.0015283700000000, 0.0020608200000000, -0.0002303800000000 ] - [ -0.0024595600000000, 0.0020796100000000, -0.0010897200000000 ] - [ -0.0024719400000000, 0.0014870800000000, -0.0012681000000000 ] - [ -0.0025778000000000, 0.0020795900000000, -0.0011738700000000 ] - [ 0.0007590900000000, -0.0062702600000000, -0.0007135200000000 ] - [ 0.0026070000000000, -0.0025076900000000, -0.0010300800000000 ] - [ 0.0103661600000000, -0.0070255700000000, -0.0038285600000000 ] - [ 0.0021092300000000, -0.0023185900000000, -0.0014053800000000 ] - [ 0.0026096500000000, -0.0019600900000000, -0.0015711900000000 ] - [ 0.0025410300000000, -0.0021398800000000, -0.0012574400000000 ] - [ 0.0021521000000000, -0.0019267700000000, -0.0004272400000000 ] - [ 0.0023468200000000, -0.0021564900000000, -0.0010868200000000 ] - [ 0.0021703100000000, 0.0025716900000000, -0.0060022800000000 ] - [ 0.0022674800000000, 0.0020574400000000, -0.0015549400000000 ] - [ 0.0022727100000000, 0.0013648600000000, -0.0005331100000000 ] - [ 0.0025677800000000, 0.0020380600000000, -0.0011481300000000 ] - [ 0.0015283700000000, 0.0020608200000000, -0.0002303800000000 ] - [ 0.0024595600000000, 0.0020796100000000, -0.0010897200000000 ] - [ 0.0024719400000000, 0.0014870800000000, -0.0012681000000000 ] - [ 0.0025778000000000, 0.0020795900000000, -0.0011738700000000 ]- atom: 65 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0016620900000000, -0.0114679800000000, 0.0004469300000000 ] - [ 0.0016620900000000, -0.0114679800000000, 0.0004469300000000 ] - [ -0.0004221600000000, -0.0112662400000000, 0.0002925400000000 ] - [ 0.0004221600000000, -0.0112662400000000, 0.0002925400000000 ] - [ 0.0000337600000000, -0.0116371500000000, 0.0000106600000000 ] - [ -0.0000337600000000, -0.0116371500000000, 0.0000106600000000 ] - [ 0.0000464600000000, -0.0115486700000000, 0.0000782400000000 ] - [ -0.0000464600000000, -0.0115486700000000, 0.0000782400000000 ] - [ 0.0000000000000000, 0.0106880600000000, 0.0008280000000000 ] - [ 0.0000000000000000, 0.0114198000000000, 0.0004274600000000 ] - [ 0.0000000000000000, -0.0080395800000000, 0.0134046400000000 ] - [ 0.0000000000000000, 0.0115645300000000, 0.0004816900000000 ] - [ 0.0000000000000000, 0.0117907900000000, 0.0001541300000000 ] - [ 0.0000000000000000, 0.0115136300000000, 0.0002155900000000 ] - [ 0.0000000000000000, 0.0105801000000000, -0.0011987600000000 ] - [ 0.0000000000000000, 0.0114747000000000, 0.0001909700000000 ] - [ 0.0000000000000000, 0.0057486200000000, 0.0705214900000000 ] - [ 0.0000000000000000, 0.0040844000000000, 0.0074008200000000 ] - [ 0.0000000000000000, 0.0040263100000000, 0.0074823400000000 ] - [ 0.0000000000000000, 0.0039929900000000, 0.0071461300000000 ] - [ 0.0000000000000000, 0.0041762600000000, 0.0043570100000000 ] - [ 0.0000000000000000, 0.0040713000000000, 0.0066519400000000 ] - [ 0.0000000000000000, 0.0040964700000000, 0.0065387200000000 ] - [ 0.0000000000000000, 0.0040648700000000, 0.0067737400000000 ] - [ 0.0007309600000000, -0.0047842200000000, 0.0066550300000000 ] - [ -0.0007309600000000, -0.0047842200000000, 0.0066550300000000 ] - [ 0.0007514300000000, -0.0038266500000000, 0.0069807500000000 ] - [ -0.0007514300000000, -0.0038266500000000, 0.0069807500000000 ] - [ -0.0001677700000000, -0.0039540800000000, 0.0068397700000000 ] - [ 0.0001677700000000, -0.0039540800000000, 0.0068397700000000 ] - [ -0.0002020000000000, -0.0041518200000000, 0.0068745700000000 ] - [ 0.0002020000000000, -0.0041518200000000, 0.0068745700000000 ] - [ -0.0254049200000000, 0.0106682500000000, 0.0124348300000000 ] - [ -0.0103502400000000, 0.0039197500000000, 0.0007993100000000 ] - [ -0.0093271500000000, 0.0045244800000000, 0.0005720400000000 ] - [ -0.0099279400000000, 0.0037022400000000, 0.0006712600000000 ] - [ -0.0104795700000000, 0.0044036900000000, -0.0019913000000000 ] - [ -0.0096912500000000, 0.0036580300000000, 0.0003218500000000 ] - [ -0.0098300600000000, 0.0035833900000000, 0.0003718600000000 ] - [ -0.0097371300000000, 0.0036553500000000, 0.0003939800000000 ] - [ -0.0084671400000000, -0.0024772400000000, 0.0012507700000000 ] - [ -0.0100493700000000, -0.0036495900000000, 0.0007137000000000 ] - [ -0.0097978700000000, -0.0046560500000000, 0.0010518200000000 ] - [ -0.0101779000000000, -0.0038767500000000, 0.0006733200000000 ] - [ -0.0097384400000000, -0.0035749500000000, 0.0000719400000000 ] - [ -0.0097230400000000, -0.0036647700000000, 0.0002737300000000 ] - [ -0.0094679400000000, -0.0037672800000000, 0.0001864300000000 ] - [ -0.0096937900000000, -0.0036501700000000, 0.0002867200000000 ] - [ 0.0084671400000000, -0.0024772400000000, 0.0012507700000000 ] - [ 0.0100493700000000, -0.0036495900000000, 0.0007137000000000 ] - [ 0.0097978700000000, -0.0046560500000000, 0.0010518200000000 ] - [ 0.0101779000000000, -0.0038767500000000, 0.0006733200000000 ] - [ 0.0097384400000000, -0.0035749500000000, 0.0000719400000000 ] - [ 0.0097230400000000, -0.0036647700000000, 0.0002737300000000 ] - [ 0.0094679400000000, -0.0037672800000000, 0.0001864300000000 ] - [ 0.0096937900000000, -0.0036501700000000, 0.0002867200000000 ] - [ 0.0254049200000000, 0.0106682500000000, 0.0124348300000000 ] - [ 0.0103502400000000, 0.0039197500000000, 0.0007993100000000 ] - [ 0.0093271500000000, 0.0045244800000000, 0.0005720400000000 ] - [ 0.0099279400000000, 0.0037022400000000, 0.0006712600000000 ] - [ 0.0104795700000000, 0.0044036900000000, -0.0019913000000000 ] - [ 0.0096912500000000, 0.0036580300000000, 0.0003218500000000 ] - [ 0.0098300600000000, 0.0035833900000000, 0.0003718600000000 ] - [ 0.0097371300000000, 0.0036553500000000, 0.0003939800000000 ] - [ 0.0000000000000000, -0.0052770900000000, -0.1078002100000000 ] - [ 0.0000000000000000, -0.0085761400000000, -0.0022450200000000 ] - [ 0.0000000000000000, -0.0079258000000000, -0.0024467600000000 ] - [ 0.0000000000000000, -0.0080210600000000, -0.0016510900000000 ] - [ 0.0000000000000000, -0.0078321300000000, 0.0021913500000000 ] - [ 0.0000000000000000, -0.0078533000000000, -0.0007851700000000 ] - [ 0.0000000000000000, -0.0081636500000000, -0.0006297400000000 ] - [ 0.0000000000000000, -0.0080086900000000, -0.0009348100000000 ] - [ 0.0000571500000000, 0.0079700000000000, -0.0005715700000000 ] - [ -0.0000571500000000, 0.0079700000000000, -0.0005715700000000 ] - [ -0.0000683400000000, 0.0079972000000000, -0.0005853100000000 ] - [ 0.0000683400000000, 0.0079972000000000, -0.0005853100000000 ] - [ 0.0009000400000000, 0.0079021700000000, -0.0005733600000000 ] - [ -0.0009000400000000, 0.0079021700000000, -0.0005733600000000 ] - [ 0.0004489200000000, 0.0084953400000000, -0.0005871300000000 ] - [ -0.0004489200000000, 0.0084953400000000, -0.0005871300000000 ] - [ 0.0000000000000000, 0.0005608000000000, -0.0045480700000000 ] - [ 0.0000000000000000, 0.0005826200000000, -0.0047140100000000 ] - [ 0.0000000000000000, -0.0002303500000000, -0.0037308400000000 ] - [ 0.0000000000000000, 0.0005739200000000, -0.0047167600000000 ] - [ 0.0000000000000000, 0.0002992600000000, -0.0047445400000000 ] - [ 0.0000000000000000, 0.0005075100000000, -0.0047471600000000 ] - [ 0.0000000000000000, 0.0052688600000000, -0.0027882500000000 ] - [ 0.0000000000000000, 0.0005122200000000, -0.0047131100000000 ] - [ -0.0014786400000000, -0.0019909800000000, -0.0057767100000000 ] - [ 0.0014786400000000, -0.0019909800000000, -0.0057767100000000 ] - [ -0.0001749800000000, -0.0005390600000000, -0.0050872700000000 ] - [ 0.0001749800000000, -0.0005390600000000, -0.0050872700000000 ] - [ 0.0003573700000000, -0.0003305800000000, -0.0044742600000000 ] - [ -0.0003573700000000, -0.0003305800000000, -0.0044742600000000 ] - [ 0.0000493000000000, -0.0005704400000000, -0.0046176800000000 ] - [ -0.0000493000000000, -0.0005704400000000, -0.0046176800000000 ] - [ -0.0020023700000000, 0.0010668700000000, -0.0035517800000000 ] - [ -0.0021982800000000, -0.0020044900000000, -0.0017306500000000 ] - [ -0.0058617600000000, -0.0029001500000000, -0.0033265700000000 ] - [ -0.0022662700000000, -0.0022990600000000, -0.0017844300000000 ] - [ -0.0023485100000000, -0.0030575300000000, -0.0005678100000000 ] - [ -0.0025826700000000, -0.0021950400000000, -0.0008872900000000 ] - [ -0.0018022800000000, -0.0017072300000000, -0.0006025500000000 ] - [ -0.0026102500000000, -0.0020527900000000, -0.0008674100000000 ] - [ -0.0005630800000000, 0.0030952300000000, 0.0016339100000000 ] - [ -0.0025578800000000, 0.0021322100000000, -0.0008624000000000 ] - [ -0.0024816000000000, 0.0021386400000000, -0.0007222600000000 ] - [ -0.0025640100000000, 0.0021363700000000, -0.0010715200000000 ] - [ -0.0111460900000000, -0.0018269000000000, 0.0022463100000000 ] - [ -0.0020151200000000, 0.0017000500000000, -0.0010001500000000 ] - [ -0.0023199100000000, 0.0026386200000000, -0.0010262200000000 ] - [ -0.0022965900000000, 0.0022048800000000, -0.0010525100000000 ] - [ 0.0020023700000000, 0.0010668700000000, -0.0035517800000000 ] - [ 0.0021982800000000, -0.0020044900000000, -0.0017306500000000 ] - [ 0.0058617600000000, -0.0029001500000000, -0.0033265700000000 ] - [ 0.0022662700000000, -0.0022990600000000, -0.0017844300000000 ] - [ 0.0023485100000000, -0.0030575300000000, -0.0005678100000000 ] - [ 0.0025826700000000, -0.0021950400000000, -0.0008872900000000 ] - [ 0.0018022800000000, -0.0017072300000000, -0.0006025500000000 ] - [ 0.0026102500000000, -0.0020527900000000, -0.0008674100000000 ] - [ 0.0005630800000000, 0.0030952300000000, 0.0016339100000000 ] - [ 0.0025578800000000, 0.0021322100000000, -0.0008624000000000 ] - [ 0.0024816000000000, 0.0021386400000000, -0.0007222600000000 ] - [ 0.0025640100000000, 0.0021363700000000, -0.0010715200000000 ] - [ 0.0111460900000000, -0.0018269000000000, 0.0022463100000000 ] - [ 0.0020151200000000, 0.0017000500000000, -0.0010001500000000 ] - [ 0.0023199100000000, 0.0026386200000000, -0.0010262200000000 ] - [ 0.0022965900000000, 0.0022048800000000, -0.0010525100000000 ]- atom: 65 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0016724700000000, -0.0115142200000000, 0.0001442200000000 ] - [ -0.0016724700000000, -0.0115142200000000, 0.0001442200000000 ] - [ 0.0004241500000000, -0.0117211200000000, 0.0002930300000000 ] - [ -0.0004241500000000, -0.0117211200000000, 0.0002930300000000 ] - [ -0.0000349300000000, -0.0113519700000000, 0.0005769300000000 ] - [ 0.0000349300000000, -0.0113519700000000, 0.0005769300000000 ] - [ -0.0000463700000000, -0.0114333200000000, 0.0005105800000000 ] - [ 0.0000463700000000, -0.0114333200000000, 0.0005105800000000 ] - [ 0.0000000000000000, 0.0123051400000000, -0.0002441700000000 ] - [ 0.0000000000000000, 0.0115690200000000, 0.0001580900000000 ] - [ 0.0000000000000000, 0.0308916100000000, -0.0129725000000000 ] - [ 0.0000000000000000, 0.0114161600000000, 0.0001059200000000 ] - [ 0.0000000000000000, 0.0111968200000000, 0.0004326500000000 ] - [ 0.0000000000000000, 0.0114714800000000, 0.0003712400000000 ] - [ 0.0000000000000000, 0.0124034700000000, 0.0017769700000000 ] - [ 0.0000000000000000, 0.0115134100000000, 0.0003947200000000 ] - [ 0.0000000000000000, 0.0023723200000000, -0.0601639800000000 ] - [ 0.0000000000000000, 0.0040073300000000, 0.0064830600000000 ] - [ 0.0000000000000000, 0.0040661500000000, 0.0064092200000000 ] - [ 0.0000000000000000, 0.0041004700000000, 0.0067474100000000 ] - [ 0.0000000000000000, 0.0039164600000000, 0.0095240200000000 ] - [ 0.0000000000000000, 0.0040214300000000, 0.0072441200000000 ] - [ 0.0000000000000000, 0.0039955000000000, 0.0073569900000000 ] - [ 0.0000000000000000, 0.0040276900000000, 0.0071170800000000 ] - [ -0.0007361700000000, -0.0033020700000000, 0.0072337600000000 ] - [ 0.0007361700000000, -0.0033020700000000, 0.0072337600000000 ] - [ -0.0007560100000000, -0.0042655300000000, 0.0069144800000000 ] - [ 0.0007560100000000, -0.0042655300000000, 0.0069144800000000 ] - [ 0.0001687900000000, -0.0041362600000000, 0.0070559500000000 ] - [ -0.0001687900000000, -0.0041362600000000, 0.0070559500000000 ] - [ 0.0002020500000000, -0.0039387900000000, 0.0070201600000000 ] - [ -0.0002020500000000, -0.0039387900000000, 0.0070201600000000 ] - [ 0.0057498400000000, -0.0032832200000000, -0.0115446500000000 ] - [ -0.0092444700000000, 0.0034422600000000, 0.0002393400000000 ] - [ -0.0102656200000000, 0.0028301800000000, 0.0004640600000000 ] - [ -0.0096609300000000, 0.0036566900000000, 0.0003652500000000 ] - [ -0.0091171300000000, 0.0029593800000000, 0.0030166900000000 ] - [ -0.0098978900000000, 0.0036998700000000, 0.0007155700000000 ] - [ -0.0097603600000000, 0.0037759200000000, 0.0006658100000000 ] - [ -0.0098568200000000, 0.0037055700000000, 0.0006447800000000 ] - [ -0.0111299100000000, -0.0048902200000000, -0.0002124200000000 ] - [ -0.0095363000000000, -0.0037075000000000, 0.0003209500000000 ] - [ -0.0097996400000000, -0.0026934800000000, -0.0000141500000000 ] - [ -0.0094097000000000, -0.0034806700000000, 0.0003632400000000 ] - [ -0.0098561200000000, -0.0037820200000000, 0.0009691200000000 ] - [ -0.0098702900000000, -0.0036945900000000, 0.0007643000000000 ] - [ -0.0101184900000000, -0.0035901800000000, 0.0008514200000000 ] - [ -0.0098949300000000, -0.0037074300000000, 0.0007496200000000 ] - [ 0.0111299100000000, -0.0048902200000000, -0.0002124200000000 ] - [ 0.0095363000000000, -0.0037075000000000, 0.0003209500000000 ] - [ 0.0097996400000000, -0.0026934800000000, -0.0000141500000000 ] - [ 0.0094097000000000, -0.0034806700000000, 0.0003632400000000 ] - [ 0.0098561200000000, -0.0037820200000000, 0.0009691200000000 ] - [ 0.0098702900000000, -0.0036945900000000, 0.0007643000000000 ] - [ 0.0101184900000000, -0.0035901800000000, 0.0008514200000000 ] - [ 0.0098949300000000, -0.0037074300000000, 0.0007496200000000 ] - [ -0.0057498400000000, -0.0032832200000000, -0.0115446500000000 ] - [ 0.0092444700000000, 0.0034422600000000, 0.0002393400000000 ] - [ 0.0102656200000000, 0.0028301800000000, 0.0004640600000000 ] - [ 0.0096609300000000, 0.0036566900000000, 0.0003652500000000 ] - [ 0.0091171300000000, 0.0029593800000000, 0.0030166900000000 ] - [ 0.0098978900000000, 0.0036998700000000, 0.0007155700000000 ] - [ 0.0097603600000000, 0.0037759200000000, 0.0006658100000000 ] - [ 0.0098568200000000, 0.0037055700000000, 0.0006447800000000 ] - [ 0.0000000000000000, -0.0108720000000000, 0.1094584600000000 ] - [ 0.0000000000000000, -0.0074676900000000, -0.0000970000000000 ] - [ 0.0000000000000000, -0.0081196200000000, 0.0001065200000000 ] - [ 0.0000000000000000, -0.0080232800000000, -0.0006928100000000 ] - [ 0.0000000000000000, -0.0082108800000000, -0.0045239600000000 ] - [ 0.0000000000000000, -0.0081916900000000, -0.0015615000000000 ] - [ 0.0000000000000000, -0.0078817400000000, -0.0017181000000000 ] - [ 0.0000000000000000, -0.0080380600000000, -0.0014118200000000 ] - [ -0.0000566000000000, 0.0080828500000000, -0.0017768000000000 ] - [ 0.0000566000000000, 0.0080828500000000, -0.0017768000000000 ] - [ 0.0000677500000000, 0.0080579100000000, -0.0017624300000000 ] - [ -0.0000677500000000, 0.0080579100000000, -0.0017624300000000 ] - [ -0.0009060700000000, 0.0081537200000000, -0.0017775100000000 ] - [ 0.0009060700000000, 0.0081537200000000, -0.0017775100000000 ] - [ -0.0004526500000000, 0.0075575600000000, -0.0017629200000000 ] - [ 0.0004526500000000, 0.0075575600000000, -0.0017629200000000 ] - [ 0.0000000000000000, 0.0005815900000000, -0.0049713000000000 ] - [ 0.0000000000000000, 0.0005592100000000, -0.0048058600000000 ] - [ 0.0000000000000000, 0.0013610500000000, -0.0057891700000000 ] - [ 0.0000000000000000, 0.0005682600000000, -0.0048037600000000 ] - [ 0.0000000000000000, 0.0008425100000000, -0.0047766100000000 ] - [ 0.0000000000000000, 0.0006353100000000, -0.0047742100000000 ] - [ 0.0000000000000000, -0.0041455300000000, -0.0067478800000000 ] - [ 0.0000000000000000, 0.0006311600000000, -0.0048080400000000 ] - [ 0.0014835600000000, 0.0008495000000000, -0.0037358900000000 ] - [ -0.0014835600000000, 0.0008495000000000, -0.0037358900000000 ] - [ 0.0001756100000000, -0.0006053800000000, -0.0044307100000000 ] - [ -0.0001756100000000, -0.0006053800000000, -0.0044307100000000 ] - [ -0.0003554900000000, -0.0008130200000000, -0.0050483000000000 ] - [ 0.0003554900000000, -0.0008130200000000, -0.0050483000000000 ] - [ -0.0000494900000000, -0.0005737400000000, -0.0049046200000000 ] - [ 0.0000494900000000, -0.0005737400000000, -0.0049046200000000 ] - [ -0.0029804100000000, -0.0053387100000000, 0.0012224700000000 ] - [ -0.0027915800000000, -0.0022604100000000, -0.0006092000000000 ] - [ 0.0008786100000000, -0.0013580800000000, 0.0009988300000000 ] - [ -0.0027223600000000, -0.0019656400000000, -0.0005555200000000 ] - [ -0.0026396700000000, -0.0012080000000000, -0.0017771500000000 ] - [ -0.0024049100000000, -0.0020694700000000, -0.0014564000000000 ] - [ -0.0031858200000000, -0.0025582000000000, -0.0017417900000000 ] - [ -0.0023773300000000, -0.0022120700000000, -0.0014762200000000 ] - [ -0.0043937300000000, 0.0011873500000000, -0.0039673000000000 ] - [ -0.0024285200000000, 0.0021340500000000, -0.0014816700000000 ] - [ -0.0025067700000000, 0.0021275900000000, -0.0016221800000000 ] - [ -0.0024235600000000, 0.0021298100000000, -0.0012713700000000 ] - [ 0.0061779900000000, 0.0060998900000000, -0.0046309600000000 ] - [ -0.0029756000000000, 0.0025687000000000, -0.0013438000000000 ] - [ -0.0026685900000000, 0.0016242100000000, -0.0013178800000000 ] - [ -0.0026920300000000, 0.0020607700000000, -0.0012906500000000 ] - [ 0.0029804100000000, -0.0053387100000000, 0.0012224700000000 ] - [ 0.0027915800000000, -0.0022604100000000, -0.0006092000000000 ] - [ -0.0008786100000000, -0.0013580800000000, 0.0009988300000000 ] - [ 0.0027223600000000, -0.0019656400000000, -0.0005555200000000 ] - [ 0.0026396700000000, -0.0012080000000000, -0.0017771500000000 ] - [ 0.0024049100000000, -0.0020694700000000, -0.0014564000000000 ] - [ 0.0031858200000000, -0.0025582000000000, -0.0017417900000000 ] - [ 0.0023773300000000, -0.0022120700000000, -0.0014762200000000 ] - [ 0.0043937300000000, 0.0011873500000000, -0.0039673000000000 ] - [ 0.0024285200000000, 0.0021340500000000, -0.0014816700000000 ] - [ 0.0025067700000000, 0.0021275900000000, -0.0016221800000000 ] - [ 0.0024235600000000, 0.0021298100000000, -0.0012713700000000 ] - [ -0.0061779900000000, 0.0060998900000000, -0.0046309600000000 ] - [ 0.0029756000000000, 0.0025687000000000, -0.0013438000000000 ] - [ 0.0026685900000000, 0.0016242100000000, -0.0013178800000000 ] - [ 0.0026920300000000, 0.0020607700000000, -0.0012906500000000 ]- atom: 81 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000322100000000, -0.0115314700000000, 0.0002982400000000 ] - [ -0.0000322100000000, -0.0114640400000000, 0.0002843700000000 ] - [ 0.0000184200000000, -0.0113904900000000, 0.0003002500000000 ] - [ 0.0000167100000000, -0.0116050400000000, 0.0002809400000000 ] - [ -0.0001057000000000, -0.0120563800000000, 0.0001582400000000 ] - [ -0.0001067300000000, -0.0109418300000000, 0.0004240600000000 ] - [ -0.0004176700000000, -0.0108375700000000, 0.0001673100000000 ] - [ -0.0004127900000000, -0.0121527200000000, 0.0004147100000000 ] - [ -0.0007129100000000, 0.0115220200000000, 0.0003559500000000 ] - [ -0.0003351200000000, 0.0114979200000000, 0.0002912300000000 ] - [ 0.0001619600000000, 0.0114963700000000, 0.0002914900000000 ] - [ -0.0001133300000000, 0.0114993900000000, 0.0002907900000000 ] - [ 0.0005909700000000, 0.0115036500000000, 0.0002931000000000 ] - [ -0.0002218400000000, 0.0114988700000000, 0.0002916900000000 ] - [ 0.0001573100000000, 0.0114972700000000, 0.0002909600000000 ] - [ -0.0001034900000000, 0.0114988600000000, 0.0002908700000000 ] - [ 0.0002270400000000, 0.0040480500000000, 0.0069517900000000 ] - [ -0.0001170300000000, 0.0040475500000000, 0.0069555900000000 ] - [ 0.0001027100000000, 0.0040472100000000, 0.0069543800000000 ] - [ -0.0000977400000000, 0.0040474300000000, 0.0069523300000000 ] - [ 0.0006169800000000, 0.0040447900000000, 0.0069542700000000 ] - [ -0.0002549900000000, 0.0040470600000000, 0.0069541100000000 ] - [ -0.0023058900000000, 0.0039940300000000, 0.0069047900000000 ] - [ -0.0003726000000000, 0.0040478700000000, 0.0069530600000000 ] - [ -0.0005166500000000, -0.0040013000000000, 0.0062794300000000 ] - [ -0.0005153800000000, -0.0040917700000000, 0.0076249700000000 ] - [ -0.0000002100000000, -0.0041050000000000, 0.0068832400000000 ] - [ -0.0000012000000000, -0.0039884900000000, 0.0070223900000000 ] - [ -0.0000821600000000, -0.0039959300000000, 0.0074579200000000 ] - [ -0.0000817500000000, -0.0040974700000000, 0.0064555300000000 ] - [ -0.0000009400000000, -0.0040836000000000, 0.0069836700000000 ] - [ -0.0000012000000000, -0.0040112400000000, 0.0069234100000000 ] - [ -0.0094543300000000, 0.0032890600000000, 0.0001126200000000 ] - [ -0.0099635800000000, 0.0037697900000000, 0.0005994100000000 ] - [ -0.0096206300000000, 0.0036579100000000, 0.0004989500000000 ] - [ -0.0099527400000000, 0.0036615000000000, 0.0005968700000000 ] - [ -0.0095235300000000, 0.0033659200000000, 0.0009272700000000 ] - [ -0.0099300300000000, 0.0037589100000000, 0.0004937000000000 ] - [ -0.0096086700000000, 0.0036354500000000, 0.0003813700000000 ] - [ -0.0099060700000000, 0.0036899100000000, 0.0005084100000000 ] - [ -0.0096054300000000, -0.0037175900000000, 0.0003399300000000 ] - [ -0.0098752700000000, -0.0037300100000000, 0.0005371500000000 ] - [ -0.0097467700000000, -0.0036697700000000, 0.0005196600000000 ] - [ -0.0098229200000000, -0.0036825800000000, 0.0005225200000000 ] - [ 0.0059890100000000, -0.0137636000000000, 0.0073041300000000 ] - [ -0.0111081300000000, -0.0036842800000000, 0.0004966300000000 ] - [ -0.0095787800000000, -0.0037125600000000, 0.0004454700000000 ] - [ -0.0099353500000000, -0.0037299400000000, 0.0005337500000000 ] - [ 0.0099697100000000, -0.0036352800000000, 0.0006965300000000 ] - [ 0.0096951400000000, -0.0036256500000000, 0.0004947800000000 ] - [ 0.0098262100000000, -0.0036874900000000, 0.0005120300000000 ] - [ 0.0097482700000000, -0.0036730800000000, 0.0005091900000000 ] - [ 0.0247744000000000, 0.0059254100000000, -0.0059584800000000 ] - [ 0.0084761600000000, -0.0036690600000000, 0.0005329400000000 ] - [ 0.0099957600000000, -0.0036507700000000, 0.0005861000000000 ] - [ 0.0096380600000000, -0.0036270000000000, 0.0004981200000000 ] - [ 0.0101185100000000, 0.0040686100000000, 0.0009184400000000 ] - [ 0.0096059300000000, 0.0035843200000000, 0.0004325400000000 ] - [ 0.0099504100000000, 0.0036966400000000, 0.0005325500000000 ] - [ 0.0096211000000000, 0.0036942900000000, 0.0004365400000000 ] - [ 0.0100486800000000, 0.0039882400000000, 0.0001073500000000 ] - [ 0.0096408200000000, 0.0035958300000000, 0.0005394900000000 ] - [ 0.0099559300000000, 0.0037173000000000, 0.0006428700000000 ] - [ 0.0096659900000000, 0.0036666800000000, 0.0005245400000000 ] - [ -0.0007495400000000, -0.0080214700000000, -0.0011733900000000 ] - [ 0.0002955000000000, -0.0080217200000000, -0.0011725500000000 ] - [ -0.0002359500000000, -0.0080162300000000, -0.0011755900000000 ] - [ 0.0002096600000000, -0.0080224500000000, -0.0011725100000000 ] - [ -0.0005630100000000, -0.0080212900000000, -0.0011735400000000 ] - [ 0.0002409600000000, -0.0080207800000000, -0.0011729600000000 ] - [ 0.0000713500000000, -0.0080292800000000, -0.0011613100000000 ] - [ 0.0001523800000000, -0.0080227600000000, -0.0011732000000000 ] - [ 0.0032061500000000, 0.0060931500000000, 0.0003165600000000 ] - [ 0.0032160700000000, 0.0099328300000000, -0.0026447700000000 ] - [ -0.0001140900000000, 0.0084180700000000, -0.0009964900000000 ] - [ -0.0001110400000000, 0.0076358700000000, -0.0013477900000000 ] - [ -0.0001275500000000, 0.0081232500000000, -0.0015308900000000 ] - [ -0.0001242600000000, 0.0079290800000000, -0.0008175200000000 ] - [ -0.0000012300000000, 0.0080925900000000, -0.0012222700000000 ] - [ 0.0000006100000000, 0.0079595700000000, -0.0011226300000000 ] - [ -0.0299782000000000, 0.0010803800000000, -0.0051431300000000 ] - [ 0.0005522300000000, 0.0005759700000000, -0.0047597000000000 ] - [ -0.0001248000000000, 0.0005785300000000, -0.0047589600000000 ] - [ 0.0000891800000000, 0.0005773900000000, -0.0047592800000000 ] - [ 0.0000066400000000, 0.0005770600000000, -0.0047602300000000 ] - [ 0.0000666600000000, 0.0005781400000000, -0.0047592500000000 ] - [ -0.0000318400000000, 0.0005776000000000, -0.0047597200000000 ] - [ 0.0000343500000000, 0.0005776600000000, -0.0047588000000000 ] - [ 0.0000569300000000, -0.0005511200000000, -0.0047329400000000 ] - [ 0.0000581200000000, -0.0006052600000000, -0.0047848900000000 ] - [ -0.0000119100000000, -0.0007206000000000, -0.0047096500000000 ] - [ -0.0000110200000000, -0.0004372100000000, -0.0048072900000000 ] - [ 0.0000568200000000, -0.0005478500000000, -0.0048628400000000 ] - [ 0.0000575000000000, -0.0006094700000000, -0.0046558400000000 ] - [ -0.0000125100000000, -0.0006928900000000, -0.0048410700000000 ] - [ -0.0000104300000000, -0.0004658000000000, -0.0046774200000000 ] - [ -0.0028491600000000, -0.0022590900000000, -0.0004663700000000 ] - [ -0.0021348700000000, -0.0022373100000000, -0.0012562100000000 ] - [ -0.0025834400000000, -0.0021765000000000, -0.0011611800000000 ] - [ -0.0024112000000000, -0.0020881200000000, -0.0011847700000000 ] - [ -0.0029570600000000, -0.0021385900000000, -0.0039347500000000 ] - [ -0.0021748000000000, -0.0021283900000000, -0.0008783100000000 ] - [ -0.0025823500000000, -0.0021184000000000, -0.0012123300000000 ] - [ -0.0024110500000000, -0.0021090100000000, -0.0011052500000000 ] - [ -0.0030633100000000, -0.0004054900000000, -0.0019957600000000 ] - [ -0.0021525900000000, 0.0023919600000000, -0.0010628200000000 ] - [ -0.0026377900000000, 0.0026262500000000, -0.0012575100000000 ] - [ -0.0021018200000000, 0.0020207100000000, -0.0010622400000000 ] - [ -0.0025386500000000, 0.0021692600000000, -0.0009693900000000 ] - [ -0.0024199900000000, 0.0021794500000000, -0.0012082100000000 ] - [ -0.0025823100000000, 0.0021445100000000, -0.0012022000000000 ] - [ -0.0024088500000000, 0.0021218500000000, -0.0011896800000000 ] - [ 0.0021535000000000, -0.0020149600000000, -0.0018774700000000 ] - [ 0.0028530700000000, -0.0020261500000000, -0.0010860400000000 ] - [ 0.0024056000000000, -0.0020854400000000, -0.0011814700000000 ] - [ 0.0025765600000000, -0.0021754900000000, -0.0011578800000000 ] - [ 0.0020369600000000, -0.0021282900000000, 0.0015899000000000 ] - [ 0.0028135200000000, -0.0021349200000000, -0.0014679000000000 ] - [ 0.0024062500000000, -0.0021424400000000, -0.0011296800000000 ] - [ 0.0025764300000000, -0.0021542400000000, -0.0012383900000000 ] - [ 0.0019204600000000, 0.0046717300000000, -0.0003446600000000 ] - [ 0.0028345800000000, 0.0018751800000000, -0.0012786400000000 ] - [ 0.0023405000000000, 0.0016468900000000, -0.0010866800000000 ] - [ 0.0028864000000000, 0.0022429600000000, -0.0012792300000000 ] - [ 0.0024500900000000, 0.0020928600000000, -0.0013747500000000 ] - [ 0.0025685600000000, 0.0020847500000000, -0.0011352300000000 ] - [ 0.0024044400000000, 0.0021197600000000, -0.0011379000000000 ] - [ 0.0025803500000000, 0.0021426600000000, -0.0011535800000000 ]- atom: 81 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000003200000000, -0.0115886300000000, 0.0002946700000000 ] - [ -0.0000003200000000, -0.0115886300000000, 0.0002946700000000 ] - [ 0.0001378200000000, -0.0113347200000000, 0.0002768500000000 ] - [ -0.0001378200000000, -0.0113347200000000, 0.0002768500000000 ] - [ 0.0000467900000000, -0.0119863800000000, 0.0002577700000000 ] - [ -0.0000467900000000, -0.0119863800000000, 0.0002577700000000 ] - [ 0.0003124000000000, -0.0110417800000000, 0.0003251800000000 ] - [ -0.0003124000000000, -0.0110417800000000, 0.0003251800000000 ] - [ 0.0000000000000000, 0.0113167200000000, 0.0005554100000000 ] - [ 0.0000000000000000, 0.0116172700000000, 0.0002533600000000 ] - [ 0.0000000000000000, 0.0112607400000000, 0.0003103100000000 ] - [ 0.0000000000000000, 0.0114226900000000, 0.0002930500000000 ] - [ 0.0000000000000000, 0.0121767000000000, 0.0001005800000000 ] - [ 0.0000000000000000, 0.0115774600000000, 0.0003607400000000 ] - [ 0.0000000000000000, 0.0111856600000000, 0.0003209400000000 ] - [ 0.0000000000000000, 0.0114300000000000, 0.0003076500000000 ] - [ 0.0000000000000000, 0.0039902000000000, 0.0069195800000000 ] - [ 0.0000000000000000, 0.0040225900000000, 0.0069291700000000 ] - [ 0.0000000000000000, 0.0041555700000000, 0.0068722500000000 ] - [ 0.0000000000000000, 0.0040826200000000, 0.0069215500000000 ] - [ 0.0000000000000000, 0.0035711100000000, 0.0070873200000000 ] - [ 0.0000000000000000, 0.0039544800000000, 0.0069857800000000 ] - [ 0.0000000000000000, 0.0273887700000000, 0.0165766700000000 ] - [ 0.0000000000000000, 0.0041195200000000, 0.0069238300000000 ] - [ -0.0001625900000000, -0.0039079200000000, 0.0066756800000000 ] - [ 0.0001625900000000, -0.0039079200000000, 0.0066756800000000 ] - [ 0.0000987300000000, -0.0041329300000000, 0.0069452600000000 ] - [ -0.0000987300000000, -0.0041329300000000, 0.0069452600000000 ] - [ 0.0000139800000000, -0.0039448900000000, 0.0073120500000000 ] - [ -0.0000139800000000, -0.0039448900000000, 0.0073120500000000 ] - [ 0.0000877600000000, -0.0041313800000000, 0.0069283500000000 ] - [ -0.0000877600000000, -0.0041313800000000, 0.0069283500000000 ] - [ -0.0096600300000000, 0.0035581000000000, 0.0002243900000000 ] - [ -0.0097952600000000, 0.0036315900000000, 0.0004765300000000 ] - [ -0.0095026200000000, 0.0034427500000000, 0.0009182400000000 ] - [ -0.0098292200000000, 0.0037210600000000, 0.0005234700000000 ] - [ -0.0097614700000000, 0.0035193300000000, 0.0008067400000000 ] - [ -0.0097905800000000, 0.0036317700000000, 0.0005636100000000 ] - [ -0.0093864200000000, 0.0035840100000000, -0.0003773400000000 ] - [ -0.0098617800000000, 0.0037224400000000, 0.0005460200000000 ] - [ -0.0099441200000000, -0.0035840900000000, 0.0006893000000000 ] - [ -0.0097512200000000, -0.0036639300000000, 0.0005172700000000 ] - [ -0.0098734600000000, -0.0038229100000000, 0.0005062900000000 ] - [ -0.0097560600000000, -0.0036895600000000, 0.0005134200000000 ] - [ -0.0165884500000000, 0.0008197600000000, -0.0031928700000000 ] - [ -0.0105837200000000, -0.0034502000000000, 0.0003628300000000 ] - [ -0.0102386400000000, -0.0041575700000000, 0.0006532200000000 ] - [ -0.0097343000000000, -0.0037318200000000, 0.0005063200000000 ] - [ 0.0099441200000000, -0.0035840900000000, 0.0006893000000000 ] - [ 0.0097512200000000, -0.0036639300000000, 0.0005172700000000 ] - [ 0.0098734600000000, -0.0038229100000000, 0.0005062900000000 ] - [ 0.0097560600000000, -0.0036895600000000, 0.0005134200000000 ] - [ 0.0165884500000000, 0.0008197600000000, -0.0031928700000000 ] - [ 0.0105837200000000, -0.0034502000000000, 0.0003628300000000 ] - [ 0.0102386400000000, -0.0041575700000000, 0.0006532200000000 ] - [ 0.0097343000000000, -0.0037318200000000, 0.0005063200000000 ] - [ 0.0096600300000000, 0.0035581000000000, 0.0002243900000000 ] - [ 0.0097952600000000, 0.0036315900000000, 0.0004765300000000 ] - [ 0.0095026200000000, 0.0034427500000000, 0.0009182400000000 ] - [ 0.0098292200000000, 0.0037210600000000, 0.0005234700000000 ] - [ 0.0097614700000000, 0.0035193300000000, 0.0008067400000000 ] - [ 0.0097905800000000, 0.0036317700000000, 0.0005636100000000 ] - [ 0.0093864200000000, 0.0035840100000000, -0.0003773400000000 ] - [ 0.0098617800000000, 0.0037224400000000, 0.0005460200000000 ] - [ 0.0000000000000000, -0.0077876500000000, -0.0011774800000000 ] - [ 0.0000000000000000, -0.0079337600000000, -0.0011564000000000 ] - [ 0.0000000000000000, -0.0082637500000000, -0.0019636900000000 ] - [ 0.0000000000000000, -0.0082009100000000, -0.0011646700000000 ] - [ 0.0000000000000000, -0.0077468600000000, -0.0014377500000000 ] - [ 0.0000000000000000, -0.0079395900000000, -0.0012303900000000 ] - [ 0.0000000000000000, -0.0094109400000000, 0.0035267900000000 ] - [ 0.0000000000000000, -0.0081758700000000, -0.0012257700000000 ] - [ 0.0015620300000000, 0.0059507700000000, 0.0002501800000000 ] - [ -0.0015620300000000, 0.0059507700000000, 0.0002501800000000 ] - [ -0.0004660600000000, 0.0083835500000000, -0.0011971600000000 ] - [ 0.0004660600000000, 0.0083835500000000, -0.0011971600000000 ] - [ -0.0001598300000000, 0.0079779000000000, -0.0014054900000000 ] - [ 0.0001598300000000, 0.0079779000000000, -0.0014054900000000 ] - [ -0.0001173200000000, 0.0081356500000000, -0.0011671700000000 ] - [ 0.0001173200000000, 0.0081356500000000, -0.0011671700000000 ] - [ 0.0000000000000000, -0.0307040200000000, -0.0093505800000000 ] - [ 0.0000000000000000, 0.0002124600000000, -0.0045969800000000 ] - [ 0.0000000000000000, 0.0008193500000000, -0.0047443900000000 ] - [ 0.0000000000000000, 0.0006288200000000, -0.0047435100000000 ] - [ 0.0000000000000000, 0.0005532500000000, -0.0047360400000000 ] - [ 0.0000000000000000, 0.0005717400000000, -0.0047880700000000 ] - [ 0.0000000000000000, 0.0006362800000000, -0.0047533100000000 ] - [ 0.0000000000000000, 0.0006013700000000, -0.0047668100000000 ] - [ 0.0000300600000000, -0.0005159600000000, -0.0047439000000000 ] - [ -0.0000300600000000, -0.0005159600000000, -0.0047439000000000 ] - [ -0.0001147100000000, -0.0007026900000000, -0.0047410400000000 ] - [ 0.0001147100000000, -0.0007026900000000, -0.0047410400000000 ] - [ 0.0000276500000000, -0.0005157900000000, -0.0048053700000000 ] - [ -0.0000276500000000, -0.0005157900000000, -0.0048053700000000 ] - [ -0.0001413700000000, -0.0007020700000000, -0.0047470200000000 ] - [ 0.0001413700000000, -0.0007020700000000, -0.0047470200000000 ] - [ -0.0029792100000000, -0.0025116600000000, -0.0008065700000000 ] - [ -0.0025220500000000, -0.0020866900000000, -0.0011098300000000 ] - [ -0.0025026700000000, -0.0018619100000000, -0.0011878900000000 ] - [ -0.0024418800000000, -0.0021385300000000, -0.0011635100000000 ] - [ -0.0028158400000000, -0.0022690100000000, -0.0027017000000000 ] - [ -0.0025666800000000, -0.0021423700000000, -0.0014104200000000 ] - [ -0.0025983600000000, -0.0017436100000000, -0.0009949000000000 ] - [ -0.0024449300000000, -0.0021176800000000, -0.0011900600000000 ] - [ -0.0025758900000000, 0.0036080900000000, -0.0007624800000000 ] - [ -0.0024386700000000, 0.0023322700000000, -0.0010939800000000 ] - [ 0.0001499700000000, 0.0032621300000000, -0.0022938900000000 ] - [ -0.0025650900000000, 0.0021989100000000, -0.0011703000000000 ] - [ -0.0025377600000000, 0.0020205300000000, -0.0013131200000000 ] - [ -0.0025177300000000, 0.0021391400000000, -0.0012162900000000 ] - [ -0.0024366500000000, 0.0021254300000000, -0.0008102400000000 ] - [ -0.0025589800000000, 0.0021454800000000, -0.0011756800000000 ] - [ 0.0029792100000000, -0.0025116600000000, -0.0008065700000000 ] - [ 0.0025220500000000, -0.0020866900000000, -0.0011098300000000 ] - [ 0.0025026700000000, -0.0018619100000000, -0.0011878900000000 ] - [ 0.0024418800000000, -0.0021385300000000, -0.0011635100000000 ] - [ 0.0028158400000000, -0.0022690100000000, -0.0027017000000000 ] - [ 0.0025666800000000, -0.0021423700000000, -0.0014104200000000 ] - [ 0.0025983600000000, -0.0017436100000000, -0.0009949000000000 ] - [ 0.0024449300000000, -0.0021176800000000, -0.0011900600000000 ] - [ 0.0025758900000000, 0.0036080900000000, -0.0007624800000000 ] - [ 0.0024386700000000, 0.0023322700000000, -0.0010939800000000 ] - [ -0.0001499700000000, 0.0032621300000000, -0.0022938900000000 ] - [ 0.0025650900000000, 0.0021989100000000, -0.0011703000000000 ] - [ 0.0025377600000000, 0.0020205300000000, -0.0013131200000000 ] - [ 0.0025177300000000, 0.0021391400000000, -0.0012162900000000 ] - [ 0.0024366500000000, 0.0021254300000000, -0.0008102400000000 ] - [ 0.0025589800000000, 0.0021454800000000, -0.0011756800000000 ]- atom: 81 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000000400000000, -0.0114198300000000, 0.0002848900000000 ] - [ 0.0000000400000000, -0.0114198300000000, 0.0002848900000000 ] - [ -0.0001385500000000, -0.0116740200000000, 0.0003037200000000 ] - [ 0.0001385500000000, -0.0116740200000000, 0.0003037200000000 ] - [ -0.0000452600000000, -0.0110203100000000, 0.0003200100000000 ] - [ 0.0000452600000000, -0.0110203100000000, 0.0003200100000000 ] - [ -0.0003215100000000, -0.0119685200000000, 0.0002547400000000 ] - [ 0.0003215100000000, -0.0119685200000000, 0.0002547400000000 ] - [ 0.0000000000000000, 0.0116426600000000, 0.0001379400000000 ] - [ 0.0000000000000000, 0.0113947800000000, 0.0003241900000000 ] - [ 0.0000000000000000, 0.0117493600000000, 0.0002681900000000 ] - [ 0.0000000000000000, 0.0115666200000000, 0.0002939300000000 ] - [ 0.0000000000000000, 0.0108231200000000, 0.0004906800000000 ] - [ 0.0000000000000000, 0.0114103800000000, 0.0002260400000000 ] - [ 0.0000000000000000, 0.0118263000000000, 0.0002581800000000 ] - [ 0.0000000000000000, 0.0115819500000000, 0.0002707900000000 ] - [ 0.0000000000000000, 0.0040975500000000, 0.0069973300000000 ] - [ 0.0000000000000000, 0.0040635900000000, 0.0069649200000000 ] - [ 0.0000000000000000, 0.0039241200000000, 0.0070522100000000 ] - [ 0.0000000000000000, 0.0040033700000000, 0.0069974200000000 ] - [ 0.0000000000000000, 0.0045112100000000, 0.0068296200000000 ] - [ 0.0000000000000000, 0.0041320200000000, 0.0069312100000000 ] - [ 0.0000000000000000, -0.0181477000000000, -0.0020433000000000 ] - [ 0.0000000000000000, 0.0039674900000000, 0.0069708100000000 ] - [ 0.0001619500000000, -0.0041792700000000, 0.0072354200000000 ] - [ -0.0001619500000000, -0.0041792700000000, 0.0072354200000000 ] - [ -0.0000991700000000, -0.0039532600000000, 0.0069703600000000 ] - [ 0.0000991700000000, -0.0039532600000000, 0.0069703600000000 ] - [ -0.0000141700000000, -0.0041428700000000, 0.0066008000000000 ] - [ 0.0000141700000000, -0.0041428700000000, 0.0066008000000000 ] - [ -0.0000888000000000, -0.0039546000000000, 0.0069869400000000 ] - [ 0.0000888000000000, -0.0039546000000000, 0.0069869400000000 ] - [ -0.0099150200000000, 0.0037864800000000, 0.0008019200000000 ] - [ -0.0097973600000000, 0.0037239800000000, 0.0005576100000000 ] - [ -0.0100701000000000, 0.0039030900000000, 0.0001048400000000 ] - [ -0.0097423000000000, 0.0036231600000000, 0.0005032800000000 ] - [ -0.0098136300000000, 0.0038293000000000, 0.0002207100000000 ] - [ -0.0097825100000000, 0.0037144100000000, 0.0004634300000000 ] - [ -0.0101930400000000, 0.0037647400000000, 0.0014147600000000 ] - [ -0.0097300500000000, 0.0036321700000000, 0.0004877900000000 ] - [ -0.0096344700000000, -0.0037637100000000, 0.0003431400000000 ] - [ -0.0098232200000000, -0.0036837900000000, 0.0005094600000000 ] - [ -0.0097018600000000, -0.0035250800000000, 0.0005227100000000 ] - [ -0.0098189800000000, -0.0036595600000000, 0.0005143600000000 ] - [ -0.0027995600000000, -0.0082095100000000, 0.0042730300000000 ] - [ -0.0089850500000000, -0.0038984700000000, 0.0006651000000000 ] - [ -0.0093298000000000, -0.0031863300000000, 0.0003718100000000 ] - [ -0.0098414600000000, -0.0036159100000000, 0.0005199200000000 ] - [ 0.0096344700000000, -0.0037637100000000, 0.0003431400000000 ] - [ 0.0098232200000000, -0.0036837900000000, 0.0005094600000000 ] - [ 0.0097018600000000, -0.0035250800000000, 0.0005227100000000 ] - [ 0.0098189800000000, -0.0036595600000000, 0.0005143600000000 ] - [ 0.0027995600000000, -0.0082095100000000, 0.0042730300000000 ] - [ 0.0089850500000000, -0.0038984700000000, 0.0006651000000000 ] - [ 0.0093298000000000, -0.0031863300000000, 0.0003718100000000 ] - [ 0.0098414600000000, -0.0036159100000000, 0.0005199200000000 ] - [ 0.0099150200000000, 0.0037864800000000, 0.0008019200000000 ] - [ 0.0097973600000000, 0.0037239800000000, 0.0005576100000000 ] - [ 0.0100701000000000, 0.0039030900000000, 0.0001048400000000 ] - [ 0.0097423000000000, 0.0036231600000000, 0.0005032800000000 ] - [ 0.0098136300000000, 0.0038293000000000, 0.0002207100000000 ] - [ 0.0097825100000000, 0.0037144100000000, 0.0004634300000000 ] - [ 0.0101930400000000, 0.0037647400000000, 0.0014147600000000 ] - [ 0.0097300500000000, 0.0036321700000000, 0.0004877900000000 ] - [ 0.0000000000000000, -0.0082595900000000, -0.0011718000000000 ] - [ 0.0000000000000000, -0.0081106600000000, -0.0011942700000000 ] - [ 0.0000000000000000, -0.0077520800000000, -0.0003881600000000 ] - [ 0.0000000000000000, -0.0078422900000000, -0.0011837600000000 ] - [ 0.0000000000000000, -0.0082973700000000, -0.0009106800000000 ] - [ 0.0000000000000000, -0.0081045700000000, -0.0011174600000000 ] - [ 0.0000000000000000, -0.0066258600000000, -0.0059004200000000 ] - [ 0.0000000000000000, -0.0078647700000000, -0.0011233200000000 ] - [ -0.0015688300000000, 0.0101099300000000, -0.0026073100000000 ] - [ 0.0015688300000000, 0.0101099300000000, -0.0026073100000000 ] - [ 0.0004698600000000, 0.0076622300000000, -0.0011480500000000 ] - [ -0.0004698600000000, 0.0076622300000000, -0.0011480500000000 ] - [ 0.0001591800000000, 0.0080737100000000, -0.0009411600000000 ] - [ -0.0001591800000000, 0.0080737100000000, -0.0009411600000000 ] - [ 0.0001173500000000, 0.0079155200000000, -0.0011804700000000 ] - [ -0.0001173500000000, 0.0079155200000000, -0.0011804700000000 ] - [ 0.0000000000000000, 0.0308457600000000, -0.0009029200000000 ] - [ 0.0000000000000000, 0.0009398400000000, -0.0049231800000000 ] - [ 0.0000000000000000, 0.0003310200000000, -0.0047751900000000 ] - [ 0.0000000000000000, 0.0005184900000000, -0.0047747100000000 ] - [ 0.0000000000000000, 0.0005946700000000, -0.0047870700000000 ] - [ 0.0000000000000000, 0.0005811600000000, -0.0047299200000000 ] - [ 0.0000000000000000, 0.0005122600000000, -0.0047659600000000 ] - [ 0.0000000000000000, 0.0005496400000000, -0.0047505200000000 ] - [ -0.0000308600000000, -0.0006390800000000, -0.0047733900000000 ] - [ 0.0000308600000000, -0.0006390800000000, -0.0047733900000000 ] - [ 0.0001136600000000, -0.0004523900000000, -0.0047768700000000 ] - [ -0.0001136600000000, -0.0004523900000000, -0.0047768700000000 ] - [ -0.0000271200000000, -0.0006400800000000, -0.0047139600000000 ] - [ 0.0000271200000000, -0.0006400800000000, -0.0047139600000000 ] - [ 0.0001424000000000, -0.0004517600000000, -0.0047702600000000 ] - [ -0.0001424000000000, -0.0004517600000000, -0.0047702600000000 ] - [ -0.0020191900000000, -0.0017589300000000, -0.0015430900000000 ] - [ -0.0024664700000000, -0.0021787200000000, -0.0012352500000000 ] - [ -0.0024854700000000, -0.0024033300000000, -0.0011566600000000 ] - [ -0.0025467200000000, -0.0021270900000000, -0.0011811600000000 ] - [ -0.0021659400000000, -0.0019930200000000, 0.0003643500000000 ] - [ -0.0024207500000000, -0.0021224900000000, -0.0009325000000000 ] - [ -0.0023891000000000, -0.0025254200000000, -0.0013500700000000 ] - [ -0.0025441100000000, -0.0021473200000000, -0.0011546800000000 ] - [ -0.0024056000000000, 0.0006452900000000, -0.0015802200000000 ] - [ -0.0025486900000000, 0.0019307400000000, -0.0012505900000000 ] - [ -0.0051429000000000, 0.0010076900000000, -0.0000432700000000 ] - [ -0.0024221900000000, 0.0020641900000000, -0.0011732800000000 ] - [ -0.0024502200000000, 0.0022433300000000, -0.0010317600000000 ] - [ -0.0024705000000000, 0.0021242300000000, -0.0011279100000000 ] - [ -0.0025485200000000, 0.0021402900000000, -0.0015394400000000 ] - [ -0.0024291200000000, 0.0021189600000000, -0.0011692000000000 ] - [ 0.0020191900000000, -0.0017589300000000, -0.0015430900000000 ] - [ 0.0024664700000000, -0.0021787200000000, -0.0012352500000000 ] - [ 0.0024854700000000, -0.0024033300000000, -0.0011566600000000 ] - [ 0.0025467200000000, -0.0021270900000000, -0.0011811600000000 ] - [ 0.0021659400000000, -0.0019930200000000, 0.0003643500000000 ] - [ 0.0024207500000000, -0.0021224900000000, -0.0009325000000000 ] - [ 0.0023891000000000, -0.0025254200000000, -0.0013500700000000 ] - [ 0.0025441100000000, -0.0021473200000000, -0.0011546800000000 ] - [ 0.0024056000000000, 0.0006452900000000, -0.0015802200000000 ] - [ 0.0025486900000000, 0.0019307400000000, -0.0012505900000000 ] - [ 0.0051429000000000, 0.0010076900000000, -0.0000432700000000 ] - [ 0.0024221900000000, 0.0020641900000000, -0.0011732800000000 ] - [ 0.0024502200000000, 0.0022433300000000, -0.0010317600000000 ] - [ 0.0024705000000000, 0.0021242300000000, -0.0011279100000000 ] - [ 0.0025485200000000, 0.0021402900000000, -0.0015394400000000 ] - [ 0.0024291200000000, 0.0021189600000000, -0.0011692000000000 ]- atom: 81 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0000396000000000, -0.0115405100000000, 0.0002284900000000 ] - [ 0.0000396000000000, -0.0115405100000000, 0.0002284900000000 ] - [ -0.0000873200000000, -0.0114536900000000, 0.0002071900000000 ] - [ 0.0000873200000000, -0.0114536900000000, 0.0002071900000000 ] - [ -0.0000411100000000, -0.0114279600000000, 0.0004128000000000 ] - [ 0.0000411100000000, -0.0114279600000000, 0.0004128000000000 ] - [ 0.0004317800000000, -0.0115926600000000, 0.0004775400000000 ] - [ -0.0004317800000000, -0.0115926600000000, 0.0004775400000000 ] - [ 0.0000000000000000, 0.0114145600000000, 0.0264179200000000 ] - [ 0.0000000000000000, 0.0115198000000000, 0.0002962100000000 ] - [ 0.0000000000000000, 0.0114512000000000, 0.0002662400000000 ] - [ 0.0000000000000000, 0.0114696400000000, 0.0002962700000000 ] - [ 0.0000000000000000, 0.0117088500000000, 0.0001723000000000 ] - [ 0.0000000000000000, 0.0114764400000000, 0.0002384700000000 ] - [ 0.0000000000000000, 0.0115147100000000, 0.0002487800000000 ] - [ 0.0000000000000000, 0.0115111800000000, 0.0002682000000000 ] - [ 0.0000000000000000, 0.0039846400000000, 0.0068424700000000 ] - [ 0.0000000000000000, 0.0040432300000000, 0.0069217500000000 ] - [ 0.0000000000000000, 0.0048988700000000, 0.0057233900000000 ] - [ 0.0000000000000000, 0.0040502900000000, 0.0069490600000000 ] - [ 0.0000000000000000, 0.0043647900000000, 0.0069809300000000 ] - [ 0.0000000000000000, 0.0040649400000000, 0.0069605100000000 ] - [ 0.0000000000000000, 0.0154573200000000, 0.0105847400000000 ] - [ 0.0000000000000000, 0.0040056600000000, 0.0069428600000000 ] - [ -0.0006132400000000, -0.0041528500000000, 0.0072357900000000 ] - [ 0.0006132400000000, -0.0041528500000000, 0.0072357900000000 ] - [ -0.0001072600000000, -0.0040193200000000, 0.0070931600000000 ] - [ 0.0001072600000000, -0.0040193200000000, 0.0070931600000000 ] - [ 0.0000337900000000, -0.0040322500000000, 0.0066383800000000 ] - [ -0.0000337900000000, -0.0040322500000000, 0.0066383800000000 ] - [ 0.0000204100000000, -0.0040704300000000, 0.0068571900000000 ] - [ -0.0000204100000000, -0.0040704300000000, 0.0068571900000000 ] - [ -0.0100367100000000, 0.0032493400000000, 0.0006594000000000 ] - [ -0.0097745500000000, 0.0036531200000000, 0.0005447000000000 ] - [ -0.0100969300000000, 0.0043326200000000, 0.0007211100000000 ] - [ -0.0097758100000000, 0.0036675900000000, 0.0005540100000000 ] - [ -0.0097662600000000, 0.0037774600000000, 0.0002925400000000 ] - [ -0.0097802300000000, 0.0036883600000000, 0.0004649500000000 ] - [ -0.0096133200000000, 0.0035570900000000, 0.0000526900000000 ] - [ -0.0097918600000000, 0.0036767800000000, 0.0004717200000000 ] - [ -0.0093948900000000, -0.0037730900000000, -0.0000230800000000 ] - [ -0.0098655300000000, -0.0036763700000000, 0.0004523200000000 ] - [ -0.0096813200000000, -0.0036135000000000, 0.0003919900000000 ] - [ -0.0098148900000000, -0.0036861400000000, 0.0004850900000000 ] - [ -0.0047131400000000, -0.0076095100000000, 0.0016345900000000 ] - [ -0.0093361100000000, -0.0037982800000000, 0.0006282000000000 ] - [ -0.0100569800000000, -0.0037656600000000, 0.0006445100000000 ] - [ -0.0097514200000000, -0.0036956900000000, 0.0005592100000000 ] - [ 0.0093948900000000, -0.0037730900000000, -0.0000230800000000 ] - [ 0.0098655300000000, -0.0036763700000000, 0.0004523200000000 ] - [ 0.0096813200000000, -0.0036135000000000, 0.0003919900000000 ] - [ 0.0098148900000000, -0.0036861400000000, 0.0004850900000000 ] - [ 0.0047131400000000, -0.0076095100000000, 0.0016345900000000 ] - [ 0.0093361100000000, -0.0037982800000000, 0.0006282000000000 ] - [ 0.0100569800000000, -0.0037656600000000, 0.0006445100000000 ] - [ 0.0097514200000000, -0.0036956900000000, 0.0005592100000000 ] - [ 0.0100367100000000, 0.0032493400000000, 0.0006594000000000 ] - [ 0.0097745500000000, 0.0036531200000000, 0.0005447000000000 ] - [ 0.0100969300000000, 0.0043326200000000, 0.0007211100000000 ] - [ 0.0097758100000000, 0.0036675900000000, 0.0005540100000000 ] - [ 0.0097662600000000, 0.0037774600000000, 0.0002925400000000 ] - [ 0.0097802300000000, 0.0036883600000000, 0.0004649500000000 ] - [ 0.0096133200000000, 0.0035570900000000, 0.0000526900000000 ] - [ 0.0097918600000000, 0.0036767800000000, 0.0004717200000000 ] - [ 0.0000000000000000, -0.0078240800000000, -0.0009589500000000 ] - [ 0.0000000000000000, -0.0079931200000000, -0.0011271200000000 ] - [ 0.0000000000000000, -0.0130134600000000, -0.0001488900000000 ] - [ 0.0000000000000000, -0.0080358700000000, -0.0011292800000000 ] - [ 0.0000000000000000, -0.0080551600000000, -0.0011552900000000 ] - [ 0.0000000000000000, -0.0080319200000000, -0.0011575500000000 ] - [ 0.0000000000000000, -0.0073244600000000, 0.0008167400000000 ] - [ 0.0000000000000000, -0.0080165900000000, -0.0011247600000000 ] - [ -0.0008977800000000, 0.0090838800000000, -0.0021966800000000 ] - [ 0.0008977800000000, 0.0090838800000000, -0.0021966800000000 ] - [ -0.0001372700000000, 0.0080272400000000, -0.0015024300000000 ] - [ 0.0001372700000000, 0.0080272400000000, -0.0015024300000000 ] - [ 0.0003559300000000, 0.0077989200000000, -0.0008828200000000 ] - [ -0.0003559300000000, 0.0077989200000000, -0.0008828200000000 ] - [ 0.0000837100000000, 0.0080505600000000, -0.0010269700000000 ] - [ -0.0000837100000000, 0.0080505600000000, -0.0010269700000000 ] - [ 0.0000000000000000, -0.0037281900000000, -0.0385698700000000 ] - [ 0.0000000000000000, 0.0007395300000000, -0.0049255800000000 ] - [ 0.0000000000000000, 0.0005933100000000, -0.0048722700000000 ] - [ 0.0000000000000000, 0.0005862400000000, -0.0047995300000000 ] - [ 0.0000000000000000, 0.0005985400000000, -0.0043842900000000 ] - [ 0.0000000000000000, 0.0005420900000000, -0.0047090800000000 ] - [ 0.0000000000000000, 0.0005786500000000, -0.0046905800000000 ] - [ 0.0000000000000000, 0.0005680300000000, -0.0047358700000000 ] - [ 0.0001043300000000, -0.0005286200000000, -0.0047374300000000 ] - [ -0.0001043300000000, -0.0005286200000000, -0.0047374300000000 ] - [ 0.0000832500000000, -0.0005859600000000, -0.0047287500000000 ] - [ -0.0000832500000000, -0.0005859600000000, -0.0047287500000000 ] - [ -0.0000260700000000, -0.0005904200000000, -0.0047388800000000 ] - [ 0.0000260700000000, -0.0005904200000000, -0.0047388800000000 ] - [ -0.0000491000000000, -0.0005927300000000, -0.0047276000000000 ] - [ 0.0000491000000000, -0.0005927300000000, -0.0047276000000000 ] - [ 0.0001928600000000, -0.0004712600000000, -0.0001600000000000 ] - [ -0.0026360700000000, -0.0020315600000000, -0.0010687700000000 ] - [ -0.0024579900000000, -0.0023607100000000, -0.0010688100000000 ] - [ -0.0025307600000000, -0.0021236500000000, -0.0011489700000000 ] - [ -0.0030337200000000, -0.0025597000000000, -0.0000908200000000 ] - [ -0.0024666900000000, -0.0021443200000000, -0.0010755300000000 ] - [ -0.0025500000000000, -0.0020254500000000, -0.0011045600000000 ] - [ -0.0024886700000000, -0.0021197800000000, -0.0011528600000000 ] - [ -0.0027262100000000, 0.0014603000000000, -0.0018019400000000 ] - [ -0.0025684700000000, 0.0020225100000000, -0.0013185700000000 ] - [ -0.0015138100000000, 0.0025688200000000, -0.0021277500000000 ] - [ -0.0025963400000000, 0.0022303100000000, -0.0013372600000000 ] - [ -0.0024629900000000, 0.0023683000000000, -0.0009401000000000 ] - [ -0.0024499400000000, 0.0021436900000000, -0.0010953600000000 ] - [ -0.0028868500000000, 0.0020186700000000, -0.0007839300000000 ] - [ -0.0024422100000000, 0.0021066500000000, -0.0010866500000000 ] - [ -0.0001928600000000, -0.0004712600000000, -0.0001600000000000 ] - [ 0.0026360700000000, -0.0020315600000000, -0.0010687700000000 ] - [ 0.0024579900000000, -0.0023607100000000, -0.0010688100000000 ] - [ 0.0025307600000000, -0.0021236500000000, -0.0011489700000000 ] - [ 0.0030337200000000, -0.0025597000000000, -0.0000908200000000 ] - [ 0.0024666900000000, -0.0021443200000000, -0.0010755300000000 ] - [ 0.0025500000000000, -0.0020254500000000, -0.0011045600000000 ] - [ 0.0024886700000000, -0.0021197800000000, -0.0011528600000000 ] - [ 0.0027262100000000, 0.0014603000000000, -0.0018019400000000 ] - [ 0.0025684700000000, 0.0020225100000000, -0.0013185700000000 ] - [ 0.0015138100000000, 0.0025688200000000, -0.0021277500000000 ] - [ 0.0025963400000000, 0.0022303100000000, -0.0013372600000000 ] - [ 0.0024629900000000, 0.0023683000000000, -0.0009401000000000 ] - [ 0.0024499400000000, 0.0021436900000000, -0.0010953600000000 ] - [ 0.0028868500000000, 0.0020186700000000, -0.0007839300000000 ] - [ 0.0024422100000000, 0.0021066500000000, -0.0010866500000000 ]- atom: 81 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000391400000000, -0.0114487800000000, 0.0003527400000000 ] - [ -0.0000391400000000, -0.0114487800000000, 0.0003527400000000 ] - [ 0.0000858800000000, -0.0115241900000000, 0.0003792300000000 ] - [ -0.0000858800000000, -0.0115241900000000, 0.0003792300000000 ] - [ 0.0000423500000000, -0.0115572900000000, 0.0001697100000000 ] - [ -0.0000423500000000, -0.0115572900000000, 0.0001697100000000 ] - [ -0.0004287800000000, -0.0113928300000000, 0.0001087600000000 ] - [ 0.0004287800000000, -0.0113928300000000, 0.0001087600000000 ] - [ 0.0000000000000000, 0.0116778700000000, -0.0274325800000000 ] - [ 0.0000000000000000, 0.0114682000000000, 0.0002852300000000 ] - [ 0.0000000000000000, 0.0115307000000000, 0.0003189000000000 ] - [ 0.0000000000000000, 0.0115050600000000, 0.0002915800000000 ] - [ 0.0000000000000000, 0.0112819000000000, 0.0004326900000000 ] - [ 0.0000000000000000, 0.0114966700000000, 0.0003491400000000 ] - [ 0.0000000000000000, 0.0114584200000000, 0.0003397100000000 ] - [ 0.0000000000000000, 0.0114780100000000, 0.0003134200000000 ] - [ 0.0000000000000000, 0.0041034300000000, 0.0070390600000000 ] - [ 0.0000000000000000, 0.0040458100000000, 0.0069516400000000 ] - [ 0.0000000000000000, 0.0031995400000000, 0.0081424700000000 ] - [ 0.0000000000000000, 0.0040378400000000, 0.0069406200000000 ] - [ 0.0000000000000000, 0.0037273900000000, 0.0068910000000000 ] - [ 0.0000000000000000, 0.0040243500000000, 0.0069266900000000 ] - [ 0.0000000000000000, -0.0072013100000000, 0.0033086200000000 ] - [ 0.0000000000000000, 0.0040829200000000, 0.0069306400000000 ] - [ 0.0006067100000000, -0.0039390900000000, 0.0066524200000000 ] - [ -0.0006067100000000, -0.0039390900000000, 0.0066524200000000 ] - [ 0.0001061200000000, -0.0040693900000000, 0.0067951200000000 ] - [ -0.0001061200000000, -0.0040693900000000, 0.0067951200000000 ] - [ -0.0000325700000000, -0.0040581600000000, 0.0072350400000000 ] - [ 0.0000325700000000, -0.0040581600000000, 0.0072350400000000 ] - [ -0.0000199500000000, -0.0040200000000000, 0.0070289000000000 ] - [ 0.0000199500000000, -0.0040200000000000, 0.0070289000000000 ] - [ -0.0095607900000000, 0.0041056200000000, 0.0003809900000000 ] - [ -0.0098269800000000, 0.0037087100000000, 0.0004945600000000 ] - [ -0.0095050900000000, 0.0030362500000000, 0.0003194500000000 ] - [ -0.0098140100000000, 0.0036886500000000, 0.0004814700000000 ] - [ -0.0098363800000000, 0.0035858900000000, 0.0007456900000000 ] - [ -0.0098094900000000, 0.0036685900000000, 0.0005711300000000 ] - [ -0.0099771400000000, 0.0037999800000000, 0.0009809600000000 ] - [ -0.0098107000000000, 0.0036853900000000, 0.0005678900000000 ] - [ -0.0101973900000000, -0.0035898300000000, 0.0010519300000000 ] - [ -0.0097349300000000, -0.0036848100000000, 0.0005851500000000 ] - [ -0.0099058300000000, -0.0037425300000000, 0.0006410000000000 ] - [ -0.0097740800000000, -0.0036717300000000, 0.0005489800000000 ] - [ -0.0148634600000000, 0.0002194800000000, -0.0006176300000000 ] - [ -0.0102509300000000, -0.0035620700000000, 0.0004069300000000 ] - [ -0.0095349000000000, -0.0035940500000000, 0.0003913700000000 ] - [ -0.0098380300000000, -0.0036606900000000, 0.0004759000000000 ] - [ 0.0101973900000000, -0.0035898300000000, 0.0010519300000000 ] - [ 0.0097349300000000, -0.0036848100000000, 0.0005851500000000 ] - [ 0.0099058300000000, -0.0037425300000000, 0.0006410000000000 ] - [ 0.0097740800000000, -0.0036717300000000, 0.0005489800000000 ] - [ 0.0148634600000000, 0.0002194800000000, -0.0006176300000000 ] - [ 0.0102509300000000, -0.0035620700000000, 0.0004069300000000 ] - [ 0.0095349000000000, -0.0035940500000000, 0.0003913700000000 ] - [ 0.0098380300000000, -0.0036606900000000, 0.0004759000000000 ] - [ 0.0095607900000000, 0.0041056200000000, 0.0003809900000000 ] - [ 0.0098269800000000, 0.0037087100000000, 0.0004945600000000 ] - [ 0.0095050900000000, 0.0030362500000000, 0.0003194500000000 ] - [ 0.0098140100000000, 0.0036886500000000, 0.0004814700000000 ] - [ 0.0098363800000000, 0.0035858900000000, 0.0007456900000000 ] - [ 0.0098094900000000, 0.0036685900000000, 0.0005711300000000 ] - [ 0.0099771400000000, 0.0037999800000000, 0.0009809600000000 ] - [ 0.0098107000000000, 0.0036853900000000, 0.0005678900000000 ] - [ 0.0000000000000000, -0.0082188800000000, -0.0013861800000000 ] - [ 0.0000000000000000, -0.0080513200000000, -0.0012215400000000 ] - [ 0.0000000000000000, -0.0030645200000000, -0.0022098800000000 ] - [ 0.0000000000000000, -0.0080081200000000, -0.0012180700000000 ] - [ 0.0000000000000000, -0.0079874100000000, -0.0011900100000000 ] - [ 0.0000000000000000, -0.0080122200000000, -0.0011883500000000 ] - [ 0.0000000000000000, -0.0086916200000000, -0.0031445200000000 ] - [ 0.0000000000000000, -0.0080281600000000, -0.0012228900000000 ] - [ 0.0008887600000000, 0.0069845200000000, -0.0001594700000000 ] - [ -0.0008887600000000, 0.0069845200000000, -0.0001594700000000 ] - [ 0.0001348900000000, 0.0080227000000000, -0.0008481200000000 ] - [ -0.0001348900000000, 0.0080227000000000, -0.0008481200000000 ] - [ -0.0003509700000000, 0.0082507000000000, -0.0014601600000000 ] - [ 0.0003509700000000, 0.0082507000000000, -0.0014601600000000 ] - [ -0.0000822000000000, 0.0080010800000000, -0.0013167600000000 ] - [ 0.0000822000000000, 0.0080010800000000, -0.0013167600000000 ] - [ 0.0000000000000000, 0.0046275100000000, 0.0310230800000000 ] - [ 0.0000000000000000, 0.0004051900000000, -0.0045969000000000 ] - [ 0.0000000000000000, 0.0005508400000000, -0.0046518600000000 ] - [ 0.0000000000000000, 0.0005529200000000, -0.0047225300000000 ] - [ 0.0000000000000000, 0.0005437200000000, -0.0051349600000000 ] - [ 0.0000000000000000, 0.0005967700000000, -0.0048092100000000 ] - [ 0.0000000000000000, 0.0005621600000000, -0.0048295900000000 ] - [ 0.0000000000000000, 0.0005775900000000, -0.0047842000000000 ] - [ -0.0001039500000000, -0.0006157300000000, -0.0047802000000000 ] - [ 0.0001039500000000, -0.0006157300000000, -0.0047802000000000 ] - [ -0.0000809800000000, -0.0005589600000000, -0.0047915700000000 ] - [ 0.0000809800000000, -0.0005589600000000, -0.0047915700000000 ] - [ 0.0000264100000000, -0.0005563500000000, -0.0047805200000000 ] - [ -0.0000264100000000, -0.0005563500000000, -0.0047805200000000 ] - [ 0.0000493700000000, -0.0005536400000000, -0.0047920400000000 ] - [ -0.0000493700000000, -0.0005536400000000, -0.0047920400000000 ] - [ -0.0051681700000000, -0.0037851900000000, -0.0021980200000000 ] - [ -0.0023527500000000, -0.0022334600000000, -0.0012777600000000 ] - [ -0.0025293400000000, -0.0019081300000000, -0.0012765800000000 ] - [ -0.0024569000000000, -0.0021417000000000, -0.0011971700000000 ] - [ -0.0019663000000000, -0.0017143900000000, -0.0022432800000000 ] - [ -0.0025210400000000, -0.0021206800000000, -0.0012696700000000 ] - [ -0.0024377600000000, -0.0022396100000000, -0.0012404200000000 ] - [ -0.0024993300000000, -0.0021447300000000, -0.0011946500000000 ] - [ -0.0022629800000000, 0.0027973100000000, -0.0005502200000000 ] - [ -0.0024195400000000, 0.0022409700000000, -0.0010297900000000 ] - [ -0.0034687100000000, 0.0016982800000000, -0.0002287400000000 ] - [ -0.0023924000000000, 0.0020346500000000, -0.0010112800000000 ] - [ -0.0025243600000000, 0.0018999900000000, -0.0014043300000000 ] - [ -0.0025382800000000, 0.0021210400000000, -0.0012500000000000 ] - [ -0.0021054100000000, 0.0022443700000000, -0.0015587900000000 ] - [ -0.0025431200000000, 0.0021581900000000, -0.0012587800000000 ] - [ 0.0051681700000000, -0.0037851900000000, -0.0021980200000000 ] - [ 0.0023527500000000, -0.0022334600000000, -0.0012777600000000 ] - [ 0.0025293400000000, -0.0019081300000000, -0.0012765800000000 ] - [ 0.0024569000000000, -0.0021417000000000, -0.0011971700000000 ] - [ 0.0019663000000000, -0.0017143900000000, -0.0022432800000000 ] - [ 0.0025210400000000, -0.0021206800000000, -0.0012696700000000 ] - [ 0.0024377600000000, -0.0022396100000000, -0.0012404200000000 ] - [ 0.0024993300000000, -0.0021447300000000, -0.0011946500000000 ] - [ 0.0022629800000000, 0.0027973100000000, -0.0005502200000000 ] - [ 0.0024195400000000, 0.0022409700000000, -0.0010297900000000 ] - [ 0.0034687100000000, 0.0016982800000000, -0.0002287400000000 ] - [ 0.0023924000000000, 0.0020346500000000, -0.0010112800000000 ] - [ 0.0025243600000000, 0.0018999900000000, -0.0014043300000000 ] - [ 0.0025382800000000, 0.0021210400000000, -0.0012500000000000 ] - [ 0.0021054100000000, 0.0022443700000000, -0.0015587900000000 ] - [ 0.0025431200000000, 0.0021581900000000, -0.0012587800000000 ]- atom: 97 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0002838000000000, -0.0117590500000000, 0.0002522400000000 ] - [ -0.0002397900000000, -0.0114489400000000, 0.0003395900000000 ] - [ 0.0002516500000000, -0.0108936900000000, -0.0000065800000000 ] - [ -0.0003325700000000, -0.0115852800000000, 0.0003426700000000 ] - [ 0.0003868200000000, -0.0115865300000000, 0.0000955200000000 ] - [ -0.0002423300000000, -0.0114405900000000, 0.0002045900000000 ] - [ 0.0004516400000000, -0.0101281100000000, 0.0018732500000000 ] - [ -0.0002973500000000, -0.0116280500000000, 0.0001765300000000 ] - [ 0.0279046100000000, 0.0270362800000000, 0.0135341600000000 ] - [ -0.0013652800000000, 0.0116734300000000, 0.0001708200000000 ] - [ 0.0004765300000000, 0.0112753500000000, 0.0002462800000000 ] - [ -0.0003916600000000, 0.0113703200000000, 0.0002574600000000 ] - [ 0.0004404900000000, 0.0118593700000000, -0.0001130400000000 ] - [ -0.0003280600000000, 0.0116074000000000, 0.0003363900000000 ] - [ 0.0001532500000000, 0.0115090600000000, 0.0003003200000000 ] - [ -0.0001373200000000, 0.0114493300000000, 0.0002923300000000 ] - [ 0.0003044100000000, 0.0042389600000000, 0.0073317400000000 ] - [ -0.0002964700000000, 0.0039846400000000, 0.0068628600000000 ] - [ 0.0003004500000000, 0.0032019800000000, 0.0082191800000000 ] - [ -0.0003019500000000, 0.0041411300000000, 0.0068359600000000 ] - [ 0.0002801200000000, 0.0040223700000000, 0.0068131900000000 ] - [ -0.0002681200000000, 0.0039425600000000, 0.0070525100000000 ] - [ 0.0003124100000000, 0.0039321900000000, 0.0060271400000000 ] - [ -0.0003016900000000, 0.0041187500000000, 0.0070112700000000 ] - [ 0.0294952100000000, -0.0197262300000000, -0.0048017300000000 ] - [ -0.0013701800000000, -0.0039980500000000, 0.0067936000000000 ] - [ 0.0005189700000000, -0.0037409100000000, 0.0069183100000000 ] - [ -0.0004644000000000, -0.0041231600000000, 0.0068514200000000 ] - [ 0.0004179100000000, -0.0041812100000000, 0.0071692700000000 ] - [ -0.0002939400000000, -0.0040819300000000, 0.0070805700000000 ] - [ 0.0001341200000000, -0.0040783700000000, 0.0069394400000000 ] - [ -0.0001457600000000, -0.0040254000000000, 0.0070105000000000 ] - [ -0.0088047400000000, 0.0040802900000000, -0.0009831400000000 ] - [ -0.0102895100000000, 0.0037899900000000, 0.0006060800000000 ] - [ -0.0084351900000000, 0.0026931200000000, 0.0003021100000000 ] - [ -0.0103646300000000, 0.0038862300000000, 0.0006023700000000 ] - [ -0.0095458200000000, 0.0034203100000000, 0.0003680200000000 ] - [ -0.0100026600000000, 0.0037210100000000, 0.0005490500000000 ] - [ -0.0092733300000000, 0.0036483500000000, 0.0004770300000000 ] - [ -0.0100837300000000, 0.0037677800000000, 0.0005808300000000 ] - [ -0.0105792700000000, -0.0035144800000000, 0.0012613700000000 ] - [ -0.0101491700000000, -0.0039399900000000, -0.0003723300000000 ] - [ -0.0099825200000000, -0.0038465600000000, 0.0006942900000000 ] - [ -0.0096887900000000, -0.0035609800000000, 0.0004723400000000 ] - [ -0.0101015500000000, -0.0035323700000000, -0.0000960900000000 ] - [ -0.0104207900000000, -0.0043069600000000, 0.0022794900000000 ] - [ -0.0098879000000000, -0.0038339900000000, 0.0003752700000000 ] - [ -0.0097020500000000, -0.0034614200000000, 0.0005259900000000 ] - [ 0.0111897500000000, -0.0049563800000000, 0.0007195700000000 ] - [ 0.0093231200000000, -0.0035837900000000, 0.0004337500000000 ] - [ 0.0101178100000000, -0.0037673000000000, 0.0006494700000000 ] - [ 0.0095269000000000, -0.0035997400000000, 0.0004728300000000 ] - [ 0.0110018300000000, -0.0042005700000000, 0.0013681400000000 ] - [ 0.0092777400000000, -0.0035450400000000, 0.0003378400000000 ] - [ 0.0100392400000000, -0.0036844100000000, 0.0004841400000000 ] - [ 0.0095445100000000, -0.0035987600000000, 0.0004445100000000 ] - [ 0.0095034300000000, 0.0046096600000000, 0.0003307900000000 ] - [ 0.0088918300000000, 0.0028728100000000, 0.0004198100000000 ] - [ 0.0089133700000000, 0.0013143900000000, 0.0006647500000000 ] - [ 0.0093169700000000, 0.0044176700000000, 0.0003520700000000 ] - [ 0.0099558200000000, 0.0038056700000000, 0.0005577600000000 ] - [ 0.0096415600000000, 0.0033869700000000, 0.0005620100000000 ] - [ 0.0097568200000000, 0.0036544900000000, 0.0004972700000000 ] - [ 0.0096114600000000, 0.0037566000000000, 0.0005463700000000 ] - [ -0.0005105200000000, -0.0097781300000000, -0.0006867300000000 ] - [ 0.0009936700000000, -0.0079111300000000, -0.0008805700000000 ] - [ -0.0014778500000000, -0.0001553000000000, -0.0045455200000000 ] - [ 0.0006570900000000, -0.0084067800000000, -0.0009465200000000 ] - [ -0.0004217100000000, -0.0079073700000000, -0.0010320900000000 ] - [ 0.0003303000000000, -0.0079765900000000, -0.0012646300000000 ] - [ -0.0002307000000000, -0.0083632500000000, -0.0004833200000000 ] - [ 0.0002688700000000, -0.0081679400000000, -0.0012920100000000 ] - [ -0.0019507800000000, 0.0089975400000000, -0.0098357000000000 ] - [ 0.0006250200000000, 0.0080596400000000, -0.0006961000000000 ] - [ -0.0002386800000000, 0.0080493600000000, -0.0010006500000000 ] - [ 0.0002494200000000, 0.0079426400000000, -0.0009796400000000 ] - [ -0.0005807200000000, 0.0083504400000000, 0.0007343800000000 ] - [ 0.0008763500000000, 0.0082538400000000, -0.0012419000000000 ] - [ -0.0003508200000000, 0.0082476000000000, -0.0011628800000000 ] - [ 0.0003532200000000, 0.0079526900000000, -0.0012476300000000 ] - [ -0.0003498300000000, 0.0000958200000000, -0.0020782300000000 ] - [ 0.0003571300000000, 0.0005484200000000, -0.0049020200000000 ] - [ -0.0000927500000000, 0.0005672700000000, -0.0047238900000000 ] - [ 0.0000800000000000, 0.0006268200000000, -0.0047968700000000 ] - [ -0.0004643400000000, 0.0002511200000000, -0.0052920400000000 ] - [ 0.0003161000000000, 0.0005013300000000, -0.0047329400000000 ] - [ -0.0000916900000000, 0.0004709800000000, -0.0048171800000000 ] - [ 0.0000795300000000, 0.0006265900000000, -0.0047542300000000 ] - [ -0.0005722300000000, -0.0004901300000000, -0.0049907500000000 ] - [ 0.0003375900000000, -0.0006329000000000, -0.0048340300000000 ] - [ -0.0001523200000000, -0.0032204100000000, -0.0037826900000000 ] - [ 0.0003877900000000, -0.0005058100000000, -0.0048613600000000 ] - [ -0.0000469700000000, -0.0005331100000000, -0.0047277000000000 ] - [ 0.0000734000000000, -0.0005523100000000, -0.0047133300000000 ] - [ -0.0000925200000000, -0.0006321800000000, -0.0051497400000000 ] - [ 0.0000850600000000, -0.0005120500000000, -0.0047095900000000 ] - [ -0.0653244200000000, -0.0036195900000000, 0.0006334800000000 ] - [ -0.0014988200000000, -0.0020376200000000, -0.0012544700000000 ] - [ -0.0026082600000000, -0.0019870100000000, -0.0013392300000000 ] - [ -0.0020486700000000, -0.0021982800000000, -0.0011604300000000 ] - [ -0.0026562500000000, -0.0021477100000000, -0.0012582800000000 ] - [ -0.0021015800000000, -0.0021125100000000, -0.0011034400000000 ] - [ -0.0026970500000000, -0.0021515200000000, -0.0011516000000000 ] - [ -0.0022952800000000, -0.0021583400000000, -0.0011334800000000 ] - [ -0.0024587400000000, 0.0017477900000000, -0.0006765400000000 ] - [ -0.0024845600000000, 0.0028606000000000, -0.0015079100000000 ] - [ -0.0022195700000000, 0.0023815400000000, -0.0004968000000000 ] - [ -0.0020792100000000, 0.0016509500000000, -0.0014526200000000 ] - [ -0.0024851800000000, 0.0017128000000000, -0.0013461700000000 ] - [ -0.0024586600000000, 0.0027069900000000, -0.0010693600000000 ] - [ -0.0020780800000000, 0.0022153800000000, -0.0013491400000000 ] - [ -0.0022189600000000, 0.0019400500000000, -0.0011240700000000 ] - [ 0.0075693700000000, -0.0041362600000000, -0.0021716200000000 ] - [ 0.0072827700000000, -0.0007472700000000, 0.0005019300000000 ] - [ 0.0023609000000000, -0.0012731000000000, -0.0014478600000000 ] - [ 0.0022124500000000, -0.0026480300000000, -0.0011417000000000 ] - [ 0.0022648800000000, -0.0020134000000000, -0.0007718300000000 ] - [ 0.0024864800000000, -0.0022257500000000, -0.0019005700000000 ] - [ 0.0024966700000000, -0.0020282100000000, -0.0010640800000000 ] - [ 0.0024911800000000, -0.0022847100000000, -0.0012065700000000 ] - [ 0.0020676300000000, 0.0025236200000000, -0.0004674000000000 ] - [ 0.0028270900000000, 0.0021081200000000, -0.0011873300000000 ] - [ 0.0014140000000000, 0.0019449000000000, -0.0008452800000000 ] - [ 0.0029258000000000, 0.0021298000000000, -0.0012022000000000 ] - [ 0.0020655100000000, 0.0029335300000000, -0.0011249800000000 ] - [ 0.0028280300000000, 0.0021244800000000, -0.0011893500000000 ] - [ 0.0014142600000000, 0.0020229700000000, -0.0012711600000000 ] - [ 0.0029241400000000, 0.0021388100000000, -0.0011933600000000 ]- atom: 97 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0002855100000000, -0.0112421000000000, 0.0003267100000000 ] - [ 0.0002397700000000, -0.0115567100000000, 0.0002387200000000 ] - [ -0.0002534000000000, -0.0121029200000000, 0.0005887600000000 ] - [ 0.0003316300000000, -0.0114008500000000, 0.0002425800000000 ] - [ -0.0003877000000000, -0.0114195300000000, 0.0004816200000000 ] - [ 0.0002412300000000, -0.0115453000000000, 0.0003802100000000 ] - [ -0.0004511800000000, -0.0128683000000000, -0.0012931900000000 ] - [ 0.0002973100000000, -0.0113710800000000, 0.0004048700000000 ] - [ -0.0269781300000000, -0.0032506000000000, -0.0124711500000000 ] - [ 0.0013588900000000, 0.0113334000000000, 0.0004071600000000 ] - [ -0.0004718400000000, 0.0117263000000000, 0.0003321800000000 ] - [ 0.0003909700000000, 0.0116119400000000, 0.0003297800000000 ] - [ -0.0004411500000000, 0.0111383400000000, 0.0006959600000000 ] - [ 0.0003268100000000, 0.0113708600000000, 0.0002524000000000 ] - [ -0.0001534500000000, 0.0114750000000000, 0.0002861900000000 ] - [ 0.0001365400000000, 0.0115568000000000, 0.0002865900000000 ] - [ -0.0003013900000000, 0.0038521400000000, 0.0065802700000000 ] - [ 0.0002958200000000, 0.0041062600000000, 0.0070234500000000 ] - [ -0.0003020100000000, 0.0048874100000000, 0.0056905000000000 ] - [ 0.0003023500000000, 0.0039498300000000, 0.0070771900000000 ] - [ -0.0002799600000000, 0.0040679800000000, 0.0070756200000000 ] - [ 0.0002682500000000, 0.0041484800000000, 0.0068610700000000 ] - [ -0.0003130100000000, 0.0041577800000000, 0.0078736600000000 ] - [ 0.0003009800000000, 0.0039723500000000, 0.0068726600000000 ] - [ -0.0305573400000000, 0.0123066400000000, 0.0193952800000000 ] - [ 0.0013731600000000, -0.0040951500000000, 0.0071100000000000 ] - [ -0.0005204100000000, -0.0043492700000000, 0.0069923200000000 ] - [ 0.0004645900000000, -0.0039662500000000, 0.0070413900000000 ] - [ -0.0004205900000000, -0.0039090500000000, 0.0067364500000000 ] - [ 0.0002925100000000, -0.0040094700000000, 0.0068147200000000 ] - [ -0.0001349200000000, -0.0040134300000000, 0.0069677100000000 ] - [ 0.0001460700000000, -0.0040652700000000, 0.0069056300000000 ] - [ -0.0107760600000000, 0.0034793600000000, 0.0019291200000000 ] - [ -0.0093097700000000, 0.0035734500000000, 0.0004333700000000 ] - [ -0.0111480200000000, 0.0046597000000000, 0.0007342700000000 ] - [ -0.0092131200000000, 0.0034685500000000, 0.0004313300000000 ] - [ -0.0100505700000000, 0.0039403700000000, 0.0006691800000000 ] - [ -0.0095744800000000, 0.0036320900000000, 0.0004837200000000 ] - [ -0.0103119900000000, 0.0037091100000000, 0.0005588200000000 ] - [ -0.0095183900000000, 0.0035973700000000, 0.0004594700000000 ] - [ -0.0090193000000000, -0.0038497500000000, -0.0002221100000000 ] - [ -0.0094312000000000, -0.0034159500000000, 0.0014092500000000 ] - [ -0.0095934200000000, -0.0035070900000000, 0.0003362600000000 ] - [ -0.0098941900000000, -0.0037967500000000, 0.0005611000000000 ] - [ -0.0094826300000000, -0.0038258200000000, 0.0011298900000000 ] - [ -0.0091677300000000, -0.0030537300000000, -0.0012396600000000 ] - [ -0.0097053400000000, -0.0035274400000000, 0.0006608300000000 ] - [ -0.0098772400000000, -0.0038931500000000, 0.0005058800000000 ] - [ 0.0084055000000000, -0.0024353300000000, 0.0005370400000000 ] - [ 0.0102694900000000, -0.0037770300000000, 0.0006014000000000 ] - [ 0.0094644100000000, -0.0035887600000000, 0.0003833200000000 ] - [ 0.0100482800000000, -0.0037520000000000, 0.0005575800000000 ] - [ 0.0085841800000000, -0.0031553000000000, -0.0003331800000000 ] - [ 0.0103053500000000, -0.0038104500000000, 0.0006955100000000 ] - [ 0.0095376300000000, -0.0036677800000000, 0.0005459600000000 ] - [ 0.0100484400000000, -0.0037619000000000, 0.0005917300000000 ] - [ 0.0100734800000000, 0.0027450500000000, 0.0007003000000000 ] - [ 0.0107108700000000, 0.0044922500000000, 0.0006200000000000 ] - [ 0.0106717000000000, 0.0060502000000000, 0.0003698400000000 ] - [ 0.0102590700000000, 0.0029356100000000, 0.0006811700000000 ] - [ 0.0096422400000000, 0.0035558000000000, 0.0004810300000000 ] - [ 0.0099330300000000, 0.0039630100000000, 0.0004703800000000 ] - [ 0.0098273200000000, 0.0037011400000000, 0.0005374500000000 ] - [ 0.0099897900000000, 0.0036063600000000, 0.0004937900000000 ] - [ 0.0005010900000000, -0.0062811600000000, -0.0016613400000000 ] - [ -0.0009943600000000, -0.0081355700000000, -0.0014700800000000 ] - [ 0.0014960100000000, -0.0158849500000000, 0.0021994800000000 ] - [ -0.0006547500000000, -0.0076434000000000, -0.0014017000000000 ] - [ 0.0004239400000000, -0.0081394700000000, -0.0013195200000000 ] - [ -0.0003301900000000, -0.0080705200000000, -0.0010845100000000 ] - [ 0.0002337700000000, -0.0076817100000000, -0.0018651900000000 ] - [ -0.0002660200000000, -0.0078771400000000, -0.0010566400000000 ] - [ 0.0019370500000000, 0.0070556400000000, 0.0074910600000000 ] - [ -0.0006213400000000, 0.0079929600000000, -0.0016550800000000 ] - [ 0.0002410900000000, 0.0080046700000000, -0.0013466700000000 ] - [ -0.0002462600000000, 0.0081108100000000, -0.0013717300000000 ] - [ 0.0005905400000000, 0.0077050500000000, -0.0030924700000000 ] - [ -0.0008694400000000, 0.0078032200000000, -0.0011086100000000 ] - [ 0.0003541100000000, 0.0078076300000000, -0.0011856800000000 ] - [ -0.0003513500000000, 0.0080988900000000, -0.0011028000000000 ] - [ 0.0003465400000000, 0.0010466100000000, -0.0074405600000000 ] - [ -0.0003603200000000, 0.0005920400000000, -0.0046206800000000 ] - [ 0.0000883600000000, 0.0005733300000000, -0.0047985600000000 ] - [ -0.0000843700000000, 0.0005143700000000, -0.0047251100000000 ] - [ 0.0004572200000000, 0.0008916700000000, -0.0042293000000000 ] - [ -0.0003214500000000, 0.0006409100000000, -0.0047896800000000 ] - [ 0.0000864300000000, 0.0006701300000000, -0.0047041500000000 ] - [ -0.0000849100000000, 0.0005152400000000, -0.0047679900000000 ] - [ 0.0005719700000000, -0.0006529100000000, -0.0045298000000000 ] - [ -0.0003416200000000, -0.0005130600000000, -0.0046868200000000 ] - [ 0.0001467600000000, 0.0020812100000000, -0.0057384900000000 ] - [ -0.0003945300000000, -0.0006403600000000, -0.0046586200000000 ] - [ 0.0000414100000000, -0.0006112000000000, -0.0047928100000000 ] - [ -0.0000785000000000, -0.0005925500000000, -0.0048061100000000 ] - [ 0.0000863800000000, -0.0005131400000000, -0.0043710000000000 ] - [ -0.0000896400000000, -0.0006322500000000, -0.0048113700000000 ] - [ 0.0605475300000000, -0.0023168400000000, -0.0043116200000000 ] - [ -0.0034900900000000, -0.0022258900000000, -0.0010834100000000 ] - [ -0.0023786600000000, -0.0022770600000000, -0.0010010000000000 ] - [ -0.0029406200000000, -0.0020678800000000, -0.0011788800000000 ] - [ -0.0023345500000000, -0.0021194600000000, -0.0010816300000000 ] - [ -0.0028872500000000, -0.0021543200000000, -0.0012363700000000 ] - [ -0.0022921000000000, -0.0021142500000000, -0.0011879200000000 ] - [ -0.0026943100000000, -0.0021077200000000, -0.0012056100000000 ] - [ -0.0025308000000000, 0.0025177200000000, -0.0016597500000000 ] - [ -0.0025040900000000, 0.0014067300000000, -0.0008284100000000 ] - [ -0.0027699700000000, 0.0018837100000000, -0.0018451400000000 ] - [ -0.0029105200000000, 0.0026133700000000, -0.0008875900000000 ] - [ -0.0025040900000000, 0.0025499200000000, -0.0009946100000000 ] - [ -0.0025306600000000, 0.0015563900000000, -0.0012723600000000 ] - [ -0.0029103000000000, 0.0020511500000000, -0.0009898600000000 ] - [ -0.0027699800000000, 0.0023256700000000, -0.0012154300000000 ] - [ -0.0025444100000000, -0.0001213000000000, -0.0001638500000000 ] - [ -0.0023273100000000, -0.0035058600000000, -0.0028364600000000 ] - [ 0.0026256100000000, -0.0029954200000000, -0.0008939900000000 ] - [ 0.0027743600000000, -0.0016191800000000, -0.0012014100000000 ] - [ 0.0027235000000000, -0.0022533600000000, -0.0015722000000000 ] - [ 0.0025015900000000, -0.0020411100000000, -0.0004453700000000 ] - [ 0.0024906100000000, -0.0022375600000000, -0.0012793500000000 ] - [ 0.0024971300000000, -0.0019812700000000, -0.0011368400000000 ] - [ 0.0029214400000000, 0.0017447100000000, -0.0018833100000000 ] - [ 0.0021602300000000, 0.0021582200000000, -0.0011557800000000 ] - [ 0.0035732200000000, 0.0023208200000000, -0.0014973800000000 ] - [ 0.0020623500000000, 0.0021351300000000, -0.0011415600000000 ] - [ 0.0029201900000000, 0.0013415300000000, -0.0012152500000000 ] - [ 0.0021599000000000, 0.0021410900000000, -0.0011545600000000 ] - [ 0.0035731000000000, 0.0022425700000000, -0.0010721900000000 ] - [ 0.0020631000000000, 0.0021273900000000, -0.0011497500000000 ]- atom: 97 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0003960600000000, -0.0118010000000000, -0.0001141000000000 ] - [ 0.0002041200000000, -0.0115319000000000, 0.0002558600000000 ] - [ 0.0000676100000000, -0.0115280000000000, 0.0005747800000000 ] - [ -0.0000757500000000, -0.0115375600000000, 0.0003124800000000 ] - [ -0.0008197500000000, -0.0118515800000000, 0.0011382000000000 ] - [ 0.0001502400000000, -0.0115020500000000, 0.0003539500000000 ] - [ -0.0000483700000000, -0.0117665900000000, -0.0001481500000000 ] - [ -0.0000424400000000, -0.0115871300000000, 0.0002083100000000 ] - [ 0.0169338700000000, 0.0232045600000000, 0.0080325100000000 ] - [ 0.0005392800000000, 0.0114795200000000, 0.0004380100000000 ] - [ 0.0014071900000000, 0.0088316100000000, 0.0000197300000000 ] - [ -0.0000328100000000, 0.0114198800000000, 0.0002923500000000 ] - [ 0.0001441700000000, 0.0116837300000000, 0.0000638400000000 ] - [ 0.0000228200000000, 0.0114596500000000, 0.0002015100000000 ] - [ -0.0000050300000000, 0.0112034000000000, 0.0003731400000000 ] - [ -0.0000409400000000, 0.0114780800000000, 0.0003059100000000 ] - [ 0.0009414800000000, 0.0037633700000000, 0.0053802600000000 ] - [ -0.0000837000000000, 0.0040847700000000, 0.0068979600000000 ] - [ -0.0002140300000000, 0.0034476100000000, 0.0078813600000000 ] - [ 0.0000334400000000, 0.0039679500000000, 0.0070399900000000 ] - [ 0.0004450300000000, 0.0039744100000000, 0.0083250700000000 ] - [ -0.0001043600000000, 0.0041354800000000, 0.0069943500000000 ] - [ -0.0000035600000000, 0.0039971100000000, 0.0064607200000000 ] - [ 0.0000170400000000, 0.0039769700000000, 0.0069047100000000 ] - [ -0.0160867100000000, 0.0029757800000000, 0.0141876200000000 ] - [ -0.0009039300000000, -0.0038257900000000, 0.0068630200000000 ] - [ -0.0004551100000000, -0.0050565500000000, 0.0070055000000000 ] - [ 0.0001544400000000, -0.0042522700000000, 0.0069239100000000 ] - [ -0.0003039600000000, -0.0039995200000000, 0.0067844000000000 ] - [ -0.0000210000000000, -0.0040278200000000, 0.0069950100000000 ] - [ -0.0000105900000000, -0.0042691700000000, 0.0068342500000000 ] - [ 0.0000489600000000, -0.0041092800000000, 0.0069123600000000 ] - [ -0.0087559500000000, 0.0394241100000000, -0.0107173000000000 ] - [ -0.0099210500000000, 0.0038439800000000, 0.0005257300000000 ] - [ -0.0094880200000000, 0.0022600300000000, 0.0005015900000000 ] - [ -0.0096832600000000, 0.0034780700000000, 0.0005248400000000 ] - [ -0.0100410500000000, 0.0041841700000000, 0.0008296100000000 ] - [ -0.0098303400000000, 0.0037887800000000, 0.0005042700000000 ] - [ -0.0097078300000000, 0.0034479700000000, 0.0005335200000000 ] - [ -0.0097579900000000, 0.0035843500000000, 0.0005120500000000 ] - [ -0.0100363100000000, -0.0031730400000000, 0.0009201300000000 ] - [ -0.0096941300000000, -0.0032708500000000, 0.0007990700000000 ] - [ -0.0097204600000000, -0.0040637300000000, 0.0004477400000000 ] - [ -0.0099571700000000, -0.0040125400000000, 0.0005185200000000 ] - [ -0.0098879700000000, -0.0032470500000000, 0.0000892900000000 ] - [ -0.0092495100000000, -0.0031064000000000, -0.0007399800000000 ] - [ -0.0097288300000000, -0.0039230500000000, 0.0005205500000000 ] - [ -0.0100567500000000, -0.0040534400000000, 0.0006421900000000 ] - [ 0.0086496200000000, -0.0021118600000000, 0.0010972400000000 ] - [ 0.0097332100000000, -0.0035336000000000, 0.0005758100000000 ] - [ 0.0098797400000000, -0.0042162900000000, 0.0004865800000000 ] - [ 0.0098667400000000, -0.0038099900000000, 0.0005276700000000 ] - [ 0.0092665600000000, -0.0026086500000000, 0.0005638000000000 ] - [ 0.0096629700000000, -0.0035391900000000, 0.0003961700000000 ] - [ 0.0099248200000000, -0.0041419900000000, 0.0005728200000000 ] - [ 0.0098677700000000, -0.0037983100000000, 0.0005285100000000 ] - [ 0.0116069200000000, 0.0044835100000000, 0.0006092300000000 ] - [ 0.0096257300000000, 0.0039841300000000, 0.0004118600000000 ] - [ 0.0093735200000000, 0.0023701400000000, 0.0005085500000000 ] - [ 0.0096975800000000, 0.0033459400000000, 0.0005338400000000 ] - [ 0.0100616700000000, 0.0040151600000000, 0.0005921300000000 ] - [ 0.0096844500000000, 0.0039336700000000, 0.0003940000000000 ] - [ 0.0096570400000000, 0.0035032300000000, 0.0005179000000000 ] - [ 0.0098149400000000, 0.0035220800000000, 0.0005624600000000 ] - [ -0.0081355300000000, -0.0038948700000000, 0.0020360900000000 ] - [ 0.0002102300000000, -0.0076461000000000, -0.0010442400000000 ] - [ 0.0013360700000000, -0.0031448500000000, -0.0019352100000000 ] - [ -0.0000590500000000, -0.0078354700000000, -0.0013390700000000 ] - [ 0.0003310900000000, -0.0081944300000000, -0.0020966400000000 ] - [ 0.0000549900000000, -0.0080115500000000, -0.0012345700000000 ] - [ 0.0000071500000000, -0.0082259800000000, -0.0007470300000000 ] - [ -0.0000088300000000, -0.0079982500000000, -0.0010922100000000 ] - [ 0.0011634200000000, 0.0080967200000000, 0.0027882400000000 ] - [ 0.0001062600000000, 0.0080810400000000, -0.0007371200000000 ] - [ 0.0000771900000000, 0.0086703800000000, -0.0016785500000000 ] - [ -0.0000754100000000, 0.0080790800000000, -0.0012442600000000 ] - [ 0.0007832400000000, 0.0075842200000000, -0.0021258200000000 ] - [ 0.0001019600000000, 0.0081032200000000, -0.0011699000000000 ] - [ -0.0000403800000000, 0.0087921400000000, -0.0011771100000000 ] - [ -0.0000700800000000, 0.0081191600000000, -0.0011741800000000 ] - [ -0.0001239700000000, 0.0001910400000000, -0.0031034600000000 ] - [ -0.0001079100000000, 0.0006140900000000, -0.0046591100000000 ] - [ -0.0000476600000000, 0.0008392000000000, -0.0049869400000000 ] - [ 0.0000406500000000, 0.0005622500000000, -0.0047511800000000 ] - [ -0.0000085000000000, 0.0004267800000000, -0.0051822000000000 ] - [ 0.0000008500000000, 0.0005586700000000, -0.0047719100000000 ] - [ 0.0000104300000000, 0.0009580700000000, -0.0046526200000000 ] - [ 0.0000198300000000, 0.0005822800000000, -0.0047464000000000 ] - [ 0.0025330400000000, 0.0009069300000000, -0.0040904400000000 ] - [ -0.0002607200000000, -0.0003689500000000, -0.0046501000000000 ] - [ -0.0004938100000000, 0.0005554700000000, -0.0051962000000000 ] - [ 0.0001078300000000, -0.0005019600000000, -0.0048571500000000 ] - [ -0.0000407400000000, -0.0006808200000000, -0.0049936200000000 ] - [ -0.0000494500000000, -0.0005612200000000, -0.0047714800000000 ] - [ -0.0000144200000000, -0.0005776100000000, -0.0046466200000000 ] - [ 0.0000084200000000, -0.0005556100000000, -0.0047334900000000 ] - [ -0.0033074800000000, -0.0611613400000000, -0.0050867000000000 ] - [ -0.0023999100000000, -0.0027248600000000, -0.0014260800000000 ] - [ -0.0023478100000000, -0.0004793800000000, -0.0011133000000000 ] - [ -0.0025601700000000, -0.0018559600000000, -0.0011700900000000 ] - [ -0.0025084400000000, -0.0021770700000000, -0.0011854300000000 ] - [ -0.0024731600000000, -0.0022704900000000, -0.0010719500000000 ] - [ -0.0025125300000000, -0.0018066700000000, -0.0012405800000000 ] - [ -0.0025195500000000, -0.0019898200000000, -0.0011783800000000 ] - [ -0.0030694200000000, 0.0015877300000000, -0.0015838600000000 ] - [ -0.0020750300000000, 0.0013784900000000, -0.0013594400000000 ] - [ -0.0023013100000000, 0.0025539500000000, -0.0009188700000000 ] - [ -0.0025753700000000, 0.0025618800000000, -0.0010147800000000 ] - [ -0.0032205500000000, 0.0013799300000000, -0.0009941300000000 ] - [ -0.0021098100000000, 0.0015892800000000, -0.0010440800000000 ] - [ -0.0020119000000000, 0.0025632400000000, -0.0013082500000000 ] - [ -0.0027438200000000, 0.0025549500000000, -0.0012075400000000 ] - [ 0.0044989000000000, -0.0052910700000000, -0.0022789700000000 ] - [ 0.0011178400000000, -0.0039374800000000, -0.0025499300000000 ] - [ 0.0016313800000000, -0.0011468000000000, -0.0009918800000000 ] - [ 0.0030082900000000, -0.0015818500000000, -0.0010356400000000 ] - [ 0.0023741500000000, -0.0023673500000000, -0.0009324400000000 ] - [ 0.0025866500000000, -0.0022194600000000, -0.0006872300000000 ] - [ 0.0023892600000000, -0.0018500300000000, -0.0012062800000000 ] - [ 0.0026457200000000, -0.0019189500000000, -0.0012646800000000 ] - [ 0.0032898900000000, 0.0011040200000000, -0.0074314900000000 ] - [ 0.0024852900000000, 0.0018702200000000, -0.0012308100000000 ] - [ 0.0023840300000000, 0.0027426900000000, -0.0006341900000000 ] - [ 0.0024995300000000, 0.0023250400000000, -0.0011080100000000 ] - [ 0.0028843300000000, 0.0011075800000000, 0.0007558900000000 ] - [ 0.0024687900000000, 0.0018705400000000, -0.0011385600000000 ] - [ 0.0023064400000000, 0.0027436900000000, -0.0013931000000000 ] - [ 0.0024913700000000, 0.0023253100000000, -0.0011939700000000 ]- atom: 97 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0003954500000000, -0.0111987600000000, 0.0007050600000000 ] - [ -0.0002043000000000, -0.0114837400000000, 0.0003246400000000 ] - [ -0.0000675700000000, -0.0114834100000000, 0.0000051400000000 ] - [ 0.0000776100000000, -0.0114664400000000, 0.0002701900000000 ] - [ 0.0008182500000000, -0.0111592600000000, -0.0005605700000000 ] - [ -0.0001506700000000, -0.0115048800000000, 0.0002304000000000 ] - [ 0.0000537300000000, -0.0112389700000000, 0.0007359600000000 ] - [ 0.0000417200000000, -0.0114177800000000, 0.0003732600000000 ] - [ -0.0165385600000000, -0.0000829200000000, -0.0073046600000000 ] - [ -0.0005429900000000, 0.0115386000000000, 0.0001452000000000 ] - [ -0.0014015800000000, 0.0141625000000000, 0.0005629700000000 ] - [ 0.0000373300000000, 0.0115860900000000, 0.0002911100000000 ] - [ -0.0001459000000000, 0.0113327200000000, 0.0005155000000000 ] - [ -0.0000234700000000, 0.0115515300000000, 0.0003795400000000 ] - [ 0.0000057700000000, 0.0118061500000000, 0.0002094900000000 ] - [ 0.0000406600000000, 0.0115282300000000, 0.0002741600000000 ] - [ -0.0009462200000000, 0.0043261100000000, 0.0085383900000000 ] - [ 0.0000858200000000, 0.0039983200000000, 0.0070151100000000 ] - [ 0.0002100300000000, 0.0046363200000000, 0.0060305200000000 ] - [ -0.0000322800000000, 0.0041217600000000, 0.0068749400000000 ] - [ -0.0004442000000000, 0.0041121800000000, 0.0055834300000000 ] - [ 0.0001037500000000, 0.0039461300000000, 0.0069211600000000 ] - [ 0.0000042700000000, 0.0040868200000000, 0.0074567900000000 ] - [ -0.0000216700000000, 0.0041080800000000, 0.0070033900000000 ] - [ 0.0158902600000000, -0.0111414600000000, -0.0001983000000000 ] - [ 0.0009019300000000, -0.0042579900000000, 0.0070499300000000 ] - [ 0.0004548200000000, -0.0030318500000000, 0.0069087800000000 ] - [ -0.0001535200000000, -0.0038330700000000, 0.0069896800000000 ] - [ 0.0003041300000000, -0.0040829400000000, 0.0071355400000000 ] - [ 0.0000200800000000, -0.0040567700000000, 0.0069128700000000 ] - [ 0.0000091800000000, -0.0038165600000000, 0.0070745800000000 ] - [ -0.0000476000000000, -0.0039784000000000, 0.0069990700000000 ] - [ -0.0107099400000000, -0.0338500500000000, 0.0124131100000000 ] - [ -0.0096543500000000, 0.0035078600000000, 0.0005076500000000 ] - [ -0.0100887800000000, 0.0050942700000000, 0.0005291700000000 ] - [ -0.0098889500000000, 0.0038739400000000, 0.0005048200000000 ] - [ -0.0095353100000000, 0.0031705100000000, 0.0001974300000000 ] - [ -0.0097432600000000, 0.0035604200000000, 0.0005226600000000 ] - [ -0.0098634800000000, 0.0038983800000000, 0.0004953500000000 ] - [ -0.0098198000000000, 0.0037683500000000, 0.0005174200000000 ] - [ -0.0095401800000000, -0.0041804100000000, 0.0001073900000000 ] - [ -0.0098797000000000, -0.0040804500000000, 0.0002265800000000 ] - [ -0.0098487500000000, -0.0032868100000000, 0.0005803900000000 ] - [ -0.0096213900000000, -0.0033424900000000, 0.0005143500000000 ] - [ -0.0096896200000000, -0.0041047500000000, 0.0009383200000000 ] - [ -0.0103275400000000, -0.0042506300000000, 0.0017667500000000 ] - [ -0.0098449600000000, -0.0034293500000000, 0.0005072100000000 ] - [ -0.0095177600000000, -0.0032962500000000, 0.0003833500000000 ] - [ 0.0109267300000000, -0.0051942000000000, 0.0001506900000000 ] - [ 0.0098440900000000, -0.0038172600000000, 0.0004528900000000 ] - [ 0.0096967700000000, -0.0031359400000000, 0.0005451700000000 ] - [ 0.0097047300000000, -0.0035413000000000, 0.0004992100000000 ] - [ 0.0103157100000000, -0.0047451300000000, 0.0004676700000000 ] - [ 0.0099138800000000, -0.0038106700000000, 0.0006338800000000 ] - [ 0.0096472400000000, -0.0032069400000000, 0.0004505800000000 ] - [ 0.0097087800000000, -0.0035516700000000, 0.0005005700000000 ] - [ 0.0079612100000000, 0.0028636100000000, 0.0004221600000000 ] - [ 0.0099563100000000, 0.0033624800000000, 0.0006205500000000 ] - [ 0.0102058000000000, 0.0049905200000000, 0.0005218300000000 ] - [ 0.0098762200000000, 0.0040068700000000, 0.0004899800000000 ] - [ 0.0095131100000000, 0.0033338800000000, 0.0004357200000000 ] - [ 0.0098871200000000, 0.0034117100000000, 0.0006320300000000 ] - [ 0.0099143600000000, 0.0038440300000000, 0.0005093900000000 ] - [ 0.0097644200000000, 0.0038274700000000, 0.0004715800000000 ] - [ 0.0081432100000000, -0.0121738200000000, -0.0044003000000000 ] - [ -0.0002157900000000, -0.0083763000000000, -0.0013169000000000 ] - [ -0.0012915800000000, -0.0128812800000000, -0.0004141800000000 ] - [ 0.0000603400000000, -0.0082063200000000, -0.0010307000000000 ] - [ -0.0003266000000000, -0.0078386000000000, -0.0002623100000000 ] - [ -0.0000605400000000, -0.0080123200000000, -0.0011262200000000 ] - [ -0.0000017800000000, -0.0077957800000000, -0.0016209500000000 ] - [ 0.0000163200000000, -0.0080285300000000, -0.0012668800000000 ] - [ -0.0011660000000000, 0.0079576600000000, -0.0051595300000000 ] - [ -0.0000991200000000, 0.0079583600000000, -0.0016295400000000 ] - [ -0.0000751700000000, 0.0073642200000000, -0.0006821600000000 ] - [ 0.0000756000000000, 0.0079651000000000, -0.0011274000000000 ] - [ -0.0007839700000000, 0.0084333100000000, -0.0002296400000000 ] - [ -0.0000934600000000, 0.0079276400000000, -0.0011842000000000 ] - [ 0.0000475400000000, 0.0072446900000000, -0.0011867300000000 ] - [ 0.0000662600000000, 0.0079229000000000, -0.0012015300000000 ] - [ 0.0001221900000000, 0.0009531500000000, -0.0064177600000000 ] - [ 0.0001048000000000, 0.0005334300000000, -0.0048608500000000 ] - [ 0.0000422500000000, 0.0003051200000000, -0.0045299600000000 ] - [ -0.0000418100000000, 0.0005852500000000, -0.0047674800000000 ] - [ 0.0000055100000000, 0.0007187700000000, -0.0043347900000000 ] - [ -0.0000065100000000, 0.0005831500000000, -0.0047438700000000 ] - [ -0.0000162600000000, 0.0001897600000000, -0.0048647500000000 ] - [ -0.0000233300000000, 0.0005656500000000, -0.0047699300000000 ] - [ -0.0025451100000000, -0.0020657000000000, -0.0054304500000000 ] - [ 0.0002592000000000, -0.0007818700000000, -0.0048676600000000 ] - [ 0.0004873400000000, -0.0017136300000000, -0.0043208400000000 ] - [ -0.0001144700000000, -0.0006525300000000, -0.0046617100000000 ] - [ 0.0000339900000000, -0.0004724700000000, -0.0045242100000000 ] - [ 0.0000475400000000, -0.0005906500000000, -0.0047463500000000 ] - [ 0.0000078000000000, -0.0005743000000000, -0.0048763000000000 ] - [ -0.0000124200000000, -0.0005983100000000, -0.0047846200000000 ] - [ -0.0020192200000000, 0.0586439600000000, 0.0016655100000000 ] - [ -0.0026002400000000, -0.0015370700000000, -0.0009121600000000 ] - [ -0.0026523900000000, -0.0037768400000000, -0.0012291700000000 ] - [ -0.0024466400000000, -0.0023953700000000, -0.0011643200000000 ] - [ -0.0024954400000000, -0.0020826600000000, -0.0011472600000000 ] - [ -0.0025346700000000, -0.0019926800000000, -0.0012630000000000 ] - [ -0.0024937600000000, -0.0024478300000000, -0.0010976600000000 ] - [ -0.0024860100000000, -0.0022685800000000, -0.0011510300000000 ] - [ -0.0019334300000000, 0.0026735700000000, -0.0007496800000000 ] - [ -0.0029262100000000, 0.0028830600000000, -0.0009681800000000 ] - [ -0.0026956700000000, 0.0017086600000000, -0.0014137100000000 ] - [ -0.0024204300000000, 0.0016907400000000, -0.0013117300000000 ] - [ -0.0017852200000000, 0.0028776200000000, -0.0013342100000000 ] - [ -0.0028943900000000, 0.0026715100000000, -0.0012926000000000 ] - [ -0.0029942200000000, 0.0016911600000000, -0.0010222200000000 ] - [ -0.0022632400000000, 0.0017078700000000, -0.0011336600000000 ] - [ 0.0004983500000000, 0.0010348600000000, -0.0000641500000000 ] - [ 0.0038946000000000, -0.0003071000000000, 0.0002090700000000 ] - [ 0.0033757100000000, -0.0031102100000000, -0.0013435300000000 ] - [ 0.0019884800000000, -0.0026761000000000, -0.0013079100000000 ] - [ 0.0026336200000000, -0.0018877600000000, -0.0014094200000000 ] - [ 0.0024188300000000, -0.0020448200000000, -0.0016560000000000 ] - [ 0.0026145800000000, -0.0024051100000000, -0.0011370900000000 ] - [ 0.0023620300000000, -0.0023427100000000, -0.0010743400000000 ] - [ 0.0017107700000000, 0.0031404600000000, 0.0051101700000000 ] - [ 0.0025189600000000, 0.0023894200000000, -0.0011139100000000 ] - [ 0.0026056900000000, 0.0015164700000000, -0.0016982200000000 ] - [ 0.0025040800000000, 0.0019247400000000, -0.0012252500000000 ] - [ 0.0021238600000000, 0.0031356100000000, -0.0031058000000000 ] - [ 0.0025343700000000, 0.0023927200000000, -0.0011996000000000 ] - [ 0.0027058600000000, 0.0015186100000000, -0.0009421400000000 ] - [ 0.0025084400000000, 0.0019317000000000, -0.0011452800000000 ]- atom: 97 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0002508300000000, -0.0126570700000000, 0.0002799200000000 ] - [ 0.0000978100000000, -0.0115424900000000, 0.0003145700000000 ] - [ -0.0009948700000000, -0.0099214300000000, 0.0002493200000000 ] - [ 0.0000793200000000, -0.0113919100000000, 0.0003058000000000 ] - [ 0.0000404600000000, -0.0113319900000000, 0.0001234800000000 ] - [ -0.0000320400000000, -0.0114784100000000, 0.0002225800000000 ] - [ 0.0001276700000000, -0.0118852000000000, -0.0002234600000000 ] - [ -0.0000353900000000, -0.0115301800000000, 0.0002109100000000 ] - [ 0.0124256300000000, 0.0181469200000000, 0.0052214200000000 ] - [ 0.0007819800000000, 0.0114175600000000, 0.0005530500000000 ] - [ -0.0006451100000000, 0.0122448800000000, 0.0006050000000000 ] - [ 0.0000954700000000, 0.0115226000000000, 0.0004126200000000 ] - [ 0.0003772900000000, 0.0119449300000000, -0.0005839800000000 ] - [ -0.0002261600000000, 0.0115381800000000, 0.0001252600000000 ] - [ 0.0001406400000000, 0.0113694400000000, 0.0001783900000000 ] - [ -0.0000628200000000, 0.0114852800000000, 0.0002205700000000 ] - [ 0.0004453300000000, 0.0031247600000000, 0.0079210800000000 ] - [ -0.0001437100000000, 0.0039592800000000, 0.0071936700000000 ] - [ 0.0006604800000000, 0.0042718100000000, 0.0077531500000000 ] - [ -0.0002093100000000, 0.0040734600000000, 0.0072017500000000 ] - [ 0.0000416200000000, 0.0041751200000000, 0.0062943000000000 ] - [ 0.0000266800000000, 0.0040913600000000, 0.0067640600000000 ] - [ -0.0000726200000000, 0.0042061500000000, 0.0064705100000000 ] - [ 0.0000257200000000, 0.0040645200000000, 0.0067202700000000 ] - [ -0.0143042000000000, 0.0042389800000000, 0.0150040700000000 ] - [ -0.0003643200000000, -0.0039698700000000, 0.0069534100000000 ] - [ 0.0002780100000000, -0.0037690800000000, 0.0069428900000000 ] - [ -0.0001764800000000, -0.0040936700000000, 0.0069235700000000 ] - [ -0.0015036500000000, -0.0036464200000000, 0.0041891300000000 ] - [ 0.0000681700000000, -0.0040560400000000, 0.0068530400000000 ] - [ -0.0000410400000000, -0.0041183600000000, 0.0068089500000000 ] - [ 0.0000281500000000, -0.0040533900000000, 0.0069251400000000 ] - [ -0.0113032100000000, -0.0076223600000000, 0.0049739600000000 ] - [ -0.0097754100000000, 0.0037271400000000, 0.0006210700000000 ] - [ -0.0097753000000000, 0.0030806200000000, 0.0008698500000000 ] - [ -0.0097437700000000, 0.0036189400000000, 0.0006204600000000 ] - [ -0.0091574400000000, 0.0029463500000000, -0.0010755600000000 ] - [ -0.0098254900000000, 0.0036643800000000, 0.0004475500000000 ] - [ -0.0097325100000000, 0.0038527900000000, 0.0002978700000000 ] - [ -0.0098403900000000, 0.0037178300000000, 0.0004539100000000 ] - [ -0.0094636200000000, -0.0032567100000000, 0.0007363700000000 ] - [ -0.0116602700000000, -0.0036786800000000, 0.0010846100000000 ] - [ -0.0096586400000000, -0.0036617300000000, 0.0006639100000000 ] - [ -0.0100918100000000, -0.0037575100000000, 0.0006534800000000 ] - [ -0.0097636700000000, -0.0037816900000000, 0.0002983200000000 ] - [ -0.0093872900000000, -0.0036212000000000, -0.0002579200000000 ] - [ -0.0098021300000000, -0.0037062200000000, 0.0003660000000000 ] - [ -0.0096994500000000, -0.0036710700000000, 0.0003526800000000 ] - [ 0.0089038600000000, -0.0038375000000000, 0.0403068000000000 ] - [ 0.0098940000000000, -0.0036527300000000, 0.0006414500000000 ] - [ 0.0099329900000000, -0.0036935100000000, 0.0006863000000000 ] - [ 0.0098154400000000, -0.0036697400000000, 0.0005830000000000 ] - [ 0.0096016000000000, -0.0036274300000000, -0.0013061700000000 ] - [ 0.0097169200000000, -0.0036755400000000, 0.0003622700000000 ] - [ 0.0097417100000000, -0.0036985000000000, 0.0003373400000000 ] - [ 0.0097528800000000, -0.0036775000000000, 0.0004347600000000 ] - [ 0.0092374800000000, 0.0039080000000000, 0.0007818000000000 ] - [ 0.0102253800000000, 0.0040861900000000, 0.0008683400000000 ] - [ 0.0093751700000000, 0.0027279400000000, 0.0006997800000000 ] - [ 0.0100600700000000, 0.0032495700000000, 0.0007570000000000 ] - [ 0.0099547800000000, 0.0036200300000000, 0.0003944300000000 ] - [ 0.0095865200000000, 0.0035452800000000, 0.0002744000000000 ] - [ 0.0098770700000000, 0.0038223600000000, 0.0004201400000000 ] - [ 0.0096312000000000, 0.0038049100000000, 0.0002789900000000 ] - [ 0.0030519500000000, -0.0084716300000000, -0.0035519400000000 ] - [ -0.0003056400000000, -0.0081623200000000, -0.0017317000000000 ] - [ -0.0011042500000000, -0.0053635800000000, -0.0033275500000000 ] - [ -0.0001712000000000, -0.0077886700000000, -0.0017854400000000 ] - [ -0.0009246400000000, -0.0076236100000000, -0.0005688400000000 ] - [ 0.0001958500000000, -0.0079363700000000, -0.0008868100000000 ] - [ -0.0000206800000000, -0.0087641500000000, -0.0006016800000000 ] - [ 0.0001585200000000, -0.0081059200000000, -0.0008664600000000 ] - [ -0.0016968400000000, 0.0089777600000000, 0.0022653100000000 ] - [ 0.0000796900000000, 0.0081050800000000, -0.0009998700000000 ] - [ 0.0000015100000000, 0.0079268000000000, -0.0010256800000000 ] - [ 0.0000349600000000, 0.0080236800000000, -0.0010526800000000 ] - [ 0.0086739400000000, 0.0031989400000000, 0.0016108200000000 ] - [ -0.0003144800000000, 0.0076445900000000, -0.0008621700000000 ] - [ -0.0001643400000000, 0.0086640200000000, -0.0007222800000000 ] - [ -0.0000544900000000, 0.0080460800000000, -0.0010725900000000 ] - [ 0.0007067000000000, 0.0009367700000000, -0.0037386300000000 ] - [ -0.0000878900000000, 0.0006292000000000, -0.0046530300000000 ] - [ 0.0000079100000000, 0.0005521800000000, -0.0046551600000000 ] - [ -0.0000172900000000, 0.0005746000000000, -0.0047361000000000 ] - [ -0.0027609400000000, -0.0009648100000000, -0.0036862000000000 ] - [ 0.0002906900000000, 0.0003286400000000, -0.0046622600000000 ] - [ -0.0000459500000000, 0.0007435300000000, -0.0046919200000000 ] - [ 0.0000635000000000, 0.0005503500000000, -0.0047374200000000 ] - [ -0.0008281300000000, -0.0009762800000000, -0.0053844800000000 ] - [ 0.0001056200000000, -0.0006472100000000, -0.0049030300000000 ] - [ -0.0000875600000000, 0.0005537400000000, -0.0057085200000000 ] - [ 0.0001052500000000, -0.0005711700000000, -0.0049226200000000 ] - [ 0.0002007300000000, -0.0004277500000000, -0.0045270400000000 ] - [ -0.0000401000000000, -0.0005247700000000, -0.0046817300000000 ] - [ -0.0000356900000000, -0.0009345200000000, -0.0043728700000000 ] - [ -0.0000202500000000, -0.0005652600000000, -0.0046721200000000 ] - [ 0.0001398900000000, -0.0055562600000000, -0.0617445500000000 ] - [ -0.0025793500000000, -0.0023878600000000, -0.0016461200000000 ] - [ -0.0026631500000000, -0.0020749200000000, -0.0017162400000000 ] - [ -0.0024848100000000, -0.0021315500000000, -0.0013959200000000 ] - [ -0.0025831800000000, -0.0021480200000000, 0.0014132100000000 ] - [ -0.0024269300000000, -0.0020334500000000, -0.0009266300000000 ] - [ -0.0024756200000000, -0.0022022800000000, -0.0008898100000000 ] - [ -0.0024577600000000, -0.0021400500000000, -0.0010339800000000 ] - [ -0.0023917100000000, 0.0020052900000000, -0.0009586600000000 ] - [ -0.0026696800000000, 0.0019561500000000, -0.0009843100000000 ] - [ -0.0024474600000000, 0.0021686100000000, -0.0009195400000000 ] - [ -0.0026730400000000, 0.0022688600000000, -0.0010166400000000 ] - [ -0.0028327400000000, 0.0023220700000000, -0.0009845900000000 ] - [ -0.0020022600000000, 0.0025458500000000, -0.0009585500000000 ] - [ -0.0027750000000000, 0.0019777600000000, -0.0010169000000000 ] - [ -0.0018203900000000, 0.0018802900000000, -0.0009194800000000 ] - [ 0.0034939300000000, -0.0032361000000000, -0.0024959100000000 ] - [ 0.0008268600000000, -0.0035115200000000, -0.0035980300000000 ] - [ 0.0027704200000000, -0.0019538200000000, -0.0017279800000000 ] - [ 0.0024645300000000, -0.0019952400000000, -0.0016664000000000 ] - [ 0.0020940700000000, -0.0018935200000000, -0.0007451000000000 ] - [ 0.0032229700000000, -0.0016462500000000, -0.0004007400000000 ] - [ 0.0023862800000000, -0.0021658700000000, -0.0009499100000000 ] - [ 0.0025286500000000, -0.0022247700000000, -0.0009196600000000 ] - [ 0.0024489200000000, 0.0001830200000000, 0.0008660300000000 ] - [ 0.0025110400000000, 0.0020984500000000, -0.0011193700000000 ] - [ 0.0025929200000000, 0.0023518300000000, -0.0009457000000000 ] - [ 0.0025156300000000, 0.0021541000000000, -0.0011163600000000 ] - [ 0.0017852100000000, 0.0083916800000000, 0.0008507200000000 ] - [ 0.0025096200000000, 0.0021909700000000, -0.0011189500000000 ] - [ 0.0021670300000000, 0.0015975700000000, -0.0009456800000000 ] - [ 0.0025241300000000, 0.0020685600000000, -0.0011172000000000 ]- atom: 97 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0002522200000000, -0.0103180700000000, 0.0003068300000000 ] - [ -0.0000972100000000, -0.0114495200000000, 0.0002675900000000 ] - [ 0.0009990900000000, -0.0130668700000000, 0.0003393000000000 ] - [ -0.0000803600000000, -0.0115831300000000, 0.0002817700000000 ] - [ -0.0000403100000000, -0.0116598900000000, 0.0004617000000000 ] - [ 0.0000317000000000, -0.0114931500000000, 0.0003637000000000 ] - [ -0.0001248500000000, -0.0110828700000000, 0.0008137600000000 ] - [ 0.0000352900000000, -0.0114591700000000, 0.0003712500000000 ] - [ -0.0123801500000000, 0.0048601300000000, -0.0047355200000000 ] - [ -0.0007815900000000, 0.0115732400000000, 0.0000279600000000 ] - [ 0.0006485700000000, 0.0107447400000000, -0.0000237200000000 ] - [ -0.0000971300000000, 0.0114434400000000, 0.0001757300000000 ] - [ -0.0003762600000000, 0.0110460600000000, 0.0011638700000000 ] - [ 0.0002243400000000, 0.0114303200000000, 0.0004650600000000 ] - [ -0.0001400800000000, 0.0116095500000000, 0.0004071400000000 ] - [ 0.0000624100000000, 0.0115073600000000, 0.0003621100000000 ] - [ -0.0004486400000000, 0.0049743600000000, 0.0059833300000000 ] - [ 0.0001440200000000, 0.0041408200000000, 0.0066808800000000 ] - [ -0.0006592700000000, 0.0038235200000000, 0.0061450600000000 ] - [ 0.0002089200000000, 0.0040211900000000, 0.0067030200000000 ] - [ -0.0000403600000000, 0.0039247500000000, 0.0075965400000000 ] - [ -0.0000282600000000, 0.0040073600000000, 0.0071387800000000 ] - [ 0.0000728000000000, 0.0038915400000000, 0.0074363900000000 ] - [ -0.0000238700000000, 0.0040350100000000, 0.0071576900000000 ] - [ 0.0141145600000000, -0.0122349900000000, -0.0011364800000000 ] - [ 0.0003675000000000, -0.0041285100000000, 0.0069500900000000 ] - [ -0.0002789800000000, -0.0043280100000000, 0.0069652200000000 ] - [ 0.0001772800000000, -0.0040049600000000, 0.0069579800000000 ] - [ 0.0014952200000000, -0.0044485900000000, 0.0096909700000000 ] - [ -0.0000681600000000, -0.0040438400000000, 0.0070282400000000 ] - [ 0.0000414500000000, -0.0039796000000000, 0.0070778700000000 ] - [ -0.0000286800000000, -0.0040431700000000, 0.0069839800000000 ] - [ -0.0082783500000000, 0.0149624400000000, -0.0040137200000000 ] - [ -0.0098268000000000, 0.0036434100000000, 0.0004259500000000 ] - [ -0.0098117700000000, 0.0042794900000000, 0.0001694900000000 ] - [ -0.0098401900000000, 0.0037375600000000, 0.0004164900000000 ] - [ -0.0104337200000000, 0.0044160200000000, 0.0021123000000000 ] - [ -0.0097556400000000, 0.0036920500000000, 0.0005902400000000 ] - [ -0.0098492100000000, 0.0035052900000000, 0.0007396500000000 ] - [ -0.0097608200000000, 0.0036507000000000, 0.0005918600000000 ] - [ -0.0101369100000000, -0.0041108000000000, 0.0003068700000000 ] - [ -0.0079227500000000, -0.0036822000000000, -0.0000438800000000 ] - [ -0.0099262100000000, -0.0036955900000000, 0.0003702500000000 ] - [ -0.0095034500000000, -0.0036061800000000, 0.0003879400000000 ] - [ -0.0098192100000000, -0.0035800200000000, 0.0007403800000000 ] - [ -0.0102130800000000, -0.0037503100000000, 0.0013080100000000 ] - [ -0.0097975000000000, -0.0036630000000000, 0.0006785800000000 ] - [ -0.0098795600000000, -0.0036869600000000, 0.0006838700000000 ] - [ 0.0105313700000000, -0.0035101400000000, -0.0414019700000000 ] - [ 0.0097043000000000, -0.0037134000000000, 0.0004016200000000 ] - [ 0.0096622400000000, -0.0036696100000000, 0.0003529700000000 ] - [ 0.0097687100000000, -0.0036847800000000, 0.0004522100000000 ] - [ 0.0099984700000000, -0.0037389000000000, 0.0023461400000000 ] - [ 0.0098654600000000, -0.0036830300000000, 0.0006727100000000 ] - [ 0.0098392400000000, -0.0036579700000000, 0.0006985900000000 ] - [ 0.0098451800000000, -0.0036875800000000, 0.0006071700000000 ] - [ 0.0103461200000000, 0.0034465700000000, 0.0002544600000000 ] - [ 0.0093744900000000, 0.0032818700000000, 0.0001755900000000 ] - [ 0.0102133300000000, 0.0046309800000000, 0.0003361000000000 ] - [ 0.0095243200000000, 0.0041036900000000, 0.0002807500000000 ] - [ 0.0096371600000000, 0.0037428200000000, 0.0006469300000000 ] - [ 0.0099955700000000, 0.0038102100000000, 0.0007641500000000 ] - [ 0.0097053000000000, 0.0035330100000000, 0.0006169000000000 ] - [ 0.0099693800000000, 0.0035633000000000, 0.0007651500000000 ] - [ -0.0030509500000000, -0.0075686400000000, 0.0012179300000000 ] - [ 0.0003101900000000, -0.0078907400000000, -0.0006155600000000 ] - [ 0.0010997400000000, -0.0106884400000000, 0.0009903500000000 ] - [ 0.0001762000000000, -0.0082594100000000, -0.0005679900000000 ] - [ 0.0009269500000000, -0.0084261300000000, -0.0017811800000000 ] - [ -0.0001877500000000, -0.0081133900000000, -0.0014636300000000 ] - [ 0.0000224000000000, -0.0072884800000000, -0.0017469900000000 ] - [ -0.0001554600000000, -0.0079475200000000, -0.0014801900000000 ] - [ 0.0016557900000000, 0.0071001400000000, -0.0046160300000000 ] - [ -0.0000773800000000, 0.0079519100000000, -0.0013472600000000 ] - [ 0.0000039000000000, 0.0081290100000000, -0.0013266500000000 ] - [ -0.0000297600000000, 0.0080343200000000, -0.0012921400000000 ] - [ -0.0086688500000000, 0.0128553500000000, -0.0039956000000000 ] - [ 0.0003175600000000, 0.0084191900000000, -0.0014878800000000 ] - [ 0.0001667900000000, 0.0073884000000000, -0.0016265500000000 ] - [ 0.0000621300000000, 0.0080102800000000, -0.0012748600000000 ] - [ -0.0007018700000000, 0.0002159600000000, -0.0057792400000000 ] - [ 0.0000845800000000, 0.0005192900000000, -0.0048637400000000 ] - [ -0.0000111100000000, 0.0005966300000000, -0.0048604700000000 ] - [ 0.0000121900000000, 0.0005747400000000, -0.0047832200000000 ] - [ 0.0027661000000000, 0.0021183300000000, -0.0058408300000000 ] - [ -0.0002978400000000, 0.0008210900000000, -0.0048559300000000 ] - [ 0.0000401600000000, 0.0004067800000000, -0.0048271300000000 ] - [ -0.0000673600000000, 0.0005983500000000, -0.0047760200000000 ] - [ 0.0008249300000000, -0.0001726700000000, -0.0041343800000000 ] - [ -0.0001072500000000, -0.0005047100000000, -0.0046121300000000 ] - [ 0.0000851200000000, -0.0017112800000000, -0.0038072500000000 ] - [ -0.0001092800000000, -0.0005835700000000, -0.0045948000000000 ] - [ -0.0002036900000000, -0.0007247900000000, -0.0049904500000000 ] - [ 0.0000364300000000, -0.0006297100000000, -0.0048376800000000 ] - [ 0.0000296700000000, -0.0002216700000000, -0.0051476900000000 ] - [ 0.0000176700000000, -0.0005868800000000, -0.0048454700000000 ] - [ -0.0048030600000000, 0.0011821600000000, 0.0616551300000000 ] - [ -0.0024076500000000, -0.0018798000000000, -0.0006958100000000 ] - [ -0.0023233100000000, -0.0021893700000000, -0.0006249400000000 ] - [ -0.0025002700000000, -0.0021299100000000, -0.0009413500000000 ] - [ -0.0024060400000000, -0.0021189000000000, -0.0037381800000000 ] - [ -0.0025587300000000, -0.0022258100000000, -0.0014115300000000 ] - [ -0.0025104000000000, -0.0020598200000000, -0.0014484700000000 ] - [ -0.0025280500000000, -0.0021292100000000, -0.0013110600000000 ] - [ -0.0025932000000000, 0.0022541400000000, -0.0013810200000000 ] - [ -0.0023173200000000, 0.0023129500000000, -0.0013614500000000 ] - [ -0.0025390700000000, 0.0020979100000000, -0.0014231300000000 ] - [ -0.0023148700000000, 0.0019906500000000, -0.0013234500000000 ] - [ -0.0021515800000000, 0.0019469200000000, -0.0013599800000000 ] - [ -0.0029866000000000, 0.0017146200000000, -0.0013803900000000 ] - [ -0.0022059800000000, 0.0022855400000000, -0.0013236700000000 ] - [ -0.0031662900000000, 0.0023860500000000, -0.0014248800000000 ] - [ 0.0014846700000000, -0.0010265800000000, 0.0001512400000000 ] - [ 0.0041662300000000, -0.0007610400000000, 0.0012585800000000 ] - [ 0.0022172100000000, -0.0023108600000000, -0.0006143900000000 ] - [ 0.0025191900000000, -0.0022670900000000, -0.0006786900000000 ] - [ 0.0028957400000000, -0.0023728900000000, -0.0015960100000000 ] - [ 0.0017642800000000, -0.0026122700000000, -0.0019474400000000 ] - [ 0.0025979700000000, -0.0020973600000000, -0.0013974400000000 ] - [ 0.0024588800000000, -0.0020427200000000, -0.0014224000000000 ] - [ 0.0025395900000000, 0.0040546000000000, -0.0032022500000000 ] - [ 0.0024726000000000, 0.0021634300000000, -0.0012279900000000 ] - [ 0.0023913600000000, 0.0019108300000000, -0.0013997500000000 ] - [ 0.0024736800000000, 0.0021136800000000, -0.0012266000000000 ] - [ 0.0031978900000000, -0.0041371500000000, -0.0032204700000000 ] - [ 0.0024805200000000, 0.0020743300000000, -0.0012227400000000 ] - [ 0.0028158900000000, 0.0026694900000000, -0.0013995000000000 ] - [ 0.0024600400000000, 0.0021937700000000, -0.0012311600000000 ]