# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/be6ae8ce-ac8a-49b2-824a-90a19fbda680/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 NaZn(PO3)3 / I-43d (220) / materials id 560174](https://mdr.nims.go.jp/datasets/8cf26299-46f1-4765-b940-d423fb10e18c) ## Fulltext phonopy: version: 2.17.1 frequency_unit_conversion_factor: 15.633302 symmetry_tolerance: 1.00000e-05 configuration: save_params: ".true."physical_unit: atomic_mass: "AMU" length: "angstrom" force_constants: "eV/angstrom^2"space_group: type: "I-43d" number: 220 Hall_symbol: "I -4bd 2c 3"primitive_matrix:- [ -0.500000000000000, 0.500000000000000, 0.500000000000000 ]- [ 0.500000000000000, -0.500000000000000, 0.500000000000000 ]- [ 0.500000000000000, 0.500000000000000, -0.500000000000000 ]supercell_matrix:- [ 1, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ -7.291816505000000, 7.291816505000000, 7.291816505000000 ] # a - [ 7.291816505000000, -7.291816505000000, 7.291816505000000 ] # b - [ 7.291816505000000, 7.291816505000000, -7.291816505000000 ] # c points: - symbol: Na # 1 coordinates: [ 0.500000000000000, 0.000000000000000, 0.779518860000000 ] mass: 22.989769 - symbol: Na # 2 coordinates: [ 0.279518860000000, 0.500000000000000, 0.000000000000000 ] mass: 22.989769 - symbol: Na # 3 coordinates: [ 0.500000000000000, 0.000000000000000, 0.279518860000000 ] mass: 22.989769 - symbol: Na # 4 coordinates: [ 0.779518860000000, 0.500000000000000, 0.000000000000000 ] mass: 22.989769 - symbol: Na # 5 coordinates: [ 0.720481140000000, 0.720481140000000, 0.720481140000000 ] mass: 22.989769 - symbol: Na # 6 coordinates: [ 0.000000000000000, 0.279518860000000, 0.500000000000000 ] mass: 22.989769 - symbol: Na # 7 coordinates: [ 0.000000000000000, 0.779518860000000, 0.500000000000000 ] mass: 22.989769 - symbol: Na # 8 coordinates: [ 0.220481140000000, 0.220481140000000, 0.220481140000000 ] mass: 22.989769 - symbol: Zn # 9 coordinates: [ 0.500000000000000, 0.000000000000000, 0.029797440000000 ] mass: 65.380000 - symbol: Zn # 10 coordinates: [ 0.529797440000000, 0.500000000000000, 0.000000000000000 ] mass: 65.380000 - symbol: Zn # 11 coordinates: [ 0.470202560000000, 0.470202560000000, 0.470202560000000 ] mass: 65.380000 - symbol: Zn # 12 coordinates: [ 0.000000000000000, 0.529797440000000, 0.500000000000000 ] mass: 65.380000 - symbol: Zn # 13 coordinates: [ 0.970202560000000, 0.970202560000000, 0.970202560000000 ] mass: 65.380000 - symbol: Zn # 14 coordinates: [ 0.000000000000000, 0.029797440000000, 0.500000000000000 ] mass: 65.380000 - symbol: Zn # 15 coordinates: [ 0.500000000000000, 0.000000000000000, 0.529797440000000 ] mass: 65.380000 - symbol: Zn # 16 coordinates: [ 0.029797440000000, 0.500000000000000, 0.000000000000000 ] mass: 65.380000 - symbol: P # 17 coordinates: [ 0.442925490000000, 0.719950560000000, 0.505617750000000 ] mass: 30.973762 - symbol: P # 18 coordinates: [ 0.277025070000000, 0.057074510000000, 0.562692260000000 ] mass: 30.973762 - symbol: P # 19 coordinates: [ 0.994382250000000, 0.714332810000000, 0.937307740000000 ] mass: 30.973762 - symbol: P # 20 coordinates: [ 0.505617750000000, 0.442925490000000, 0.719950560000000 ] mass: 30.973762 - symbol: P # 21 coordinates: [ 0.942925490000000, 0.005617750000000, 0.219950560000000 ] mass: 30.973762 - symbol: P # 22 coordinates: [ 0.562692260000000, 0.277025070000000, 0.057074510000000 ] mass: 30.973762 - symbol: P # 23 coordinates: [ 0.285667190000000, 0.722974930000000, 0.280049440000000 ] mass: 30.973762 - symbol: P # 24 coordinates: [ 0.437307740000000, 0.214332810000000, 0.494382250000000 ] mass: 30.973762 - symbol: P # 25 coordinates: [ 0.722974930000000, 0.280049440000000, 0.285667190000000 ] mass: 30.973762 - symbol: P # 26 coordinates: [ 0.785667190000000, 0.780049440000000, 0.222974930000000 ] mass: 30.973762 - symbol: P # 27 coordinates: [ 0.057074510000000, 0.562692260000000, 0.277025070000000 ] mass: 30.973762 - symbol: P # 28 coordinates: [ 0.557074510000000, 0.777025070000000, 0.062692260000000 ] mass: 30.973762 - symbol: P # 29 coordinates: [ 0.780049440000000, 0.222974930000000, 0.785667190000000 ] mass: 30.973762 - symbol: P # 30 coordinates: [ 0.219950560000000, 0.942925490000000, 0.005617750000000 ] mass: 30.973762 - symbol: P # 31 coordinates: [ 0.005617750000000, 0.219950560000000, 0.942925490000000 ] mass: 30.973762 - symbol: P # 32 coordinates: [ 0.062692260000000, 0.557074510000000, 0.777025070000000 ] mass: 30.973762 - symbol: P # 33 coordinates: [ 0.280049440000000, 0.285667190000000, 0.722974930000000 ] mass: 30.973762 - symbol: P # 34 coordinates: [ 0.719950560000000, 0.505617750000000, 0.442925490000000 ] mass: 30.973762 - symbol: P # 35 coordinates: [ 0.937307740000000, 0.994382250000000, 0.714332810000000 ] mass: 30.973762 - symbol: P # 36 coordinates: [ 0.214332810000000, 0.494382250000000, 0.437307740000000 ] mass: 30.973762 - symbol: P # 37 coordinates: [ 0.777025070000000, 0.062692260000000, 0.557074510000000 ] mass: 30.973762 - symbol: P # 38 coordinates: [ 0.714332810000000, 0.937307740000000, 0.994382250000000 ] mass: 30.973762 - symbol: P # 39 coordinates: [ 0.222974930000000, 0.785667190000000, 0.780049440000000 ] mass: 30.973762 - symbol: P # 40 coordinates: [ 0.494382250000000, 0.437307740000000, 0.214332810000000 ] mass: 30.973762 - symbol: O # 41 coordinates: [ 0.968354220000000, 0.497097540000000, 0.133878800000000 ] mass: 15.999400 - symbol: O # 42 coordinates: [ 0.646235520000000, 0.521368630000000, 0.321887370000000 ] mass: 15.999400 - symbol: O # 43 coordinates: [ 0.366121200000000, 0.863218740000000, 0.834475420000000 ] mass: 15.999400 - symbol: O # 44 coordinates: [ 0.633480610000000, 0.137983750000000, 0.225367860000000 ] mass: 15.999400 - symbol: O # 45 coordinates: [ 0.478631370000000, 0.300518740000000, 0.124866890000000 ] mass: 15.999400 - symbol: O # 46 coordinates: [ 0.087384110000000, 0.362016250000000, 0.995496860000000 ] mass: 15.999400 - symbol: O # 47 coordinates: [ 0.591887250000000, 0.366519390000000, 0.004503140000000 ] mass: 15.999400 - symbol: O # 48 coordinates: [ 0.875133110000000, 0.853764480000000, 0.175651850000000 ] mass: 15.999400 - symbol: O # 49 coordinates: [ 0.004503140000000, 0.591887250000000, 0.366519390000000 ] mass: 15.999400 - symbol: O # 50 coordinates: [ 0.146235520000000, 0.821887370000000, 0.021368630000000 ] mass: 15.999400 - symbol: O # 51 coordinates: [ 0.136781260000000, 0.471256680000000, 0.502902460000000 ] mass: 15.999400 - symbol: O # 52 coordinates: [ 0.408112750000000, 0.274632140000000, 0.412615890000000 ] mass: 15.999400 - symbol: O # 53 coordinates: [ 0.866519390000000, 0.091887250000000, 0.504503140000000 ] mass: 15.999400 - symbol: O # 54 coordinates: [ 0.636781260000000, 0.002902460000000, 0.971256680000000 ] mass: 15.999400 - symbol: O # 55 coordinates: [ 0.774632140000000, 0.908112750000000, 0.912615890000000 ] mass: 15.999400 - symbol: O # 56 coordinates: [ 0.133480610000000, 0.725367860000000, 0.637983750000000 ] mass: 15.999400 - symbol: O # 57 coordinates: [ 0.471256680000000, 0.502902460000000, 0.136781260000000 ] mass: 15.999400 - symbol: O # 58 coordinates: [ 0.353764480000000, 0.375133110000000, 0.675651850000000 ] mass: 15.999400 - symbol: O # 59 coordinates: [ 0.502902460000000, 0.136781260000000, 0.471256680000000 ] mass: 15.999400 - symbol: O # 60 coordinates: [ 0.863218740000000, 0.834475420000000, 0.366121200000000 ] mass: 15.999400 - symbol: O # 61 coordinates: [ 0.002902460000000, 0.971256680000000, 0.636781260000000 ] mass: 15.999400 - symbol: O # 62 coordinates: [ 0.834475420000000, 0.366121200000000, 0.863218740000000 ] mass: 15.999400 - symbol: O # 63 coordinates: [ 0.021368630000000, 0.146235520000000, 0.821887370000000 ] mass: 15.999400 - symbol: O # 64 coordinates: [ 0.175651850000000, 0.875133110000000, 0.853764480000000 ] mass: 15.999400 - symbol: O # 65 coordinates: [ 0.866121200000000, 0.334475420000000, 0.363218740000000 ] mass: 15.999400 - symbol: O # 66 coordinates: [ 0.334475420000000, 0.363218740000000, 0.866121200000000 ] mass: 15.999400 - symbol: O # 67 coordinates: [ 0.321887370000000, 0.646235520000000, 0.521368630000000 ] mass: 15.999400 - symbol: O # 68 coordinates: [ 0.912615890000000, 0.774632140000000, 0.908112750000000 ] mass: 15.999400 - symbol: O # 69 coordinates: [ 0.165524580000000, 0.031645780000000, 0.028743320000000 ] mass: 15.999400 - symbol: O # 70 coordinates: [ 0.091887250000000, 0.504503140000000, 0.866519390000000 ] mass: 15.999400 - symbol: O # 71 coordinates: [ 0.137983750000000, 0.225367860000000, 0.633480610000000 ] mass: 15.999400 - symbol: O # 72 coordinates: [ 0.971256680000000, 0.636781260000000, 0.002902460000000 ] mass: 15.999400 - symbol: O # 73 coordinates: [ 0.521368630000000, 0.321887370000000, 0.646235520000000 ] mass: 15.999400 - symbol: O # 74 coordinates: [ 0.531645780000000, 0.665524580000000, 0.528743320000000 ] mass: 15.999400 - symbol: O # 75 coordinates: [ 0.633878800000000, 0.997097540000000, 0.468354220000000 ] mass: 15.999400 - symbol: O # 76 coordinates: [ 0.678112630000000, 0.824348150000000, 0.199481260000000 ] mass: 15.999400 - symbol: O # 77 coordinates: [ 0.133878800000000, 0.968354220000000, 0.497097540000000 ] mass: 15.999400 - symbol: O # 78 coordinates: [ 0.199481260000000, 0.678112630000000, 0.824348150000000 ] mass: 15.999400 - symbol: O # 79 coordinates: [ 0.908112750000000, 0.912615890000000, 0.774632140000000 ] mass: 15.999400 - symbol: O # 80 coordinates: [ 0.324348150000000, 0.178112630000000, 0.699481260000000 ] mass: 15.999400 - symbol: O # 81 coordinates: [ 0.995496860000000, 0.087384110000000, 0.362016250000000 ] mass: 15.999400 - symbol: O # 82 coordinates: [ 0.675651850000000, 0.353764480000000, 0.375133110000000 ] mass: 15.999400 - symbol: O # 83 coordinates: [ 0.300518740000000, 0.124866890000000, 0.478631370000000 ] mass: 15.999400 - symbol: O # 84 coordinates: [ 0.997097540000000, 0.468354220000000, 0.633878800000000 ] mass: 15.999400 - symbol: O # 85 coordinates: [ 0.800518740000000, 0.978631370000000, 0.624866890000000 ] mass: 15.999400 - symbol: O # 86 coordinates: [ 0.366519390000000, 0.004503140000000, 0.591887250000000 ] mass: 15.999400 - symbol: O # 87 coordinates: [ 0.587384110000000, 0.495496860000000, 0.862016250000000 ] mass: 15.999400 - symbol: O # 88 coordinates: [ 0.528743320000000, 0.531645780000000, 0.665524580000000 ] mass: 15.999400 - symbol: O # 89 coordinates: [ 0.624866890000000, 0.800518740000000, 0.978631370000000 ] mass: 15.999400 - symbol: O # 90 coordinates: [ 0.362016250000000, 0.995496860000000, 0.087384110000000 ] mass: 15.999400 - symbol: O # 91 coordinates: [ 0.504503140000000, 0.866519390000000, 0.091887250000000 ] mass: 15.999400 - symbol: O # 92 coordinates: [ 0.637983750000000, 0.133480610000000, 0.725367860000000 ] mass: 15.999400 - symbol: O # 93 coordinates: [ 0.124866890000000, 0.478631370000000, 0.300518740000000 ] mass: 15.999400 - symbol: O # 94 coordinates: [ 0.978631370000000, 0.624866890000000, 0.800518740000000 ] mass: 15.999400 - symbol: O # 95 coordinates: [ 0.178112630000000, 0.699481260000000, 0.324348150000000 ] mass: 15.999400 - symbol: O # 96 coordinates: [ 0.665524580000000, 0.528743320000000, 0.531645780000000 ] mass: 15.999400 - symbol: O # 97 coordinates: [ 0.363218740000000, 0.866121200000000, 0.334475420000000 ] mass: 15.999400 - symbol: O # 98 coordinates: [ 0.853764480000000, 0.175651850000000, 0.875133110000000 ] mass: 15.999400 - symbol: O # 99 coordinates: [ 0.031645780000000, 0.028743320000000, 0.165524580000000 ] mass: 15.999400 - symbol: O # 100 coordinates: [ 0.225367860000000, 0.633480610000000, 0.137983750000000 ] mass: 15.999400 - symbol: O # 101 coordinates: [ 0.274632140000000, 0.412615890000000, 0.408112750000000 ] mass: 15.999400 - symbol: O # 102 coordinates: [ 0.699481260000000, 0.324348150000000, 0.178112630000000 ] mass: 15.999400 - symbol: O # 103 coordinates: [ 0.824348150000000, 0.199481260000000, 0.678112630000000 ] mass: 15.999400 - symbol: O # 104 coordinates: [ 0.495496860000000, 0.862016250000000, 0.587384110000000 ] mass: 15.999400 - symbol: O # 105 coordinates: [ 0.468354220000000, 0.633878800000000, 0.997097540000000 ] mass: 15.999400 - symbol: O # 106 coordinates: [ 0.412615890000000, 0.408112750000000, 0.274632140000000 ] mass: 15.999400 - symbol: O # 107 coordinates: [ 0.375133110000000, 0.675651850000000, 0.353764480000000 ] mass: 15.999400 - symbol: O # 108 coordinates: [ 0.028743320000000, 0.165524580000000, 0.031645780000000 ] mass: 15.999400 - symbol: O # 109 coordinates: [ 0.821887370000000, 0.021368630000000, 0.146235520000000 ] mass: 15.999400 - symbol: O # 110 coordinates: [ 0.725367860000000, 0.637983750000000, 0.133480610000000 ] mass: 15.999400 - symbol: O # 111 coordinates: [ 0.862016250000000, 0.587384110000000, 0.495496860000000 ] mass: 15.999400 - symbol: O # 112 coordinates: [ 0.497097540000000, 0.133878800000000, 0.968354220000000 ] mass: 15.999400 reciprocal_lattice: # without 2pi - [ 0.000000000000000, 0.068570019508465, 0.068570019508465 ] # a* - [ 0.068570019508465, 0.000000000000000, 0.068570019508465 ] # b* - [ 0.068570019508465, 0.068570019508465, 0.000000000000000 ] # c*unit_cell: lattice: - [ 14.583633010000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 14.583633010000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 14.583633010000000 ] # c points: - symbol: Na # 1 coordinates: [ 0.639759430000000, 0.139759430000000, 0.360240570000000 ] mass: 22.989769 reduced_to: 1 - symbol: Na # 2 coordinates: [ 0.610240570000000, 0.389759430000000, 0.889759430000000 ] mass: 22.989769 reduced_to: 2 - symbol: Na # 3 coordinates: [ 0.389759430000000, 0.889759430000000, 0.610240570000000 ] mass: 22.989769 reduced_to: 3 - symbol: Na # 4 coordinates: [ 0.360240570000000, 0.639759430000000, 0.139759430000000 ] mass: 22.989769 reduced_to: 4 - symbol: Na # 5 coordinates: [ 0.360240570000000, 0.360240570000000, 0.360240570000000 ] mass: 22.989769 reduced_to: 5 - symbol: Na # 6 coordinates: [ 0.889759430000000, 0.610240570000000, 0.389759430000000 ] mass: 22.989769 reduced_to: 6 - symbol: Na # 7 coordinates: [ 0.139759430000000, 0.360240570000000, 0.639759430000000 ] mass: 22.989769 reduced_to: 7 - symbol: Na # 8 coordinates: [ 0.110240570000000, 0.110240570000000, 0.110240570000000 ] mass: 22.989769 reduced_to: 8 - symbol: Na # 9 coordinates: [ 0.139759430000000, 0.639759430000000, 0.860240570000000 ] mass: 22.989769 reduced_to: 1 - symbol: Na # 10 coordinates: [ 0.110240570000000, 0.889759430000000, 0.389759430000000 ] mass: 22.989769 reduced_to: 2 - symbol: Na # 11 coordinates: [ 0.889759430000000, 0.389759430000000, 0.110240570000000 ] mass: 22.989769 reduced_to: 3 - symbol: Na # 12 coordinates: [ 0.860240570000000, 0.139759430000000, 0.639759430000000 ] mass: 22.989769 reduced_to: 4 - symbol: Na # 13 coordinates: [ 0.860240570000000, 0.860240570000000, 0.860240570000000 ] mass: 22.989769 reduced_to: 5 - symbol: Na # 14 coordinates: [ 0.389759430000000, 0.110240570000000, 0.889759430000000 ] mass: 22.989769 reduced_to: 6 - symbol: Na # 15 coordinates: [ 0.639759430000000, 0.860240570000000, 0.139759430000000 ] mass: 22.989769 reduced_to: 7 - symbol: Na # 16 coordinates: [ 0.610240570000000, 0.610240570000000, 0.610240570000000 ] mass: 22.989769 reduced_to: 8 - symbol: Zn # 17 coordinates: [ 0.764898720000000, 0.264898720000000, 0.235101280000000 ] mass: 65.380000 reduced_to: 17 - symbol: Zn # 18 coordinates: [ 0.985101280000000, 0.014898720000000, 0.514898720000000 ] mass: 65.380000 reduced_to: 18 - symbol: Zn # 19 coordinates: [ 0.235101280000000, 0.235101280000000, 0.235101280000000 ] mass: 65.380000 reduced_to: 19 - symbol: Zn # 20 coordinates: [ 0.514898720000000, 0.985101280000000, 0.014898720000000 ] mass: 65.380000 reduced_to: 20 - symbol: Zn # 21 coordinates: [ 0.485101280000000, 0.485101280000000, 0.485101280000000 ] mass: 65.380000 reduced_to: 21 - symbol: Zn # 22 coordinates: [ 0.264898720000000, 0.235101280000000, 0.764898720000000 ] mass: 65.380000 reduced_to: 22 - symbol: Zn # 23 coordinates: [ 0.014898720000000, 0.514898720000000, 0.985101280000000 ] mass: 65.380000 reduced_to: 23 - symbol: Zn # 24 coordinates: [ 0.235101280000000, 0.764898720000000, 0.264898720000000 ] mass: 65.380000 reduced_to: 24 - symbol: Zn # 25 coordinates: [ 0.264898720000000, 0.764898720000000, 0.735101280000000 ] mass: 65.380000 reduced_to: 17 - symbol: Zn # 26 coordinates: [ 0.485101280000000, 0.514898720000000, 0.014898720000000 ] mass: 65.380000 reduced_to: 18 - symbol: Zn # 27 coordinates: [ 0.735101280000000, 0.735101280000000, 0.735101280000000 ] mass: 65.380000 reduced_to: 19 - symbol: Zn # 28 coordinates: [ 0.014898720000000, 0.485101280000000, 0.514898720000000 ] mass: 65.380000 reduced_to: 20 - symbol: Zn # 29 coordinates: [ 0.985101280000000, 0.985101280000000, 0.985101280000000 ] mass: 65.380000 reduced_to: 21 - symbol: Zn # 30 coordinates: [ 0.764898720000000, 0.735101280000000, 0.264898720000000 ] mass: 65.380000 reduced_to: 22 - symbol: Zn # 31 coordinates: [ 0.514898720000000, 0.014898720000000, 0.485101280000000 ] mass: 65.380000 reduced_to: 23 - symbol: Zn # 32 coordinates: [ 0.735101280000000, 0.264898720000000, 0.764898720000000 ] mass: 65.380000 reduced_to: 24 - symbol: P # 33 coordinates: [ 0.391321410000000, 0.114296340000000, 0.328629150000000 ] mass: 30.973762 reduced_to: 33 - symbol: P # 34 coordinates: [ 0.171370850000000, 0.391321410000000, 0.885703660000000 ] mass: 30.973762 reduced_to: 34 - symbol: P # 35 coordinates: [ 0.328629150000000, 0.608678590000000, 0.385703660000000 ] mass: 30.973762 reduced_to: 35 - symbol: P # 36 coordinates: [ 0.328629150000000, 0.391321410000000, 0.114296340000000 ] mass: 30.973762 reduced_to: 36 - symbol: P # 37 coordinates: [ 0.641321410000000, 0.578629150000000, 0.364296340000000 ] mass: 30.973762 reduced_to: 37 - symbol: P # 38 coordinates: [ 0.885703660000000, 0.171370850000000, 0.391321410000000 ] mass: 30.973762 reduced_to: 38 - symbol: P # 39 coordinates: [ 0.358678590000000, 0.921370850000000, 0.364296340000000 ] mass: 30.973762 reduced_to: 39 - symbol: P # 40 coordinates: [ 0.135703660000000, 0.358678590000000, 0.078629150000000 ] mass: 30.973762 reduced_to: 40 - symbol: P # 41 coordinates: [ 0.921370850000000, 0.364296340000000, 0.358678590000000 ] mass: 30.973762 reduced_to: 41 - symbol: P # 42 coordinates: [ 0.108678590000000, 0.114296340000000, 0.671370850000000 ] mass: 30.973762 reduced_to: 42 - symbol: P # 43 coordinates: [ 0.391321410000000, 0.885703660000000, 0.171370850000000 ] mass: 30.973762 reduced_to: 43 - symbol: P # 44 coordinates: [ 0.141321410000000, 0.921370850000000, 0.635703660000000 ] mass: 30.973762 reduced_to: 44 - symbol: P # 45 coordinates: [ 0.114296340000000, 0.671370850000000, 0.108678590000000 ] mass: 30.973762 reduced_to: 45 - symbol: P # 46 coordinates: [ 0.364296340000000, 0.641321410000000, 0.578629150000000 ] mass: 30.973762 reduced_to: 46 - symbol: P # 47 coordinates: [ 0.578629150000000, 0.364296340000000, 0.641321410000000 ] mass: 30.973762 reduced_to: 47 - symbol: P # 48 coordinates: [ 0.635703660000000, 0.141321410000000, 0.921370850000000 ] mass: 30.973762 reduced_to: 48 - symbol: P # 49 coordinates: [ 0.364296340000000, 0.358678590000000, 0.921370850000000 ] mass: 30.973762 reduced_to: 49 - symbol: P # 50 coordinates: [ 0.114296340000000, 0.328629150000000, 0.391321410000000 ] mass: 30.973762 reduced_to: 50 - symbol: P # 51 coordinates: [ 0.385703660000000, 0.328629150000000, 0.608678590000000 ] mass: 30.973762 reduced_to: 51 - symbol: P # 52 coordinates: [ 0.358678590000000, 0.078629150000000, 0.135703660000000 ] mass: 30.973762 reduced_to: 52 - symbol: P # 53 coordinates: [ 0.921370850000000, 0.635703660000000, 0.141321410000000 ] mass: 30.973762 reduced_to: 53 - symbol: P # 54 coordinates: [ 0.608678590000000, 0.385703660000000, 0.328629150000000 ] mass: 30.973762 reduced_to: 54 - symbol: P # 55 coordinates: [ 0.671370850000000, 0.108678590000000, 0.114296340000000 ] mass: 30.973762 reduced_to: 55 - symbol: P # 56 coordinates: [ 0.078629150000000, 0.135703660000000, 0.358678590000000 ] mass: 30.973762 reduced_to: 56 - symbol: P # 57 coordinates: [ 0.891321410000000, 0.614296340000000, 0.828629150000000 ] mass: 30.973762 reduced_to: 33 - symbol: P # 58 coordinates: [ 0.671370850000000, 0.891321410000000, 0.385703660000000 ] mass: 30.973762 reduced_to: 34 - symbol: P # 59 coordinates: [ 0.828629150000000, 0.108678590000000, 0.885703660000000 ] mass: 30.973762 reduced_to: 35 - symbol: P # 60 coordinates: [ 0.828629150000000, 0.891321410000000, 0.614296340000000 ] mass: 30.973762 reduced_to: 36 - symbol: P # 61 coordinates: [ 0.141321410000000, 0.078629150000000, 0.864296340000000 ] mass: 30.973762 reduced_to: 37 - symbol: P # 62 coordinates: [ 0.385703660000000, 0.671370850000000, 0.891321410000000 ] mass: 30.973762 reduced_to: 38 - symbol: P # 63 coordinates: [ 0.858678590000000, 0.421370850000000, 0.864296340000000 ] mass: 30.973762 reduced_to: 39 - symbol: P # 64 coordinates: [ 0.635703660000000, 0.858678590000000, 0.578629150000000 ] mass: 30.973762 reduced_to: 40 - symbol: P # 65 coordinates: [ 0.421370850000000, 0.864296340000000, 0.858678590000000 ] mass: 30.973762 reduced_to: 41 - symbol: P # 66 coordinates: [ 0.608678590000000, 0.614296340000000, 0.171370850000000 ] mass: 30.973762 reduced_to: 42 - symbol: P # 67 coordinates: [ 0.891321410000000, 0.385703660000000, 0.671370850000000 ] mass: 30.973762 reduced_to: 43 - symbol: P # 68 coordinates: [ 0.641321410000000, 0.421370850000000, 0.135703660000000 ] mass: 30.973762 reduced_to: 44 - symbol: P # 69 coordinates: [ 0.614296340000000, 0.171370850000000, 0.608678590000000 ] mass: 30.973762 reduced_to: 45 - symbol: P # 70 coordinates: [ 0.864296340000000, 0.141321410000000, 0.078629150000000 ] mass: 30.973762 reduced_to: 46 - symbol: P # 71 coordinates: [ 0.078629150000000, 0.864296340000000, 0.141321410000000 ] mass: 30.973762 reduced_to: 47 - symbol: P # 72 coordinates: [ 0.135703660000000, 0.641321410000000, 0.421370850000000 ] mass: 30.973762 reduced_to: 48 - symbol: P # 73 coordinates: [ 0.864296340000000, 0.858678590000000, 0.421370850000000 ] mass: 30.973762 reduced_to: 49 - symbol: P # 74 coordinates: [ 0.614296340000000, 0.828629150000000, 0.891321410000000 ] mass: 30.973762 reduced_to: 50 - symbol: P # 75 coordinates: [ 0.885703660000000, 0.828629150000000, 0.108678590000000 ] mass: 30.973762 reduced_to: 51 - symbol: P # 76 coordinates: [ 0.858678590000000, 0.578629150000000, 0.635703660000000 ] mass: 30.973762 reduced_to: 52 - symbol: P # 77 coordinates: [ 0.421370850000000, 0.135703660000000, 0.641321410000000 ] mass: 30.973762 reduced_to: 53 - symbol: P # 78 coordinates: [ 0.108678590000000, 0.885703660000000, 0.828629150000000 ] mass: 30.973762 reduced_to: 54 - symbol: P # 79 coordinates: [ 0.171370850000000, 0.608678590000000, 0.614296340000000 ] mass: 30.973762 reduced_to: 55 - symbol: P # 80 coordinates: [ 0.578629150000000, 0.635703660000000, 0.858678590000000 ] mass: 30.973762 reduced_to: 56 - symbol: O # 81 coordinates: [ 0.831311060000000, 0.302567740000000, 0.665786480000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 82 coordinates: [ 0.098510240000000, 0.223377130000000, 0.422858390000000 ] mass: 15.999400 reduced_to: 82 - symbol: O # 83 coordinates: [ 0.665786480000000, 0.168688940000000, 0.197432260000000 ] mass: 15.999400 reduced_to: 83 - symbol: O # 84 coordinates: [ 0.864935500000000, 0.360432360000000, 0.273048250000000 ] mass: 15.999400 reduced_to: 84 - symbol: O # 85 coordinates: [ 0.973377130000000, 0.151489760000000, 0.327141610000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 86 coordinates: [ 0.635064500000000, 0.360432360000000, 0.726951750000000 ] mass: 15.999400 reduced_to: 86 - symbol: O # 87 coordinates: [ 0.889567640000000, 0.114935500000000, 0.476951750000000 ] mass: 15.999400 reduced_to: 87 - symbol: O # 88 coordinates: [ 0.077141610000000, 0.098510240000000, 0.776622870000000 ] mass: 15.999400 reduced_to: 88 - symbol: O # 89 coordinates: [ 0.476951750000000, 0.889567640000000, 0.114935500000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 90 coordinates: [ 0.348510240000000, 0.672858390000000, 0.473377130000000 ] mass: 15.999400 reduced_to: 90 - symbol: O # 91 coordinates: [ 0.418688940000000, 0.084213520000000, 0.052567740000000 ] mass: 15.999400 reduced_to: 91 - symbol: O # 92 coordinates: [ 0.139567640000000, 0.273048250000000, 0.135064500000000 ] mass: 15.999400 reduced_to: 92 - symbol: O # 93 coordinates: [ 0.864935500000000, 0.639567640000000, 0.226951750000000 ] mass: 15.999400 reduced_to: 93 - symbol: O # 94 coordinates: [ 0.168688940000000, 0.802567740000000, 0.834213520000000 ] mass: 15.999400 reduced_to: 94 - symbol: O # 95 coordinates: [ 0.523048250000000, 0.389567640000000, 0.385064500000000 ] mass: 15.999400 reduced_to: 95 - symbol: O # 96 coordinates: [ 0.614935500000000, 0.023048250000000, 0.110432360000000 ] mass: 15.999400 reduced_to: 96 - symbol: O # 97 coordinates: [ 0.084213520000000, 0.052567740000000, 0.418688940000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 98 coordinates: [ 0.348510240000000, 0.327141610000000, 0.026622870000000 ] mass: 15.999400 reduced_to: 98 - symbol: O # 99 coordinates: [ 0.052567740000000, 0.418688940000000, 0.084213520000000 ] mass: 15.999400 reduced_to: 99 - symbol: O # 100 coordinates: [ 0.168688940000000, 0.197432260000000, 0.665786480000000 ] mass: 15.999400 reduced_to: 100 - symbol: O # 101 coordinates: [ 0.802567740000000, 0.834213520000000, 0.168688940000000 ] mass: 15.999400 reduced_to: 101 - symbol: O # 102 coordinates: [ 0.197432260000000, 0.665786480000000, 0.168688940000000 ] mass: 15.999400 reduced_to: 102 - symbol: O # 103 coordinates: [ 0.473377130000000, 0.348510240000000, 0.672858390000000 ] mass: 15.999400 reduced_to: 103 - symbol: O # 104 coordinates: [ 0.776622870000000, 0.077141610000000, 0.098510240000000 ] mass: 15.999400 reduced_to: 104 - symbol: O # 105 coordinates: [ 0.915786480000000, 0.447432260000000, 0.418688940000000 ] mass: 15.999400 reduced_to: 105 - symbol: O # 106 coordinates: [ 0.447432260000000, 0.418688940000000, 0.915786480000000 ] mass: 15.999400 reduced_to: 106 - symbol: O # 107 coordinates: [ 0.422858390000000, 0.098510240000000, 0.223377130000000 ] mass: 15.999400 reduced_to: 107 - symbol: O # 108 coordinates: [ 0.385064500000000, 0.523048250000000, 0.389567640000000 ] mass: 15.999400 reduced_to: 108 - symbol: O # 109 coordinates: [ 0.947432260000000, 0.081311060000000, 0.084213520000000 ] mass: 15.999400 reduced_to: 109 - symbol: O # 110 coordinates: [ 0.639567640000000, 0.226951750000000, 0.864935500000000 ] mass: 15.999400 reduced_to: 110 - symbol: O # 111 coordinates: [ 0.360432360000000, 0.273048250000000, 0.864935500000000 ] mass: 15.999400 reduced_to: 111 - symbol: O # 112 coordinates: [ 0.834213520000000, 0.168688940000000, 0.802567740000000 ] mass: 15.999400 reduced_to: 112 - symbol: O # 113 coordinates: [ 0.223377130000000, 0.422858390000000, 0.098510240000000 ] mass: 15.999400 reduced_to: 113 - symbol: O # 114 coordinates: [ 0.331311060000000, 0.197432260000000, 0.334213520000000 ] mass: 15.999400 reduced_to: 114 - symbol: O # 115 coordinates: [ 0.415786480000000, 0.052567740000000, 0.581311060000000 ] mass: 15.999400 reduced_to: 115 - symbol: O # 116 coordinates: [ 0.172858390000000, 0.026622870000000, 0.651489760000000 ] mass: 15.999400 reduced_to: 116 - symbol: O # 117 coordinates: [ 0.665786480000000, 0.831311060000000, 0.302567740000000 ] mass: 15.999400 reduced_to: 117 - symbol: O # 118 coordinates: [ 0.651489760000000, 0.172858390000000, 0.026622870000000 ] mass: 15.999400 reduced_to: 118 - symbol: O # 119 coordinates: [ 0.389567640000000, 0.385064500000000, 0.523048250000000 ] mass: 15.999400 reduced_to: 119 - symbol: O # 120 coordinates: [ 0.276622870000000, 0.422858390000000, 0.901489760000000 ] mass: 15.999400 reduced_to: 120 - symbol: O # 121 coordinates: [ 0.726951750000000, 0.635064500000000, 0.360432360000000 ] mass: 15.999400 reduced_to: 121 - symbol: O # 122 coordinates: [ 0.026622870000000, 0.348510240000000, 0.327141610000000 ] mass: 15.999400 reduced_to: 122 - symbol: O # 123 coordinates: [ 0.151489760000000, 0.327141610000000, 0.973377130000000 ] mass: 15.999400 reduced_to: 123 - symbol: O # 124 coordinates: [ 0.052567740000000, 0.581311060000000, 0.415786480000000 ] mass: 15.999400 reduced_to: 124 - symbol: O # 125 coordinates: [ 0.401489760000000, 0.223377130000000, 0.577141610000000 ] mass: 15.999400 reduced_to: 125 - symbol: O # 126 coordinates: [ 0.114935500000000, 0.476951750000000, 0.889567640000000 ] mass: 15.999400 reduced_to: 126 - symbol: O # 127 coordinates: [ 0.385064500000000, 0.476951750000000, 0.110432360000000 ] mass: 15.999400 reduced_to: 127 - symbol: O # 128 coordinates: [ 0.334213520000000, 0.331311060000000, 0.197432260000000 ] mass: 15.999400 reduced_to: 128 - symbol: O # 129 coordinates: [ 0.577141610000000, 0.401489760000000, 0.223377130000000 ] mass: 15.999400 reduced_to: 129 - symbol: O # 130 coordinates: [ 0.360432360000000, 0.726951750000000, 0.635064500000000 ] mass: 15.999400 reduced_to: 130 - symbol: O # 131 coordinates: [ 0.226951750000000, 0.864935500000000, 0.639567640000000 ] mass: 15.999400 reduced_to: 131 - symbol: O # 132 coordinates: [ 0.110432360000000, 0.614935500000000, 0.023048250000000 ] mass: 15.999400 reduced_to: 132 - symbol: O # 133 coordinates: [ 0.327141610000000, 0.973377130000000, 0.151489760000000 ] mass: 15.999400 reduced_to: 133 - symbol: O # 134 coordinates: [ 0.223377130000000, 0.577141610000000, 0.401489760000000 ] mass: 15.999400 reduced_to: 134 - symbol: O # 135 coordinates: [ 0.422858390000000, 0.901489760000000, 0.276622870000000 ] mass: 15.999400 reduced_to: 135 - symbol: O # 136 coordinates: [ 0.197432260000000, 0.334213520000000, 0.331311060000000 ] mass: 15.999400 reduced_to: 136 - symbol: O # 137 coordinates: [ 0.418688940000000, 0.915786480000000, 0.447432260000000 ] mass: 15.999400 reduced_to: 137 - symbol: O # 138 coordinates: [ 0.098510240000000, 0.776622870000000, 0.077141610000000 ] mass: 15.999400 reduced_to: 138 - symbol: O # 139 coordinates: [ 0.081311060000000, 0.084213520000000, 0.947432260000000 ] mass: 15.999400 reduced_to: 139 - symbol: O # 140 coordinates: [ 0.273048250000000, 0.864935500000000, 0.360432360000000 ] mass: 15.999400 reduced_to: 140 - symbol: O # 141 coordinates: [ 0.273048250000000, 0.135064500000000, 0.139567640000000 ] mass: 15.999400 reduced_to: 141 - symbol: O # 142 coordinates: [ 0.901489760000000, 0.276622870000000, 0.422858390000000 ] mass: 15.999400 reduced_to: 142 - symbol: O # 143 coordinates: [ 0.026622870000000, 0.651489760000000, 0.172858390000000 ] mass: 15.999400 reduced_to: 143 - symbol: O # 144 coordinates: [ 0.476951750000000, 0.110432360000000, 0.385064500000000 ] mass: 15.999400 reduced_to: 144 - symbol: O # 145 coordinates: [ 0.581311060000000, 0.415786480000000, 0.052567740000000 ] mass: 15.999400 reduced_to: 145 - symbol: O # 146 coordinates: [ 0.135064500000000, 0.139567640000000, 0.273048250000000 ] mass: 15.999400 reduced_to: 146 - symbol: O # 147 coordinates: [ 0.327141610000000, 0.026622870000000, 0.348510240000000 ] mass: 15.999400 reduced_to: 147 - symbol: O # 148 coordinates: [ 0.084213520000000, 0.947432260000000, 0.081311060000000 ] mass: 15.999400 reduced_to: 148 - symbol: O # 149 coordinates: [ 0.672858390000000, 0.473377130000000, 0.348510240000000 ] mass: 15.999400 reduced_to: 149 - symbol: O # 150 coordinates: [ 0.023048250000000, 0.110432360000000, 0.614935500000000 ] mass: 15.999400 reduced_to: 150 - symbol: O # 151 coordinates: [ 0.110432360000000, 0.385064500000000, 0.476951750000000 ] mass: 15.999400 reduced_to: 151 - symbol: O # 152 coordinates: [ 0.302567740000000, 0.665786480000000, 0.831311060000000 ] mass: 15.999400 reduced_to: 152 - symbol: O # 153 coordinates: [ 0.331311060000000, 0.802567740000000, 0.165786480000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 154 coordinates: [ 0.598510240000000, 0.723377130000000, 0.922858390000000 ] mass: 15.999400 reduced_to: 82 - symbol: O # 155 coordinates: [ 0.165786480000000, 0.668688940000000, 0.697432260000000 ] mass: 15.999400 reduced_to: 83 - symbol: O # 156 coordinates: [ 0.364935500000000, 0.860432360000000, 0.773048250000000 ] mass: 15.999400 reduced_to: 84 - symbol: O # 157 coordinates: [ 0.473377130000000, 0.651489760000000, 0.827141610000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 158 coordinates: [ 0.135064500000000, 0.860432360000000, 0.226951750000000 ] mass: 15.999400 reduced_to: 86 - symbol: O # 159 coordinates: [ 0.389567640000000, 0.614935500000000, 0.976951750000000 ] mass: 15.999400 reduced_to: 87 - symbol: O # 160 coordinates: [ 0.577141610000000, 0.598510240000000, 0.276622870000000 ] mass: 15.999400 reduced_to: 88 - symbol: O # 161 coordinates: [ 0.976951750000000, 0.389567640000000, 0.614935500000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 162 coordinates: [ 0.848510240000000, 0.172858390000000, 0.973377130000000 ] mass: 15.999400 reduced_to: 90 - symbol: O # 163 coordinates: [ 0.918688940000000, 0.584213520000000, 0.552567740000000 ] mass: 15.999400 reduced_to: 91 - symbol: O # 164 coordinates: [ 0.639567640000000, 0.773048250000000, 0.635064500000000 ] mass: 15.999400 reduced_to: 92 - symbol: O # 165 coordinates: [ 0.364935500000000, 0.139567640000000, 0.726951750000000 ] mass: 15.999400 reduced_to: 93 - symbol: O # 166 coordinates: [ 0.668688940000000, 0.302567740000000, 0.334213520000000 ] mass: 15.999400 reduced_to: 94 - symbol: O # 167 coordinates: [ 0.023048250000000, 0.889567640000000, 0.885064500000000 ] mass: 15.999400 reduced_to: 95 - symbol: O # 168 coordinates: [ 0.114935500000000, 0.523048250000000, 0.610432360000000 ] mass: 15.999400 reduced_to: 96 - symbol: O # 169 coordinates: [ 0.584213520000000, 0.552567740000000, 0.918688940000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 170 coordinates: [ 0.848510240000000, 0.827141610000000, 0.526622870000000 ] mass: 15.999400 reduced_to: 98 - symbol: O # 171 coordinates: [ 0.552567740000000, 0.918688940000000, 0.584213520000000 ] mass: 15.999400 reduced_to: 99 - symbol: O # 172 coordinates: [ 0.668688940000000, 0.697432260000000, 0.165786480000000 ] mass: 15.999400 reduced_to: 100 - symbol: O # 173 coordinates: [ 0.302567740000000, 0.334213520000000, 0.668688940000000 ] mass: 15.999400 reduced_to: 101 - symbol: O # 174 coordinates: [ 0.697432260000000, 0.165786480000000, 0.668688940000000 ] mass: 15.999400 reduced_to: 102 - symbol: O # 175 coordinates: [ 0.973377130000000, 0.848510240000000, 0.172858390000000 ] mass: 15.999400 reduced_to: 103 - symbol: O # 176 coordinates: [ 0.276622870000000, 0.577141610000000, 0.598510240000000 ] mass: 15.999400 reduced_to: 104 - symbol: O # 177 coordinates: [ 0.415786480000000, 0.947432260000000, 0.918688940000000 ] mass: 15.999400 reduced_to: 105 - symbol: O # 178 coordinates: [ 0.947432260000000, 0.918688940000000, 0.415786480000000 ] mass: 15.999400 reduced_to: 106 - symbol: O # 179 coordinates: [ 0.922858390000000, 0.598510240000000, 0.723377130000000 ] mass: 15.999400 reduced_to: 107 - symbol: O # 180 coordinates: [ 0.885064500000000, 0.023048250000000, 0.889567640000000 ] mass: 15.999400 reduced_to: 108 - symbol: O # 181 coordinates: [ 0.447432260000000, 0.581311060000000, 0.584213520000000 ] mass: 15.999400 reduced_to: 109 - symbol: O # 182 coordinates: [ 0.139567640000000, 0.726951750000000, 0.364935500000000 ] mass: 15.999400 reduced_to: 110 - symbol: O # 183 coordinates: [ 0.860432360000000, 0.773048250000000, 0.364935500000000 ] mass: 15.999400 reduced_to: 111 - symbol: O # 184 coordinates: [ 0.334213520000000, 0.668688940000000, 0.302567740000000 ] mass: 15.999400 reduced_to: 112 - symbol: O # 185 coordinates: [ 0.723377130000000, 0.922858390000000, 0.598510240000000 ] mass: 15.999400 reduced_to: 113 - symbol: O # 186 coordinates: [ 0.831311060000000, 0.697432260000000, 0.834213520000000 ] mass: 15.999400 reduced_to: 114 - symbol: O # 187 coordinates: [ 0.915786480000000, 0.552567740000000, 0.081311060000000 ] mass: 15.999400 reduced_to: 115 - symbol: O # 188 coordinates: [ 0.672858390000000, 0.526622870000000, 0.151489760000000 ] mass: 15.999400 reduced_to: 116 - symbol: O # 189 coordinates: [ 0.165786480000000, 0.331311060000000, 0.802567740000000 ] mass: 15.999400 reduced_to: 117 - symbol: O # 190 coordinates: [ 0.151489760000000, 0.672858390000000, 0.526622870000000 ] mass: 15.999400 reduced_to: 118 - symbol: O # 191 coordinates: [ 0.889567640000000, 0.885064500000000, 0.023048250000000 ] mass: 15.999400 reduced_to: 119 - symbol: O # 192 coordinates: [ 0.776622870000000, 0.922858390000000, 0.401489760000000 ] mass: 15.999400 reduced_to: 120 - symbol: O # 193 coordinates: [ 0.226951750000000, 0.135064500000000, 0.860432360000000 ] mass: 15.999400 reduced_to: 121 - symbol: O # 194 coordinates: [ 0.526622870000000, 0.848510240000000, 0.827141610000000 ] mass: 15.999400 reduced_to: 122 - symbol: O # 195 coordinates: [ 0.651489760000000, 0.827141610000000, 0.473377130000000 ] mass: 15.999400 reduced_to: 123 - symbol: O # 196 coordinates: [ 0.552567740000000, 0.081311060000000, 0.915786480000000 ] mass: 15.999400 reduced_to: 124 - symbol: O # 197 coordinates: [ 0.901489760000000, 0.723377130000000, 0.077141610000000 ] mass: 15.999400 reduced_to: 125 - symbol: O # 198 coordinates: [ 0.614935500000000, 0.976951750000000, 0.389567640000000 ] mass: 15.999400 reduced_to: 126 - symbol: O # 199 coordinates: [ 0.885064500000000, 0.976951750000000, 0.610432360000000 ] mass: 15.999400 reduced_to: 127 - symbol: O # 200 coordinates: [ 0.834213520000000, 0.831311060000000, 0.697432260000000 ] mass: 15.999400 reduced_to: 128 - symbol: O # 201 coordinates: [ 0.077141610000000, 0.901489760000000, 0.723377130000000 ] mass: 15.999400 reduced_to: 129 - symbol: O # 202 coordinates: [ 0.860432360000000, 0.226951750000000, 0.135064500000000 ] mass: 15.999400 reduced_to: 130 - symbol: O # 203 coordinates: [ 0.726951750000000, 0.364935500000000, 0.139567640000000 ] mass: 15.999400 reduced_to: 131 - symbol: O # 204 coordinates: [ 0.610432360000000, 0.114935500000000, 0.523048250000000 ] mass: 15.999400 reduced_to: 132 - symbol: O # 205 coordinates: [ 0.827141610000000, 0.473377130000000, 0.651489760000000 ] mass: 15.999400 reduced_to: 133 - symbol: O # 206 coordinates: [ 0.723377130000000, 0.077141610000000, 0.901489760000000 ] mass: 15.999400 reduced_to: 134 - symbol: O # 207 coordinates: [ 0.922858390000000, 0.401489760000000, 0.776622870000000 ] mass: 15.999400 reduced_to: 135 - symbol: O # 208 coordinates: [ 0.697432260000000, 0.834213520000000, 0.831311060000000 ] mass: 15.999400 reduced_to: 136 - symbol: O # 209 coordinates: [ 0.918688940000000, 0.415786480000000, 0.947432260000000 ] mass: 15.999400 reduced_to: 137 - symbol: O # 210 coordinates: [ 0.598510240000000, 0.276622870000000, 0.577141610000000 ] mass: 15.999400 reduced_to: 138 - symbol: O # 211 coordinates: [ 0.581311060000000, 0.584213520000000, 0.447432260000000 ] mass: 15.999400 reduced_to: 139 - symbol: O # 212 coordinates: [ 0.773048250000000, 0.364935500000000, 0.860432360000000 ] mass: 15.999400 reduced_to: 140 - symbol: O # 213 coordinates: [ 0.773048250000000, 0.635064500000000, 0.639567640000000 ] mass: 15.999400 reduced_to: 141 - symbol: O # 214 coordinates: [ 0.401489760000000, 0.776622870000000, 0.922858390000000 ] mass: 15.999400 reduced_to: 142 - symbol: O # 215 coordinates: [ 0.526622870000000, 0.151489760000000, 0.672858390000000 ] mass: 15.999400 reduced_to: 143 - symbol: O # 216 coordinates: [ 0.976951750000000, 0.610432360000000, 0.885064500000000 ] mass: 15.999400 reduced_to: 144 - symbol: O # 217 coordinates: [ 0.081311060000000, 0.915786480000000, 0.552567740000000 ] mass: 15.999400 reduced_to: 145 - symbol: O # 218 coordinates: [ 0.635064500000000, 0.639567640000000, 0.773048250000000 ] mass: 15.999400 reduced_to: 146 - symbol: O # 219 coordinates: [ 0.827141610000000, 0.526622870000000, 0.848510240000000 ] mass: 15.999400 reduced_to: 147 - symbol: O # 220 coordinates: [ 0.584213520000000, 0.447432260000000, 0.581311060000000 ] mass: 15.999400 reduced_to: 148 - symbol: O # 221 coordinates: [ 0.172858390000000, 0.973377130000000, 0.848510240000000 ] mass: 15.999400 reduced_to: 149 - symbol: O # 222 coordinates: [ 0.523048250000000, 0.610432360000000, 0.114935500000000 ] mass: 15.999400 reduced_to: 150 - symbol: O # 223 coordinates: [ 0.610432360000000, 0.885064500000000, 0.976951750000000 ] mass: 15.999400 reduced_to: 151 - symbol: O # 224 coordinates: [ 0.802567740000000, 0.165786480000000, 0.331311060000000 ] mass: 15.999400 reduced_to: 152supercell: lattice: - [ 14.583633010000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 14.583633010000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 14.583633010000000 ] # c points: - symbol: Na # 1 coordinates: [ 0.639759430000000, 0.139759430000000, 0.360240570000000 ] mass: 22.989769 reduced_to: 1 - symbol: Na # 2 coordinates: [ 0.610240570000000, 0.389759430000000, 0.889759430000000 ] mass: 22.989769 reduced_to: 2 - symbol: Na # 3 coordinates: [ 0.389759430000000, 0.889759430000000, 0.610240570000000 ] mass: 22.989769 reduced_to: 3 - symbol: Na # 4 coordinates: [ 0.360240570000000, 0.639759430000000, 0.139759430000000 ] mass: 22.989769 reduced_to: 4 - symbol: Na # 5 coordinates: [ 0.360240570000000, 0.360240570000000, 0.360240570000000 ] mass: 22.989769 reduced_to: 5 - symbol: Na # 6 coordinates: [ 0.889759430000000, 0.610240570000000, 0.389759430000000 ] mass: 22.989769 reduced_to: 6 - symbol: Na # 7 coordinates: [ 0.139759430000000, 0.360240570000000, 0.639759430000000 ] mass: 22.989769 reduced_to: 7 - symbol: Na # 8 coordinates: [ 0.110240570000000, 0.110240570000000, 0.110240570000000 ] mass: 22.989769 reduced_to: 8 - symbol: Na # 9 coordinates: [ 0.139759430000000, 0.639759430000000, 0.860240570000000 ] mass: 22.989769 reduced_to: 1 - symbol: Na # 10 coordinates: [ 0.110240570000000, 0.889759430000000, 0.389759430000000 ] mass: 22.989769 reduced_to: 2 - symbol: Na # 11 coordinates: [ 0.889759430000000, 0.389759430000000, 0.110240570000000 ] mass: 22.989769 reduced_to: 3 - symbol: Na # 12 coordinates: [ 0.860240570000000, 0.139759430000000, 0.639759430000000 ] mass: 22.989769 reduced_to: 4 - symbol: Na # 13 coordinates: [ 0.860240570000000, 0.860240570000000, 0.860240570000000 ] mass: 22.989769 reduced_to: 5 - symbol: Na # 14 coordinates: [ 0.389759430000000, 0.110240570000000, 0.889759430000000 ] mass: 22.989769 reduced_to: 6 - symbol: Na # 15 coordinates: [ 0.639759430000000, 0.860240570000000, 0.139759430000000 ] mass: 22.989769 reduced_to: 7 - symbol: Na # 16 coordinates: [ 0.610240570000000, 0.610240570000000, 0.610240570000000 ] mass: 22.989769 reduced_to: 8 - symbol: Zn # 17 coordinates: [ 0.764898720000000, 0.264898720000000, 0.235101280000000 ] mass: 65.380000 reduced_to: 17 - symbol: Zn # 18 coordinates: [ 0.985101280000000, 0.014898720000000, 0.514898720000000 ] mass: 65.380000 reduced_to: 18 - symbol: Zn # 19 coordinates: [ 0.235101280000000, 0.235101280000000, 0.235101280000000 ] mass: 65.380000 reduced_to: 19 - symbol: Zn # 20 coordinates: [ 0.514898720000000, 0.985101280000000, 0.014898720000000 ] mass: 65.380000 reduced_to: 20 - symbol: Zn # 21 coordinates: [ 0.485101280000000, 0.485101280000000, 0.485101280000000 ] mass: 65.380000 reduced_to: 21 - symbol: Zn # 22 coordinates: [ 0.264898720000000, 0.235101280000000, 0.764898720000000 ] mass: 65.380000 reduced_to: 22 - symbol: Zn # 23 coordinates: [ 0.014898720000000, 0.514898720000000, 0.985101280000000 ] mass: 65.380000 reduced_to: 23 - symbol: Zn # 24 coordinates: [ 0.235101280000000, 0.764898720000000, 0.264898720000000 ] mass: 65.380000 reduced_to: 24 - symbol: Zn # 25 coordinates: [ 0.264898720000000, 0.764898720000000, 0.735101280000000 ] mass: 65.380000 reduced_to: 17 - symbol: Zn # 26 coordinates: [ 0.485101280000000, 0.514898720000000, 0.014898720000000 ] mass: 65.380000 reduced_to: 18 - symbol: Zn # 27 coordinates: [ 0.735101280000000, 0.735101280000000, 0.735101280000000 ] mass: 65.380000 reduced_to: 19 - symbol: Zn # 28 coordinates: [ 0.014898720000000, 0.485101280000000, 0.514898720000000 ] mass: 65.380000 reduced_to: 20 - symbol: Zn # 29 coordinates: [ 0.985101280000000, 0.985101280000000, 0.985101280000000 ] mass: 65.380000 reduced_to: 21 - symbol: Zn # 30 coordinates: [ 0.764898720000000, 0.735101280000000, 0.264898720000000 ] mass: 65.380000 reduced_to: 22 - symbol: Zn # 31 coordinates: [ 0.514898720000000, 0.014898720000000, 0.485101280000000 ] mass: 65.380000 reduced_to: 23 - symbol: Zn # 32 coordinates: [ 0.735101280000000, 0.264898720000000, 0.764898720000000 ] mass: 65.380000 reduced_to: 24 - symbol: P # 33 coordinates: [ 0.391321410000000, 0.114296340000000, 0.328629150000000 ] mass: 30.973762 reduced_to: 33 - symbol: P # 34 coordinates: [ 0.171370850000000, 0.391321410000000, 0.885703660000000 ] mass: 30.973762 reduced_to: 34 - symbol: P # 35 coordinates: [ 0.328629150000000, 0.608678590000000, 0.385703660000000 ] mass: 30.973762 reduced_to: 35 - symbol: P # 36 coordinates: [ 0.328629150000000, 0.391321410000000, 0.114296340000000 ] mass: 30.973762 reduced_to: 36 - symbol: P # 37 coordinates: [ 0.641321410000000, 0.578629150000000, 0.364296340000000 ] mass: 30.973762 reduced_to: 37 - symbol: P # 38 coordinates: [ 0.885703660000000, 0.171370850000000, 0.391321410000000 ] mass: 30.973762 reduced_to: 38 - symbol: P # 39 coordinates: [ 0.358678590000000, 0.921370850000000, 0.364296340000000 ] mass: 30.973762 reduced_to: 39 - symbol: P # 40 coordinates: [ 0.135703660000000, 0.358678590000000, 0.078629150000000 ] mass: 30.973762 reduced_to: 40 - symbol: P # 41 coordinates: [ 0.921370850000000, 0.364296340000000, 0.358678590000000 ] mass: 30.973762 reduced_to: 41 - symbol: P # 42 coordinates: [ 0.108678590000000, 0.114296340000000, 0.671370850000000 ] mass: 30.973762 reduced_to: 42 - symbol: P # 43 coordinates: [ 0.391321410000000, 0.885703660000000, 0.171370850000000 ] mass: 30.973762 reduced_to: 43 - symbol: P # 44 coordinates: [ 0.141321410000000, 0.921370850000000, 0.635703660000000 ] mass: 30.973762 reduced_to: 44 - symbol: P # 45 coordinates: [ 0.114296340000000, 0.671370850000000, 0.108678590000000 ] mass: 30.973762 reduced_to: 45 - symbol: P # 46 coordinates: [ 0.364296340000000, 0.641321410000000, 0.578629150000000 ] mass: 30.973762 reduced_to: 46 - symbol: P # 47 coordinates: [ 0.578629150000000, 0.364296340000000, 0.641321410000000 ] mass: 30.973762 reduced_to: 47 - symbol: P # 48 coordinates: [ 0.635703660000000, 0.141321410000000, 0.921370850000000 ] mass: 30.973762 reduced_to: 48 - symbol: P # 49 coordinates: [ 0.364296340000000, 0.358678590000000, 0.921370850000000 ] mass: 30.973762 reduced_to: 49 - symbol: P # 50 coordinates: [ 0.114296340000000, 0.328629150000000, 0.391321410000000 ] mass: 30.973762 reduced_to: 50 - symbol: P # 51 coordinates: [ 0.385703660000000, 0.328629150000000, 0.608678590000000 ] mass: 30.973762 reduced_to: 51 - symbol: P # 52 coordinates: [ 0.358678590000000, 0.078629150000000, 0.135703660000000 ] mass: 30.973762 reduced_to: 52 - symbol: P # 53 coordinates: [ 0.921370850000000, 0.635703660000000, 0.141321410000000 ] mass: 30.973762 reduced_to: 53 - symbol: P # 54 coordinates: [ 0.608678590000000, 0.385703660000000, 0.328629150000000 ] mass: 30.973762 reduced_to: 54 - symbol: P # 55 coordinates: [ 0.671370850000000, 0.108678590000000, 0.114296340000000 ] mass: 30.973762 reduced_to: 55 - symbol: P # 56 coordinates: [ 0.078629150000000, 0.135703660000000, 0.358678590000000 ] mass: 30.973762 reduced_to: 56 - symbol: P # 57 coordinates: [ 0.891321410000000, 0.614296340000000, 0.828629150000000 ] mass: 30.973762 reduced_to: 33 - symbol: P # 58 coordinates: [ 0.671370850000000, 0.891321410000000, 0.385703660000000 ] mass: 30.973762 reduced_to: 34 - symbol: P # 59 coordinates: [ 0.828629150000000, 0.108678590000000, 0.885703660000000 ] mass: 30.973762 reduced_to: 35 - symbol: P # 60 coordinates: [ 0.828629150000000, 0.891321410000000, 0.614296340000000 ] mass: 30.973762 reduced_to: 36 - symbol: P # 61 coordinates: [ 0.141321410000000, 0.078629150000000, 0.864296340000000 ] mass: 30.973762 reduced_to: 37 - symbol: P # 62 coordinates: [ 0.385703660000000, 0.671370850000000, 0.891321410000000 ] mass: 30.973762 reduced_to: 38 - symbol: P # 63 coordinates: [ 0.858678590000000, 0.421370850000000, 0.864296340000000 ] mass: 30.973762 reduced_to: 39 - symbol: P # 64 coordinates: [ 0.635703660000000, 0.858678590000000, 0.578629150000000 ] mass: 30.973762 reduced_to: 40 - symbol: P # 65 coordinates: [ 0.421370850000000, 0.864296340000000, 0.858678590000000 ] mass: 30.973762 reduced_to: 41 - symbol: P # 66 coordinates: [ 0.608678590000000, 0.614296340000000, 0.171370850000000 ] mass: 30.973762 reduced_to: 42 - symbol: P # 67 coordinates: [ 0.891321410000000, 0.385703660000000, 0.671370850000000 ] mass: 30.973762 reduced_to: 43 - symbol: P # 68 coordinates: [ 0.641321410000000, 0.421370850000000, 0.135703660000000 ] mass: 30.973762 reduced_to: 44 - symbol: P # 69 coordinates: [ 0.614296340000000, 0.171370850000000, 0.608678590000000 ] mass: 30.973762 reduced_to: 45 - symbol: P # 70 coordinates: [ 0.864296340000000, 0.141321410000000, 0.078629150000000 ] mass: 30.973762 reduced_to: 46 - symbol: P # 71 coordinates: [ 0.078629150000000, 0.864296340000000, 0.141321410000000 ] mass: 30.973762 reduced_to: 47 - symbol: P # 72 coordinates: [ 0.135703660000000, 0.641321410000000, 0.421370850000000 ] mass: 30.973762 reduced_to: 48 - symbol: P # 73 coordinates: [ 0.864296340000000, 0.858678590000000, 0.421370850000000 ] mass: 30.973762 reduced_to: 49 - symbol: P # 74 coordinates: [ 0.614296340000000, 0.828629150000000, 0.891321410000000 ] mass: 30.973762 reduced_to: 50 - symbol: P # 75 coordinates: [ 0.885703660000000, 0.828629150000000, 0.108678590000000 ] mass: 30.973762 reduced_to: 51 - symbol: P # 76 coordinates: [ 0.858678590000000, 0.578629150000000, 0.635703660000000 ] mass: 30.973762 reduced_to: 52 - symbol: P # 77 coordinates: [ 0.421370850000000, 0.135703660000000, 0.641321410000000 ] mass: 30.973762 reduced_to: 53 - symbol: P # 78 coordinates: [ 0.108678590000000, 0.885703660000000, 0.828629150000000 ] mass: 30.973762 reduced_to: 54 - symbol: P # 79 coordinates: [ 0.171370850000000, 0.608678590000000, 0.614296340000000 ] mass: 30.973762 reduced_to: 55 - symbol: P # 80 coordinates: [ 0.578629150000000, 0.635703660000000, 0.858678590000000 ] mass: 30.973762 reduced_to: 56 - symbol: O # 81 coordinates: [ 0.831311060000000, 0.302567740000000, 0.665786480000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 82 coordinates: [ 0.098510240000000, 0.223377130000000, 0.422858390000000 ] mass: 15.999400 reduced_to: 82 - symbol: O # 83 coordinates: [ 0.665786480000000, 0.168688940000000, 0.197432260000000 ] mass: 15.999400 reduced_to: 83 - symbol: O # 84 coordinates: [ 0.864935500000000, 0.360432360000000, 0.273048250000000 ] mass: 15.999400 reduced_to: 84 - symbol: O # 85 coordinates: [ 0.973377130000000, 0.151489760000000, 0.327141610000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 86 coordinates: [ 0.635064500000000, 0.360432360000000, 0.726951750000000 ] mass: 15.999400 reduced_to: 86 - symbol: O # 87 coordinates: [ 0.889567640000000, 0.114935500000000, 0.476951750000000 ] mass: 15.999400 reduced_to: 87 - symbol: O # 88 coordinates: [ 0.077141610000000, 0.098510240000000, 0.776622870000000 ] mass: 15.999400 reduced_to: 88 - symbol: O # 89 coordinates: [ 0.476951750000000, 0.889567640000000, 0.114935500000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 90 coordinates: [ 0.348510240000000, 0.672858390000000, 0.473377130000000 ] mass: 15.999400 reduced_to: 90 - symbol: O # 91 coordinates: [ 0.418688940000000, 0.084213520000000, 0.052567740000000 ] mass: 15.999400 reduced_to: 91 - symbol: O # 92 coordinates: [ 0.139567640000000, 0.273048250000000, 0.135064500000000 ] mass: 15.999400 reduced_to: 92 - symbol: O # 93 coordinates: [ 0.864935500000000, 0.639567640000000, 0.226951750000000 ] mass: 15.999400 reduced_to: 93 - symbol: O # 94 coordinates: [ 0.168688940000000, 0.802567740000000, 0.834213520000000 ] mass: 15.999400 reduced_to: 94 - symbol: O # 95 coordinates: [ 0.523048250000000, 0.389567640000000, 0.385064500000000 ] mass: 15.999400 reduced_to: 95 - symbol: O # 96 coordinates: [ 0.614935500000000, 0.023048250000000, 0.110432360000000 ] mass: 15.999400 reduced_to: 96 - symbol: O # 97 coordinates: [ 0.084213520000000, 0.052567740000000, 0.418688940000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 98 coordinates: [ 0.348510240000000, 0.327141610000000, 0.026622870000000 ] mass: 15.999400 reduced_to: 98 - symbol: O # 99 coordinates: [ 0.052567740000000, 0.418688940000000, 0.084213520000000 ] mass: 15.999400 reduced_to: 99 - symbol: O # 100 coordinates: [ 0.168688940000000, 0.197432260000000, 0.665786480000000 ] mass: 15.999400 reduced_to: 100 - symbol: O # 101 coordinates: [ 0.802567740000000, 0.834213520000000, 0.168688940000000 ] mass: 15.999400 reduced_to: 101 - symbol: O # 102 coordinates: [ 0.197432260000000, 0.665786480000000, 0.168688940000000 ] mass: 15.999400 reduced_to: 102 - symbol: O # 103 coordinates: [ 0.473377130000000, 0.348510240000000, 0.672858390000000 ] mass: 15.999400 reduced_to: 103 - symbol: O # 104 coordinates: [ 0.776622870000000, 0.077141610000000, 0.098510240000000 ] mass: 15.999400 reduced_to: 104 - symbol: O # 105 coordinates: [ 0.915786480000000, 0.447432260000000, 0.418688940000000 ] mass: 15.999400 reduced_to: 105 - symbol: O # 106 coordinates: [ 0.447432260000000, 0.418688940000000, 0.915786480000000 ] mass: 15.999400 reduced_to: 106 - symbol: O # 107 coordinates: [ 0.422858390000000, 0.098510240000000, 0.223377130000000 ] mass: 15.999400 reduced_to: 107 - symbol: O # 108 coordinates: [ 0.385064500000000, 0.523048250000000, 0.389567640000000 ] mass: 15.999400 reduced_to: 108 - symbol: O # 109 coordinates: [ 0.947432260000000, 0.081311060000000, 0.084213520000000 ] mass: 15.999400 reduced_to: 109 - symbol: O # 110 coordinates: [ 0.639567640000000, 0.226951750000000, 0.864935500000000 ] mass: 15.999400 reduced_to: 110 - symbol: O # 111 coordinates: [ 0.360432360000000, 0.273048250000000, 0.864935500000000 ] mass: 15.999400 reduced_to: 111 - symbol: O # 112 coordinates: [ 0.834213520000000, 0.168688940000000, 0.802567740000000 ] mass: 15.999400 reduced_to: 112 - symbol: O # 113 coordinates: [ 0.223377130000000, 0.422858390000000, 0.098510240000000 ] mass: 15.999400 reduced_to: 113 - symbol: O # 114 coordinates: [ 0.331311060000000, 0.197432260000000, 0.334213520000000 ] mass: 15.999400 reduced_to: 114 - symbol: O # 115 coordinates: [ 0.415786480000000, 0.052567740000000, 0.581311060000000 ] mass: 15.999400 reduced_to: 115 - symbol: O # 116 coordinates: [ 0.172858390000000, 0.026622870000000, 0.651489760000000 ] mass: 15.999400 reduced_to: 116 - symbol: O # 117 coordinates: [ 0.665786480000000, 0.831311060000000, 0.302567740000000 ] mass: 15.999400 reduced_to: 117 - symbol: O # 118 coordinates: [ 0.651489760000000, 0.172858390000000, 0.026622870000000 ] mass: 15.999400 reduced_to: 118 - symbol: O # 119 coordinates: [ 0.389567640000000, 0.385064500000000, 0.523048250000000 ] mass: 15.999400 reduced_to: 119 - symbol: O # 120 coordinates: [ 0.276622870000000, 0.422858390000000, 0.901489760000000 ] mass: 15.999400 reduced_to: 120 - symbol: O # 121 coordinates: [ 0.726951750000000, 0.635064500000000, 0.360432360000000 ] mass: 15.999400 reduced_to: 121 - symbol: O # 122 coordinates: [ 0.026622870000000, 0.348510240000000, 0.327141610000000 ] mass: 15.999400 reduced_to: 122 - symbol: O # 123 coordinates: [ 0.151489760000000, 0.327141610000000, 0.973377130000000 ] mass: 15.999400 reduced_to: 123 - symbol: O # 124 coordinates: [ 0.052567740000000, 0.581311060000000, 0.415786480000000 ] mass: 15.999400 reduced_to: 124 - symbol: O # 125 coordinates: [ 0.401489760000000, 0.223377130000000, 0.577141610000000 ] mass: 15.999400 reduced_to: 125 - symbol: O # 126 coordinates: [ 0.114935500000000, 0.476951750000000, 0.889567640000000 ] mass: 15.999400 reduced_to: 126 - symbol: O # 127 coordinates: [ 0.385064500000000, 0.476951750000000, 0.110432360000000 ] mass: 15.999400 reduced_to: 127 - symbol: O # 128 coordinates: [ 0.334213520000000, 0.331311060000000, 0.197432260000000 ] mass: 15.999400 reduced_to: 128 - symbol: O # 129 coordinates: [ 0.577141610000000, 0.401489760000000, 0.223377130000000 ] mass: 15.999400 reduced_to: 129 - symbol: O # 130 coordinates: [ 0.360432360000000, 0.726951750000000, 0.635064500000000 ] mass: 15.999400 reduced_to: 130 - symbol: O # 131 coordinates: [ 0.226951750000000, 0.864935500000000, 0.639567640000000 ] mass: 15.999400 reduced_to: 131 - symbol: O # 132 coordinates: [ 0.110432360000000, 0.614935500000000, 0.023048250000000 ] mass: 15.999400 reduced_to: 132 - symbol: O # 133 coordinates: [ 0.327141610000000, 0.973377130000000, 0.151489760000000 ] mass: 15.999400 reduced_to: 133 - symbol: O # 134 coordinates: [ 0.223377130000000, 0.577141610000000, 0.401489760000000 ] mass: 15.999400 reduced_to: 134 - symbol: O # 135 coordinates: [ 0.422858390000000, 0.901489760000000, 0.276622870000000 ] mass: 15.999400 reduced_to: 135 - symbol: O # 136 coordinates: [ 0.197432260000000, 0.334213520000000, 0.331311060000000 ] mass: 15.999400 reduced_to: 136 - symbol: O # 137 coordinates: [ 0.418688940000000, 0.915786480000000, 0.447432260000000 ] mass: 15.999400 reduced_to: 137 - symbol: O # 138 coordinates: [ 0.098510240000000, 0.776622870000000, 0.077141610000000 ] mass: 15.999400 reduced_to: 138 - symbol: O # 139 coordinates: [ 0.081311060000000, 0.084213520000000, 0.947432260000000 ] mass: 15.999400 reduced_to: 139 - symbol: O # 140 coordinates: [ 0.273048250000000, 0.864935500000000, 0.360432360000000 ] mass: 15.999400 reduced_to: 140 - symbol: O # 141 coordinates: [ 0.273048250000000, 0.135064500000000, 0.139567640000000 ] mass: 15.999400 reduced_to: 141 - symbol: O # 142 coordinates: [ 0.901489760000000, 0.276622870000000, 0.422858390000000 ] mass: 15.999400 reduced_to: 142 - symbol: O # 143 coordinates: [ 0.026622870000000, 0.651489760000000, 0.172858390000000 ] mass: 15.999400 reduced_to: 143 - symbol: O # 144 coordinates: [ 0.476951750000000, 0.110432360000000, 0.385064500000000 ] mass: 15.999400 reduced_to: 144 - symbol: O # 145 coordinates: [ 0.581311060000000, 0.415786480000000, 0.052567740000000 ] mass: 15.999400 reduced_to: 145 - symbol: O # 146 coordinates: [ 0.135064500000000, 0.139567640000000, 0.273048250000000 ] mass: 15.999400 reduced_to: 146 - symbol: O # 147 coordinates: [ 0.327141610000000, 0.026622870000000, 0.348510240000000 ] mass: 15.999400 reduced_to: 147 - symbol: O # 148 coordinates: [ 0.084213520000000, 0.947432260000000, 0.081311060000000 ] mass: 15.999400 reduced_to: 148 - symbol: O # 149 coordinates: [ 0.672858390000000, 0.473377130000000, 0.348510240000000 ] mass: 15.999400 reduced_to: 149 - symbol: O # 150 coordinates: [ 0.023048250000000, 0.110432360000000, 0.614935500000000 ] mass: 15.999400 reduced_to: 150 - symbol: O # 151 coordinates: [ 0.110432360000000, 0.385064500000000, 0.476951750000000 ] mass: 15.999400 reduced_to: 151 - symbol: O # 152 coordinates: [ 0.302567740000000, 0.665786480000000, 0.831311060000000 ] mass: 15.999400 reduced_to: 152 - symbol: O # 153 coordinates: [ 0.331311060000000, 0.802567740000000, 0.165786480000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 154 coordinates: [ 0.598510240000000, 0.723377130000000, 0.922858390000000 ] mass: 15.999400 reduced_to: 82 - symbol: O # 155 coordinates: [ 0.165786480000000, 0.668688940000000, 0.697432260000000 ] mass: 15.999400 reduced_to: 83 - symbol: O # 156 coordinates: [ 0.364935500000000, 0.860432360000000, 0.773048250000000 ] mass: 15.999400 reduced_to: 84 - symbol: O # 157 coordinates: [ 0.473377130000000, 0.651489760000000, 0.827141610000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 158 coordinates: [ 0.135064500000000, 0.860432360000000, 0.226951750000000 ] mass: 15.999400 reduced_to: 86 - symbol: O # 159 coordinates: [ 0.389567640000000, 0.614935500000000, 0.976951750000000 ] mass: 15.999400 reduced_to: 87 - symbol: O # 160 coordinates: [ 0.577141610000000, 0.598510240000000, 0.276622870000000 ] mass: 15.999400 reduced_to: 88 - symbol: O # 161 coordinates: [ 0.976951750000000, 0.389567640000000, 0.614935500000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 162 coordinates: [ 0.848510240000000, 0.172858390000000, 0.973377130000000 ] mass: 15.999400 reduced_to: 90 - symbol: O # 163 coordinates: [ 0.918688940000000, 0.584213520000000, 0.552567740000000 ] mass: 15.999400 reduced_to: 91 - symbol: O # 164 coordinates: [ 0.639567640000000, 0.773048250000000, 0.635064500000000 ] mass: 15.999400 reduced_to: 92 - symbol: O # 165 coordinates: [ 0.364935500000000, 0.139567640000000, 0.726951750000000 ] mass: 15.999400 reduced_to: 93 - symbol: O # 166 coordinates: [ 0.668688940000000, 0.302567740000000, 0.334213520000000 ] mass: 15.999400 reduced_to: 94 - symbol: O # 167 coordinates: [ 0.023048250000000, 0.889567640000000, 0.885064500000000 ] mass: 15.999400 reduced_to: 95 - symbol: O # 168 coordinates: [ 0.114935500000000, 0.523048250000000, 0.610432360000000 ] mass: 15.999400 reduced_to: 96 - symbol: O # 169 coordinates: [ 0.584213520000000, 0.552567740000000, 0.918688940000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 170 coordinates: [ 0.848510240000000, 0.827141610000000, 0.526622870000000 ] mass: 15.999400 reduced_to: 98 - symbol: O # 171 coordinates: [ 0.552567740000000, 0.918688940000000, 0.584213520000000 ] mass: 15.999400 reduced_to: 99 - symbol: O # 172 coordinates: [ 0.668688940000000, 0.697432260000000, 0.165786480000000 ] mass: 15.999400 reduced_to: 100 - symbol: O # 173 coordinates: [ 0.302567740000000, 0.334213520000000, 0.668688940000000 ] mass: 15.999400 reduced_to: 101 - symbol: O # 174 coordinates: [ 0.697432260000000, 0.165786480000000, 0.668688940000000 ] mass: 15.999400 reduced_to: 102 - symbol: O # 175 coordinates: [ 0.973377130000000, 0.848510240000000, 0.172858390000000 ] mass: 15.999400 reduced_to: 103 - symbol: O # 176 coordinates: [ 0.276622870000000, 0.577141610000000, 0.598510240000000 ] mass: 15.999400 reduced_to: 104 - symbol: O # 177 coordinates: [ 0.415786480000000, 0.947432260000000, 0.918688940000000 ] mass: 15.999400 reduced_to: 105 - symbol: O # 178 coordinates: [ 0.947432260000000, 0.918688940000000, 0.415786480000000 ] mass: 15.999400 reduced_to: 106 - symbol: O # 179 coordinates: [ 0.922858390000000, 0.598510240000000, 0.723377130000000 ] mass: 15.999400 reduced_to: 107 - symbol: O # 180 coordinates: [ 0.885064500000000, 0.023048250000000, 0.889567640000000 ] mass: 15.999400 reduced_to: 108 - symbol: O # 181 coordinates: [ 0.447432260000000, 0.581311060000000, 0.584213520000000 ] mass: 15.999400 reduced_to: 109 - symbol: O # 182 coordinates: [ 0.139567640000000, 0.726951750000000, 0.364935500000000 ] mass: 15.999400 reduced_to: 110 - symbol: O # 183 coordinates: [ 0.860432360000000, 0.773048250000000, 0.364935500000000 ] mass: 15.999400 reduced_to: 111 - symbol: O # 184 coordinates: [ 0.334213520000000, 0.668688940000000, 0.302567740000000 ] mass: 15.999400 reduced_to: 112 - symbol: O # 185 coordinates: [ 0.723377130000000, 0.922858390000000, 0.598510240000000 ] mass: 15.999400 reduced_to: 113 - symbol: O # 186 coordinates: [ 0.831311060000000, 0.697432260000000, 0.834213520000000 ] mass: 15.999400 reduced_to: 114 - symbol: O # 187 coordinates: [ 0.915786480000000, 0.552567740000000, 0.081311060000000 ] mass: 15.999400 reduced_to: 115 - symbol: O # 188 coordinates: [ 0.672858390000000, 0.526622870000000, 0.151489760000000 ] mass: 15.999400 reduced_to: 116 - symbol: O # 189 coordinates: [ 0.165786480000000, 0.331311060000000, 0.802567740000000 ] mass: 15.999400 reduced_to: 117 - symbol: O # 190 coordinates: [ 0.151489760000000, 0.672858390000000, 0.526622870000000 ] mass: 15.999400 reduced_to: 118 - symbol: O # 191 coordinates: [ 0.889567640000000, 0.885064500000000, 0.023048250000000 ] mass: 15.999400 reduced_to: 119 - symbol: O # 192 coordinates: [ 0.776622870000000, 0.922858390000000, 0.401489760000000 ] mass: 15.999400 reduced_to: 120 - symbol: O # 193 coordinates: [ 0.226951750000000, 0.135064500000000, 0.860432360000000 ] mass: 15.999400 reduced_to: 121 - symbol: O # 194 coordinates: [ 0.526622870000000, 0.848510240000000, 0.827141610000000 ] mass: 15.999400 reduced_to: 122 - symbol: O # 195 coordinates: [ 0.651489760000000, 0.827141610000000, 0.473377130000000 ] mass: 15.999400 reduced_to: 123 - symbol: O # 196 coordinates: [ 0.552567740000000, 0.081311060000000, 0.915786480000000 ] mass: 15.999400 reduced_to: 124 - symbol: O # 197 coordinates: [ 0.901489760000000, 0.723377130000000, 0.077141610000000 ] mass: 15.999400 reduced_to: 125 - symbol: O # 198 coordinates: [ 0.614935500000000, 0.976951750000000, 0.389567640000000 ] mass: 15.999400 reduced_to: 126 - symbol: O # 199 coordinates: [ 0.885064500000000, 0.976951750000000, 0.610432360000000 ] mass: 15.999400 reduced_to: 127 - symbol: O # 200 coordinates: [ 0.834213520000000, 0.831311060000000, 0.697432260000000 ] mass: 15.999400 reduced_to: 128 - symbol: O # 201 coordinates: [ 0.077141610000000, 0.901489760000000, 0.723377130000000 ] mass: 15.999400 reduced_to: 129 - symbol: O # 202 coordinates: [ 0.860432360000000, 0.226951750000000, 0.135064500000000 ] mass: 15.999400 reduced_to: 130 - symbol: O # 203 coordinates: [ 0.726951750000000, 0.364935500000000, 0.139567640000000 ] mass: 15.999400 reduced_to: 131 - symbol: O # 204 coordinates: [ 0.610432360000000, 0.114935500000000, 0.523048250000000 ] mass: 15.999400 reduced_to: 132 - symbol: O # 205 coordinates: [ 0.827141610000000, 0.473377130000000, 0.651489760000000 ] mass: 15.999400 reduced_to: 133 - symbol: O # 206 coordinates: [ 0.723377130000000, 0.077141610000000, 0.901489760000000 ] mass: 15.999400 reduced_to: 134 - symbol: O # 207 coordinates: [ 0.922858390000000, 0.401489760000000, 0.776622870000000 ] mass: 15.999400 reduced_to: 135 - symbol: O # 208 coordinates: [ 0.697432260000000, 0.834213520000000, 0.831311060000000 ] mass: 15.999400 reduced_to: 136 - symbol: O # 209 coordinates: [ 0.918688940000000, 0.415786480000000, 0.947432260000000 ] mass: 15.999400 reduced_to: 137 - symbol: O # 210 coordinates: [ 0.598510240000000, 0.276622870000000, 0.577141610000000 ] mass: 15.999400 reduced_to: 138 - symbol: O # 211 coordinates: [ 0.581311060000000, 0.584213520000000, 0.447432260000000 ] mass: 15.999400 reduced_to: 139 - symbol: O # 212 coordinates: [ 0.773048250000000, 0.364935500000000, 0.860432360000000 ] mass: 15.999400 reduced_to: 140 - symbol: O # 213 coordinates: [ 0.773048250000000, 0.635064500000000, 0.639567640000000 ] mass: 15.999400 reduced_to: 141 - symbol: O # 214 coordinates: [ 0.401489760000000, 0.776622870000000, 0.922858390000000 ] mass: 15.999400 reduced_to: 142 - symbol: O # 215 coordinates: [ 0.526622870000000, 0.151489760000000, 0.672858390000000 ] mass: 15.999400 reduced_to: 143 - symbol: O # 216 coordinates: [ 0.976951750000000, 0.610432360000000, 0.885064500000000 ] mass: 15.999400 reduced_to: 144 - symbol: O # 217 coordinates: [ 0.081311060000000, 0.915786480000000, 0.552567740000000 ] mass: 15.999400 reduced_to: 145 - symbol: O # 218 coordinates: [ 0.635064500000000, 0.639567640000000, 0.773048250000000 ] mass: 15.999400 reduced_to: 146 - symbol: O # 219 coordinates: [ 0.827141610000000, 0.526622870000000, 0.848510240000000 ] mass: 15.999400 reduced_to: 147 - symbol: O # 220 coordinates: [ 0.584213520000000, 0.447432260000000, 0.581311060000000 ] mass: 15.999400 reduced_to: 148 - symbol: O # 221 coordinates: [ 0.172858390000000, 0.973377130000000, 0.848510240000000 ] mass: 15.999400 reduced_to: 149 - symbol: O # 222 coordinates: [ 0.523048250000000, 0.610432360000000, 0.114935500000000 ] mass: 15.999400 reduced_to: 150 - symbol: O # 223 coordinates: [ 0.610432360000000, 0.885064500000000, 0.976951750000000 ] mass: 15.999400 reduced_to: 151 - symbol: O # 224 coordinates: [ 0.802567740000000, 0.165786480000000, 0.331311060000000 ] mass: 15.999400 reduced_to: 152displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0229919900000000, -0.0072134500000000, 0.0072176900000000 ] - [ -0.0001795600000000, 0.0000747400000000, -0.0000183200000000 ] - [ 0.0001700100000000, 0.0003091500000000, -0.0003749400000000 ] - [ -0.0000646500000000, 0.0001565400000000, 0.0001030600000000 ] - [ 0.0003499100000000, -0.0008571800000000, -0.0000778100000000 ] - [ 0.0000571100000000, 0.0000778900000000, 0.0000613400000000 ] - [ 0.0002951900000000, -0.0000477800000000, 0.0001558900000000 ] - [ 0.0004298900000000, -0.0000810500000000, -0.0001480700000000 ] - [ 0.0001369800000000, 0.0000596800000000, -0.0000592200000000 ] - [ 0.0004307500000000, -0.0000771100000000, -0.0000185400000000 ] - [ 0.0001680100000000, 0.0003092700000000, -0.0003759300000000 ] - [ -0.0001103900000000, 0.0000721300000000, 0.0008605100000000 ] - [ -0.0000875100000000, -0.0001046600000000, -0.0000471300000000 ] - [ 0.0000588500000000, -0.0000744300000000, 0.0001473100000000 ] - [ -0.0002897000000000, -0.0000778600000000, 0.0000718900000000 ] - [ -0.0001801000000000, -0.0000808100000000, -0.0000614800000000 ] - [ -0.0001310200000000, 0.0049851200000000, -0.0051073400000000 ] - [ 0.0012985900000000, -0.0012415300000000, 0.0008158000000000 ] - [ 0.0019205100000000, -0.0006331600000000, 0.0005078800000000 ] - [ -0.0007693700000000, 0.0001053100000000, 0.0003393900000000 ] - [ -0.0001471000000000, -0.0003537000000000, -0.0000011100000000 ] - [ 0.0004378400000000, -0.0000020400000000, -0.0001647700000000 ] - [ 0.0001707000000000, -0.0000092100000000, -0.0000050200000000 ] - [ 0.0006218900000000, 0.0004343300000000, 0.0001392400000000 ] - [ 0.0001741500000000, -0.0000170100000000, 0.0000115700000000 ] - [ -0.0002083700000000, -0.0000359700000000, -0.0000582400000000 ] - [ -0.0002567400000000, 0.0000222500000000, 0.0000922200000000 ] - [ 0.0004322300000000, 0.0004330000000000, 0.0003087300000000 ] - [ 0.0003577500000000, -0.0001863700000000, -0.0001673300000000 ] - [ -0.0003957800000000, -0.0000650800000000, -0.0001351600000000 ] - [ -0.0001325700000000, 0.0049678700000000, -0.0051199200000000 ] - [ -0.0004353600000000, -0.0000851800000000, -0.0001460500000000 ] - [ 0.0114683100000000, 0.0010678700000000, 0.0056209500000000 ] - [ 0.0001860800000000, 0.0003253900000000, -0.0005909400000000 ] - [ 0.0005218700000000, -0.0002431300000000, -0.0007284300000000 ] - [ 0.0004667100000000, -0.0002313400000000, 0.0012314600000000 ] - [ -0.0002030700000000, 0.0003499200000000, 0.0007917300000000 ] - [ 0.0112761500000000, 0.0015190000000000, 0.0048196200000000 ] - [ 0.0003078200000000, 0.0032249900000000, 0.0007124800000000 ] - [ 0.0000621300000000, -0.0004195000000000, 0.0001348700000000 ] - [ 0.0016845700000000, 0.0036914600000000, -0.0012342800000000 ] - [ 0.0006210600000000, 0.0006277800000000, 0.0003351000000000 ] - [ 0.0003125500000000, 0.0006636000000000, 0.0010841500000000 ] - [ 0.0010063500000000, -0.0002992000000000, -0.0003521000000000 ] - [ 0.0010540900000000, -0.0001072900000000, -0.0003378100000000 ] - [ 0.0007638700000000, 0.0005215000000000, -0.0000171800000000 ] - [ -0.0003763600000000, 0.0000084900000000, -0.0000104400000000 ] - [ -0.0013583800000000, 0.0002114600000000, -0.0006530400000000 ] - [ 0.0006204300000000, -0.0006711900000000, 0.0000354500000000 ] - [ 0.0027606200000000, 0.0006638200000000, 0.0003277100000000 ] - [ -0.0002836800000000, -0.0008597200000000, -0.0011129600000000 ] - [ 0.0016473600000000, 0.0009171000000000, 0.0028980500000000 ] - [ 0.0001197600000000, -0.0005124800000000, 0.0003077300000000 ] - [ -0.0033445300000000, -0.0009524200000000, 0.0008408500000000 ] - [ -0.0021082200000000, -0.0015183600000000, -0.0013162300000000 ] - [ 0.0042407300000000, -0.0008726200000000, -0.0003445400000000 ] - [ 0.0004002400000000, 0.0006719600000000, 0.0002446600000000 ] - [ -0.0035488400000000, -0.0003789400000000, -0.0004011000000000 ] - [ -0.0001397200000000, -0.0006620600000000, -0.0010532800000000 ] - [ -0.0006427600000000, -0.0001345200000000, 0.0010841000000000 ] - [ 0.0009061600000000, 0.0002129900000000, 0.0006819600000000 ] - [ -0.0005921000000000, -0.0000101600000000, 0.0004812100000000 ] - [ -0.0005195700000000, -0.0000442400000000, 0.0006478600000000 ] - [ -0.0020591400000000, -0.0001313700000000, 0.0000268200000000 ] - [ -0.0002840300000000, 0.0008345200000000, -0.0002806700000000 ] - [ -0.0007557400000000, 0.0007728900000000, -0.0001701200000000 ] - [ 0.0003252500000000, -0.0002670500000000, 0.0002754100000000 ] - [ -0.0006610600000000, 0.0003207200000000, -0.0006075900000000 ] - [ -0.0011629100000000, -0.0010759400000000, -0.0017716300000000 ] - [ 0.0008708700000000, -0.0004378400000000, -0.0014741600000000 ] - [ 0.0008123600000000, 0.0004940600000000, 0.0005121500000000 ] - [ 0.0000087300000000, 0.0006263900000000, -0.0002425700000000 ] - [ 0.0009425000000000, -0.0016397200000000, 0.0002150000000000 ] - [ 0.0002477000000000, 0.0002185700000000, 0.0004051100000000 ] - [ -0.0003662200000000, -0.0000520300000000, -0.0005076400000000 ] - [ -0.0005226100000000, 0.0003437700000000, -0.0003577200000000 ] - [ -0.0001787600000000, -0.0012606500000000, -0.0012029200000000 ] - [ -0.0000871100000000, -0.0006396300000000, 0.0001994700000000 ] - [ 0.0002726000000000, -0.0002699400000000, 0.0005929400000000 ] - [ -0.0000529100000000, -0.0005402700000000, -0.0003749800000000 ] - [ -0.0000483400000000, -0.0003653400000000, -0.0006085300000000 ] - [ -0.0009054400000000, 0.0000893600000000, 0.0001021000000000 ] - [ 0.0021641300000000, 0.0008040300000000, 0.0004485500000000 ] - [ -0.0007755800000000, -0.0008157100000000, 0.0004320900000000 ] - [ -0.0044076500000000, 0.0005081400000000, -0.0000979100000000 ] - [ 0.0004953200000000, 0.0004402400000000, 0.0000765100000000 ] - [ -0.0030109300000000, 0.0007934300000000, -0.0023035900000000 ] - [ -0.0004952200000000, 0.0000757500000000, -0.0009242500000000 ] - [ 0.0001431000000000, -0.0005540000000000, -0.0006420100000000 ] - [ -0.0000126000000000, 0.0001749400000000, 0.0007416800000000 ] - [ 0.0004046300000000, 0.0001124900000000, -0.0013485200000000 ] - [ -0.0007175700000000, 0.0002680700000000, 0.0002203300000000 ] - [ -0.0002588100000000, -0.0003983200000000, -0.0001042700000000 ] - [ 0.0000547300000000, -0.0001898600000000, 0.0003229500000000 ] - [ 0.0015334600000000, 0.0001420600000000, -0.0002152500000000 ] - [ 0.0008065700000000, 0.0009799500000000, 0.0005509300000000 ] - [ -0.0007709300000000, 0.0001338100000000, 0.0001479600000000 ] - [ 0.0000370000000000, -0.0001269800000000, -0.0008905100000000 ] - [ -0.0005539900000000, 0.0002624800000000, 0.0003786800000000 ] - [ -0.0002654000000000, 0.0000872700000000, -0.0004572100000000 ] - [ -0.0002582000000000, 0.0004748500000000, 0.0002885900000000 ] - [ -0.0000055900000000, -0.0003858000000000, 0.0000812200000000 ] - [ 0.0009594800000000, 0.0002922900000000, 0.0004321900000000 ] - [ -0.0001034600000000, -0.0002304600000000, 0.0004550800000000 ] - [ -0.0006848300000000, -0.0007563800000000, -0.0001946200000000 ] - [ 0.0003295200000000, 0.0002762000000000, -0.0003196200000000 ] - [ -0.0017954500000000, -0.0005369400000000, -0.0029988300000000 ] - [ 0.0001589000000000, 0.0002858600000000, -0.0003567600000000 ] - [ -0.0000616800000000, 0.0001793200000000, 0.0007317900000000 ] - [ -0.0002009100000000, -0.0002542500000000, -0.0000214800000000 ] - [ 0.0003436100000000, 0.0003248800000000, -0.0001911900000000 ] - [ 0.0004636200000000, 0.0001584800000000, -0.0001290900000000 ] - [ 0.0001848900000000, 0.0002961500000000, -0.0000998700000000 ] - [ -0.0034349500000000, 0.0018893700000000, -0.0011263900000000 ] - [ -0.0005518700000000, 0.0000002400000000, 0.0010208000000000 ] - [ -0.0000685500000000, -0.0005346000000000, -0.0001179300000000 ] - [ 0.0004090200000000, -0.0005077800000000, -0.0003445400000000 ] - [ 0.0002867000000000, 0.0003271900000000, 0.0003425800000000 ] - [ -0.0004185800000000, 0.0005534900000000, 0.0003874800000000 ] - [ -0.0008696100000000, 0.0003264200000000, -0.0001156900000000 ] - [ 0.0000280200000000, 0.0002073800000000, 0.0003440400000000 ] - [ -0.0021719700000000, -0.0001875000000000, -0.0002593400000000 ] - [ -0.0001900800000000, -0.0002480400000000, 0.0006847700000000 ] - [ -0.0005914200000000, -0.0004648700000000, -0.0002821700000000 ] - [ -0.0002238300000000, 0.0012279700000000, 0.0002932800000000 ] - [ -0.0003542200000000, -0.0001401200000000, -0.0003485200000000 ] - [ 0.0003185600000000, 0.0000145100000000, 0.0002075700000000 ] - [ 0.0001289500000000, 0.0003753500000000, -0.0002250000000000 ] - [ 0.0004909700000000, -0.0003858300000000, 0.0008157900000000 ] - [ 0.0002871500000000, -0.0002746500000000, 0.0002941800000000 ] - [ -0.0005489100000000, -0.0001359400000000, -0.0003771200000000 ] - [ 0.0002434700000000, -0.0002449700000000, 0.0001864200000000 ] - [ -0.0004816000000000, -0.0001678400000000, -0.0005729600000000 ] - [ 0.0002659500000000, -0.0002638500000000, 0.0000181200000000 ] - [ 0.0002116700000000, -0.0008096100000000, -0.0014685100000000 ] - [ -0.0008363200000000, 0.0005222900000000, 0.0002249900000000 ] - [ -0.0001495000000000, -0.0014479000000000, 0.0004358800000000 ] - [ -0.0000880500000000, -0.0006079500000000, -0.0002743300000000 ] - [ -0.0004534500000000, 0.0002866000000000, 0.0003224300000000 ] - [ -0.0006191100000000, -0.0011665100000000, 0.0002104800000000 ] - [ -0.0008497500000000, 0.0004150400000000, -0.0010360100000000 ] - [ -0.0021576300000000, -0.0039649600000000, -0.0002557600000000 ] - [ -0.0009368900000000, -0.0001075800000000, 0.0003021400000000 ] - [ 0.0019563300000000, -0.0001763300000000, -0.0002852900000000 ] - [ 0.0001859400000000, -0.0004159500000000, -0.0000869900000000 ] - [ -0.0014266500000000, -0.0005507900000000, 0.0009312600000000 ] - [ -0.0027493600000000, -0.0037110600000000, -0.0003983100000000 ] - [ 0.0000649500000000, 0.0003364000000000, -0.0002666300000000 ] - [ 0.0007529700000000, 0.0002510800000000, -0.0000614100000000 ] - [ -0.0004932400000000, 0.0003084800000000, -0.0007993800000000 ] - [ -0.0000935200000000, 0.0000875000000000, -0.0003003400000000 ] - [ -0.0003019000000000, -0.0003419300000000, -0.0002115300000000 ] - [ -0.0004358600000000, -0.0007469100000000, -0.0005217900000000 ] - [ 0.0001292000000000, 0.0006265600000000, 0.0002531600000000 ] - [ -0.0004361700000000, 0.0001466300000000, 0.0002366600000000 ] - [ -0.0002739300000000, 0.0002716800000000, 0.0002134100000000 ] - [ 0.0007685900000000, -0.0001001900000000, -0.0002753100000000 ] - [ -0.0001751800000000, 0.0004322700000000, -0.0003764500000000 ] - [ -0.0003543300000000, -0.0002374500000000, -0.0002454000000000 ] - [ -0.0000836200000000, -0.0000017200000000, -0.0006349300000000 ] - [ -0.0002216900000000, -0.0004693700000000, -0.0004402400000000 ] - [ 0.0001687600000000, 0.0004460500000000, 0.0014158000000000 ] - [ 0.0002410800000000, 0.0002073700000000, -0.0004127400000000 ] - [ -0.0000358300000000, 0.0000664800000000, 0.0003313100000000 ] - [ -0.0005495300000000, -0.0001488000000000, 0.0003855900000000 ] - [ 0.0032456900000000, 0.0002683200000000, -0.0001574900000000 ] - [ 0.0000657200000000, -0.0003406800000000, 0.0002542200000000 ] - [ -0.0004237400000000, 0.0000628300000000, 0.0003019800000000 ] - [ 0.0003896500000000, -0.0002744300000000, 0.0002125800000000 ] - [ 0.0001955400000000, -0.0000997000000000, -0.0010574600000000 ] - [ 0.0004330500000000, -0.0003309700000000, 0.0005762800000000 ] - [ 0.0003380900000000, 0.0002233900000000, -0.0002996200000000 ] - [ -0.0005729100000000, 0.0004700300000000, 0.0004308200000000 ] - [ 0.0013322100000000, 0.0000462200000000, 0.0008935600000000 ] - [ 0.0003124200000000, 0.0000788700000000, 0.0002891600000000 ] - [ -0.0009316700000000, -0.0002984200000000, 0.0001140500000000 ] - [ -0.0002827900000000, 0.0001047400000000, 0.0000187800000000 ] - [ 0.0002016800000000, 0.0008011000000000, -0.0003725900000000 ] - [ 0.0002452200000000, 0.0000069200000000, 0.0005282200000000 ] - [ 0.0002313800000000, 0.0002998600000000, -0.0002677100000000 ] - [ 0.0002388900000000, -0.0001435200000000, 0.0003580400000000 ] - [ -0.0006510000000000, -0.0003945400000000, -0.0000961800000000 ] - [ 0.0004066600000000, 0.0006650800000000, -0.0000266300000000 ] - [ 0.0002427200000000, 0.0000155300000000, -0.0001864600000000 ] - [ 0.0014941700000000, 0.0004682400000000, 0.0000451700000000 ] - [ -0.0001484500000000, 0.0002234900000000, 0.0002885100000000 ] - [ -0.0004131300000000, -0.0003019000000000, -0.0001267300000000 ] - [ 0.0004819100000000, -0.0009197500000000, -0.0000965200000000 ] - [ -0.0004577400000000, -0.0001634500000000, -0.0002373800000000 ] - [ -0.0002047200000000, 0.0002106600000000, -0.0006678300000000 ] - [ -0.0004149300000000, 0.0003004400000000, 0.0002456200000000 ] - [ 0.0005039400000000, 0.0011418000000000, -0.0001417100000000 ] - [ -0.0005146300000000, 0.0001270600000000, 0.0003639000000000 ] - [ -0.0004382400000000, -0.0000155300000000, -0.0002319300000000 ] - [ 0.0005438300000000, -0.0005939100000000, 0.0006081400000000 ] - [ 0.0001690400000000, -0.0000127000000000, -0.0002862900000000 ] - [ -0.0001377800000000, 0.0007182000000000, -0.0002291600000000 ] - [ 0.0028115000000000, 0.0002505400000000, -0.0008551900000000 ] - [ 0.0004697100000000, 0.0003350900000000, -0.0000295300000000 ] - [ 0.0005329700000000, 0.0000440600000000, 0.0000273800000000 ] - [ -0.0003945400000000, -0.0000260300000000, 0.0005815000000000 ] - [ 0.0000454100000000, 0.0001294200000000, 0.0014205200000000 ] - [ 0.0004203100000000, -0.0007180400000000, -0.0001031600000000 ] - [ 0.0028582700000000, 0.0002921600000000, 0.0002236100000000 ] - [ -0.0001930100000000, 0.0004795600000000, -0.0001136800000000 ] - [ 0.0009958000000000, -0.0002155400000000, 0.0000564700000000 ] - [ 0.0002714300000000, -0.0001374200000000, -0.0008599600000000 ] - [ 0.0004270000000000, 0.0003052800000000, -0.0002654400000000 ] - [ 0.0001575900000000, -0.0003795000000000, 0.0002786200000000 ] - [ 0.0003670900000000, -0.0000939600000000, 0.0001398300000000 ] - [ 0.0000902700000000, 0.0003655000000000, 0.0000761900000000 ] - [ 0.0003132300000000, -0.0002385600000000, 0.0003829600000000 ] - [ 0.0003566800000000, 0.0001486800000000, -0.0004324400000000 ] - [ -0.0000556300000000, -0.0007869300000000, 0.0002227900000000 ] - [ -0.0002113400000000, 0.0001605200000000, 0.0004341500000000 ] - [ -0.0002553400000000, 0.0003588000000000, 0.0002037200000000 ] - [ -0.0005654900000000, -0.0001628800000000, -0.0004703100000000 ] - [ 0.0003192000000000, -0.0003672200000000, 0.0001750200000000 ] - [ -0.0002359600000000, -0.0007279200000000, 0.0000454100000000 ] - [ 0.0005029400000000, 0.0004385700000000, -0.0001562100000000 ] - [ 0.0001143000000000, 0.0006338800000000, 0.0000355800000000 ] - [ 0.0004020800000000, 0.0003261100000000, -0.0001707200000000 ] - [ 0.0005401500000000, 0.0001967200000000, -0.0002529200000000 ] - [ 0.0025884100000000, -0.0010859000000000, -0.0009963900000000 ]- atom: 1 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0231515800000000, 0.0073556500000000, -0.0073502400000000 ] - [ 0.0000590700000000, 0.0000471600000000, 0.0001388500000000 ] - [ -0.0000468200000000, -0.0001880200000000, 0.0002555700000000 ] - [ -0.0000552800000000, -0.0000346300000000, 0.0000163200000000 ] - [ -0.0004721200000000, 0.0007392600000000, -0.0000420700000000 ] - [ 0.0000630000000000, -0.0001980100000000, 0.0000582900000000 ] - [ -0.0001731600000000, -0.0000731700000000, -0.0000349600000000 ] - [ -0.0005533700000000, -0.0000412700000000, 0.0000275800000000 ] - [ -0.0000163900000000, 0.0000609400000000, -0.0000605100000000 ] - [ -0.0005527500000000, 0.0001987800000000, 0.0001387200000000 ] - [ -0.0000488500000000, -0.0001879600000000, 0.0002546200000000 ] - [ -0.0000132700000000, 0.0000502000000000, -0.0007361000000000 ] - [ -0.0000361700000000, -0.0000179700000000, -0.0000726200000000 ] - [ 0.0000647800000000, -0.0000466900000000, -0.0000282700000000 ] - [ 0.0004127500000000, -0.0000417400000000, 0.0000498800000000 ] - [ 0.0000586700000000, -0.0000410500000000, -0.0000583700000000 ] - [ 0.0000320400000000, -0.0050280000000000, 0.0051501000000000 ] - [ -0.0012266100000000, 0.0011604400000000, -0.0008854100000000 ] - [ -0.0018521400000000, 0.0007088600000000, -0.0004377200000000 ] - [ 0.0007052100000000, -0.0000349400000000, -0.0004138700000000 ] - [ 0.0002248400000000, 0.0004245000000000, 0.0000742000000000 ] - [ -0.0005103000000000, 0.0000718800000000, 0.0000899800000000 ] - [ -0.0002450700000000, -0.0000620700000000, 0.0000776000000000 ] - [ -0.0005498900000000, -0.0005059200000000, -0.0002168500000000 ] - [ -0.0002444100000000, -0.0000532900000000, 0.0000653000000000 ] - [ 0.0002837700000000, -0.0000359900000000, -0.0000148000000000 ] - [ 0.0003274100000000, 0.0000512400000000, -0.0000180800000000 ] - [ -0.0005079200000000, -0.0003618900000000, -0.0003806400000000 ] - [ -0.0002876900000000, 0.0002613700000000, 0.0002421900000000 ] - [ 0.0003163900000000, 0.0001365100000000, 0.0000616500000000 ] - [ 0.0000922200000000, -0.0050670800000000, 0.0052258500000000 ] - [ 0.0005037800000000, 0.0000097300000000, 0.0000697700000000 ] - [ -0.0107820000000000, 0.0000910800000000, -0.0053275700000000 ] - [ -0.0004770000000000, 0.0004346500000000, -0.0005899400000000 ] - [ -0.0002286100000000, -0.0005197400000000, -0.0004485300000000 ] - [ -0.0001784200000000, 0.0009946200000000, -0.0000555400000000 ] - [ 0.0009615400000000, -0.0000672700000000, 0.0003884000000000 ] - [ -0.0123773500000000, -0.0017821300000000, -0.0040740500000000 ] - [ -0.0010587600000000, -0.0035220800000000, 0.0004712900000000 ] - [ -0.0012438000000000, -0.0003370100000000, 0.0001492400000000 ] - [ -0.0019729500000000, -0.0024972900000000, 0.0004671000000000 ] - [ -0.0013781500000000, 0.0005532800000000, -0.0006189100000000 ] - [ 0.0004532800000000, -0.0018463100000000, -0.0013755700000000 ] - [ -0.0002480400000000, 0.0000132700000000, -0.0008247700000000 ] - [ 0.0001235200000000, -0.0001831400000000, -0.0004251000000000 ] - [ 0.0004220600000000, 0.0002376100000000, 0.0003078400000000 ] - [ 0.0006718700000000, 0.0011662300000000, 0.0007638900000000 ] - [ 0.0001798200000000, 0.0005512800000000, 0.0003738700000000 ] - [ 0.0005626400000000, -0.0000874800000000, -0.0003252900000000 ] - [ -0.0015828800000000, -0.0003774100000000, 0.0004325500000000 ] - [ -0.0008927200000000, 0.0011475000000000, 0.0003559700000000 ] - [ -0.0024114500000000, -0.0006361700000000, -0.0041000600000000 ] - [ -0.0004149800000000, -0.0006694600000000, 0.0004475500000000 ] - [ 0.0026202200000000, -0.0002650800000000, -0.0005568000000000 ] - [ 0.0018146200000000, 0.0007791500000000, 0.0025329900000000 ] - [ -0.0039471400000000, -0.0003056400000000, -0.0004129900000000 ] - [ 0.0003491600000000, 0.0005127200000000, 0.0000429400000000 ] - [ 0.0032184000000000, 0.0011695600000000, -0.0007827400000000 ] - [ 0.0004237400000000, -0.0000933100000000, -0.0001248000000000 ] - [ 0.0009192300000000, 0.0008866400000000, 0.0000972700000000 ] - [ -0.0001434400000000, 0.0000755900000000, 0.0004948200000000 ] - [ -0.0005825500000000, -0.0002785500000000, 0.0002791000000000 ] - [ -0.0002426100000000, -0.0002424000000000, 0.0005342800000000 ] - [ 0.0008780100000000, -0.0006279400000000, 0.0002509600000000 ] - [ 0.0000015000000000, 0.0003429200000000, -0.0004823300000000 ] - [ 0.0000008800000000, 0.0004045000000000, -0.0001151200000000 ] - [ 0.0004299100000000, -0.0009126400000000, -0.0005592400000000 ] - [ 0.0014174800000000, -0.0006102800000000, -0.0005647300000000 ] - [ 0.0023427500000000, 0.0007665100000000, 0.0009743100000000 ] - [ 0.0002962600000000, 0.0011906000000000, 0.0017575800000000 ] - [ -0.0005319700000000, 0.0006860300000000, 0.0002441900000000 ] - [ -0.0011898400000000, 0.0001313300000000, -0.0000445600000000 ] - [ 0.0002269200000000, 0.0008739800000000, -0.0005012700000000 ] - [ 0.0009356600000000, 0.0000673100000000, 0.0003546200000000 ] - [ -0.0008206100000000, 0.0003395900000000, -0.0002529100000000 ] - [ -0.0002426400000000, -0.0000526000000000, -0.0008160300000000 ] - [ -0.0000935200000000, 0.0000828600000000, 0.0019672100000000 ] - [ -0.0006734400000000, -0.0005394200000000, 0.0000902300000000 ] - [ -0.0005597300000000, -0.0004899800000000, 0.0005900400000000 ] - [ 0.0003452200000000, -0.0006380500000000, -0.0003835000000000 ] - [ -0.0003263200000000, -0.0001179800000000, -0.0000290500000000 ] - [ 0.0010176600000000, 0.0012167900000000, 0.0004056900000000 ] - [ -0.0027921200000000, -0.0004223500000000, 0.0000422500000000 ] - [ 0.0003371800000000, 0.0015452700000000, -0.0000135100000000 ] - [ 0.0057062200000000, -0.0006235300000000, -0.0004110400000000 ] - [ -0.0000644900000000, 0.0002991500000000, -0.0005015600000000 ] - [ 0.0022550700000000, -0.0012289600000000, 0.0018800400000000 ] - [ -0.0000150600000000, 0.0000396900000000, -0.0003865200000000 ] - [ -0.0005570200000000, -0.0001834200000000, 0.0002033700000000 ] - [ 0.0001253200000000, 0.0003365700000000, 0.0005661000000000 ] - [ -0.0000298100000000, 0.0005239900000000, 0.0008693900000000 ] - [ -0.0000158700000000, 0.0001409500000000, 0.0002236000000000 ] - [ -0.0001775300000000, -0.0003399100000000, -0.0003097200000000 ] - [ 0.0003272900000000, -0.0003025600000000, 0.0003131600000000 ] - [ -0.0011284600000000, -0.0008827000000000, 0.0006513900000000 ] - [ -0.0012527000000000, -0.0005760300000000, 0.0001791100000000 ] - [ 0.0014069700000000, -0.0006330900000000, 0.0002400300000000 ] - [ 0.0000783900000000, -0.0003832700000000, -0.0004163600000000 ] - [ 0.0000597800000000, 0.0001217300000000, 0.0002605300000000 ] - [ 0.0006472800000000, 0.0004060400000000, -0.0001822500000000 ] - [ -0.0002328600000000, 0.0001616400000000, 0.0000946300000000 ] - [ 0.0004815200000000, -0.0002500900000000, 0.0002901200000000 ] - [ 0.0003431100000000, -0.0001761900000000, 0.0000777400000000 ] - [ -0.0011914800000000, -0.0002885500000000, -0.0003456300000000 ] - [ 0.0000509200000000, 0.0012395100000000, 0.0005735500000000 ] - [ 0.0001502500000000, 0.0000973200000000, -0.0003168800000000 ] - [ 0.0023221000000000, 0.0006552900000000, 0.0043299800000000 ] - [ 0.0002738800000000, 0.0001253400000000, -0.0003843300000000 ] - [ 0.0005676900000000, -0.0005685100000000, -0.0000942700000000 ] - [ -0.0005372100000000, -0.0001691900000000, -0.0004126700000000 ] - [ 0.0003961400000000, 0.0001017300000000, -0.0002373300000000 ] - [ 0.0001730600000000, 0.0002232700000000, -0.0003623000000000 ] - [ 0.0011228300000000, 0.0002174100000000, 0.0002149700000000 ] - [ 0.0030601400000000, -0.0013959700000000, 0.0017629700000000 ] - [ -0.0000917200000000, -0.0005027800000000, -0.0014137800000000 ] - [ 0.0005791600000000, -0.0007730500000000, 0.0000021800000000 ] - [ -0.0010355400000000, 0.0001187100000000, -0.0001468600000000 ] - [ -0.0004032600000000, 0.0001865700000000, -0.0016656000000000 ] - [ -0.0003246700000000, -0.0001184800000000, 0.0000256800000000 ] - [ -0.0004341700000000, 0.0001866200000000, 0.0000018500000000 ] - [ -0.0004288000000000, 0.0002402900000000, 0.0003944700000000 ] - [ 0.0008650200000000, 0.0003004300000000, -0.0002542800000000 ] - [ 0.0000752100000000, -0.0002691700000000, 0.0006198500000000 ] - [ 0.0001080200000000, 0.0000881700000000, -0.0003532800000000 ] - [ 0.0001070400000000, 0.0000811900000000, -0.0008037800000000 ] - [ -0.0000779800000000, -0.0002821900000000, -0.0003912600000000 ] - [ 0.0001133200000000, -0.0004359300000000, 0.0005326600000000 ] - [ 0.0005021300000000, -0.0007653100000000, 0.0007211100000000 ] - [ -0.0010114900000000, 0.0002752800000000, 0.0004859800000000 ] - [ 0.0004479200000000, -0.0001441500000000, 0.0001400900000000 ] - [ 0.0001348200000000, -0.0003030200000000, -0.0003631400000000 ] - [ 0.0004961700000000, -0.0001826400000000, 0.0002437400000000 ] - [ -0.0000339400000000, 0.0014800800000000, 0.0004621900000000 ] - [ 0.0010334000000000, -0.0002441900000000, -0.0001315000000000 ] - [ 0.0002960000000000, 0.0006982100000000, 0.0001677900000000 ] - [ 0.0013385800000000, 0.0001107300000000, -0.0006173900000000 ] - [ 0.0005160600000000, 0.0008159900000000, 0.0000374900000000 ] - [ 0.0002046500000000, -0.0007028900000000, -0.0002395100000000 ] - [ 0.0000512100000000, 0.0003549300000000, 0.0002004300000000 ] - [ 0.0010345900000000, 0.0007309300000000, 0.0005299200000000 ] - [ 0.0012598600000000, 0.0000300800000000, 0.0003052600000000 ] - [ 0.0020332400000000, 0.0026427900000000, 0.0007716100000000 ] - [ -0.0003619500000000, -0.0000069100000000, 0.0002118800000000 ] - [ -0.0028797800000000, 0.0008357200000000, 0.0007590200000000 ] - [ -0.0005732100000000, -0.0002210700000000, -0.0004106800000000 ] - [ 0.0018728900000000, -0.0001831100000000, -0.0005237600000000 ] - [ 0.0022397000000000, 0.0024121000000000, 0.0005092900000000 ] - [ 0.0005734200000000, 0.0001569800000000, -0.0001154400000000 ] - [ -0.0002445600000000, 0.0010688800000000, 0.0001795900000000 ] - [ 0.0008989200000000, 0.0004283600000000, 0.0003538200000000 ] - [ 0.0008305900000000, 0.0003548500000000, -0.0001092800000000 ] - [ -0.0001953400000000, -0.0002958100000000, -0.0001735900000000 ] - [ 0.0000496700000000, 0.0002524100000000, -0.0001138200000000 ] - [ -0.0000151600000000, 0.0006798200000000, 0.0002631600000000 ] - [ -0.0002010200000000, 0.0002385500000000, 0.0002563100000000 ] - [ -0.0001579600000000, 0.0004644600000000, 0.0002140200000000 ] - [ 0.0005296800000000, -0.0000142100000000, -0.0002414800000000 ] - [ 0.0006184100000000, 0.0003053700000000, -0.0000292100000000 ] - [ -0.0003858000000000, -0.0001965000000000, -0.0001749900000000 ] - [ -0.0004280200000000, 0.0001166200000000, -0.0006688000000000 ] - [ -0.0001999700000000, -0.0002690700000000, 0.0000055000000000 ] - [ -0.0000534800000000, 0.0000663800000000, -0.0001120100000000 ] - [ 0.0001513400000000, 0.0004291100000000, -0.0000903900000000 ] - [ -0.0007021500000000, 0.0003482800000000, 0.0001079000000000 ] - [ 0.0001050900000000, -0.0005908200000000, -0.0007927100000000 ] - [ -0.0028681900000000, -0.0007562700000000, 0.0007860100000000 ] - [ 0.0003525900000000, -0.0003988300000000, 0.0001814500000000 ] - [ -0.0000164300000000, 0.0003492200000000, 0.0004341100000000 ] - [ 0.0002465600000000, -0.0002257600000000, 0.0001754800000000 ] - [ -0.0000771700000000, -0.0004158100000000, -0.0002522600000000 ] - [ -0.0009243600000000, 0.0007086600000000, 0.0000647600000000 ] - [ 0.0000546600000000, 0.0002815500000000, -0.0003379800000000 ] - [ 0.0000781500000000, 0.0001686000000000, -0.0000485700000000 ] - [ -0.0008257300000000, -0.0006800600000000, -0.0004975500000000 ] - [ 0.0009962600000000, 0.0000357300000000, 0.0002276300000000 ] - [ -0.0003771600000000, -0.0002100800000000, -0.0000010900000000 ] - [ -0.0003573900000000, 0.0003969600000000, 0.0003700300000000 ] - [ 0.0002987600000000, -0.0004118500000000, -0.0002640700000000 ] - [ 0.0002676200000000, 0.0001074000000000, 0.0007756700000000 ] - [ 0.0002122100000000, 0.0001061900000000, -0.0004721300000000 ] - [ 0.0002484600000000, -0.0002349000000000, 0.0002823700000000 ] - [ -0.0000878700000000, -0.0000309200000000, -0.0003336000000000 ] - [ 0.0003344800000000, -0.0002458400000000, -0.0004089100000000 ] - [ 0.0003936800000000, 0.0003774300000000, -0.0003189100000000 ] - [ -0.0001857500000000, 0.0000484500000000, 0.0000708100000000 ] - [ -0.0002260800000000, 0.0002553400000000, 0.0003439300000000 ] - [ -0.0002220000000000, -0.0001830700000000, -0.0002500500000000 ] - [ 0.0000361200000000, -0.0003833300000000, -0.0000185800000000 ] - [ -0.0001800300000000, -0.0002148300000000, -0.0002504500000000 ] - [ 0.0000895400000000, 0.0002994700000000, -0.0006429000000000 ] - [ -0.0003211600000000, 0.0001334200000000, 0.0001751500000000 ] - [ -0.0017946600000000, -0.0006240500000000, 0.0000270400000000 ] - [ 0.0001004200000000, 0.0003086000000000, 0.0003739500000000 ] - [ -0.0008736100000000, 0.0001310600000000, -0.0002824400000000 ] - [ -0.0006546700000000, 0.0000689800000000, 0.0007065900000000 ] - [ -0.0006632000000000, -0.0003709200000000, -0.0003523800000000 ] - [ 0.0000257800000000, 0.0005865200000000, -0.0002834900000000 ] - [ -0.0032414600000000, -0.0006661000000000, 0.0001177600000000 ] - [ -0.0000192700000000, -0.0007324400000000, 0.0007649000000000 ] - [ 0.0001055100000000, -0.0004292600000000, 0.0004673300000000 ] - [ -0.0001151700000000, -0.0000898000000000, 0.0007242700000000 ] - [ 0.0006910000000000, -0.0005286000000000, -0.0009668600000000 ] - [ -0.0008178200000000, 0.0002692900000000, -0.0006344400000000 ] - [ -0.0021200400000000, -0.0007279900000000, 0.0001941000000000 ] - [ -0.0003221900000000, 0.0008218000000000, -0.0000008700000000 ] - [ 0.0003110300000000, -0.0002964900000000, -0.0001733500000000 ] - [ 0.0002450600000000, 0.0000200200000000, -0.0004498900000000 ] - [ 0.0000665700000000, 0.0003323000000000, -0.0001194100000000 ] - [ 0.0002263300000000, -0.0002594900000000, 0.0002153400000000 ] - [ -0.0002558600000000, -0.0011979700000000, -0.0006452600000000 ] - [ -0.0004679500000000, 0.0002725500000000, 0.0004072600000000 ] - [ 0.0001086600000000, -0.0001963300000000, 0.0003542200000000 ] - [ 0.0000591100000000, 0.0002870600000000, -0.0003056500000000 ] - [ -0.0000621600000000, -0.0005192200000000, 0.0002887500000000 ] - [ -0.0011101000000000, -0.0002731500000000, 0.0000826300000000 ] - [ -0.0001363900000000, 0.0003817600000000, 0.0002480500000000 ] - [ 0.0001788600000000, -0.0004741500000000, -0.0000285300000000 ] - [ 0.0001221100000000, -0.0003709200000000, 0.0002325400000000 ] - [ -0.0002818200000000, -0.0005793900000000, 0.0000677500000000 ] - [ 0.0001332700000000, 0.0000440400000000, -0.0002146800000000 ] - [ 0.0003947100000000, 0.0006681300000000, 0.0000765300000000 ] - [ -0.0000003900000000, 0.0004117200000000, -0.0002731500000000 ] - [ 0.0001958400000000, 0.0002444700000000, -0.0001574600000000 ] - [ -0.0025986600000000, 0.0005299000000000, 0.0005552500000000 ]- atom: 17 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000143200000000, 0.0051752500000000, -0.0050520900000000 ] - [ -0.0002463200000000, -0.0000084400000000, 0.0009125200000000 ] - [ 0.0002687900000000, 0.0000867400000000, -0.0001014200000000 ] - [ 0.0005260900000000, -0.0000661600000000, 0.0000742400000000 ] - [ 0.0018256600000000, 0.0000470800000000, -0.0001604700000000 ] - [ -0.0006773600000000, 0.0011408900000000, 0.0000976900000000 ] - [ 0.0005352200000000, -0.0000057700000000, 0.0005307800000000 ] - [ 0.0012020400000000, -0.0004517100000000, -0.0004376400000000 ] - [ 0.0002694800000000, 0.0000873700000000, -0.0000778500000000 ] - [ 0.0002613800000000, -0.0003363200000000, 0.0000383800000000 ] - [ -0.0000592500000000, 0.0050933700000000, -0.0052484900000000 ] - [ -0.0005307000000000, -0.0000375000000000, 0.0007296000000000 ] - [ -0.0003533800000000, -0.0002398300000000, -0.0000968300000000 ] - [ 0.0005314500000000, -0.0000604800000000, 0.0002648900000000 ] - [ -0.0002948600000000, 0.0004117600000000, 0.0000128600000000 ] - [ -0.0003069600000000, -0.0002847100000000, -0.0004046700000000 ] - [ -0.0859732400000000, -0.0065125200000000, 0.0063761400000000 ] - [ 0.0005921400000000, -0.0018608000000000, 0.0011829100000000 ] - [ 0.0027826900000000, -0.0002177000000000, -0.0006318600000000 ] - [ 0.0015359100000000, 0.0010244000000000, 0.0012781500000000 ] - [ 0.0017081900000000, -0.0015995400000000, -0.0023136400000000 ] - [ 0.0009577300000000, 0.0002899700000000, -0.0000154800000000 ] - [ 0.0000519800000000, 0.0005980400000000, -0.0005803300000000 ] - [ 0.0010421200000000, -0.0000131100000000, -0.0000794800000000 ] - [ 0.0006660100000000, -0.0001821600000000, 0.0001850100000000 ] - [ 0.0017103800000000, -0.0010275400000000, 0.0011850700000000 ] - [ -0.0007318800000000, 0.0000780500000000, 0.0002926500000000 ] - [ 0.0015330900000000, 0.0018624600000000, 0.0023143800000000 ] - [ 0.0005976200000000, -0.0015989800000000, -0.0012786100000000 ] - [ -0.0017389700000000, -0.0006344500000000, 0.0000197800000000 ] - [ 0.0000565300000000, 0.0005961000000000, -0.0005775900000000 ] - [ -0.0016166300000000, 0.0000211700000000, 0.0002154300000000 ] - [ 0.0033634700000000, 0.0007901900000000, -0.0002760600000000 ] - [ 0.0012932500000000, 0.0008698100000000, -0.0011208200000000 ] - [ 0.0023939100000000, -0.0011393900000000, -0.0008628300000000 ] - [ 0.0032712000000000, 0.0006692600000000, 0.0008878300000000 ] - [ -0.0001307700000000, -0.0055770600000000, -0.0009040100000000 ] - [ 0.0068382900000000, -0.0083955000000000, 0.0116935100000000 ] - [ 0.0006138300000000, 0.0003726900000000, 0.0002332400000000 ] - [ 0.0024853200000000, 0.0005251100000000, -0.0011586000000000 ] - [ 0.0153135800000000, 0.0051759600000000, 0.0205818700000000 ] - [ 0.0007897800000000, 0.0004970600000000, 0.0005051700000000 ] - [ 0.0015468200000000, -0.0002416300000000, -0.0005642300000000 ] - [ 0.0011140100000000, -0.0006577400000000, -0.0001677700000000 ] - [ 0.0013843000000000, -0.0000947900000000, -0.0002936400000000 ] - [ 0.0019424300000000, 0.0001576500000000, -0.0001906600000000 ] - [ 0.0001904400000000, 0.0009535300000000, -0.0010757400000000 ] - [ -0.0025036700000000, 0.0022649000000000, 0.0048600500000000 ] - [ 0.0024097500000000, -0.0002398900000000, 0.0003010500000000 ] - [ 0.0071613300000000, -0.0001067000000000, 0.0030257300000000 ] - [ 0.0006344200000000, 0.0006398300000000, -0.0013101000000000 ] - [ 0.0023019300000000, 0.0002003700000000, -0.0003484200000000 ] - [ -0.0007428600000000, 0.0004058100000000, 0.0004425400000000 ] - [ 0.0135254300000000, -0.0241386800000000, -0.0047219900000000 ] - [ -0.0110781200000000, 0.0145878500000000, 0.0223004100000000 ] - [ 0.0058757200000000, -0.0027657800000000, 0.0003367400000000 ] - [ -0.0001795800000000, 0.0009089100000000, 0.0003834000000000 ] - [ -0.0022624600000000, 0.0005245900000000, -0.0013938600000000 ] - [ -0.0036887700000000, -0.0028175900000000, -0.0034437000000000 ] - [ -0.0011831100000000, -0.0003216300000000, 0.0007540700000000 ] - [ 0.0016292900000000, 0.0000203600000000, 0.0000604300000000 ] - [ 0.0001579700000000, -0.0003672900000000, 0.0008762800000000 ] - [ -0.0021105700000000, 0.0000605200000000, 0.0003083300000000 ] - [ -0.0014709900000000, -0.0006777900000000, -0.0002649400000000 ] - [ 0.0003573200000000, 0.0008164800000000, 0.0001466100000000 ] - [ 0.0004341100000000, -0.0032724200000000, 0.0003966500000000 ] - [ -0.0010729200000000, -0.0003122800000000, 0.0012017500000000 ] - [ 0.0065043400000000, -0.0129997900000000, 0.0078800500000000 ] - [ -0.0003552900000000, 0.0007639900000000, -0.0016687100000000 ] - [ -0.0070170100000000, -0.0215038200000000, -0.0137405400000000 ] - [ 0.0004483300000000, -0.0003912300000000, 0.0007715300000000 ] - [ 0.0014372500000000, 0.0010580300000000, -0.0000796100000000 ] - [ -0.0009644300000000, -0.0013268400000000, -0.0002667300000000 ] - [ 0.0001102500000000, 0.0002655800000000, 0.0013984800000000 ] - [ -0.0018163200000000, -0.0003454900000000, 0.0001916300000000 ] - [ -0.0016222900000000, 0.0007422000000000, 0.0004642100000000 ] - [ 0.0005229800000000, -0.0003109600000000, -0.0000127000000000 ] - [ 0.0001136400000000, -0.0010347500000000, 0.0000975000000000 ] - [ 0.0012294700000000, 0.0000468100000000, 0.0008616400000000 ] - [ 0.0001046100000000, -0.0012663000000000, 0.0005009500000000 ] - [ 0.0005721800000000, -0.0001824200000000, -0.0007698700000000 ] - [ -0.0015301100000000, 0.0010753900000000, -0.0002578900000000 ] - [ 0.0177069400000000, 0.0065654400000000, -0.0015283800000000 ] - [ 0.0111036700000000, 0.0106323900000000, -0.0012626200000000 ] - [ -0.0031400500000000, 0.0016656000000000, -0.0013132100000000 ] - [ 0.0007137300000000, 0.0002199800000000, 0.0002334800000000 ] - [ -0.0018526300000000, 0.0024169400000000, -0.0036693700000000 ] - [ -0.0005982800000000, 0.0001001100000000, -0.0008399800000000 ] - [ -0.0009973800000000, -0.0007297700000000, 0.0000758900000000 ] - [ -0.0003994800000000, 0.0004368500000000, 0.0008161400000000 ] - [ -0.0009385500000000, 0.0002984300000000, -0.0001423600000000 ] - [ -0.0016475500000000, -0.0002622400000000, 0.0006985500000000 ] - [ 0.0005668500000000, -0.0009493600000000, -0.0002872000000000 ] - [ -0.0001638900000000, 0.0000014200000000, 0.0003471600000000 ] - [ -0.0057377300000000, 0.0040186200000000, 0.0032330200000000 ] - [ -0.0012481900000000, -0.0055200500000000, -0.0045869000000000 ] - [ -0.0007815700000000, 0.0011163900000000, -0.0005376300000000 ] - [ -0.0006088500000000, -0.0002340800000000, -0.0007234400000000 ] - [ -0.0015600600000000, -0.0002211900000000, 0.0011788700000000 ] - [ -0.0004186600000000, 0.0000721100000000, -0.0006076600000000 ] - [ 0.0006183600000000, 0.0004821000000000, -0.0001394000000000 ] - [ -0.0002660400000000, -0.0003705200000000, 0.0000374100000000 ] - [ 0.0001716800000000, -0.0001112400000000, 0.0004442200000000 ] - [ 0.0129382000000000, 0.0026505700000000, -0.0029957600000000 ] - [ -0.0031681700000000, -0.0041174800000000, -0.0070262600000000 ] - [ -0.0006862100000000, -0.0001428700000000, -0.0007426500000000 ] - [ -0.0009727100000000, -0.0001084700000000, 0.0005947600000000 ] - [ -0.0011671000000000, 0.0011794800000000, -0.0004213500000000 ] - [ -0.0008071600000000, 0.0055905900000000, 0.0033458800000000 ] - [ 0.0003307100000000, 0.0000109800000000, -0.0016524800000000 ] - [ -0.0001665700000000, 0.0000484300000000, -0.0004344500000000 ] - [ 0.0012497800000000, 0.0001122100000000, 0.0007730000000000 ] - [ -0.0016612200000000, -0.0001614300000000, -0.0001461300000000 ] - [ -0.0016907400000000, 0.0006330600000000, 0.0002166900000000 ] - [ -0.0005504700000000, -0.0003470700000000, 0.0000030800000000 ] - [ -0.0001171200000000, -0.0003180000000000, -0.0001314300000000 ] - [ 0.0001997300000000, -0.0000241600000000, 0.0001457700000000 ] - [ 0.0006670000000000, -0.0007797000000000, -0.0080583400000000 ] - [ -0.0012411400000000, -0.0001682400000000, 0.0010384700000000 ] - [ -0.0019581600000000, 0.0003195100000000, -0.0002011100000000 ] - [ 0.0015231300000000, 0.0019336100000000, 0.0004356800000000 ] - [ -0.0082904100000000, 0.0007172100000000, -0.0032831700000000 ] - [ -0.0007459000000000, -0.0005132600000000, 0.0015763200000000 ] - [ -0.0013928900000000, -0.0013573200000000, -0.0002934300000000 ] - [ -0.0003032600000000, 0.0004121500000000, -0.0000064300000000 ] - [ -0.0006187500000000, -0.0002303700000000, -0.0001329800000000 ] - [ -0.0011141900000000, -0.0006500000000000, 0.0003620100000000 ] - [ -0.0010549300000000, -0.0004130000000000, 0.0002344500000000 ] - [ -0.0018182300000000, 0.0045270500000000, -0.0026367000000000 ] - [ -0.0000047500000000, -0.0000429100000000, 0.0003545400000000 ] - [ -0.0007196100000000, 0.0000471600000000, -0.0004966900000000 ] - [ 0.0001093700000000, -0.0003657600000000, 0.0002149300000000 ] - [ -0.0008055300000000, 0.0004890300000000, -0.0000078700000000 ] - [ -0.0010268400000000, -0.0001749400000000, 0.0001601500000000 ] - [ -0.0001294100000000, -0.0001473400000000, -0.0003149600000000 ] - [ -0.0024276200000000, 0.0004901100000000, 0.0004061500000000 ] - [ -0.0001081000000000, -0.0005138000000000, 0.0003042400000000 ] - [ -0.0001064700000000, -0.0003358300000000, -0.0002534300000000 ] - [ -0.0009839400000000, 0.0003567300000000, 0.0008932900000000 ] - [ -0.0004470600000000, -0.0004351000000000, 0.0004152600000000 ] - [ -0.0012408900000000, 0.0007147900000000, -0.0001971000000000 ] - [ -0.0016130500000000, 0.0021551300000000, -0.0041509600000000 ] - [ -0.0007555400000000, -0.0002000600000000, 0.0003413800000000 ] - [ -0.0016431800000000, -0.0002513200000000, 0.0005458300000000 ] - [ -0.0023503000000000, 0.0011718800000000, -0.0029634800000000 ] - [ -0.0016975900000000, -0.0001903600000000, 0.0008851000000000 ] - [ -0.0010599000000000, -0.0012535600000000, 0.0002273000000000 ] - [ -0.0001431900000000, 0.0010020800000000, -0.0004589400000000 ] - [ 0.0013113600000000, 0.0095212200000000, 0.0014843800000000 ] - [ -0.0004792900000000, 0.0004068300000000, -0.0009509200000000 ] - [ -0.0010969800000000, -0.0001915700000000, -0.0015986600000000 ] - [ -0.0007268200000000, -0.0002311100000000, -0.0004945900000000 ] - [ -0.0008248700000000, -0.0005090600000000, -0.0001532600000000 ] - [ 0.0001304900000000, 0.0007679800000000, -0.0000283000000000 ] - [ -0.0006814800000000, 0.0000049400000000, 0.0000861100000000 ] - [ -0.0005672000000000, 0.0002791300000000, -0.0000949500000000 ] - [ 0.0003273800000000, 0.0001142600000000, -0.0004041900000000 ] - [ -0.0001678200000000, 0.0006717400000000, -0.0003997100000000 ] - [ -0.0007539100000000, 0.0000152100000000, -0.0005565800000000 ] - [ -0.0004636600000000, 0.0015385600000000, -0.0007735200000000 ] - [ 0.0003612100000000, -0.0003078400000000, -0.0014210900000000 ] - [ 0.0024647000000000, 0.0039449900000000, 0.0080936600000000 ] - [ 0.0008765000000000, -0.0004125900000000, -0.0011861600000000 ] - [ -0.0000789500000000, 0.0002960900000000, 0.0003150400000000 ] - [ -0.0006546100000000, -0.0003535700000000, 0.0000217900000000 ] - [ 0.0109459400000000, 0.0014783800000000, -0.0096588700000000 ] - [ 0.0000040400000000, -0.0001592300000000, 0.0003770500000000 ] - [ -0.0008097100000000, -0.0003435500000000, 0.0000241200000000 ] - [ 0.0003890400000000, 0.0003278600000000, -0.0005760500000000 ] - [ 0.0004586800000000, -0.0000906000000000, -0.0007644200000000 ] - [ -0.0000023600000000, 0.0000374400000000, 0.0004569700000000 ] - [ 0.0009563600000000, 0.0016668300000000, -0.0002543900000000 ] - [ -0.0010314200000000, 0.0001469600000000, 0.0006291400000000 ] - [ 0.0011333000000000, -0.0004303600000000, 0.0005492200000000 ] - [ 0.0009529200000000, 0.0003094300000000, 0.0002776900000000 ] - [ -0.0017306900000000, -0.0003825000000000, 0.0001903400000000 ] - [ -0.0006038200000000, 0.0000276000000000, -0.0001156600000000 ] - [ 0.0009057000000000, 0.0011943100000000, -0.0002673400000000 ] - [ 0.0004282100000000, -0.0001056500000000, 0.0002278700000000 ] - [ 0.0009253300000000, 0.0009027300000000, 0.0005206600000000 ] - [ -0.0003974400000000, 0.0002211300000000, 0.0005977100000000 ] - [ -0.0009533500000000, -0.0005136700000000, -0.0000094600000000 ] - [ 0.0010066000000000, 0.0006362000000000, 0.0000867000000000 ] - [ -0.0003313500000000, 0.0004847300000000, -0.0002309400000000 ] - [ 0.0016069300000000, 0.0004757700000000, 0.0001910900000000 ] - [ 0.0001799200000000, 0.0000569300000000, 0.0002738800000000 ] - [ -0.0000304100000000, -0.0009502900000000, -0.0000621700000000 ] - [ -0.0003485400000000, 0.0042535800000000, -0.0000113100000000 ] - [ -0.0007467800000000, -0.0002218400000000, -0.0001619900000000 ] - [ -0.0005696200000000, 0.0001454700000000, -0.0009709700000000 ] - [ 0.0001659200000000, 0.0008464400000000, -0.0000289700000000 ] - [ 0.0007944100000000, 0.0004796700000000, 0.0001909600000000 ] - [ -0.0009276300000000, 0.0000018800000000, 0.0005025400000000 ] - [ -0.0008155300000000, 0.0000303100000000, -0.0005023800000000 ] - [ 0.0003098100000000, -0.0002559500000000, 0.0009945500000000 ] - [ -0.0003436700000000, -0.0004986600000000, -0.0015062700000000 ] - [ 0.0001852900000000, 0.0004568400000000, -0.0002768000000000 ] - [ 0.0003216300000000, -0.0008838700000000, 0.0000686800000000 ] - [ 0.0007893300000000, 0.0005583200000000, -0.0000224600000000 ] - [ 0.0007092300000000, 0.0000928200000000, 0.0000721700000000 ] - [ -0.0004025500000000, 0.0000811900000000, 0.0005315100000000 ] - [ 0.0161692000000000, 0.0020451200000000, -0.0074712500000000 ] - [ 0.0036691900000000, -0.0002636900000000, 0.0006094500000000 ] - [ 0.0006590700000000, -0.0005737800000000, 0.0009292400000000 ] - [ 0.0002304400000000, 0.0002830400000000, -0.0002704100000000 ] - [ 0.0041332800000000, -0.0006271200000000, -0.0008269800000000 ] - [ 0.0007094100000000, -0.0001618800000000, -0.0011731900000000 ] - [ 0.0007550100000000, 0.0002616700000000, -0.0006273400000000 ] - [ 0.0007387800000000, -0.0006656800000000, 0.0008866400000000 ] - [ 0.0001701000000000, -0.0011349000000000, 0.0004967300000000 ] - [ -0.0004252300000000, 0.0016483300000000, 0.0011965900000000 ] - [ 0.0012078900000000, -0.0001277800000000, 0.0002805100000000 ] - [ 0.0009871600000000, -0.0000882800000000, -0.0005579800000000 ] - [ -0.0002161200000000, -0.0006499200000000, 0.0001137100000000 ] - [ -0.0008891000000000, -0.0002311200000000, 0.0004413900000000 ] - [ -0.0000470000000000, 0.0002454200000000, 0.0003041700000000 ] - [ -0.0005388300000000, -0.0000024500000000, -0.0006053900000000 ] - [ 0.0005876500000000, -0.0001338600000000, -0.0002184200000000 ] - [ 0.0001408800000000, -0.0008816300000000, 0.0000688800000000 ] - [ 0.0004394400000000, 0.0000573700000000, 0.0008728000000000 ] - [ -0.0000177800000000, 0.0009393600000000, 0.0001658700000000 ] - [ -0.0005142300000000, 0.0011735700000000, -0.0005928200000000 ] - [ 0.0006220200000000, -0.0003626000000000, -0.0009516000000000 ] - [ 0.0041247700000000, -0.0026084300000000, 0.0005309200000000 ]- atom: 17 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0001491100000000, -0.0050824300000000, 0.0049611900000000 ] - [ 0.0001263700000000, 0.0001315700000000, -0.0007896900000000 ] - [ -0.0001476100000000, 0.0000341500000000, -0.0000183700000000 ] - [ -0.0006463600000000, 0.0001884700000000, 0.0000448000000000 ] - [ -0.0019484400000000, -0.0001682100000000, 0.0000413900000000 ] - [ 0.0007975300000000, -0.0012608800000000, 0.0000217600000000 ] - [ -0.0004141000000000, -0.0001155500000000, -0.0004103900000000 ] - [ -0.0013237800000000, 0.0003276900000000, 0.0003169200000000 ] - [ -0.0001494700000000, 0.0000333600000000, -0.0000418100000000 ] - [ -0.0003841000000000, 0.0004588400000000, 0.0000816500000000 ] - [ 0.0001655200000000, -0.0049420500000000, 0.0050980600000000 ] - [ 0.0004090100000000, 0.0001592400000000, -0.0006130100000000 ] - [ 0.0002300600000000, 0.0001172000000000, -0.0000230100000000 ] - [ -0.0004097200000000, -0.0000605700000000, -0.0001455400000000 ] - [ 0.0004170900000000, -0.0005335000000000, 0.0001069300000000 ] - [ 0.0001853600000000, 0.0001632300000000, 0.0002855100000000 ] - [ 0.0860884100000000, 0.0063431000000000, -0.0064746900000000 ] - [ -0.0005325000000000, 0.0017930400000000, -0.0012591300000000 ] - [ -0.0027100800000000, 0.0002874800000000, 0.0007073400000000 ] - [ -0.0016059900000000, -0.0009567500000000, -0.0013535200000000 ] - [ -0.0016338800000000, 0.0016713500000000, 0.0023866800000000 ] - [ -0.0010316100000000, -0.0002204100000000, -0.0000599200000000 ] - [ -0.0001279200000000, -0.0006675700000000, 0.0006517200000000 ] - [ -0.0009701500000000, -0.0000571100000000, 0.0000021000000000 ] - [ -0.0007372700000000, 0.0001116600000000, -0.0001079100000000 ] - [ -0.0016316000000000, 0.0009535800000000, -0.0012570500000000 ] - [ 0.0008032100000000, -0.0000047700000000, -0.0002177000000000 ] - [ -0.0016092200000000, -0.0017913300000000, -0.0023860600000000 ] - [ -0.0005262100000000, 0.0016721400000000, 0.0013534500000000 ] - [ 0.0016622200000000, 0.0007045200000000, -0.0000955200000000 ] - [ -0.0001222200000000, -0.0006694500000000, 0.0006545300000000 ] - [ 0.0016881500000000, -0.0000938500000000, -0.0002904000000000 ] - [ -0.0026039400000000, 0.0003867600000000, 0.0005665900000000 ] - [ -0.0015831500000000, -0.0001097400000000, -0.0000615800000000 ] - [ -0.0021039900000000, 0.0003787900000000, -0.0003143400000000 ] - [ -0.0029827500000000, 0.0000933400000000, 0.0002888300000000 ] - [ 0.0008854600000000, 0.0058694800000000, 0.0020808200000000 ] - [ -0.0081322300000000, 0.0080361300000000, -0.0109112600000000 ] - [ -0.0013642300000000, -0.0006595400000000, 0.0009489600000000 ] - [ -0.0036605400000000, -0.0012828200000000, 0.0014397200000000 ] - [ -0.0155469000000000, -0.0039184200000000, -0.0212607400000000 ] - [ -0.0015519000000000, 0.0006835900000000, -0.0007936000000000 ] - [ -0.0007854700000000, -0.0009358100000000, 0.0002770900000000 ] - [ -0.0003580800000000, 0.0003734900000000, -0.0010121900000000 ] - [ -0.0002078100000000, -0.0001938600000000, -0.0004680500000000 ] - [ -0.0007601500000000, 0.0006021400000000, 0.0004808600000000 ] - [ 0.0001002700000000, 0.0002281500000000, 0.0018348500000000 ] - [ 0.0013242800000000, -0.0015057700000000, -0.0051517700000000 ] - [ -0.0012264100000000, -0.0005170300000000, -0.0005908700000000 ] - [ -0.0059764000000000, 0.0003852200000000, -0.0022596900000000 ] - [ -0.0018146100000000, -0.0003550300000000, 0.0005509300000000 ] - [ -0.0030601500000000, 0.0000837000000000, -0.0008344000000000 ] - [ 0.0004468700000000, -0.0015871600000000, 0.0003130300000000 ] - [ -0.0143371400000000, 0.0230383700000000, 0.0051123800000000 ] - [ 0.0107855300000000, -0.0153581900000000, -0.0211115900000000 ] - [ -0.0055850900000000, 0.0015833700000000, -0.0010908500000000 ] - [ 0.0009275700000000, 0.0002756200000000, -0.0000961700000000 ] - [ 0.0019792400000000, 0.0002350800000000, 0.0002121700000000 ] - [ 0.0039747100000000, 0.0020616600000000, 0.0022608500000000 ] - [ 0.0014676200000000, 0.0010779400000000, 0.0004253700000000 ] - [ -0.0008675900000000, 0.0002669400000000, 0.0011121600000000 ] - [ -0.0013320100000000, 0.0000786900000000, -0.0001156600000000 ] - [ 0.0013468900000000, -0.0003463300000000, 0.0008735700000000 ] - [ 0.0002949500000000, -0.0000825200000000, 0.0005508900000000 ] - [ -0.0006408000000000, 0.0003579800000000, -0.0009100900000000 ] - [ -0.0011807500000000, 0.0044415800000000, -0.0006909400000000 ] - [ 0.0018285000000000, -0.0008691600000000, -0.0014866700000000 ] - [ -0.0056450000000000, 0.0127372700000000, -0.0091335900000000 ] - [ 0.0015361300000000, -0.0010547600000000, 0.0009050000000000 ] - [ 0.0082041000000000, 0.0222687100000000, 0.0140040800000000 ] - [ -0.0001687100000000, 0.0015702600000000, -0.0000135900000000 ] - [ -0.0026186100000000, -0.0002996500000000, -0.0002074500000000 ] - [ 0.0021373800000000, 0.0005705300000000, -0.0000210600000000 ] - [ 0.0010722100000000, 0.0000173500000000, -0.0006404100000000 ] - [ 0.0006307000000000, 0.0006319600000000, -0.0009496700000000 ] - [ 0.0008582800000000, -0.0004509500000000, -0.0016382900000000 ] - [ -0.0008084000000000, -0.0008680400000000, 0.0007698300000000 ] - [ -0.0008737100000000, -0.0001432000000000, 0.0001896700000000 ] - [ -0.0015170500000000, -0.0008059300000000, 0.0003206600000000 ] - [ 0.0001861100000000, 0.0000871600000000, -0.0012576200000000 ] - [ -0.0009471700000000, -0.0002981500000000, 0.0001336400000000 ] - [ 0.0016437300000000, 0.0002344400000000, 0.0007646900000000 ] - [ -0.0189380400000000, -0.0069780700000000, 0.0016726400000000 ] - [ -0.0109174500000000, -0.0091376400000000, 0.0020049000000000 ] - [ 0.0044682100000000, -0.0017741300000000, 0.0007883600000000 ] - [ -0.0002834200000000, 0.0005172700000000, -0.0006591600000000 ] - [ 0.0011401800000000, -0.0028596700000000, 0.0032789000000000 ] - [ 0.0000903500000000, 0.0000156400000000, -0.0004682600000000 ] - [ 0.0005882800000000, -0.0000073200000000, -0.0005175200000000 ] - [ 0.0005131100000000, 0.0000723700000000, 0.0004917400000000 ] - [ 0.0013159600000000, 0.0003387200000000, -0.0003429000000000 ] - [ 0.0009069900000000, 0.0006767100000000, -0.0002611000000000 ] - [ -0.0010029600000000, 0.0002108600000000, -0.0001264400000000 ] - [ 0.0005472100000000, -0.0004966400000000, 0.0002900300000000 ] - [ 0.0061377600000000, -0.0047526600000000, -0.0027991800000000 ] - [ 0.0008055600000000, 0.0059183700000000, 0.0053199600000000 ] - [ 0.0014214200000000, -0.0016123900000000, 0.0009204200000000 ] - [ 0.0007229100000000, -0.0002748000000000, -0.0005833600000000 ] - [ 0.0010589200000000, 0.0006055700000000, -0.0005366300000000 ] - [ 0.0008012500000000, 0.0004209400000000, -0.0000303200000000 ] - [ -0.0011131600000000, 0.0001556500000000, 0.0005232300000000 ] - [ 0.0007426800000000, -0.0002642300000000, 0.0003367000000000 ] - [ 0.0011350800000000, 0.0002276700000000, 0.0000632500000000 ] - [ -0.0142505000000000, -0.0031528700000000, 0.0031219200000000 ] - [ 0.0025250300000000, 0.0046075900000000, 0.0074038200000000 ] - [ 0.0011687900000000, 0.0005171500000000, 0.0001020500000000 ] - [ 0.0014847400000000, 0.0002238400000000, 0.0007137200000000 ] - [ 0.0016002300000000, -0.0007684900000000, -0.0003207600000000 ] - [ 0.0013198000000000, -0.0059950800000000, -0.0027073300000000 ] - [ -0.0010700200000000, -0.0004334300000000, 0.0012192700000000 ] - [ 0.0009053500000000, 0.0003762500000000, 0.0000054700000000 ] - [ -0.0006138800000000, 0.0002693500000000, -0.0012639700000000 ] - [ 0.0029656000000000, 0.0006713700000000, 0.0002612600000000 ] - [ 0.0013069800000000, -0.0001383500000000, 0.0004200000000000 ] - [ -0.0000903900000000, -0.0001537600000000, -0.0003918900000000 ] - [ 0.0006260200000000, -0.0009904600000000, 0.0000163800000000 ] - [ -0.0008365600000000, -0.0003576400000000, -0.0006349100000000 ] - [ -0.0007813600000000, 0.0012981200000000, 0.0067649900000000 ] - [ 0.0004980700000000, 0.0006037600000000, -0.0006249200000000 ] - [ 0.0006522900000000, 0.0001907100000000, 0.0000872700000000 ] - [ -0.0019231700000000, -0.0014874400000000, 0.0003042000000000 ] - [ 0.0069844200000000, -0.0006051200000000, 0.0027641200000000 ] - [ 0.0006294900000000, -0.0000028100000000, -0.0002690500000000 ] - [ 0.0009047200000000, 0.0009787600000000, -0.0003457800000000 ] - [ 0.0001875500000000, 0.0008962600000000, -0.0004991900000000 ] - [ 0.0001848200000000, -0.0001913300000000, -0.0006051500000000 ] - [ 0.0015438700000000, 0.0002292500000000, 0.0003805800000000 ] - [ 0.0016905500000000, 0.0000263800000000, 0.0002609700000000 ] - [ 0.0012793800000000, -0.0046624100000000, 0.0039704700000000 ] - [ 0.0007400300000000, -0.0003747400000000, 0.0000797900000000 ] - [ 0.0003046000000000, -0.0004863000000000, -0.0002425000000000 ] - [ 0.0006296500000000, -0.0000627700000000, 0.0002149700000000 ] - [ 0.0002932400000000, 0.0008204800000000, -0.0001062700000000 ] - [ 0.0023276600000000, -0.0003303200000000, -0.0002752900000000 ] - [ 0.0006351800000000, 0.0000332900000000, -0.0009877900000000 ] - [ 0.0029291600000000, 0.0001492900000000, -0.0007966000000000 ] - [ 0.0004776900000000, -0.0001225200000000, 0.0001733300000000 ] - [ 0.0002232900000000, -0.0009754700000000, -0.0002588800000000 ] - [ 0.0005752500000000, 0.0002820800000000, -0.0003664600000000 ] - [ 0.0008601200000000, -0.0000041700000000, 0.0003225700000000 ] - [ 0.0016482000000000, -0.0002730800000000, -0.0005414300000000 ] - [ 0.0015118800000000, -0.0034264000000000, 0.0046528100000000 ] - [ -0.0005436700000000, 0.0000852500000000, 0.0001710400000000 ] - [ 0.0012111200000000, 0.0009914100000000, -0.0001226800000000 ] - [ 0.0019292700000000, -0.0018034300000000, 0.0024582800000000 ] - [ 0.0021413100000000, -0.0005456000000000, -0.0004807900000000 ] - [ 0.0005494100000000, -0.0000510200000000, -0.0001123400000000 ] - [ 0.0007780800000000, -0.0005049700000000, 0.0000711000000000 ] - [ -0.0008019700000000, -0.0082331200000000, -0.0013715000000000 ] - [ 0.0008903000000000, 0.0003315700000000, 0.0005124400000000 ] - [ 0.0018338900000000, 0.0006335000000000, 0.0011885000000000 ] - [ 0.0002239400000000, -0.0004073600000000, 0.0001052900000000 ] - [ 0.0004342600000000, 0.0000106100000000, -0.0004819200000000 ] - [ -0.0000163900000000, 0.0005406000000000, 0.0005421400000000 ] - [ 0.0000431300000000, 0.0003816200000000, 0.0004097100000000 ] - [ 0.0001344600000000, 0.0004573000000000, 0.0005198600000000 ] - [ 0.0009712300000000, -0.0002287400000000, -0.0001112800000000 ] - [ 0.0006117100000000, 0.0000639000000000, -0.0000063600000000 ] - [ 0.0000121500000000, -0.0004502500000000, 0.0001400900000000 ] - [ -0.0000477600000000, -0.0014252700000000, -0.0005236700000000 ] - [ -0.0007824900000000, -0.0004315100000000, 0.0009880500000000 ] - [ -0.0023524300000000, -0.0034286000000000, -0.0067824700000000 ] - [ -0.0004853400000000, 0.0010521000000000, 0.0006816400000000 ] - [ -0.0006598200000000, 0.0001208200000000, 0.0001207400000000 ] - [ 0.0002133600000000, -0.0003855900000000, -0.0004291100000000 ] - [ -0.0111271200000000, -0.0016554700000000, 0.0110325100000000 ] - [ 0.0004094000000000, -0.0005762100000000, 0.0000634900000000 ] - [ 0.0003676100000000, 0.0007500000000000, 0.0007136000000000 ] - [ 0.0002493500000000, -0.0008309800000000, 0.0009636100000000 ] - [ -0.0003428600000000, -0.0004241300000000, -0.0005433700000000 ] - [ -0.0004907500000000, 0.0003456600000000, 0.0001812800000000 ] - [ -0.0005622500000000, -0.0011549000000000, -0.0003814000000000 ] - [ 0.0005346100000000, 0.0004931900000000, -0.0002450000000000 ] - [ -0.0006326900000000, -0.0002080000000000, -0.0001580600000000 ] - [ 0.0003554200000000, -0.0001944900000000, 0.0002366000000000 ] - [ 0.0004226900000000, -0.0001239400000000, -0.0000765900000000 ] - [ -0.0000372400000000, 0.0004773300000000, 0.0005060300000000 ] - [ -0.0004086800000000, -0.0008133800000000, -0.0003715100000000 ] - [ 0.0000814800000000, 0.0002212700000000, 0.0010765400000000 ] - [ -0.0004806600000000, -0.0004969800000000, -0.0012571900000000 ] - [ 0.0008869700000000, -0.0005999900000000, 0.0000440100000000 ] - [ 0.0002154600000000, 0.0000916300000000, -0.0004243800000000 ] - [ -0.0002682700000000, -0.0002190100000000, -0.0005227700000000 ] - [ 0.0009666900000000, -0.0000891900000000, -0.0002753600000000 ] - [ -0.0003042900000000, 0.0000363200000000, -0.0000757300000000 ] - [ -0.0005547000000000, 0.0004217100000000, 0.0003591600000000 ] - [ -0.0006034900000000, 0.0004622100000000, -0.0003168400000000 ] - [ 0.0008471500000000, -0.0055330700000000, -0.0000951700000000 ] - [ 0.0001080800000000, -0.0001561200000000, -0.0003246600000000 ] - [ 0.0004528400000000, 0.0003621800000000, -0.0003396800000000 ] - [ -0.0008996200000000, -0.0004073100000000, 0.0004450600000000 ] - [ -0.0021004200000000, 0.0000292400000000, -0.0003061400000000 ] - [ 0.0005139700000000, 0.0004342800000000, 0.0002356800000000 ] - [ -0.0004958500000000, 0.0000861100000000, -0.0000095300000000 ] - [ -0.0004271200000000, -0.0002589700000000, 0.0003115800000000 ] - [ -0.0001492100000000, 0.0001164600000000, 0.0008682000000000 ] - [ -0.0002981500000000, 0.0008478400000000, -0.0002342000000000 ] - [ -0.0007607600000000, 0.0004674200000000, -0.0008073600000000 ] - [ -0.0003457600000000, -0.0009629600000000, 0.0007630700000000 ] - [ -0.0000734000000000, -0.0004782400000000, 0.0004211300000000 ] - [ -0.0001058200000000, -0.0001973800000000, 0.0007755000000000 ] - [ -0.0149403000000000, -0.0027496200000000, 0.0071779100000000 ] - [ -0.0040410100000000, -0.0001674100000000, -0.0013556400000000 ] - [ 0.0000759100000000, 0.0001377400000000, -0.0005131000000000 ] - [ -0.0007430600000000, 0.0010186500000000, 0.0001543900000000 ] - [ -0.0028304500000000, 0.0001175300000000, 0.0007117000000000 ] - [ -0.0001957500000000, 0.0000437400000000, -0.0001370400000000 ] - [ -0.0002617500000000, 0.0003770400000000, 0.0002420400000000 ] - [ -0.0003509300000000, 0.0000259800000000, -0.0003882500000000 ] - [ -0.0000569300000000, -0.0001672400000000, -0.0010056000000000 ] - [ 0.0000482900000000, -0.0010095300000000, -0.0007112500000000 ] - [ -0.0007879400000000, -0.0003084000000000, 0.0004549400000000 ] - [ -0.0005717200000000, 0.0005239800000000, -0.0001804200000000 ] - [ 0.0000980700000000, -0.0006547800000000, 0.0003963400000000 ] - [ -0.0004197800000000, 0.0001161100000000, 0.0000642900000000 ] - [ -0.0003472300000000, 0.0004946300000000, 0.0001461900000000 ] - [ 0.0001554400000000, -0.0006373500000000, 0.0001097600000000 ] - [ -0.0001445400000000, -0.0006031500000000, 0.0006214400000000 ] - [ -0.0006560400000000, -0.0004251500000000, 0.0000444100000000 ] - [ 0.0001998400000000, 0.0004246300000000, -0.0012439700000000 ] - [ 0.0005243300000000, 0.0003636100000000, -0.0000528200000000 ] - [ 0.0009112600000000, -0.0004320400000000, 0.0001511600000000 ] - [ 0.0001131500000000, 0.0008059000000000, 0.0005426900000000 ] - [ -0.0046474100000000, 0.0019486900000000, -0.0008798800000000 ]- atom: 33 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0112286500000000, 0.0014392500000000, 0.0007333200000000 ] - [ -0.0001998300000000, 0.0003534300000000, 0.0001926000000000 ] - [ -0.0009790900000000, -0.0007514300000000, -0.0009096100000000 ] - [ -0.0004371000000000, 0.0000078900000000, 0.0003438900000000 ] - [ -0.0030368200000000, -0.0045110200000000, -0.0012078500000000 ] - [ 0.0005848200000000, -0.0003067600000000, 0.0000546500000000 ] - [ 0.0000096300000000, -0.0001871200000000, -0.0005529500000000 ] - [ 0.0006213000000000, 0.0001875000000000, 0.0015199700000000 ] - [ 0.0000857300000000, 0.0000159200000000, -0.0000047600000000 ] - [ 0.0019713800000000, 0.0013107600000000, -0.0003270900000000 ] - [ 0.0006864400000000, 0.0002029100000000, 0.0000407000000000 ] - [ 0.0009385700000000, 0.0000853700000000, -0.0000790200000000 ] - [ 0.0002318600000000, -0.0001613800000000, 0.0000504500000000 ] - [ -0.0005211100000000, 0.0001100600000000, 0.0000250400000000 ] - [ -0.0000115600000000, -0.0007951400000000, -0.0004526600000000 ] - [ -0.0001990600000000, -0.0001015200000000, 0.0000117500000000 ] - [ 0.0029499500000000, 0.0012579100000000, -0.0001099400000000 ] - [ 0.0027097200000000, 0.0009073700000000, -0.0014841000000000 ] - [ 0.0139624400000000, -0.0111950200000000, 0.0149454800000000 ] - [ -0.0005527300000000, -0.0018488200000000, -0.0007509400000000 ] - [ -0.0016957200000000, 0.0009363700000000, -0.0000274700000000 ] - [ -0.0014811700000000, 0.0006046600000000, 0.0002487000000000 ] - [ 0.0007000500000000, -0.0002570400000000, 0.0005641100000000 ] - [ 0.0008493400000000, 0.0026111900000000, 0.0024075000000000 ] - [ -0.0005860200000000, -0.0001218200000000, -0.0004522500000000 ] - [ -0.0012069300000000, -0.0001744500000000, 0.0003560700000000 ] - [ 0.0005278000000000, -0.0004591700000000, 0.0004638600000000 ] - [ 0.0012104500000000, -0.0006421300000000, -0.0009130300000000 ] - [ 0.0010240500000000, -0.0002617700000000, 0.0004262600000000 ] - [ 0.0011281500000000, -0.0008964500000000, -0.0007367600000000 ] - [ 0.0060227500000000, -0.0219029600000000, 0.0209808600000000 ] - [ 0.0012024300000000, 0.0009829900000000, 0.0007186000000000 ] - [ -0.7054071100000000, 0.1480557400000000, -0.1505358600000000 ] - [ -0.0004191300000000, -0.0000215200000000, 0.0005443800000000 ] - [ -0.0007698100000000, 0.0001752900000000, -0.0016360900000000 ] - [ -0.0008370900000000, -0.0016736200000000, 0.0056506900000000 ] - [ -0.0002092800000000, 0.0010173400000000, 0.0004948800000000 ] - [ 0.0057640800000000, -0.0000291400000000, -0.0001692500000000 ] - [ -0.0281826400000000, 0.0472040100000000, -0.0075597800000000 ] - [ 0.0006315400000000, -0.0019123900000000, 0.0026566700000000 ] - [ 0.0038873700000000, 0.0002376300000000, -0.0003551000000000 ] - [ -0.0000541000000000, 0.0004035500000000, -0.0016022000000000 ] - [ -0.0003112100000000, -0.0034630100000000, 0.0081471800000000 ] - [ 0.0004299900000000, 0.0002607800000000, -0.0023849600000000 ] - [ 0.0015680600000000, 0.0001693500000000, 0.0000217200000000 ] - [ -0.0006155300000000, 0.0007957400000000, -0.0010728700000000 ] - [ -0.0010856800000000, 0.0038006700000000, 0.0022115100000000 ] - [ -0.0000449500000000, 0.0000697200000000, -0.0013128900000000 ] - [ -0.0005761700000000, -0.0000727000000000, 0.0018006400000000 ] - [ 0.0065801800000000, -0.0038146800000000, -0.0016663200000000 ] - [ -0.0034481400000000, 0.0034825100000000, -0.0016423000000000 ] - [ -0.0279949900000000, -0.0030903200000000, -0.0057474700000000 ] - [ 0.0011608400000000, -0.0007598400000000, 0.0003022200000000 ] - [ -0.0012384200000000, 0.0044174100000000, -0.0005803400000000 ] - [ 0.0030156400000000, -0.0016376400000000, -0.0041010500000000 ] - [ 0.0111879800000000, -0.0012934300000000, -0.0042454600000000 ] - [ 0.0010911100000000, 0.0004734300000000, 0.0003135500000000 ] - [ 0.0056322000000000, -0.0078568800000000, -0.0005209100000000 ] - [ 0.0015873200000000, -0.0006867100000000, -0.0004679600000000 ] - [ 0.0025188000000000, 0.0002884800000000, 0.0011080000000000 ] - [ -0.0001994900000000, 0.0000344300000000, 0.0004802500000000 ] - [ -0.0013711100000000, -0.0006823600000000, 0.0006895900000000 ] - [ 0.0005961000000000, 0.0002867700000000, 0.0008437900000000 ] - [ 0.0006355500000000, -0.0019201800000000, 0.0024106500000000 ] - [ -0.0010026500000000, -0.0003474100000000, -0.0003554400000000 ] - [ -0.0013488700000000, 0.0007223100000000, -0.0006159600000000 ] - [ 0.0018722900000000, 0.0000282300000000, -0.0005880000000000 ] - [ 0.0004208800000000, 0.0010828400000000, -0.0019396100000000 ] - [ 0.0015569400000000, 0.0049504500000000, 0.0078366000000000 ] - [ 0.0036833000000000, 0.0007973900000000, 0.0000559700000000 ] - [ 0.0023488500000000, 0.0010216400000000, 0.0022137600000000 ] - [ -0.0001706900000000, 0.0011950000000000, -0.0013061900000000 ] - [ 0.0047229000000000, -0.0011960400000000, 0.0000971300000000 ] - [ 0.0004324700000000, -0.0005298200000000, 0.0002903200000000 ] - [ 0.0013844000000000, -0.0000730100000000, -0.0002561300000000 ] - [ 0.0005942000000000, 0.0000148400000000, -0.0009233000000000 ] - [ -0.0037266000000000, 0.0041039800000000, 0.0042559800000000 ] - [ -0.0003294100000000, -0.0005906900000000, -0.0003604700000000 ] - [ -0.0005098900000000, -0.0002548900000000, -0.0002439300000000 ] - [ -0.0004658700000000, -0.0008309300000000, -0.0003045900000000 ] - [ -0.0011189600000000, -0.0008498900000000, -0.0001372400000000 ] - [ -0.0019817100000000, 0.0021502000000000, 0.0009635500000000 ] - [ -0.0030333900000000, -0.0000011900000000, 0.0029772500000000 ] - [ -0.0018085100000000, 0.0000427200000000, -0.0004896800000000 ] - [ -0.0053052200000000, 0.0007489300000000, 0.0007436500000000 ] - [ 0.0001831800000000, -0.0003690800000000, -0.0008935600000000 ] - [ -0.0022114500000000, -0.0001573200000000, 0.0001870800000000 ] - [ -0.0002507700000000, 0.0000179700000000, -0.0000442400000000 ] - [ 0.0017415700000000, 0.0009835500000000, -0.0021625800000000 ] - [ 0.0004779900000000, 0.0000752600000000, 0.0016672600000000 ] - [ 0.0027719900000000, 0.0016366800000000, 0.0051385600000000 ] - [ -0.0011857100000000, 0.0012759200000000, -0.0015333300000000 ] - [ -0.0007774500000000, -0.0001772600000000, 0.0000786200000000 ] - [ 0.0002450300000000, -0.0002391700000000, 0.0004423000000000 ] - [ 0.0014264300000000, -0.0021608600000000, 0.0001047700000000 ] - [ -0.0006536600000000, 0.0007910100000000, 0.0020326200000000 ] - [ -0.0031393500000000, -0.0010116100000000, 0.0020691000000000 ] - [ 0.0007421000000000, -0.0004908200000000, -0.0033383600000000 ] - [ -0.0011028400000000, 0.0009703800000000, -0.0002723600000000 ] - [ 0.0005044200000000, 0.0003414100000000, 0.0004005000000000 ] - [ -0.0012121900000000, 0.0004491800000000, 0.0006766700000000 ] - [ -0.0001294400000000, -0.0004736600000000, -0.0002411100000000 ] - [ 0.0020251400000000, -0.0006377100000000, 0.0003311100000000 ] - [ -0.0033302300000000, -0.0002310200000000, 0.0009802700000000 ] - [ -0.0012906300000000, 0.0005011900000000, 0.0002394900000000 ] - [ 0.0008633200000000, 0.0002232800000000, -0.0007735000000000 ] - [ 0.0643074500000000, -0.0081515100000000, -0.0313420000000000 ] - [ 0.0012093800000000, 0.0000092100000000, 0.0002363700000000 ] - [ -0.0010777700000000, 0.0001528800000000, 0.0001295900000000 ] - [ -0.0004988800000000, -0.0004481900000000, -0.0001542500000000 ] - [ 0.0006918900000000, -0.0004460200000000, -0.0009373200000000 ] - [ -0.0002766900000000, 0.0003059500000000, -0.0004570200000000 ] - [ -0.0000472100000000, 0.0008400000000000, -0.0011286300000000 ] - [ 0.1882114200000000, -0.1826573900000000, -0.0077414800000000 ] - [ 0.0037198700000000, -0.0008508400000000, -0.0064612300000000 ] - [ 0.0001532900000000, -0.0005728100000000, 0.0004739100000000 ] - [ -0.0016353900000000, 0.0026626200000000, 0.0011243000000000 ] - [ -0.0002018600000000, 0.0001187000000000, 0.0010602900000000 ] - [ 0.0008662600000000, -0.0002545300000000, 0.0016232500000000 ] - [ -0.0002265800000000, 0.0002205800000000, -0.0004463200000000 ] - [ -0.0003243400000000, 0.0003007800000000, 0.0003847200000000 ] - [ -0.0044079700000000, 0.0010390700000000, -0.0005116100000000 ] - [ 0.0000293100000000, 0.0000789900000000, -0.0008567200000000 ] - [ -0.0007270600000000, -0.0003474400000000, -0.0000207900000000 ] - [ 0.0018968000000000, -0.0024563300000000, -0.0005160900000000 ] - [ -0.0002913600000000, -0.0000488900000000, -0.0006343400000000 ] - [ 0.0015338000000000, 0.0014600200000000, -0.0011224600000000 ] - [ 0.0017280100000000, 0.0041060800000000, -0.0046485700000000 ] - [ -0.0001351500000000, -0.0009329800000000, 0.0018032400000000 ] - [ 0.0007143000000000, -0.0001890600000000, 0.0005622500000000 ] - [ 0.0000318400000000, -0.0004132600000000, 0.0002619000000000 ] - [ 0.0001083000000000, -0.0002965600000000, -0.0000738600000000 ] - [ 0.0049865200000000, 0.0077884500000000, -0.0000877500000000 ] - [ 0.0009022200000000, -0.0002630800000000, 0.0001988200000000 ] - [ 0.0097040300000000, -0.0082198500000000, -0.0116430800000000 ] - [ -0.0029731500000000, 0.0026603700000000, 0.0011855000000000 ] - [ 0.0179125000000000, -0.0026358200000000, 0.0117073200000000 ] - [ -0.0002869400000000, -0.0009961600000000, -0.0007115600000000 ] - [ -0.0002766800000000, 0.0003136300000000, 0.0000795600000000 ] - [ -0.0013645100000000, -0.0117870800000000, 0.0007868100000000 ] - [ 0.0124946300000000, -0.0047624300000000, -0.0037245100000000 ] - [ -0.0015454700000000, -0.0010371100000000, 0.0004234100000000 ] - [ -0.0015661800000000, -0.0001868000000000, 0.0002415500000000 ] - [ 0.3346623600000000, -0.0100545800000000, 0.1835353900000000 ] - [ 0.0003399000000000, -0.0007178400000000, 0.0002131700000000 ] - [ -0.0060267900000000, -0.0003540100000000, 0.0010461300000000 ] - [ 0.1053608500000000, 0.0546429700000000, -0.0127935900000000 ] - [ -0.0003514500000000, 0.0002823400000000, -0.0009913500000000 ] - [ 0.0001479900000000, -0.0009321200000000, -0.0000974900000000 ] - [ -0.0001013800000000, 0.0004757600000000, 0.0004682300000000 ] - [ -0.0010152000000000, 0.0017585900000000, 0.0014977900000000 ] - [ 0.0000701500000000, -0.0002023100000000, -0.0001205900000000 ] - [ 0.0003792800000000, 0.0003138000000000, -0.0020585400000000 ] - [ 0.0002241500000000, 0.0010895700000000, 0.0002953400000000 ] - [ -0.0002215700000000, 0.0002953000000000, 0.0005749800000000 ] - [ 0.0003129800000000, 0.0008005800000000, 0.0004369000000000 ] - [ 0.0012165300000000, -0.0000217500000000, -0.0003737800000000 ] - [ -0.0010199800000000, -0.0000328200000000, -0.0017047600000000 ] - [ -0.0001218700000000, 0.0000373600000000, -0.0005456300000000 ] - [ 0.0001091700000000, -0.0001645400000000, -0.0002974700000000 ] - [ -0.0011233700000000, -0.0005507300000000, 0.0003966700000000 ] - [ -0.0005244300000000, 0.0001953000000000, 0.0005422300000000 ] - [ -0.0003654300000000, 0.0004870400000000, 0.0000940300000000 ] - [ -0.0008119200000000, 0.0012176400000000, -0.0006733900000000 ] - [ 0.0016375400000000, -0.0018222000000000, -0.0021704600000000 ] - [ -0.0007298800000000, -0.0030924500000000, 0.0009210100000000 ] - [ -0.0000593900000000, -0.0003346500000000, 0.0002847400000000 ] - [ -0.0002021800000000, 0.0003241300000000, 0.0007302200000000 ] - [ 0.0005373500000000, -0.0002022200000000, 0.0001001600000000 ] - [ -0.0008142200000000, -0.0001086900000000, -0.0006921600000000 ] - [ -0.0000864400000000, 0.0016955000000000, -0.0002247700000000 ] - [ 0.0004159300000000, 0.0005384700000000, -0.0000207100000000 ] - [ 0.0009420500000000, -0.0003720500000000, 0.0001025600000000 ] - [ -0.0015004000000000, -0.0016432800000000, -0.0025314000000000 ] - [ -0.0010115700000000, -0.0001499200000000, -0.0001365900000000 ] - [ -0.0002170900000000, -0.0002638400000000, 0.0002955600000000 ] - [ 0.0000019100000000, 0.0008845800000000, 0.0004422400000000 ] - [ -0.0018326000000000, -0.0006636500000000, -0.0004024100000000 ] - [ -0.0000260700000000, 0.0000792700000000, 0.0006294700000000 ] - [ -0.0003984100000000, 0.0006065200000000, -0.0005296000000000 ] - [ 0.0009984000000000, -0.0005597500000000, 0.0005277400000000 ] - [ -0.0011040000000000, -0.0012711100000000, 0.0002751800000000 ] - [ -0.0006843000000000, 0.0006079200000000, -0.0002198300000000 ] - [ 0.0008107200000000, -0.0007731100000000, -0.0000004700000000 ] - [ -0.0009008700000000, 0.0005003000000000, -0.0005067000000000 ] - [ -0.0005068900000000, 0.0004419000000000, 0.0002057100000000 ] - [ -0.0007436600000000, -0.0001511300000000, -0.0001344100000000 ] - [ 0.0003570900000000, -0.0012161200000000, 0.0000895800000000 ] - [ -0.0001577800000000, -0.0002938500000000, -0.0005858600000000 ] - [ 0.0000166900000000, 0.0000101800000000, 0.0001443700000000 ] - [ -0.0009265600000000, 0.0002890400000000, 0.0001117100000000 ] - [ -0.0051640000000000, 0.0018769000000000, -0.0005984000000000 ] - [ 0.0003214100000000, 0.0002684500000000, 0.0002553100000000 ] - [ -0.0002790900000000, 0.0002637000000000, -0.0002686200000000 ] - [ -0.0006546100000000, 0.0018397300000000, -0.0012047500000000 ] - [ -0.0003020100000000, -0.0000849900000000, 0.0000075300000000 ] - [ -0.0005347500000000, 0.0009419000000000, -0.0002954700000000 ] - [ -0.0063503200000000, 0.0074055000000000, -0.0003064600000000 ] - [ -0.0007885600000000, -0.0005713600000000, 0.0005389800000000 ] - [ -0.0001853800000000, -0.0000637500000000, -0.0000289500000000 ] - [ -0.0004608600000000, -0.0002017900000000, 0.0014118000000000 ] - [ -0.0007362700000000, -0.0004332400000000, 0.0003078300000000 ] - [ -0.0003556600000000, -0.0008871100000000, 0.0000796400000000 ] - [ -0.0036063300000000, -0.0029840900000000, -0.0063363900000000 ] - [ -0.0006537000000000, 0.0005714200000000, 0.0000358500000000 ] - [ -0.0003298400000000, -0.0000655800000000, 0.0002201100000000 ] - [ -0.0001233800000000, -0.0001966300000000, -0.0005774100000000 ] - [ 0.0002021100000000, 0.0005132800000000, -0.0002713100000000 ] - [ -0.0003610000000000, -0.0004906900000000, -0.0000547500000000 ] - [ 0.0004427100000000, -0.0039875200000000, -0.0020139600000000 ] - [ 0.0002038800000000, 0.0000776200000000, 0.0001537000000000 ] - [ -0.0003878700000000, -0.0006207000000000, 0.0002115400000000 ] - [ -0.0003010300000000, 0.0005014700000000, -0.0003103100000000 ] - [ 0.0002403800000000, 0.0000029500000000, 0.0000750300000000 ] - [ 0.0009807100000000, -0.0008332000000000, -0.0012621200000000 ] - [ -0.0006115600000000, 0.0004443200000000, 0.0000137900000000 ] - [ -0.0004889700000000, -0.0006192300000000, 0.0007203700000000 ] - [ 0.0003620700000000, -0.0002438100000000, 0.0000129500000000 ] - [ -0.0005159800000000, -0.0008042700000000, 0.0000244700000000 ] - [ 0.0007211900000000, -0.0008191500000000, -0.0000972300000000 ] - [ 0.0003793500000000, 0.0007035000000000, 0.0001680300000000 ] - [ 0.0009145000000000, 0.0004379900000000, 0.0000021800000000 ] - [ 0.0004382600000000, 0.0006376200000000, 0.0000009800000000 ] - [ -0.0034815600000000, -0.0005077600000000, -0.0009795500000000 ]- atom: 33 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0110207800000000, -0.0013063800000000, -0.0008162000000000 ] - [ 0.0000777200000000, -0.0002310000000000, -0.0000743400000000 ] - [ 0.0011013400000000, 0.0008792800000000, 0.0007897300000000 ] - [ 0.0003175300000000, 0.0001135700000000, -0.0002244500000000 ] - [ 0.0029248200000000, 0.0043791900000000, 0.0010878100000000 ] - [ -0.0004639300000000, 0.0001873500000000, 0.0000651500000000 ] - [ 0.0001150200000000, 0.0000673900000000, 0.0006752200000000 ] - [ -0.0007470800000000, -0.0003108600000000, -0.0016526400000000 ] - [ 0.0000355600000000, 0.0001045500000000, -0.0001154800000000 ] - [ -0.0020901700000000, -0.0012009700000000, 0.0004479000000000 ] - [ -0.0005666500000000, -0.0000802400000000, -0.0001626500000000 ] - [ -0.0010635900000000, 0.0000367600000000, 0.0002006400000000 ] - [ -0.0003552600000000, 0.0000387500000000, -0.0001707400000000 ] - [ 0.0006444800000000, -0.0002308000000000, 0.0000955000000000 ] - [ 0.0001320300000000, 0.0006710000000000, 0.0005704100000000 ] - [ 0.0000767100000000, -0.0000208600000000, -0.0001303500000000 ] - [ -0.0030174200000000, -0.0013164300000000, 0.0001804400000000 ] - [ -0.0026517300000000, -0.0009892500000000, 0.0014244800000000 ] - [ -0.0138988600000000, 0.0114111500000000, -0.0149973800000000 ] - [ 0.0004623800000000, 0.0019244700000000, 0.0006763200000000 ] - [ 0.0017640100000000, -0.0008718800000000, 0.0001032700000000 ] - [ 0.0014193800000000, -0.0005355800000000, -0.0003278300000000 ] - [ -0.0007731300000000, 0.0001866700000000, -0.0004937700000000 ] - [ -0.0007660900000000, -0.0026744700000000, -0.0024734200000000 ] - [ 0.0005187200000000, 0.0000515600000000, 0.0005294900000000 ] - [ 0.0012763300000000, 0.0001024100000000, -0.0004303400000000 ] - [ -0.0004580600000000, 0.0005315000000000, -0.0003880800000000 ] - [ -0.0012858800000000, 0.0007177500000000, 0.0008442400000000 ] - [ -0.0009514900000000, 0.0003342700000000, -0.0003551100000000 ] - [ -0.0012051800000000, 0.0009648100000000, 0.0006612300000000 ] - [ -0.0061270000000000, 0.0218668600000000, -0.0208588000000000 ] - [ -0.0011375000000000, -0.0010572600000000, -0.0007991400000000 ] - [ 0.6958206900000000, -0.1501777900000000, 0.1365552700000000 ] - [ 0.0001335000000000, 0.0007854900000000, -0.0017296500000000 ] - [ 0.0010699300000000, -0.0009389200000000, 0.0004524300000000 ] - [ 0.0011366400000000, 0.0024277400000000, -0.0044588700000000 ] - [ 0.0009604300000000, -0.0007265900000000, 0.0006899900000000 ] - [ -0.0069635400000000, -0.0002546200000000, 0.0009459700000000 ] - [ 0.0273193100000000, -0.0475265800000000, 0.0087596800000000 ] - [ -0.0018022300000000, 0.0011711800000000, -0.0023803100000000 ] - [ -0.0041860700000000, 0.0009544200000000, -0.0004050900000000 ] - [ -0.0006976800000000, 0.0007811600000000, 0.0013218100000000 ] - [ 0.0010583400000000, 0.0023158500000000, -0.0084435400000000 ] - [ 0.0003382200000000, -0.0005499800000000, 0.0012130800000000 ] - [ -0.0003824100000000, -0.0004640000000000, -0.0007857600000000 ] - [ 0.0018034300000000, -0.0000354800000000, 0.0013632700000000 ] - [ 0.0013686600000000, -0.0026263600000000, -0.0014552000000000 ] - [ -0.0011481900000000, 0.0006906500000000, 0.0010095100000000 ] - [ 0.0017594700000000, -0.0006927600000000, -0.0020874100000000 ] - [ -0.0054114100000000, 0.0041362200000000, 0.0024353900000000 ] - [ 0.0022735900000000, -0.0032181900000000, 0.0008614000000000 ] - [ 0.0275067300000000, 0.0033571300000000, 0.0046725700000000 ] - [ -0.0014542400000000, -0.0004234600000000, 0.0004537200000000 ] - [ 0.0004495900000000, -0.0055786600000000, 0.0008732700000000 ] - [ -0.0033005000000000, 0.0008654400000000, 0.0052454200000000 ] - [ -0.0109864000000000, 0.0001259300000000, 0.0035469600000000 ] - [ -0.0003388900000000, 0.0007117000000000, -0.0000251100000000 ] - [ -0.0059130900000000, 0.0085977800000000, -0.0006629000000000 ] - [ -0.0013016600000000, -0.0000692200000000, -0.0007221800000000 ] - [ -0.0022409800000000, 0.0004661800000000, 0.0000770100000000 ] - [ 0.0009713900000000, 0.0002567000000000, 0.0006936600000000 ] - [ 0.0001961700000000, 0.0003949300000000, 0.0000720900000000 ] - [ -0.0013608400000000, -0.0005721100000000, 0.0003376500000000 ] - [ -0.0018260000000000, 0.0011646300000000, -0.0021151200000000 ] - [ 0.0007152400000000, 0.0015307700000000, -0.0004064600000000 ] - [ 0.0005871400000000, 0.0004584800000000, 0.0003263700000000 ] - [ -0.0011184300000000, -0.0012101100000000, 0.0003032500000000 ] - [ 0.0003287300000000, -0.0013618900000000, 0.0007566900000000 ] - [ -0.0003883500000000, -0.0052568600000000, -0.0086178600000000 ] - [ -0.0025027900000000, -0.0000352900000000, 0.0002219600000000 ] - [ -0.0020642200000000, 0.0001523900000000, -0.0014553300000000 ] - [ -0.0010057100000000, -0.0004299300000000, 0.0010157900000000 ] - [ -0.0035532700000000, 0.0004286800000000, -0.0003804900000000 ] - [ 0.0007477200000000, 0.0008153600000000, 0.0004684500000000 ] - [ -0.0025693800000000, 0.0003578500000000, -0.0005063600000000 ] - [ -0.0013618600000000, 0.0002777000000000, -0.0002479500000000 ] - [ 0.0034369800000000, -0.0053047400000000, -0.0035352600000000 ] - [ -0.0004282400000000, -0.0005900200000000, 0.0006500200000000 ] - [ 0.0002272200000000, -0.0005033100000000, 0.0014276300000000 ] - [ 0.0007555700000000, -0.0003473200000000, -0.0004562400000000 ] - [ 0.0007551100000000, 0.0003721200000000, -0.0005066800000000 ] - [ 0.0021081300000000, -0.0008688600000000, -0.0004666500000000 ] - [ 0.0023804500000000, 0.0003849800000000, -0.0024608700000000 ] - [ 0.0013723400000000, 0.0006929300000000, 0.0009063600000000 ] - [ 0.0066424100000000, -0.0008743900000000, -0.0012662100000000 ] - [ 0.0002476000000000, 0.0011157400000000, 0.0004712700000000 ] - [ 0.0014768800000000, -0.0002804900000000, -0.0006058600000000 ] - [ -0.0002587300000000, 0.0001020200000000, -0.0012679600000000 ] - [ -0.0021432300000000, -0.0017333400000000, 0.0017251500000000 ] - [ -0.0003607200000000, 0.0004331000000000, -0.0003577400000000 ] - [ -0.0024061100000000, -0.0010002200000000, -0.0057461200000000 ] - [ 0.0004433800000000, -0.0008800400000000, 0.0019828300000000 ] - [ 0.0003418000000000, -0.0005638600000000, -0.0004914000000000 ] - [ 0.0001362300000000, -0.0002559000000000, 0.0001961800000000 ] - [ -0.0009926900000000, 0.0014136200000000, 0.0003188800000000 ] - [ 0.0002182000000000, -0.0003791000000000, -0.0012729100000000 ] - [ 0.0038055900000000, 0.0005171200000000, -0.0017009000000000 ] - [ -0.0006227400000000, -0.0000153700000000, 0.0020234200000000 ] - [ 0.0006023400000000, -0.0005918600000000, 0.0009196800000000 ] - [ -0.0001309100000000, 0.0001507100000000, -0.0010466000000000 ] - [ 0.0007142200000000, 0.0001930600000000, -0.0002923400000000 ] - [ 0.0006020000000000, -0.0001697900000000, 0.0006051300000000 ] - [ -0.0007109300000000, 0.0007653800000000, 0.0001811300000000 ] - [ 0.0020170400000000, -0.0002786200000000, -0.0008546900000000 ] - [ 0.0006558500000000, -0.0000156700000000, 0.0001371600000000 ] - [ -0.0003728900000000, 0.0001560800000000, 0.0001335300000000 ] - [ -0.0640717400000000, 0.0082376400000000, 0.0325942500000000 ] - [ -0.0007797300000000, 0.0004053300000000, -0.0009842700000000 ] - [ 0.0015871200000000, -0.0005404200000000, 0.0005145700000000 ] - [ -0.0002439400000000, 0.0000197300000000, -0.0002677500000000 ] - [ 0.0000504700000000, 0.0008675600000000, 0.0005062800000000 ] - [ 0.0009204700000000, 0.0000662200000000, -0.0000268100000000 ] - [ 0.0013374500000000, -0.0003306900000000, 0.0012445100000000 ] - [ -0.1916552400000000, 0.1913489400000000, 0.0090148100000000 ] - [ -0.0043845900000000, 0.0003473700000000, 0.0061225900000000 ] - [ 0.0003515000000000, -0.0007338200000000, -0.0005963600000000 ] - [ 0.0009962500000000, -0.0030450100000000, -0.0016189000000000 ] - [ 0.0000849200000000, 0.0003919000000000, -0.0023516300000000 ] - [ -0.0016134600000000, 0.0006936800000000, -0.0011984200000000 ] - [ -0.0010831100000000, 0.0002913600000000, 0.0003260600000000 ] - [ -0.0000709300000000, 0.0001473000000000, 0.0003577400000000 ] - [ 0.0031077200000000, -0.0009253200000000, 0.0000001900000000 ] - [ -0.0001525500000000, -0.0005984700000000, 0.0021669900000000 ] - [ 0.0002363000000000, -0.0000338600000000, -0.0006159900000000 ] - [ -0.0020205900000000, 0.0037806400000000, 0.0000218100000000 ] - [ -0.0001394100000000, -0.0003743300000000, -0.0001087800000000 ] - [ -0.0010950700000000, -0.0018674300000000, 0.0018585000000000 ] - [ -0.0010949300000000, -0.0044697900000000, 0.0051293500000000 ] - [ -0.0003730800000000, 0.0008085800000000, -0.0004936800000000 ] - [ 0.0000222200000000, -0.0002301500000000, -0.0001274000000000 ] - [ -0.0004517600000000, -0.0000240200000000, -0.0010050800000000 ] - [ 0.0006347900000000, -0.0001280700000000, 0.0005057700000000 ] - [ -0.0055441600000000, -0.0065310700000000, -0.0000411500000000 ] - [ 0.0003938800000000, -0.0002417800000000, -0.0003176200000000 ] - [ -0.0091782700000000, 0.0081183100000000, 0.0103476700000000 ] - [ 0.0034791000000000, -0.0020389900000000, -0.0015804600000000 ] - [ -0.0175257800000000, 0.0019784100000000, -0.0112200700000000 ] - [ 0.0004078400000000, -0.0003110000000000, 0.0002006600000000 ] - [ -0.0001290800000000, 0.0003313100000000, 0.0004519700000000 ] - [ 0.0017163600000000, 0.0112350200000000, -0.0000518400000000 ] - [ -0.0121852700000000, 0.0052217000000000, 0.0030101100000000 ] - [ 0.0014288600000000, -0.0002746800000000, 0.0000880800000000 ] - [ 0.0002644500000000, 0.0000670700000000, 0.0002723600000000 ] - [ -0.3196700500000000, 0.0097196700000000, -0.1702868500000000 ] - [ -0.0007231900000000, 0.0000753400000000, -0.0007127600000000 ] - [ 0.0065281900000000, -0.0004028800000000, -0.0006542200000000 ] - [ -0.1076696100000000, -0.0597434600000000, 0.0137712000000000 ] - [ 0.0009931200000000, 0.0002238800000000, 0.0006074100000000 ] - [ 0.0003651700000000, 0.0022325400000000, 0.0002172400000000 ] - [ 0.0005060300000000, 0.0002632700000000, -0.0009169600000000 ] - [ 0.0017556500000000, -0.0013198800000000, -0.0019077100000000 ] - [ -0.0005722900000000, -0.0004377800000000, -0.0002667600000000 ] - [ -0.0007584400000000, -0.0008156800000000, 0.0014138000000000 ] - [ -0.0001034200000000, 0.0002189500000000, 0.0002186200000000 ] - [ -0.0004184300000000, 0.0000897600000000, -0.0000804000000000 ] - [ -0.0007492500000000, -0.0000644200000000, -0.0000147200000000 ] - [ 0.0000843800000000, -0.0000985200000000, -0.0001400900000000 ] - [ 0.0014549000000000, 0.0007847500000000, 0.0013012400000000 ] - [ -0.0006204700000000, -0.0004754200000000, 0.0001334500000000 ] - [ -0.0006159900000000, 0.0002837600000000, -0.0010048800000000 ] - [ 0.0007040800000000, -0.0001887600000000, -0.0008342200000000 ] - [ 0.0006451500000000, 0.0003129100000000, 0.0007691500000000 ] - [ 0.0007631500000000, 0.0001514900000000, -0.0006078700000000 ] - [ 0.0000725400000000, -0.0008050300000000, 0.0011091000000000 ] - [ -0.0020901900000000, 0.0010893800000000, 0.0017849000000000 ] - [ 0.0011187700000000, 0.0025795000000000, -0.0002858800000000 ] - [ 0.0004706800000000, -0.0004065500000000, 0.0001532700000000 ] - [ -0.0002470700000000, 0.0000742600000000, 0.0000066500000000 ] - [ 0.0001031700000000, -0.0003051500000000, 0.0002906100000000 ] - [ 0.0009390300000000, -0.0004037700000000, -0.0006195900000000 ] - [ -0.0004026600000000, -0.0013148200000000, 0.0008582800000000 ] - [ -0.0000245700000000, -0.0000312200000000, -0.0006198600000000 ] - [ -0.0014511400000000, 0.0010201900000000, 0.0002862600000000 ] - [ 0.0020153400000000, 0.0010047400000000, 0.0029326700000000 ] - [ 0.0023191100000000, 0.0002709300000000, 0.0006505300000000 ] - [ -0.0010936800000000, -0.0002409800000000, -0.0001770500000000 ] - [ -0.0006501800000000, -0.0003847400000000, -0.0000626700000000 ] - [ 0.0023417600000000, 0.0010554000000000, -0.0002392200000000 ] - [ 0.0005362600000000, 0.0000400100000000, 0.0006738600000000 ] - [ 0.0008452000000000, -0.0002062500000000, -0.0002116800000000 ] - [ -0.0005085100000000, 0.0001883400000000, 0.0001200200000000 ] - [ 0.0003513400000000, 0.0008455300000000, -0.0006993800000000 ] - [ 0.0014291500000000, -0.0001906100000000, -0.0002157700000000 ] - [ -0.0001644000000000, 0.0011553700000000, -0.0005061700000000 ] - [ 0.0022107900000000, 0.0000129700000000, 0.0006257300000000 ] - [ 0.0001302400000000, 0.0000450100000000, 0.0004313400000000 ] - [ 0.0001032200000000, -0.0003376700000000, -0.0002401400000000 ] - [ 0.0001599500000000, -0.0000911900000000, -0.0002090500000000 ] - [ -0.0004857800000000, -0.0000826800000000, 0.0000968000000000 ] - [ -0.0001384600000000, 0.0004963100000000, -0.0014562000000000 ] - [ 0.0001868500000000, 0.0001487900000000, 0.0003035800000000 ] - [ 0.0038656200000000, -0.0013637900000000, 0.0004788100000000 ] - [ -0.0007372300000000, 0.0001668600000000, 0.0004882100000000 ] - [ -0.0010273800000000, -0.0001431500000000, -0.0002417800000000 ] - [ 0.0005359300000000, -0.0023512600000000, 0.0025014900000000 ] - [ -0.0001807600000000, -0.0002867100000000, -0.0006515100000000 ] - [ 0.0004167600000000, 0.0003642000000000, -0.0002150300000000 ] - [ 0.0059203000000000, -0.0077971400000000, -0.0004692900000000 ] - [ 0.0012398100000000, 0.0001749300000000, 0.0001994900000000 ] - [ 0.0008283300000000, -0.0003184700000000, 0.0005252100000000 ] - [ -0.0000460200000000, 0.0000820800000000, -0.0001077400000000 ] - [ 0.0014735200000000, 0.0000336400000000, 0.0001445000000000 ] - [ -0.0000345100000000, 0.0004301600000000, -0.0008167500000000 ] - [ 0.0043919600000000, 0.0025674300000000, 0.0067672100000000 ] - [ 0.0001435900000000, 0.0007287800000000, -0.0001564300000000 ] - [ 0.0016377300000000, -0.0004430000000000, -0.0003382700000000 ] - [ 0.0006387900000000, 0.0000741400000000, -0.0007333700000000 ] - [ 0.0002968600000000, 0.0001293600000000, -0.0001115400000000 ] - [ 0.0007441700000000, -0.0001537100000000, 0.0005547900000000 ] - [ -0.0003219700000000, 0.0026964600000000, 0.0015080400000000 ] - [ -0.0005724900000000, 0.0005670600000000, 0.0003271400000000 ] - [ 0.0008100500000000, 0.0001892500000000, 0.0005324400000000 ] - [ 0.0007146000000000, -0.0000657600000000, -0.0004318200000000 ] - [ -0.0003627600000000, -0.0013104100000000, 0.0004348700000000 ] - [ -0.0022775400000000, 0.0007194600000000, 0.0017724500000000 ] - [ 0.0002203400000000, 0.0003005700000000, 0.0004361000000000 ] - [ 0.0000996400000000, -0.0000196200000000, -0.0012303000000000 ] - [ 0.0000812100000000, -0.0004978400000000, 0.0003893400000000 ] - [ 0.0000006100000000, -0.0005047100000000, 0.0000946600000000 ] - [ -0.0000745700000000, 0.0013038800000000, -0.0002684000000000 ] - [ 0.0001242200000000, 0.0005991600000000, -0.0000504200000000 ] - [ -0.0005135000000000, 0.0003033300000000, -0.0004462800000000 ] - [ 0.0003076000000000, -0.0002009700000000, -0.0004121500000000 ] - [ 0.0029894700000000, -0.0001318200000000, 0.0005945700000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0005542500000000, -0.0016957100000000, 0.0001248500000000 ] - [ 0.0001703600000000, 0.0000883900000000, -0.0000362900000000 ] - [ 0.0000787500000000, 0.0003478100000000, -0.0031483400000000 ] - [ -0.0002434600000000, 0.0022309800000000, 0.0005224800000000 ] - [ -0.0004237800000000, 0.0118104500000000, 0.0018721800000000 ] - [ 0.0001545600000000, 0.0005391900000000, 0.0000097600000000 ] - [ -0.0002637700000000, 0.0001668900000000, 0.0007006100000000 ] - [ -0.0001765100000000, -0.0015270200000000, -0.0007266500000000 ] - [ 0.0001385600000000, 0.0005254000000000, -0.0000596100000000 ] - [ 0.0034410400000000, 0.0004224900000000, -0.0005207400000000 ] - [ -0.0001759300000000, 0.0002287800000000, -0.0003042300000000 ] - [ -0.0000953400000000, -0.0002839700000000, 0.0001980700000000 ] - [ -0.0001098300000000, -0.0000639500000000, -0.0000596200000000 ] - [ 0.0002606300000000, -0.0008285100000000, 0.0003463600000000 ] - [ -0.0011933700000000, 0.0002468300000000, 0.0005505100000000 ] - [ -0.0001157400000000, 0.0005942000000000, 0.0000206600000000 ] - [ 0.0001693600000000, -0.0009841400000000, -0.0007669400000000 ] - [ 0.0002822300000000, -0.0015841500000000, 0.0003198500000000 ] - [ -0.0235902000000000, 0.0074967600000000, -0.0216607000000000 ] - [ -0.0015346700000000, -0.0018666000000000, 0.0021386400000000 ] - [ 0.0003199200000000, 0.0031134400000000, 0.0010385400000000 ] - [ -0.0003178900000000, -0.0011890300000000, 0.0002620400000000 ] - [ -0.0004583900000000, 0.0013133000000000, -0.0001913700000000 ] - [ 0.0038888900000000, 0.0065343800000000, 0.0028190500000000 ] - [ 0.0002781200000000, 0.0007619000000000, -0.0004891200000000 ] - [ 0.0010876800000000, 0.0017802100000000, -0.0010196600000000 ] - [ -0.0004081400000000, 0.0007820800000000, -0.0002321200000000 ] - [ -0.0005614000000000, 0.0020590400000000, 0.0006366600000000 ] - [ 0.0003962800000000, -0.0008430700000000, 0.0003174800000000 ] - [ -0.0003811900000000, 0.0012607700000000, 0.0001245800000000 ] - [ -0.0085283900000000, -0.0076437200000000, -0.0044685500000000 ] - [ 0.0001310800000000, -0.0005180700000000, 0.0002381000000000 ] - [ 0.1603807000000000, -0.6206370100000000, 0.0012674800000000 ] - [ -0.0008202500000000, 0.0013520300000000, -0.0019870900000000 ] - [ -0.0005366900000000, 0.0059864600000000, -0.0021491500000000 ] - [ -0.0004633200000000, 0.0063787900000000, -0.0096532900000000 ] - [ 0.0002730500000000, 0.0033212600000000, 0.0005193100000000 ] - [ -0.0021387600000000, -0.0016680800000000, 0.0014168500000000 ] - [ -0.0058226500000000, 0.0945644200000000, -0.0139342000000000 ] - [ -0.0034966300000000, 0.0008424900000000, -0.0029418600000000 ] - [ -0.0030310800000000, 0.0013438100000000, 0.0005606300000000 ] - [ -0.0001902200000000, -0.0021238000000000, -0.0000257300000000 ] - [ 0.0032451700000000, 0.0042550500000000, 0.0219730200000000 ] - [ 0.0017235900000000, -0.0015686500000000, -0.0022019700000000 ] - [ 0.0019865400000000, 0.0021315200000000, 0.0007545200000000 ] - [ 0.0001024400000000, 0.0034721100000000, -0.0008915000000000 ] - [ 0.0017673200000000, 0.0005002600000000, 0.0008182000000000 ] - [ -0.0011935100000000, -0.0007912300000000, 0.0000896400000000 ] - [ 0.0011890100000000, 0.0001714900000000, -0.0032270300000000 ] - [ -0.0096264900000000, 0.0013263800000000, 0.0054259400000000 ] - [ 0.0000991700000000, 0.0001982700000000, 0.0043040200000000 ] - [ 0.0077905100000000, -0.0116783000000000, 0.0141029700000000 ] - [ 0.0004156800000000, 0.0009223800000000, 0.0006174000000000 ] - [ 0.0046391200000000, 0.0014487900000000, -0.0012698400000000 ] - [ -0.0016725100000000, -0.0032396100000000, -0.0001017500000000 ] - [ -0.0047514700000000, -0.0082208200000000, 0.0043141400000000 ] - [ 0.0002557900000000, 0.0014860300000000, 0.0001456700000000 ] - [ -0.0037085700000000, 0.0013431700000000, -0.0007491400000000 ] - [ -0.0000586100000000, -0.0011590500000000, -0.0006102100000000 ] - [ -0.0008952700000000, 0.0002196900000000, 0.0001224600000000 ] - [ 0.0002819700000000, -0.0013253100000000, 0.0005204200000000 ] - [ -0.0006103900000000, 0.0018222400000000, 0.0002514500000000 ] - [ -0.0007144400000000, 0.0003925000000000, 0.0004132900000000 ] - [ -0.0034843500000000, 0.0008357100000000, -0.0010781800000000 ] - [ -0.0003857300000000, 0.0013509600000000, -0.0000204600000000 ] - [ -0.0005074400000000, 0.0031282700000000, -0.0001952600000000 ] - [ -0.0002381400000000, -0.0002738200000000, 0.0002798100000000 ] - [ 0.0021799700000000, 0.0015056000000000, -0.0022070500000000 ] - [ 0.0007487000000000, -0.0023320500000000, -0.0003008100000000 ] - [ 0.0001057400000000, -0.0008340400000000, -0.0004222300000000 ] - [ 0.0030795800000000, 0.0005056000000000, 0.0035894700000000 ] - [ 0.0001410700000000, 0.0045160000000000, -0.0016358700000000 ] - [ -0.0001417900000000, 0.0000394800000000, -0.0002986800000000 ] - [ 0.0001227400000000, 0.0012464800000000, 0.0008939200000000 ] - [ -0.0000717500000000, 0.0006953400000000, 0.0004564500000000 ] - [ -0.0006316200000000, 0.0011767600000000, -0.0004085700000000 ] - [ 0.0008559600000000, -0.0082273900000000, 0.0010863300000000 ] - [ -0.0003786700000000, -0.0010684300000000, -0.0003163900000000 ] - [ 0.0004180200000000, 0.0015979600000000, 0.0000745700000000 ] - [ 0.0000494400000000, 0.0009260500000000, -0.0005456200000000 ] - [ -0.0000584000000000, -0.0001673600000000, -0.0004809900000000 ] - [ 0.0027737500000000, 0.0031040500000000, -0.0001681500000000 ] - [ -0.0001278600000000, 0.0016287200000000, 0.0010464300000000 ] - [ 0.0004359400000000, 0.0003221300000000, 0.0004653600000000 ] - [ 0.0028588600000000, 0.0006280500000000, -0.0012282600000000 ] - [ -0.0002923000000000, 0.0005215500000000, -0.0006047400000000 ] - [ -0.0002328400000000, 0.0006491600000000, -0.0009809200000000 ] - [ -0.0002592300000000, 0.0006203100000000, -0.0008066600000000 ] - [ 0.0024324500000000, 0.0001583700000000, -0.0054502500000000 ] - [ 0.0002049900000000, -0.0016937800000000, 0.0010944700000000 ] - [ -0.0007506800000000, 0.0011136600000000, -0.0027874600000000 ] - [ 0.0009532900000000, -0.0002828900000000, 0.0020355100000000 ] - [ -0.0003019900000000, -0.0008406000000000, -0.0002130900000000 ] - [ 0.0000273800000000, -0.0002329500000000, 0.0004232600000000 ] - [ -0.0028229200000000, -0.0027316500000000, -0.0001182700000000 ] - [ 0.0010948500000000, 0.0018135300000000, 0.0002472600000000 ] - [ -0.0003750100000000, 0.0035755200000000, -0.0017462200000000 ] - [ -0.0005299500000000, -0.0003241300000000, 0.0037627700000000 ] - [ 0.0010772300000000, -0.0010441800000000, 0.0010277100000000 ] - [ 0.0006602600000000, 0.0013712700000000, -0.0006280900000000 ] - [ -0.0002146200000000, 0.0001403500000000, -0.0000010200000000 ] - [ -0.0007074800000000, -0.0016651700000000, -0.0006620000000000 ] - [ -0.0008516100000000, -0.0000392900000000, -0.0005865600000000 ] - [ 0.0000215900000000, 0.0004070700000000, 0.0001813200000000 ] - [ 0.0001955800000000, -0.0005836300000000, -0.0002813200000000 ] - [ -0.0003094800000000, -0.0002785300000000, 0.0003560500000000 ] - [ -0.0097766300000000, 0.0481249500000000, 0.0257899800000000 ] - [ 0.0012143500000000, -0.0033778900000000, -0.0001246500000000 ] - [ 0.0002835000000000, 0.0004328000000000, 0.0006007700000000 ] - [ -0.0002653400000000, 0.0003834500000000, -0.0004657700000000 ] - [ 0.0003266000000000, 0.0008390300000000, 0.0005432900000000 ] - [ 0.0003185800000000, 0.0005119200000000, -0.0003776900000000 ] - [ 0.0034937500000000, -0.0008729500000000, 0.0023782900000000 ] - [ -0.1889025100000000, 0.3111989900000000, 0.0222661300000000 ] - [ 0.0000548800000000, 0.0035817600000000, 0.0018446000000000 ] - [ -0.0002676600000000, 0.0010303200000000, 0.0004203600000000 ] - [ 0.0008579100000000, -0.0007557800000000, -0.0002790400000000 ] - [ 0.0001503600000000, 0.0009344100000000, -0.0006855600000000 ] - [ -0.0011574400000000, -0.0010566100000000, -0.0025683100000000 ] - [ -0.0002398600000000, -0.0001118600000000, 0.0006571800000000 ] - [ -0.0005878000000000, -0.0008562900000000, 0.0005601800000000 ] - [ 0.0034387600000000, -0.0005469500000000, -0.0003251000000000 ] - [ 0.0001295900000000, -0.0005788400000000, 0.0024542900000000 ] - [ -0.0010684100000000, -0.0020438100000000, 0.0001419000000000 ] - [ -0.0010285600000000, 0.0033988900000000, -0.0029439500000000 ] - [ 0.0001565600000000, -0.0009591400000000, -0.0001493800000000 ] - [ -0.0013829100000000, -0.0038555000000000, 0.0029257200000000 ] - [ 0.0002462900000000, -0.0077639900000000, 0.0087153000000000 ] - [ -0.0016360500000000, -0.0008525800000000, 0.0020093500000000 ] - [ 0.0003136800000000, -0.0015665900000000, 0.0005050600000000 ] - [ -0.0011385200000000, -0.0001651200000000, 0.0005570800000000 ] - [ -0.0000240400000000, -0.0013407000000000, -0.0005666400000000 ] - [ 0.0003402700000000, 0.0073843400000000, -0.0063419800000000 ] - [ 0.0006405100000000, -0.0019039100000000, 0.0002812300000000 ] - [ 0.0048855700000000, -0.0132130800000000, -0.0172315600000000 ] - [ 0.0074405500000000, -0.0039179200000000, -0.0034786100000000 ] - [ 0.0122499900000000, -0.0099272800000000, 0.0131923200000000 ] - [ -0.0003290400000000, -0.0018142200000000, -0.0010249300000000 ] - [ -0.0000843100000000, 0.0008834000000000, 0.0002775600000000 ] - [ -0.0066292400000000, -0.0155668300000000, -0.0003627300000000 ] - [ -0.0071083900000000, 0.0109781700000000, 0.0049937700000000 ] - [ 0.0007382900000000, 0.0000627100000000, -0.0001088400000000 ] - [ -0.0014651900000000, -0.0006462400000000, 0.0001978700000000 ] - [ -0.0179703600000000, 0.0626293900000000, -0.0166937600000000 ] - [ -0.0006486200000000, -0.0007408600000000, 0.0002109600000000 ] - [ 0.0070445000000000, 0.0054144400000000, -0.0013577200000000 ] - [ 0.0705722400000000, 0.1256264000000000, -0.0206788300000000 ] - [ -0.0004849800000000, 0.0010541600000000, -0.0012704400000000 ] - [ -0.0008298500000000, -0.0018507400000000, -0.0000184200000000 ] - [ 0.0001650200000000, 0.0011074800000000, -0.0003251000000000 ] - [ 0.0025917700000000, -0.0015012700000000, -0.0028454800000000 ] - [ -0.0002757700000000, -0.0008664900000000, -0.0000053800000000 ] - [ -0.0022943000000000, -0.0034253800000000, -0.0040845100000000 ] - [ 0.0000319200000000, -0.0003206600000000, 0.0000804600000000 ] - [ -0.0005671500000000, -0.0004839300000000, 0.0002226800000000 ] - [ -0.0003344800000000, 0.0001197800000000, 0.0003380700000000 ] - [ 0.0008745400000000, -0.0005517600000000, -0.0002180900000000 ] - [ -0.0023990300000000, 0.0003056300000000, -0.0025039500000000 ] - [ -0.0001476400000000, -0.0014170800000000, 0.0002537300000000 ] - [ -0.0000798800000000, -0.0008280100000000, -0.0002887700000000 ] - [ 0.0002720900000000, -0.0004850700000000, -0.0006826200000000 ] - [ 0.0001839200000000, 0.0005787900000000, 0.0009394800000000 ] - [ 0.0002991600000000, -0.0001043300000000, -0.0003706700000000 ] - [ 0.0002745500000000, -0.0006868900000000, 0.0008152600000000 ] - [ -0.0005613600000000, 0.0013409400000000, -0.0001890000000000 ] - [ -0.0011519200000000, -0.0000407300000000, 0.0007080900000000 ] - [ 0.0001087700000000, -0.0002207400000000, 0.0002651300000000 ] - [ -0.0006404500000000, -0.0010145500000000, 0.0002110900000000 ] - [ 0.0002087100000000, -0.0010435800000000, 0.0005789000000000 ] - [ 0.0003035500000000, -0.0003244900000000, -0.0004697500000000 ] - [ 0.0019656400000000, -0.0003667500000000, 0.0017969500000000 ] - [ -0.0000187700000000, -0.0009039600000000, -0.0004006800000000 ] - [ 0.0001981200000000, 0.0006191100000000, -0.0009723000000000 ] - [ 0.0001748700000000, 0.0001372600000000, 0.0001288000000000 ] - [ -0.0007828400000000, -0.0001567400000000, -0.0003511500000000 ] - [ -0.0011030400000000, -0.0011768300000000, 0.0003034600000000 ] - [ -0.0003416900000000, 0.0001250800000000, -0.0006336000000000 ] - [ 0.0002950100000000, 0.0005814500000000, -0.0001998100000000 ] - [ 0.0002791800000000, -0.0002113000000000, 0.0005226600000000 ] - [ 0.0001656000000000, 0.0005912400000000, -0.0003712100000000 ] - [ 0.0009064400000000, -0.0016338800000000, 0.0002150900000000 ] - [ -0.0017537400000000, -0.0030905400000000, 0.0010196400000000 ] - [ 0.0005138600000000, -0.0001317800000000, -0.0002108600000000 ] - [ 0.0008449700000000, -0.0035805100000000, 0.0010176700000000 ] - [ 0.0020493300000000, 0.0004154200000000, 0.0004217900000000 ] - [ 0.0000456400000000, -0.0002044600000000, 0.0003514900000000 ] - [ -0.0002988000000000, -0.0010688600000000, -0.0004820900000000 ] - [ 0.0002590700000000, -0.0023380800000000, -0.0000357800000000 ] - [ -0.0001193900000000, -0.0001232000000000, 0.0000667900000000 ] - [ -0.0001667400000000, -0.0007168700000000, 0.0001473400000000 ] - [ -0.0004720800000000, 0.0003173400000000, -0.0001079400000000 ] - [ 0.0006568400000000, 0.0001797000000000, 0.0001231400000000 ] - [ 0.0000476700000000, 0.0009066800000000, 0.0002836100000000 ] - [ -0.0003107500000000, -0.0002384500000000, -0.0002537600000000 ] - [ 0.0006909000000000, -0.0004923800000000, 0.0010087100000000 ] - [ 0.0002292200000000, 0.0005225900000000, -0.0006075000000000 ] - [ -0.0001182400000000, -0.0001347700000000, -0.0003144600000000 ] - [ 0.0009274700000000, 0.0007985000000000, 0.0001730700000000 ] - [ 0.0005012300000000, 0.0002682900000000, 0.0003842000000000 ] - [ 0.0005557200000000, -0.0003058400000000, 0.0004469300000000 ] - [ -0.0005615600000000, 0.0001253400000000, 0.0013365300000000 ] - [ 0.0004880800000000, 0.0005090100000000, 0.0006683600000000 ] - [ -0.0006565600000000, -0.0002745100000000, 0.0000373300000000 ] - [ 0.0003405500000000, 0.0004129200000000, 0.0003167200000000 ] - [ -0.0001008700000000, 0.0000096300000000, -0.0000610800000000 ] - [ 0.0008870800000000, 0.0000449700000000, -0.0001009800000000 ] - [ 0.0004255300000000, -0.0001987600000000, -0.0008419800000000 ] - [ 0.0005429200000000, 0.0000435100000000, -0.0003884900000000 ] - [ 0.0004518800000000, -0.0004866000000000, 0.0004545600000000 ] - [ -0.0004077300000000, 0.0003733600000000, -0.0005079100000000 ] - [ -0.0002862500000000, -0.0008075600000000, 0.0001404100000000 ] - [ 0.0002482000000000, -0.0002245500000000, 0.0003949800000000 ] - [ 0.0005225800000000, -0.0003028900000000, -0.0004816900000000 ] - [ -0.0001332200000000, -0.0017982800000000, 0.0000938400000000 ] - [ -0.0005580300000000, 0.0013141000000000, 0.0002748500000000 ] - [ -0.0001293000000000, 0.0000236600000000, 0.0002563200000000 ] - [ -0.0009215100000000, 0.0002987900000000, 0.0003155100000000 ] - [ 0.0001901400000000, -0.0008434300000000, 0.0003088000000000 ] - [ -0.0002631500000000, -0.0012528500000000, 0.0001562400000000 ] - [ -0.0001384800000000, -0.0000295900000000, -0.0006260000000000 ] - [ 0.0002427800000000, 0.0015245300000000, 0.0002154100000000 ] - [ 0.0001352000000000, -0.0007480000000000, -0.0004316800000000 ] - [ 0.0009225700000000, -0.0001417800000000, -0.0009598900000000 ] - [ 0.0002490200000000, 0.0002192800000000, -0.0002178400000000 ]- atom: 33 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0004191200000000, 0.0018136000000000, -0.0002592700000000 ] - [ -0.0002906900000000, 0.0000329000000000, 0.0001566600000000 ] - [ 0.0000382700000000, -0.0002254600000000, 0.0030399000000000 ] - [ 0.0001219400000000, -0.0021125100000000, -0.0004050400000000 ] - [ 0.0002616600000000, -0.0118452700000000, -0.0019798100000000 ] - [ -0.0000312800000000, -0.0006608600000000, 0.0001097900000000 ] - [ 0.0003838500000000, -0.0002899800000000, -0.0005833300000000 ] - [ 0.0000629600000000, 0.0014079500000000, 0.0006151700000000 ] - [ -0.0000186700000000, -0.0004050800000000, -0.0000599200000000 ] - [ -0.0035615600000000, -0.0002922100000000, 0.0006405600000000 ] - [ 0.0002984800000000, -0.0001093600000000, 0.0001851000000000 ] - [ -0.0000229100000000, 0.0004062500000000, -0.0000796200000000 ] - [ -0.0000118600000000, -0.0000575800000000, -0.0000594000000000 ] - [ -0.0001391000000000, 0.0007072800000000, -0.0002190300000000 ] - [ 0.0013191300000000, -0.0003654700000000, -0.0004346700000000 ] - [ -0.0000042600000000, -0.0007156600000000, -0.0001379400000000 ] - [ -0.0002322900000000, 0.0009074900000000, 0.0008370700000000 ] - [ -0.0002055900000000, 0.0015186200000000, -0.0004021700000000 ] - [ 0.0235817600000000, -0.0074739500000000, 0.0217481900000000 ] - [ 0.0014532000000000, 0.0019602900000000, -0.0022102500000000 ] - [ -0.0002468700000000, -0.0030334200000000, -0.0009560900000000 ] - [ 0.0002395300000000, 0.0012560800000000, -0.0003344800000000 ] - [ 0.0003858600000000, -0.0013878800000000, 0.0002658700000000 ] - [ -0.0038266300000000, -0.0066026700000000, -0.0028864400000000 ] - [ -0.0003528200000000, -0.0008296800000000, 0.0005684500000000 ] - [ -0.0010163900000000, -0.0018534900000000, 0.0009428200000000 ] - [ 0.0004839800000000, -0.0007099800000000, 0.0003099500000000 ] - [ 0.0004890800000000, -0.0019968100000000, -0.0007142900000000 ] - [ -0.0003218400000000, 0.0009211600000000, -0.0002407800000000 ] - [ 0.0003126900000000, -0.0011908600000000, -0.0002023900000000 ] - [ 0.0084879100000000, 0.0075777100000000, 0.0046228600000000 ] - [ -0.0000562800000000, 0.0004448500000000, -0.0003097900000000 ] - [ -0.1378846400000000, 0.6155213700000000, -0.0036458700000000 ] - [ 0.0005267600000000, -0.0005962300000000, 0.0008119600000000 ] - [ 0.0008121700000000, -0.0067454700000000, 0.0009717800000000 ] - [ 0.0007431300000000, -0.0056104700000000, 0.0108062200000000 ] - [ 0.0004883500000000, -0.0030260600000000, 0.0006577600000000 ] - [ 0.0009809400000000, 0.0013783800000000, -0.0006674500000000 ] - [ 0.0045923200000000, -0.0954916300000000, 0.0153499300000000 ] - [ 0.0023103900000000, -0.0016219700000000, 0.0032381700000000 ] - [ 0.0027603300000000, -0.0001749000000000, -0.0013212500000000 ] - [ -0.0005698900000000, 0.0033063000000000, -0.0002667800000000 ] - [ -0.0025308000000000, -0.0054324100000000, -0.0224180500000000 ] - [ -0.0009713900000000, 0.0012939400000000, 0.0010205400000000 ] - [ -0.0008139500000000, -0.0024201000000000, -0.0015210400000000 ] - [ 0.0010721800000000, -0.0027145200000000, 0.0011861700000000 ] - [ -0.0014752900000000, 0.0006800500000000, -0.0000496700000000 ] - [ 0.0000104500000000, 0.0015474000000000, -0.0003700700000000 ] - [ -0.0000145800000000, -0.0009348700000000, 0.0029414600000000 ] - [ 0.0108322400000000, -0.0010665900000000, -0.0046815600000000 ] - [ -0.0012886400000000, 0.0000761500000000, -0.0050451000000000 ] - [ -0.0085313200000000, 0.0121373600000000, -0.0151763300000000 ] - [ -0.0007059500000000, -0.0021043500000000, 0.0001358000000000 ] - [ -0.0053605500000000, -0.0026240600000000, 0.0015322800000000 ] - [ 0.0013791200000000, 0.0024798700000000, 0.0012856400000000 ] - [ 0.0050920500000000, 0.0070474700000000, -0.0050980900000000 ] - [ 0.0004969900000000, -0.0003049800000000, 0.0001413700000000 ] - [ 0.0034459000000000, -0.0005987100000000, -0.0004300600000000 ] - [ 0.0003464600000000, 0.0004045200000000, -0.0005653400000000 ] - [ 0.0011891900000000, 0.0005371500000000, 0.0010584900000000 ] - [ 0.0004800600000000, 0.0016168000000000, 0.0006585400000000 ] - [ -0.0005645100000000, -0.0021079600000000, 0.0005074100000000 ] - [ -0.0000429800000000, -0.0006775900000000, 0.0007676800000000 ] - [ 0.0023224300000000, -0.0016007100000000, 0.0013722100000000 ] - [ 0.0001008600000000, -0.0001685100000000, -0.0007381100000000 ] - [ -0.0002456300000000, -0.0019495400000000, -0.0000978800000000 ] - [ 0.0010009600000000, -0.0009069500000000, -0.0005663100000000 ] - [ -0.0014134700000000, -0.0017899500000000, 0.0010153500000000 ] - [ 0.0004317500000000, 0.0020455800000000, -0.0004458300000000 ] - [ 0.0010745200000000, 0.0015901600000000, 0.0007119700000000 ] - [ -0.0027987900000000, 0.0006828500000000, -0.0028338600000000 ] - [ -0.0013303100000000, -0.0037574000000000, 0.0013480100000000 ] - [ 0.0013295900000000, -0.0007983200000000, 0.0000136700000000 ] - [ 0.0010582900000000, -0.0009603400000000, -0.0001345700000000 ] - [ -0.0011058600000000, -0.0004063700000000, -0.0012175800000000 ] - [ -0.0001272500000000, -0.0008891400000000, -0.0007635000000000 ] - [ -0.0011510400000000, 0.0070398500000000, -0.0003296000000000 ] - [ -0.0003816900000000, -0.0001031300000000, 0.0006035000000000 ] - [ -0.0007124900000000, -0.0023584600000000, 0.0011074800000000 ] - [ 0.0002398900000000, -0.0021011700000000, -0.0002116300000000 ] - [ -0.0003149400000000, -0.0003093300000000, -0.0001562000000000 ] - [ -0.0026674400000000, -0.0017852200000000, 0.0006791700000000 ] - [ -0.0005008500000000, -0.0012363000000000, -0.0005555400000000 ] - [ -0.0008833200000000, 0.0004125800000000, -0.0000530800000000 ] - [ -0.0015830900000000, -0.0007410600000000, 0.0007246500000000 ] - [ 0.0007184200000000, 0.0002180600000000, 0.0001741200000000 ] - [ -0.0005104500000000, -0.0010881700000000, 0.0005721000000000 ] - [ -0.0002483200000000, -0.0005025300000000, -0.0005021200000000 ] - [ -0.0028405700000000, -0.0009051800000000, 0.0050323700000000 ] - [ -0.0000846200000000, 0.0022023500000000, 0.0002116400000000 ] - [ 0.0011474000000000, -0.0005047400000000, 0.0021936500000000 ] - [ -0.0016919500000000, 0.0007106200000000, -0.0016068900000000 ] - [ -0.0001334000000000, 0.0001024800000000, -0.0002015800000000 ] - [ 0.0003598200000000, -0.0002631400000000, 0.0002110500000000 ] - [ 0.0032141200000000, 0.0019725900000000, 0.0005516500000000 ] - [ -0.0015329400000000, -0.0014121000000000, 0.0004893700000000 ] - [ 0.0010022200000000, -0.0040867500000000, 0.0021494000000000 ] - [ 0.0006496900000000, -0.0001800100000000, -0.0050667300000000 ] - [ -0.0015756300000000, 0.0014364000000000, -0.0003918000000000 ] - [ -0.0002803100000000, -0.0008798300000000, -0.0000101000000000 ] - [ -0.0002812800000000, 0.0004975600000000, 0.0003859300000000 ] - [ 0.0011831600000000, 0.0010302300000000, 0.0010331800000000 ] - [ 0.0021594000000000, 0.0001602900000000, 0.0010896700000000 ] - [ -0.0013288800000000, -0.0009190900000000, -0.0000651300000000 ] - [ -0.0008373000000000, 0.0010729500000000, 0.0006588100000000 ] - [ 0.0007978200000000, 0.0006603300000000, -0.0009921000000000 ] - [ 0.0101182600000000, -0.0476527000000000, -0.0237550100000000 ] - [ -0.0007751300000000, 0.0037818800000000, -0.0006166700000000 ] - [ 0.0002164300000000, -0.0008212600000000, 0.0000346900000000 ] - [ -0.0004726500000000, -0.0008058200000000, 0.0000328600000000 ] - [ 0.0004161300000000, -0.0004148600000000, -0.0009743600000000 ] - [ 0.0003168300000000, -0.0001341000000000, -0.0001088600000000 ] - [ -0.0021754700000000, 0.0013856100000000, -0.0022561500000000 ] - [ 0.1757638600000000, -0.2970384300000000, -0.0205316000000000 ] - [ -0.0006908600000000, -0.0040884700000000, -0.0022257200000000 ] - [ 0.0007763800000000, -0.0023414600000000, -0.0005370200000000 ] - [ -0.0015023100000000, 0.0003812100000000, -0.0002058700000000 ] - [ -0.0002680800000000, -0.0004210400000000, -0.0006257800000000 ] - [ 0.0004201400000000, 0.0014887500000000, 0.0029704800000000 ] - [ -0.0010623200000000, 0.0006241200000000, -0.0007752300000000 ] - [ 0.0001827500000000, 0.0012985900000000, 0.0001810400000000 ] - [ -0.0047638100000000, 0.0006716200000000, -0.0001891100000000 ] - [ -0.0002461600000000, 0.0000675200000000, -0.0011566700000000 ] - [ 0.0005883800000000, 0.0016723800000000, -0.0007806000000000 ] - [ 0.0009119200000000, -0.0020820200000000, 0.0024294300000000 ] - [ -0.0005855400000000, 0.0005348300000000, -0.0005903000000000 ] - [ 0.0018234600000000, 0.0034455500000000, -0.0021889200000000 ] - [ 0.0004320700000000, 0.0073824100000000, -0.0081901200000000 ] - [ 0.0011139100000000, 0.0007316800000000, -0.0006868300000000 ] - [ 0.0004218300000000, 0.0011480100000000, -0.0000724200000000 ] - [ 0.0007303300000000, -0.0002793600000000, -0.0012929900000000 ] - [ 0.0007639900000000, 0.0009163500000000, 0.0010008500000000 ] - [ -0.0008493200000000, -0.0061753200000000, 0.0062529900000000 ] - [ 0.0006705800000000, 0.0013995200000000, -0.0004000100000000 ] - [ -0.0043213400000000, 0.0131476400000000, 0.0159754500000000 ] - [ -0.0069567400000000, 0.0046160700000000, 0.0031092500000000 ] - [ -0.0118330600000000, 0.0092962700000000, -0.0127091600000000 ] - [ 0.0004496000000000, 0.0004992600000000, 0.0005132500000000 ] - [ -0.0003180100000000, -0.0002429500000000, 0.0002404100000000 ] - [ 0.0070342600000000, 0.0149805300000000, 0.0010816900000000 ] - [ 0.0074568700000000, -0.0105326400000000, -0.0057944100000000 ] - [ -0.0008614000000000, -0.0013637000000000, 0.0006233500000000 ] - [ 0.0001649000000000, 0.0005286700000000, 0.0003158300000000 ] - [ 0.0153869600000000, -0.0614574000000000, 0.0157231800000000 ] - [ 0.0002588000000000, 0.0001038900000000, -0.0007051600000000 ] - [ -0.0066577600000000, -0.0061825400000000, 0.0017622400000000 ] - [ -0.0771944200000000, -0.1344937500000000, 0.0227962500000000 ] - [ 0.0011223400000000, -0.0005642600000000, 0.0008863900000000 ] - [ 0.0013302200000000, 0.0031488000000000, 0.0001396400000000 ] - [ 0.0002459400000000, -0.0003712300000000, -0.0001113900000000 ] - [ -0.0018598000000000, 0.0019543600000000, 0.0024553600000000 ] - [ -0.0002226400000000, 0.0002297400000000, -0.0003847700000000 ] - [ 0.0019256800000000, 0.0029383000000000, 0.0034668000000000 ] - [ 0.0000850600000000, 0.0016272300000000, 0.0004331600000000 ] - [ -0.0000659500000000, 0.0008737300000000, 0.0002717700000000 ] - [ -0.0001005300000000, 0.0006122600000000, 0.0000815100000000 ] - [ 0.0004263400000000, 0.0004335200000000, -0.0002966300000000 ] - [ 0.0028453200000000, 0.0004276300000000, 0.0021004300000000 ] - [ -0.0005897300000000, 0.0009793300000000, -0.0006673600000000 ] - [ -0.0004302500000000, 0.0009434800000000, -0.0010099000000000 ] - [ -0.0006990300000000, -0.0002536200000000, 0.0002546800000000 ] - [ -0.0000676900000000, -0.0000700500000000, 0.0003607900000000 ] - [ 0.0000917800000000, 0.0007464300000000, -0.0001341000000000 ] - [ -0.0010151200000000, 0.0011064200000000, -0.0003818700000000 ] - [ 0.0001253300000000, -0.0020804800000000, -0.0002212900000000 ] - [ 0.0015255200000000, -0.0004464700000000, -0.0000680400000000 ] - [ 0.0003063200000000, -0.0005200000000000, 0.0001696900000000 ] - [ 0.0002020700000000, 0.0014233300000000, 0.0005285400000000 ] - [ 0.0004275100000000, 0.0005406100000000, -0.0001870700000000 ] - [ -0.0001876300000000, -0.0001885500000000, -0.0008383500000000 ] - [ -0.0024612500000000, 0.0007515000000000, -0.0011665900000000 ] - [ 0.0004062300000000, 0.0014059000000000, -0.0002364700000000 ] - [ -0.0006866900000000, 0.0000273700000000, 0.0013480200000000 ] - [ 0.0003194700000000, -0.0007780200000000, 0.0002533900000000 ] - [ 0.0020873600000000, 0.0002722700000000, 0.0008643900000000 ] - [ -0.0001971500000000, 0.0006718300000000, -0.0001887400000000 ] - [ -0.0002986800000000, 0.0003697900000000, 0.0010180100000000 ] - [ 0.0001951600000000, -0.0002016100000000, -0.0004383700000000 ] - [ 0.0002302000000000, 0.0003294700000000, 0.0007808500000000 ] - [ 0.0002758200000000, -0.0001867100000000, -0.0003696100000000 ] - [ -0.0004155700000000, 0.0012538600000000, 0.0004245700000000 ] - [ 0.0010140900000000, 0.0026662900000000, -0.0014494600000000 ] - [ 0.0002219700000000, 0.0005499300000000, -0.0002232100000000 ] - [ -0.0001997400000000, 0.0039707000000000, -0.0015228500000000 ] - [ -0.0007558700000000, 0.0000979200000000, -0.0003067900000000 ] - [ -0.0004268800000000, 0.0006897200000000, 0.0002807200000000 ] - [ -0.0003373000000000, 0.0005855700000000, 0.0001057900000000 ] - [ 0.0002545600000000, 0.0010341200000000, -0.0000787200000000 ] - [ -0.0005197500000000, -0.0002515000000000, -0.0005552100000000 ] - [ 0.0000497900000000, 0.0012230300000000, -0.0014577600000000 ] - [ -0.0002662500000000, 0.0001160900000000, 0.0005258300000000 ] - [ -0.0019756200000000, 0.0003346100000000, -0.0002437400000000 ] - [ -0.0004618000000000, -0.0004729400000000, 0.0004535600000000 ] - [ -0.0009966200000000, 0.0003563100000000, -0.0002591500000000 ] - [ -0.0008140200000000, -0.0000209700000000, 0.0002935500000000 ] - [ -0.0007139100000000, -0.0009022300000000, -0.0000350700000000 ] - [ 0.0000014900000000, 0.0014388000000000, -0.0001954500000000 ] - [ -0.0013801100000000, -0.0012072500000000, -0.0009104400000000 ] - [ -0.0000600400000000, -0.0006734500000000, 0.0003537700000000 ] - [ 0.0000779300000000, -0.0000813300000000, 0.0000464600000000 ] - [ 0.0000551100000000, -0.0002454500000000, -0.0000285600000000 ] - [ 0.0002431700000000, -0.0009078500000000, -0.0002199400000000 ] - [ 0.0002571100000000, -0.0001761500000000, -0.0007692200000000 ] - [ 0.0003982600000000, -0.0008516000000000, 0.0000927600000000 ] - [ -0.0004135200000000, 0.0012929600000000, -0.0000577200000000 ] - [ 0.0004191400000000, -0.0005534100000000, -0.0000190300000000 ] - [ 0.0000886400000000, 0.0000782900000000, -0.0004676400000000 ] - [ -0.0000493100000000, 0.0005940300000000, 0.0000014900000000 ] - [ -0.0000670100000000, -0.0001524800000000, 0.0000416900000000 ] - [ 0.0005236500000000, -0.0016767400000000, -0.0000054200000000 ] - [ -0.0000899500000000, 0.0014434900000000, 0.0003401200000000 ] - [ 0.0001702700000000, -0.0002093500000000, 0.0003421900000000 ] - [ -0.0001141800000000, 0.0007434200000000, -0.0002546500000000 ] - [ 0.0000137100000000, 0.0004903900000000, 0.0004170000000000 ] - [ -0.0007448500000000, -0.0014304900000000, 0.0002277100000000 ] - [ -0.0002630100000000, 0.0007171600000000, 0.0001940400000000 ] - [ 0.0005357300000000, -0.0009419200000000, -0.0008104000000000 ] - [ 0.0002536600000000, 0.0001073000000000, 0.0000925900000000 ] - [ -0.0002537000000000, -0.0000540300000000, -0.0000396900000000 ] - [ 0.0007754000000000, 0.0005094400000000, 0.0002510200000000 ] - [ 0.0002634700000000, -0.0002248600000000, -0.0001004200000000 ] - [ 0.0002670900000000, 0.0014849100000000, -0.0000106600000000 ] - [ -0.0001871600000000, 0.0005790200000000, 0.0005467500000000 ] - [ -0.0007490900000000, -0.0008515200000000, -0.0001686000000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0055228800000000, 0.0009782400000000, -0.0034472900000000 ] - [ -0.0002573000000000, -0.0001198700000000, 0.0007331300000000 ] - [ -0.0004055900000000, -0.0015622500000000, 0.0017673600000000 ] - [ -0.0000865700000000, 0.0005813600000000, -0.0002216200000000 ] - [ -0.0007508000000000, 0.0015912800000000, -0.0020260800000000 ] - [ 0.0001285900000000, -0.0001579900000000, -0.0001400000000000 ] - [ -0.0003596100000000, 0.0001375600000000, 0.0003814800000000 ] - [ 0.0033040300000000, 0.0000502900000000, -0.0000995700000000 ] - [ 0.0001600200000000, 0.0000221800000000, 0.0002728300000000 ] - [ -0.0008316800000000, -0.0002967000000000, -0.0004670200000000 ] - [ 0.0002145200000000, -0.0001037700000000, -0.0002009000000000 ] - [ 0.0004177100000000, 0.0001348700000000, 0.0004331600000000 ] - [ -0.0001153000000000, 0.0000738800000000, 0.0003573200000000 ] - [ 0.0002699700000000, -0.0005739100000000, 0.0041558200000000 ] - [ -0.0011707700000000, 0.0009455200000000, -0.0007198100000000 ] - [ 0.0000399500000000, -0.0000514600000000, 0.0002085800000000 ] - [ -0.0004608200000000, -0.0009462600000000, -0.0020802700000000 ] - [ -0.0000252400000000, 0.0000846200000000, 0.0000039000000000 ] - [ 0.0049311400000000, -0.0081684000000000, -0.0108695700000000 ] - [ -0.0057601400000000, 0.0050409600000000, 0.0056950000000000 ] - [ 0.0002433100000000, 0.0013373200000000, -0.0005630600000000 ] - [ -0.0013855800000000, 0.0005264800000000, 0.0030920600000000 ] - [ 0.0004770200000000, -0.0003700100000000, 0.0005370400000000 ] - [ 0.0005839900000000, -0.0002731600000000, -0.0038608000000000 ] - [ 0.0002045300000000, -0.0000852700000000, 0.0014759700000000 ] - [ -0.0005576000000000, -0.0004805200000000, 0.0002729700000000 ] - [ 0.0000825800000000, -0.0001850700000000, 0.0014097400000000 ] - [ -0.0001611000000000, 0.0000991700000000, -0.0000792600000000 ] - [ 0.0005502200000000, 0.0004439800000000, 0.0007053200000000 ] - [ 0.0003812200000000, -0.0004595900000000, -0.0013607200000000 ] - [ 0.0128884700000000, -0.0139583900000000, 0.0154539900000000 ] - [ 0.0006856100000000, 0.0000877300000000, 0.0022124500000000 ] - [ -0.1496229700000000, 0.0052377200000000, -0.4929491100000000 ] - [ 0.0003669900000000, 0.0000668000000000, 0.0016852100000000 ] - [ -0.0002962400000000, -0.0002645900000000, -0.0021156600000000 ] - [ 0.0004461400000000, -0.0035874900000000, 0.0017841800000000 ] - [ 0.0002684800000000, 0.0004225400000000, -0.0008803900000000 ] - [ 0.0000802700000000, 0.0002957300000000, -0.0005452900000000 ] - [ 0.0028288500000000, -0.0269542000000000, -0.0113703800000000 ] - [ 0.0006312200000000, -0.0026345000000000, 0.0017747200000000 ] - [ -0.0001385800000000, 0.0008303800000000, -0.0012386200000000 ] - [ -0.0018474800000000, 0.0004666500000000, 0.0022404700000000 ] - [ -0.0078870100000000, 0.0215743000000000, -0.0123470400000000 ] - [ -0.0008464800000000, -0.0009213700000000, 0.0010534100000000 ] - [ 0.0012635800000000, 0.0003706100000000, -0.0006562700000000 ] - [ 0.0000256200000000, 0.0002996300000000, 0.0004613800000000 ] - [ 0.0014999900000000, 0.0035356800000000, 0.0025833200000000 ] - [ -0.0036730500000000, -0.0015641200000000, 0.0034809800000000 ] - [ 0.0003623900000000, -0.0015365000000000, 0.0034764000000000 ] - [ -0.0000185700000000, 0.0004406100000000, -0.0006087200000000 ] - [ -0.0021162400000000, 0.0069080100000000, 0.0027816500000000 ] - [ 0.0470801900000000, 0.0269024600000000, 0.0939763000000000 ] - [ 0.0004153100000000, -0.0004950800000000, -0.0002311700000000 ] - [ 0.0003458800000000, 0.0007993900000000, -0.0036934900000000 ] - [ -0.0068786100000000, -0.0037246700000000, 0.0006623700000000 ] - [ -0.0000815400000000, 0.0004073200000000, -0.0039657600000000 ] - [ 0.0005446400000000, 0.0005961400000000, 0.0010271700000000 ] - [ 0.0035989600000000, -0.0047131300000000, -0.0027835600000000 ] - [ -0.0009173400000000, -0.0009157500000000, 0.0013758700000000 ] - [ 0.0017192600000000, -0.0002971200000000, 0.0016905000000000 ] - [ 0.0012487800000000, 0.0004193700000000, 0.0037610200000000 ] - [ -0.0003856800000000, 0.0009172000000000, 0.0018241600000000 ] - [ -0.0002489200000000, -0.0001779200000000, 0.0016241800000000 ] - [ 0.0025035800000000, -0.0029005600000000, 0.0017677200000000 ] - [ -0.0001318800000000, 0.0034825900000000, 0.0036562400000000 ] - [ -0.0008468700000000, 0.0006398400000000, -0.0017155500000000 ] - [ 0.0008233900000000, -0.0001663700000000, 0.0007184500000000 ] - [ -0.0000271900000000, -0.0009163700000000, -0.0020155400000000 ] - [ 0.0041801700000000, 0.0036087000000000, 0.0053855100000000 ] - [ -0.0004523000000000, -0.0008395400000000, 0.0004666000000000 ] - [ 0.0014884100000000, 0.0022096400000000, -0.0008417300000000 ] - [ -0.0007465300000000, 0.0001445400000000, -0.0004751700000000 ] - [ 0.0020748600000000, -0.0015375300000000, -0.0004733900000000 ] - [ -0.0004487900000000, 0.0017202500000000, 0.0027587300000000 ] - [ -0.0000287100000000, 0.0006480700000000, -0.0007450800000000 ] - [ 0.0000468400000000, 0.0001837600000000, -0.0000529900000000 ] - [ 0.0000996100000000, 0.0043505300000000, 0.0115021400000000 ] - [ 0.0001232200000000, -0.0001327000000000, 0.0021809900000000 ] - [ -0.0006486500000000, -0.0001611000000000, 0.0011403500000000 ] - [ -0.0004167000000000, -0.0000271100000000, 0.0009278000000000 ] - [ -0.0006345000000000, -0.0005672100000000, -0.0006150500000000 ] - [ 0.0002254800000000, 0.0006140300000000, 0.0012266000000000 ] - [ 0.0020575700000000, 0.0016318500000000, 0.0020812500000000 ] - [ -0.0001793100000000, 0.0003548200000000, 0.0007858400000000 ] - [ 0.0001627600000000, -0.0001990700000000, 0.0005275200000000 ] - [ -0.0005224000000000, -0.0000251700000000, -0.0016980700000000 ] - [ -0.0005732700000000, -0.0005165100000000, 0.0002901100000000 ] - [ -0.0005042800000000, 0.0003352900000000, -0.0028701500000000 ] - [ 0.0018696900000000, -0.0051411500000000, 0.0009665000000000 ] - [ 0.0002777400000000, 0.0005838800000000, 0.0010845100000000 ] - [ 0.0022265600000000, -0.0041020000000000, -0.0195277700000000 ] - [ -0.0019678400000000, 0.0025239700000000, -0.0003080900000000 ] - [ -0.0004843800000000, -0.0003166800000000, 0.0003119300000000 ] - [ 0.0001146600000000, -0.0003441800000000, -0.0002895500000000 ] - [ -0.0006902400000000, -0.0013974200000000, 0.0015106700000000 ] - [ 0.0039646400000000, 0.0011035600000000, 0.0000153200000000 ] - [ 0.0008878200000000, -0.0009529800000000, 0.0013014300000000 ] - [ 0.0001041500000000, 0.0011305200000000, -0.0022173300000000 ] - [ -0.0010873300000000, 0.0011607300000000, -0.0001173600000000 ] - [ 0.0009606900000000, 0.0003952900000000, -0.0011733800000000 ] - [ -0.0004821000000000, 0.0000495200000000, 0.0008183600000000 ] - [ -0.0001618800000000, -0.0006236500000000, 0.0004005800000000 ] - [ -0.0004077100000000, -0.0013752600000000, -0.0008011200000000 ] - [ 0.0017689700000000, 0.0004256400000000, -0.0002347800000000 ] - [ -0.0002958900000000, 0.0002768000000000, 0.0004387600000000 ] - [ 0.0006533800000000, 0.0005182200000000, -0.0010848000000000 ] - [ -0.0472933900000000, 0.0169778900000000, 0.1525229200000000 ] - [ 0.0005435600000000, -0.0002091700000000, 0.0002763200000000 ] - [ 0.0002752600000000, -0.0001344100000000, 0.0002399200000000 ] - [ 0.0004504500000000, 0.0011840400000000, -0.0020547600000000 ] - [ 0.0000564300000000, 0.0001898800000000, -0.0021270600000000 ] - [ 0.0002735200000000, 0.0007123500000000, -0.0014230000000000 ] - [ -0.0000010600000000, 0.0008698200000000, -0.0003878100000000 ] - [ -0.0017858200000000, 0.0142836800000000, 0.0599710200000000 ] - [ -0.0002490300000000, -0.0016110500000000, -0.0079033900000000 ] - [ 0.0009927200000000, -0.0005841500000000, -0.0007599500000000 ] - [ -0.0010337500000000, 0.0018015900000000, 0.0018547400000000 ] - [ 0.0009232600000000, 0.0009393500000000, -0.0020483000000000 ] - [ -0.0002892900000000, -0.0016756200000000, 0.0001246200000000 ] - [ -0.0012633800000000, 0.0005438400000000, -0.0009007800000000 ] - [ -0.0002664300000000, 0.0002764700000000, 0.0007644000000000 ] - [ -0.0003929600000000, -0.0000424000000000, 0.0002039900000000 ] - [ -0.0001793300000000, 0.0003289700000000, -0.0007423600000000 ] - [ -0.0001544300000000, -0.0001170800000000, -0.0002180200000000 ] - [ 0.0005545800000000, -0.0033465400000000, -0.0035802000000000 ] - [ -0.0004004000000000, 0.0000089800000000, -0.0008747200000000 ] - [ 0.0007441100000000, 0.0007624800000000, 0.0002544300000000 ] - [ -0.0008903500000000, 0.0013567400000000, 0.0018849500000000 ] - [ -0.0000397900000000, -0.0000875500000000, 0.0027328300000000 ] - [ 0.0006792200000000, -0.0000816300000000, -0.0003691900000000 ] - [ 0.0002522300000000, 0.0002420000000000, -0.0012063900000000 ] - [ 0.0001937800000000, -0.0002472300000000, 0.0001284100000000 ] - [ -0.0054772200000000, -0.0247843800000000, -0.0042066400000000 ] - [ 0.0007536700000000, -0.0002978000000000, 0.0002051500000000 ] - [ -0.0040614500000000, 0.0012112100000000, 0.0154029300000000 ] - [ 0.0009877900000000, -0.0004499700000000, 0.0001367000000000 ] - [ 0.0033669500000000, 0.0070813800000000, 0.0025537900000000 ] - [ -0.0000929100000000, -0.0011947100000000, -0.0000733600000000 ] - [ -0.0004129600000000, 0.0001219700000000, -0.0010899100000000 ] - [ 0.0026406800000000, 0.0062936100000000, 0.0022960200000000 ] - [ -0.0213900500000000, 0.0072015800000000, -0.0089422400000000 ] - [ -0.0001702200000000, -0.0009973700000000, 0.0005565400000000 ] - [ -0.0011808700000000, -0.0002138100000000, 0.0005102000000000 ] - [ 0.1819949300000000, -0.0103030600000000, 0.1680756900000000 ] - [ 0.0002901000000000, 0.0000851700000000, 0.0001507500000000 ] - [ -0.0004935800000000, -0.0003080200000000, 0.0033727500000000 ] - [ -0.0150188900000000, -0.0165031000000000, 0.0474799800000000 ] - [ -0.0006086000000000, -0.0007163600000000, 0.0000377200000000 ] - [ 0.0000175100000000, 0.0002150600000000, 0.0006181800000000 ] - [ 0.0003884000000000, 0.0003272000000000, -0.0006215700000000 ] - [ 0.0005956600000000, 0.0001612300000000, 0.0000102600000000 ] - [ -0.0006092200000000, -0.0004380300000000, -0.0008863400000000 ] - [ -0.0012045200000000, -0.0053858000000000, 0.0028253200000000 ] - [ 0.0001648100000000, -0.0002224300000000, -0.0003099400000000 ] - [ -0.0002568500000000, 0.0000902700000000, -0.0001992100000000 ] - [ -0.0009095200000000, -0.0001792600000000, -0.0019888300000000 ] - [ 0.0010463500000000, -0.0003463000000000, -0.0007891700000000 ] - [ -0.0000260600000000, -0.0001129900000000, 0.0009097600000000 ] - [ -0.0003434800000000, -0.0003205700000000, -0.0006573800000000 ] - [ -0.0000477400000000, -0.0001240200000000, 0.0006350200000000 ] - [ -0.0002425200000000, -0.0004699100000000, -0.0003655800000000 ] - [ 0.0002810700000000, 0.0004029400000000, -0.0001489500000000 ] - [ 0.0001562900000000, 0.0003465300000000, -0.0003609500000000 ] - [ -0.0011958600000000, 0.0015752400000000, -0.0009738200000000 ] - [ 0.0017879400000000, -0.0017148400000000, -0.0047674700000000 ] - [ -0.0005799300000000, -0.0010464300000000, 0.0019352700000000 ] - [ 0.0002768400000000, -0.0006388500000000, -0.0004165900000000 ] - [ -0.0000976100000000, 0.0001342800000000, 0.0002388400000000 ] - [ 0.0005566900000000, -0.0002514000000000, -0.0002048400000000 ] - [ -0.0003626800000000, -0.0000067500000000, -0.0007618400000000 ] - [ -0.0020996200000000, 0.0022690200000000, -0.0009022700000000 ] - [ 0.0005204800000000, 0.0002576200000000, 0.0003147000000000 ] - [ 0.0012475000000000, -0.0007391100000000, -0.0014055700000000 ] - [ -0.0018762200000000, -0.0013410200000000, -0.0024979000000000 ] - [ -0.0000515100000000, -0.0002752600000000, 0.0005467100000000 ] - [ -0.0001562400000000, -0.0002922400000000, -0.0000987900000000 ] - [ -0.0005307900000000, -0.0022400900000000, -0.0031058300000000 ] - [ -0.0002042800000000, 0.0002647200000000, -0.0001600700000000 ] - [ 0.0001094600000000, -0.0000304400000000, -0.0000074800000000 ] - [ 0.0003526100000000, 0.0001841900000000, -0.0008630600000000 ] - [ 0.0004476100000000, -0.0005225200000000, 0.0001982000000000 ] - [ -0.0001535600000000, 0.0000564900000000, 0.0001252200000000 ] - [ 0.0000980200000000, 0.0008366300000000, 0.0002481500000000 ] - [ 0.0003937800000000, -0.0001227800000000, 0.0009264900000000 ] - [ -0.0010408700000000, 0.0005570600000000, -0.0004848100000000 ] - [ -0.0002161500000000, 0.0002391600000000, -0.0000025100000000 ] - [ -0.0005363300000000, -0.0001339200000000, -0.0000368300000000 ] - [ 0.0003389900000000, -0.0003244200000000, 0.0003812200000000 ] - [ -0.0002345100000000, -0.0005080000000000, -0.0014149600000000 ] - [ 0.0000536600000000, 0.0003193800000000, -0.0006104600000000 ] - [ -0.0005419500000000, -0.0001054600000000, 0.0003457800000000 ] - [ -0.0031773000000000, 0.0013565800000000, -0.0000575700000000 ] - [ -0.0005212100000000, 0.0005225100000000, -0.0013835800000000 ] - [ 0.0000057800000000, -0.0006216700000000, -0.0012863300000000 ] - [ -0.0009605400000000, 0.0010553800000000, 0.0003196400000000 ] - [ 0.0020239400000000, 0.0010299300000000, -0.0026315600000000 ] - [ -0.0001886900000000, 0.0004166000000000, -0.0001297500000000 ] - [ -0.0053174200000000, 0.0049076500000000, 0.0015137100000000 ] - [ -0.0001505800000000, -0.0001891200000000, 0.0001426300000000 ] - [ 0.0000946400000000, 0.0002025700000000, -0.0005278300000000 ] - [ 0.0000307500000000, 0.0001791300000000, -0.0009830800000000 ] - [ 0.0005935600000000, 0.0003700100000000, 0.0005365600000000 ] - [ -0.0000999100000000, 0.0000471200000000, 0.0000676200000000 ] - [ -0.0026758200000000, -0.0020587800000000, -0.0038920100000000 ] - [ -0.0004151400000000, 0.0005786900000000, -0.0002442700000000 ] - [ 0.0022810800000000, -0.0002199700000000, -0.0009515700000000 ] - [ 0.0002468000000000, -0.0002197200000000, -0.0014768100000000 ] - [ 0.0009820500000000, -0.0000966900000000, -0.0014392800000000 ] - [ -0.0001292100000000, -0.0002952100000000, -0.0002322700000000 ] - [ -0.0003661600000000, -0.0032531600000000, -0.0016735300000000 ] - [ -0.0004259800000000, 0.0001819200000000, 0.0007841200000000 ] - [ 0.0001337300000000, -0.0001944900000000, -0.0000856900000000 ] - [ -0.0000199200000000, 0.0003386000000000, -0.0005886600000000 ] - [ -0.0002229600000000, -0.0018421600000000, -0.0005499400000000 ] - [ -0.0023874400000000, -0.0013840300000000, -0.0017008800000000 ] - [ -0.0004572400000000, 0.0004469800000000, -0.0001267300000000 ] - [ -0.0000014100000000, -0.0001902000000000, -0.0006563800000000 ] - [ 0.0005587500000000, -0.0003946800000000, -0.0006589100000000 ] - [ -0.0002806800000000, -0.0005577200000000, -0.0002091000000000 ] - [ 0.0000222100000000, -0.0007122500000000, -0.0002613900000000 ] - [ -0.0000941500000000, 0.0001139600000000, -0.0007499200000000 ] - [ 0.0007641900000000, 0.0003497700000000, 0.0002454100000000 ] - [ 0.0012328600000000, -0.0010288000000000, -0.0017804500000000 ] - [ -0.0006221900000000, -0.0006469700000000, 0.0007059800000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0054226700000000, -0.0008633500000000, 0.0033189000000000 ] - [ 0.0001381900000000, 0.0002428200000000, -0.0006117100000000 ] - [ 0.0005272900000000, 0.0016719900000000, -0.0018926100000000 ] - [ -0.0000334800000000, -0.0004580600000000, 0.0003425800000000 ] - [ 0.0006438100000000, -0.0017110200000000, 0.0018959600000000 ] - [ -0.0000079000000000, 0.0000387100000000, 0.0002587400000000 ] - [ 0.0004775800000000, -0.0002561500000000, -0.0002628000000000 ] - [ -0.0034460100000000, -0.0001758700000000, -0.0000165800000000 ] - [ -0.0000398500000000, 0.0000989600000000, -0.0003925200000000 ] - [ 0.0007196300000000, 0.0004216000000000, 0.0005837500000000 ] - [ -0.0000963300000000, 0.0002247400000000, 0.0000822200000000 ] - [ -0.0005385600000000, -0.0000137600000000, -0.0003157000000000 ] - [ -0.0000078200000000, -0.0001966500000000, -0.0004771900000000 ] - [ -0.0001448900000000, 0.0004508300000000, -0.0040320500000000 ] - [ 0.0012928800000000, -0.0010658800000000, 0.0008440200000000 ] - [ -0.0001606200000000, -0.0000681100000000, -0.0003290300000000 ] - [ 0.0003822200000000, 0.0008735000000000, 0.0021600600000000 ] - [ 0.0000905600000000, -0.0001599300000000, -0.0000862300000000 ] - [ -0.0049024800000000, 0.0082642700000000, 0.0109954300000000 ] - [ 0.0056883100000000, -0.0049696700000000, -0.0057663300000000 ] - [ -0.0001633500000000, -0.0012610700000000, 0.0006264900000000 ] - [ 0.0013033300000000, -0.0004522000000000, -0.0031607000000000 ] - [ -0.0005538500000000, 0.0003020100000000, -0.0004629100000000 ] - [ -0.0005041100000000, 0.0002192400000000, 0.0038022600000000 ] - [ -0.0002755300000000, 0.0000135000000000, -0.0014006600000000 ] - [ 0.0006358000000000, 0.0004119800000000, -0.0003447900000000 ] - [ -0.0000095800000000, 0.0002597600000000, -0.0013365200000000 ] - [ 0.0000840500000000, -0.0000274000000000, 0.0000028800000000 ] - [ -0.0004823200000000, -0.0003723500000000, -0.0006268900000000 ] - [ -0.0004604600000000, 0.0005351700000000, 0.0012894800000000 ] - [ -0.0128474500000000, 0.0137846400000000, -0.0154058800000000 ] - [ -0.0006109700000000, -0.0001598500000000, -0.0022858000000000 ] - [ 0.1372325300000000, 0.0003823000000000, 0.5059538900000000 ] - [ -0.0006612700000000, 0.0007000400000000, -0.0028649000000000 ] - [ 0.0005867300000000, -0.0004879000000000, 0.0009333800000000 ] - [ -0.0001581100000000, 0.0043644800000000, -0.0006135800000000 ] - [ 0.0004900700000000, -0.0001369800000000, 0.0020573100000000 ] - [ -0.0012670600000000, -0.0005877400000000, 0.0012961000000000 ] - [ -0.0036203000000000, 0.0268443400000000, 0.0124433900000000 ] - [ -0.0018156400000000, 0.0018901200000000, -0.0014932000000000 ] - [ -0.0001554800000000, 0.0003443700000000, 0.0004785000000000 ] - [ 0.0010752600000000, 0.0007068100000000, -0.0025309000000000 ] - [ 0.0087048600000000, -0.0228151000000000, 0.0121428000000000 ] - [ 0.0015976000000000, 0.0006275000000000, -0.0022389200000000 ] - [ -0.0000843200000000, -0.0006580300000000, -0.0001021900000000 ] - [ 0.0011543300000000, 0.0004653900000000, -0.0001801600000000 ] - [ -0.0011946700000000, -0.0023466800000000, -0.0018291700000000 ] - [ 0.0024992600000000, 0.0023241100000000, -0.0037598100000000 ] - [ 0.0008196000000000, 0.0007853600000000, -0.0037642600000000 ] - [ 0.0011845300000000, -0.0001631800000000, 0.0013667500000000 ] - [ 0.0009375100000000, -0.0065668400000000, -0.0035328100000000 ] - [ -0.0476528600000000, -0.0268984600000000, -0.0960765800000000 ] - [ -0.0007106700000000, -0.0006830600000000, 0.0009901900000000 ] - [ -0.0011057800000000, -0.0019991500000000, 0.0039807000000000 ] - [ 0.0065965700000000, 0.0029760700000000, 0.0005369000000000 ] - [ 0.0003767300000000, -0.0015964300000000, 0.0031972700000000 ] - [ 0.0002052400000000, 0.0005882200000000, -0.0007422700000000 ] - [ -0.0039029400000000, 0.0054927000000000, 0.0015971100000000 ] - [ 0.0012040400000000, 0.0001613500000000, -0.0025514600000000 ] - [ -0.0014379700000000, 0.0010494000000000, -0.0005184000000000 ] - [ -0.0004929900000000, -0.0001384800000000, -0.0025891700000000 ] - [ -0.0007859200000000, -0.0012042600000000, -0.0010651000000000 ] - [ -0.0005121000000000, -0.0001039400000000, -0.0004442300000000 ] - [ -0.0036735500000000, 0.0021361000000000, -0.0014995300000000 ] - [ -0.0001473800000000, -0.0023127700000000, -0.0044173900000000 ] - [ 0.0000949200000000, 0.0005395500000000, 0.0014335000000000 ] - [ -0.0000663500000000, -0.0010106700000000, -0.0010052000000000 ] - [ 0.0007851200000000, 0.0006324100000000, 0.0008492100000000 ] - [ -0.0029772300000000, -0.0038932400000000, -0.0061588200000000 ] - [ 0.0016232100000000, 0.0015981800000000, -0.0001741200000000 ] - [ -0.0012055800000000, -0.0010357400000000, 0.0016136200000000 ] - [ -0.0004341600000000, 0.0006227900000000, 0.0001801500000000 ] - [ -0.0009103900000000, 0.0007839800000000, 0.0001820700000000 ] - [ 0.0016329700000000, -0.0014376700000000, -0.0020000700000000 ] - [ -0.0011568500000000, -0.0003614800000000, -0.0000098600000000 ] - [ -0.0008109200000000, 0.0001102500000000, -0.0011210500000000 ] - [ -0.0003585500000000, -0.0054914300000000, -0.0106699800000000 ] - [ -0.0008879300000000, -0.0010486800000000, -0.0018953200000000 ] - [ 0.0003614800000000, -0.0005934800000000, 0.0000358700000000 ] - [ 0.0007086800000000, -0.0011462200000000, -0.0016871400000000 ] - [ 0.0002584100000000, 0.0000861300000000, -0.0000208600000000 ] - [ -0.0001069100000000, 0.0007012300000000, -0.0007194600000000 ] - [ -0.0026895200000000, -0.0012445500000000, -0.0016054000000000 ] - [ -0.0002590100000000, 0.0003801400000000, -0.0003713200000000 ] - [ 0.0011422900000000, 0.0000847000000000, -0.0010348400000000 ] - [ 0.0009522100000000, 0.0007609200000000, 0.0012758900000000 ] - [ -0.0001627800000000, 0.0000789300000000, -0.0006987800000000 ] - [ 0.0000023500000000, -0.0002157600000000, 0.0015621000000000 ] - [ -0.0022766000000000, 0.0044166800000000, -0.0014294000000000 ] - [ -0.0001617100000000, -0.0000817300000000, 0.0002297900000000 ] - [ -0.0018846400000000, 0.0047470900000000, 0.0188681900000000 ] - [ 0.0012411900000000, -0.0021278300000000, 0.0007521500000000 ] - [ 0.0000507800000000, -0.0004234500000000, -0.0007275000000000 ] - [ 0.0002730500000000, -0.0001494500000000, 0.0009251500000000 ] - [ 0.0011053100000000, 0.0006665000000000, -0.0010704900000000 ] - [ -0.0044211900000000, -0.0007044000000000, 0.0007158900000000 ] - [ -0.0002519700000000, 0.0004571300000000, -0.0009090800000000 ] - [ 0.0000132000000000, -0.0016431100000000, 0.0009091000000000 ] - [ 0.0005925600000000, -0.0007799400000000, 0.0007600900000000 ] - [ -0.0005711100000000, 0.0001020100000000, 0.0005326400000000 ] - [ -0.0000115800000000, 0.0005907400000000, -0.0004373300000000 ] - [ 0.0006374000000000, -0.0000183600000000, -0.0000338000000000 ] - [ 0.0017008600000000, 0.0014831300000000, 0.0013037700000000 ] - [ -0.0030738200000000, -0.0009360300000000, 0.0003467600000000 ] - [ -0.0003403100000000, 0.0002121300000000, -0.0000589300000000 ] - [ -0.0001673400000000, -0.0001389100000000, 0.0004490000000000 ] - [ 0.0516133200000000, -0.0190710500000000, -0.1642718000000000 ] - [ -0.0001071300000000, 0.0006159500000000, -0.0010146000000000 ] - [ 0.0002324800000000, -0.0002553900000000, 0.0003967600000000 ] - [ -0.0011887800000000, -0.0016044900000000, 0.0016189400000000 ] - [ 0.0006835800000000, 0.0002251900000000, 0.0016925400000000 ] - [ 0.0003613800000000, -0.0003298600000000, 0.0009325600000000 ] - [ 0.0013090900000000, -0.0003645100000000, 0.0005053700000000 ] - [ 0.0029015500000000, -0.0157862500000000, -0.0596827700000000 ] - [ -0.0004142700000000, 0.0011079100000000, 0.0074550100000000 ] - [ -0.0004830200000000, -0.0007176200000000, 0.0006449900000000 ] - [ 0.0004023600000000, -0.0021956100000000, -0.0023518900000000 ] - [ -0.0010424700000000, -0.0004273900000000, 0.0007309600000000 ] - [ -0.0004551100000000, 0.0020959400000000, 0.0002988800000000 ] - [ -0.0000404400000000, -0.0000371400000000, 0.0007840500000000 ] - [ -0.0001336200000000, 0.0001675600000000, -0.0000235700000000 ] - [ -0.0009112500000000, 0.0001610200000000, -0.0007129900000000 ] - [ 0.0000629500000000, -0.0008449000000000, 0.0020477500000000 ] - [ -0.0003320300000000, -0.0002624600000000, -0.0004188400000000 ] - [ -0.0006752100000000, 0.0046240900000000, 0.0030478300000000 ] - [ -0.0000280200000000, -0.0004341800000000, 0.0001330800000000 ] - [ -0.0003082600000000, -0.0011813600000000, 0.0004812100000000 ] - [ 0.0015314500000000, -0.0017505100000000, -0.0013945500000000 ] - [ -0.0004716700000000, -0.0000278700000000, -0.0014293100000000 ] - [ 0.0000525700000000, -0.0003379000000000, 0.0008079200000000 ] - [ -0.0006634800000000, -0.0006817900000000, 0.0004734900000000 ] - [ 0.0005467700000000, -0.0001820500000000, 0.0002979000000000 ] - [ 0.0049283400000000, 0.0261494000000000, 0.0041108100000000 ] - [ 0.0005478100000000, -0.0002062500000000, -0.0003205000000000 ] - [ 0.0045940200000000, -0.0013613600000000, -0.0167960800000000 ] - [ -0.0004801800000000, 0.0010993400000000, -0.0005289800000000 ] - [ -0.0029606800000000, -0.0077503900000000, -0.0019960800000000 ] - [ 0.0002126800000000, -0.0001178800000000, -0.0004385300000000 ] - [ 0.0000158900000000, 0.0005236600000000, 0.0016121100000000 ] - [ -0.0022740200000000, -0.0068493500000000, -0.0015537500000000 ] - [ 0.0218000500000000, -0.0067434300000000, 0.0082624700000000 ] - [ 0.0000560800000000, -0.0003031500000000, -0.0000448100000000 ] - [ -0.0001188800000000, 0.0000963600000000, -0.0000013000000000 ] - [ -0.1750361100000000, 0.0107644600000000, -0.1655178100000000 ] - [ -0.0006876900000000, -0.0007221800000000, -0.0006578600000000 ] - [ 0.0009249100000000, -0.0004274200000000, -0.0029832500000000 ] - [ 0.0147923500000000, 0.0155651200000000, -0.0477048000000000 ] - [ 0.0012512900000000, 0.0012212800000000, -0.0004287900000000 ] - [ 0.0004890800000000, 0.0010968400000000, -0.0004998300000000 ] - [ 0.0000274000000000, 0.0004124200000000, 0.0001859600000000 ] - [ 0.0001448800000000, 0.0002837800000000, -0.0004107300000000 ] - [ 0.0001093800000000, -0.0001982900000000, 0.0004962500000000 ] - [ 0.0008140000000000, 0.0048957100000000, -0.0034846500000000 ] - [ -0.0000497200000000, 0.0015310000000000, 0.0008202700000000 ] - [ -0.0003775900000000, 0.0002981000000000, 0.0006933400000000 ] - [ 0.0004723600000000, 0.0009149200000000, 0.0024079600000000 ] - [ 0.0002527900000000, 0.0002305400000000, 0.0002780700000000 ] - [ 0.0004616300000000, 0.0008541400000000, -0.0013240300000000 ] - [ -0.0003934300000000, -0.0001208400000000, 0.0002453800000000 ] - [ -0.0004597900000000, 0.0002403400000000, -0.0019395700000000 ] - [ -0.0001777400000000, -0.0002704900000000, -0.0000657500000000 ] - [ -0.0001648800000000, 0.0001031200000000, 0.0014496300000000 ] - [ 0.0002378500000000, 0.0002934100000000, -0.0001456000000000 ] - [ 0.0004575500000000, -0.0011623500000000, 0.0014162100000000 ] - [ -0.0022236800000000, 0.0009694900000000, 0.0043469600000000 ] - [ 0.0009729600000000, 0.0005658600000000, -0.0013042700000000 ] - [ 0.0001399000000000, -0.0000992000000000, 0.0008517100000000 ] - [ -0.0003448100000000, 0.0002676900000000, 0.0005008800000000 ] - [ 0.0000774200000000, -0.0002566700000000, 0.0006001900000000 ] - [ 0.0004822000000000, -0.0005043200000000, -0.0005413600000000 ] - [ 0.0015997700000000, -0.0018746200000000, 0.0015444100000000 ] - [ -0.0001309000000000, 0.0002453500000000, -0.0009566100000000 ] - [ -0.0017400200000000, 0.0013722900000000, 0.0017865100000000 ] - [ 0.0023743400000000, 0.0007029100000000, 0.0028925800000000 ] - [ 0.0013598800000000, 0.0003933400000000, -0.0000390500000000 ] - [ -0.0011521200000000, -0.0002123900000000, 0.0002154700000000 ] - [ -0.0001092000000000, 0.0027474800000000, 0.0035005400000000 ] - [ 0.0007078500000000, 0.0001223800000000, -0.0004767000000000 ] - [ 0.0003991500000000, 0.0001467500000000, 0.0013128900000000 ] - [ 0.0000917300000000, 0.0002186500000000, 0.0001222500000000 ] - [ 0.0000439900000000, 0.0001393300000000, 0.0004450500000000 ] - [ -0.0005931600000000, -0.0004877900000000, -0.0005498700000000 ] - [ 0.0006441200000000, -0.0004242300000000, -0.0006839800000000 ] - [ 0.0002497700000000, 0.0005049500000000, -0.0014303900000000 ] - [ 0.0023455000000000, -0.0000440700000000, 0.0006046900000000 ] - [ -0.0001639900000000, 0.0002461100000000, 0.0006366400000000 ] - [ -0.0001007600000000, -0.0003581800000000, -0.0003446800000000 ] - [ 0.0001721600000000, -0.0009812700000000, -0.0004992100000000 ] - [ -0.0004033200000000, 0.0001271000000000, 0.0009239300000000 ] - [ -0.0001707300000000, 0.0001824700000000, -0.0006960700000000 ] - [ -0.0001945400000000, 0.0005431200000000, 0.0000667200000000 ] - [ 0.0018907100000000, -0.0008538000000000, -0.0000562700000000 ] - [ 0.0001154800000000, -0.0000826100000000, 0.0021233900000000 ] - [ -0.0013183100000000, 0.0007398400000000, 0.0007766700000000 ] - [ 0.0008431600000000, -0.0015778200000000, 0.0010032200000000 ] - [ -0.0025197400000000, -0.0014176400000000, 0.0019947300000000 ] - [ 0.0000742100000000, 0.0008879400000000, -0.0003792100000000 ] - [ 0.0048992000000000, -0.0053439300000000, -0.0022433100000000 ] - [ 0.0005983500000000, -0.0002095500000000, 0.0005966900000000 ] - [ 0.0005427000000000, -0.0005910500000000, 0.0010263700000000 ] - [ -0.0005335800000000, -0.0002950100000000, 0.0022929200000000 ] - [ 0.0001416800000000, -0.0007710700000000, -0.0000896400000000 ] - [ -0.0002943800000000, -0.0005003100000000, -0.0008047600000000 ] - [ 0.0033927900000000, 0.0016155000000000, 0.0043125200000000 ] - [ -0.0000942500000000, 0.0007203500000000, 0.0001273600000000 ] - [ -0.0009759800000000, -0.0002865800000000, 0.0008330000000000 ] - [ 0.0002651800000000, 0.0000989500000000, 0.0001662400000000 ] - [ -0.0004883200000000, 0.0007367100000000, 0.0010538200000000 ] - [ 0.0005171900000000, -0.0003474000000000, 0.0007318700000000 ] - [ 0.0004763300000000, 0.0019480800000000, 0.0011705100000000 ] - [ 0.0000480100000000, 0.0004561700000000, -0.0002984700000000 ] - [ 0.0002823500000000, -0.0002443700000000, 0.0008212600000000 ] - [ 0.0004328700000000, 0.0000982700000000, -0.0001477100000000 ] - [ 0.0001041700000000, 0.0005370800000000, 0.0010575100000000 ] - [ 0.0010493100000000, 0.0012599000000000, 0.0022045500000000 ] - [ 0.0000667300000000, 0.0002931800000000, 0.0005767600000000 ] - [ -0.0003838300000000, -0.0004490200000000, 0.0001621600000000 ] - [ -0.0001169100000000, -0.0003427200000000, 0.0010639900000000 ] - [ -0.0002322000000000, -0.0007527200000000, 0.0003255000000000 ] - [ 0.0006141500000000, 0.0011909600000000, -0.0001076000000000 ] - [ 0.0005996800000000, 0.0011948300000000, 0.0008660900000000 ] - [ -0.0003680500000000, 0.0003835400000000, -0.0006958800000000 ] - [ -0.0005022200000000, 0.0014757300000000, 0.0013715200000000 ] - [ 0.0001369100000000, 0.0000156200000000, -0.0010920200000000 ]- atom: 81 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0001998100000000, -0.0000370600000000, -0.0006259700000000 ] - [ -0.0003927400000000, 0.0005803300000000, 0.0012746600000000 ] - [ -0.0001891500000000, -0.0002154500000000, -0.0000407900000000 ] - [ -0.0001955500000000, 0.0000408300000000, 0.0001051100000000 ] - [ -0.0005178500000000, 0.0000135400000000, -0.0002408000000000 ] - [ 0.0004401800000000, -0.0004354200000000, 0.0004430300000000 ] - [ -0.0031939000000000, 0.0006363400000000, -0.0002564200000000 ] - [ -0.0000164500000000, 0.0000308000000000, 0.0000142400000000 ] - [ -0.0001809300000000, -0.0001814300000000, -0.0002956600000000 ] - [ -0.0000938900000000, -0.0000093000000000, 0.0001216000000000 ] - [ 0.0003380600000000, 0.0002386200000000, -0.0001047200000000 ] - [ 0.0029844400000000, -0.0007066000000000, -0.0005535100000000 ] - [ 0.0000823800000000, -0.0004792200000000, -0.0000928300000000 ] - [ -0.0003107400000000, -0.0001021200000000, 0.0002347400000000 ] - [ 0.0000978900000000, -0.0001657700000000, 0.0000856400000000 ] - [ 0.0001571300000000, 0.0005439800000000, -0.0000869600000000 ] - [ 0.0007271600000000, 0.0002958700000000, 0.0002572700000000 ] - [ 0.0005790800000000, 0.0003778500000000, 0.0000906200000000 ] - [ -0.0005749400000000, 0.0004704800000000, 0.0003245700000000 ] - [ -0.0003819500000000, -0.0003730400000000, 0.0002728800000000 ] - [ -0.0010886100000000, 0.0010375700000000, -0.0010154900000000 ] - [ -0.0015358500000000, 0.0003901300000000, 0.0001280100000000 ] - [ -0.0002749200000000, -0.0003436800000000, -0.0006928200000000 ] - [ -0.0003209300000000, -0.0003347600000000, 0.0001529100000000 ] - [ -0.0006630900000000, -0.0004727300000000, -0.0002497800000000 ] - [ -0.0002569900000000, 0.0001189700000000, 0.0001598100000000 ] - [ 0.0007928400000000, -0.0005599300000000, -0.0000403000000000 ] - [ -0.0021816200000000, -0.0057830900000000, 0.0072031700000000 ] - [ 0.0007170700000000, -0.0002890900000000, 0.0002989400000000 ] - [ 0.0003310300000000, -0.0001162400000000, -0.0000693800000000 ] - [ -0.0008089900000000, -0.0011991800000000, -0.0007287000000000 ] - [ 0.0107901200000000, 0.0005079700000000, -0.0063809400000000 ] - [ -0.0005553200000000, 0.0007207800000000, -0.0003038900000000 ] - [ -0.0017413400000000, 0.0004704600000000, -0.0017514400000000 ] - [ -0.0011061300000000, -0.0002979700000000, -0.0003905000000000 ] - [ -0.0005526200000000, 0.0004492700000000, 0.0007767700000000 ] - [ 0.0009075200000000, 0.0006282500000000, 0.0001348300000000 ] - [ 0.0008427500000000, 0.0012939000000000, 0.0005695900000000 ] - [ -0.0009255600000000, -0.0004610400000000, 0.0003286700000000 ] - [ -0.0010594700000000, -0.0003443300000000, -0.0001894900000000 ] - [ 0.0009643200000000, 0.0025403800000000, 0.0015108600000000 ] - [ -0.0013022500000000, 0.0019345700000000, -0.0009198600000000 ] - [ 0.0000582400000000, -0.0008216900000000, -0.0001115900000000 ] - [ 0.0003064600000000, 0.0000746000000000, -0.0007060100000000 ] - [ 0.0004753400000000, -0.0005383600000000, -0.0005059300000000 ] - [ -0.0012704100000000, 0.0002183400000000, 0.0002184700000000 ] - [ -0.0075202700000000, 0.0026252000000000, -0.0058972100000000 ] - [ -0.0011488700000000, -0.0011318800000000, 0.0019331900000000 ] - [ -0.0008521200000000, 0.0000011600000000, 0.0001935900000000 ] - [ 0.0000180400000000, 0.0021412900000000, 0.0032376200000000 ] - [ -0.0043549000000000, 0.0004581400000000, -0.0013373100000000 ] - [ -0.0009403100000000, 0.0001860900000000, -0.0004835700000000 ] - [ 0.0001025600000000, -0.0010601900000000, 0.0003243800000000 ] - [ -0.0000611200000000, -0.0001183500000000, -0.0006222800000000 ] - [ 0.0000739100000000, -0.0007987300000000, 0.0014353700000000 ] - [ 0.0003749000000000, 0.0004925100000000, 0.0004216000000000 ] - [ 0.0009413400000000, -0.0015223200000000, -0.0008536500000000 ] - [ 0.0004862100000000, -0.0001053800000000, -0.0007822300000000 ] - [ 0.0004746300000000, -0.0017604000000000, 0.0027083300000000 ] - [ 0.0010402400000000, -0.0004077400000000, 0.0005638200000000 ] - [ 0.0000822300000000, 0.0003367800000000, -0.0001435600000000 ] - [ -0.0012629200000000, -0.0002438800000000, 0.0002741200000000 ] - [ 0.0173466200000000, 0.0030315400000000, -0.0114356400000000 ] - [ -0.0001966100000000, -0.0012323200000000, 0.0000704300000000 ] - [ -0.0005407500000000, 0.0002044900000000, -0.0004730700000000 ] - [ -0.0003209400000000, 0.0007533100000000, -0.0002180400000000 ] - [ 0.1918401800000000, 0.1856443700000000, 0.0024796000000000 ] - [ 0.0007615300000000, 0.0001017200000000, -0.0004933700000000 ] - [ -0.0069849900000000, -0.0016863700000000, -0.0046706000000000 ] - [ 0.0012973800000000, 0.0004776700000000, 0.0013635900000000 ] - [ 0.0002916200000000, 0.0002933700000000, 0.0004288800000000 ] - [ -0.0018296200000000, -0.0004071300000000, 0.0008318100000000 ] - [ 0.0012136500000000, -0.0007254500000000, -0.0002021500000000 ] - [ 0.0006534400000000, -0.0001754600000000, 0.0002736600000000 ] - [ -0.0002686300000000, -0.0003813600000000, -0.0002582800000000 ] - [ 0.0022441100000000, -0.0018543500000000, -0.0015521500000000 ] - [ -0.0034404100000000, -0.0014090900000000, 0.0001225100000000 ] - [ -0.0001571500000000, -0.0007985800000000, -0.0001849900000000 ] - [ -0.0028389700000000, -0.0031175300000000, 0.0006542800000000 ] - [ 0.0000593700000000, -0.0001544200000000, -0.0004582400000000 ] - [ -0.2253090400000000, -0.2231793700000000, 0.0043728100000000 ] - [ -0.0000127500000000, -0.0005753200000000, -0.0003818000000000 ] - [ -0.0004388800000000, 0.0001272500000000, -0.0000136700000000 ] - [ -0.0010280400000000, -0.0002473700000000, -0.0007347500000000 ] - [ 0.0002486000000000, -0.0003502600000000, -0.0003364100000000 ] - [ 0.0104208300000000, -0.0037745400000000, 0.0014117500000000 ] - [ -0.0010043400000000, -0.0005102600000000, -0.0000754300000000 ] - [ -0.0000883700000000, -0.0002174900000000, -0.0000058300000000 ] - [ -0.0000383600000000, -0.0002706500000000, -0.0003026000000000 ] - [ 0.0004896800000000, 0.0002849500000000, 0.0006832200000000 ] - [ 0.0004845200000000, 0.0002964700000000, -0.0004175400000000 ] - [ -0.0002587500000000, 0.0000766700000000, 0.0002194000000000 ] - [ -0.0004399900000000, -0.0001701800000000, -0.0001750400000000 ] - [ 0.0001583900000000, -0.0000322900000000, 0.0004567100000000 ] - [ 0.0001503000000000, -0.0004578600000000, 0.0007345800000000 ] - [ -0.0001851400000000, 0.0004148900000000, 0.0001816500000000 ] - [ 0.0002672100000000, -0.0005684900000000, 0.0001196000000000 ] - [ 0.0003619900000000, -0.0003443300000000, -0.0009276500000000 ] - [ -0.0000806600000000, 0.0001096100000000, 0.0004367900000000 ] - [ 0.0009093200000000, -0.0003543400000000, 0.0000000400000000 ] - [ -0.0004038000000000, 0.0004512700000000, 0.0001845300000000 ] - [ 0.0003545900000000, -0.0002078800000000, 0.0002037800000000 ] - [ 0.0049690900000000, 0.0004004800000000, 0.0014967200000000 ] - [ -0.0009324000000000, -0.0002176000000000, -0.0002050000000000 ] - [ -0.0013313600000000, -0.0004883900000000, -0.0020104500000000 ] - [ 0.0008489600000000, 0.0001628800000000, -0.0005841400000000 ] - [ 0.0004833900000000, 0.0000501000000000, 0.0008254700000000 ] - [ 0.0007238200000000, -0.0001148000000000, -0.0002394100000000 ] - [ -0.0001100100000000, -0.0001128400000000, 0.0000382000000000 ] - [ -0.0002725700000000, 0.0004488800000000, -0.0012300500000000 ] - [ 0.0008826100000000, -0.0000095000000000, -0.0003842500000000 ] - [ -0.0027899100000000, 0.0041434200000000, -0.0038976200000000 ] - [ 0.0011679500000000, 0.0002803500000000, 0.0001437800000000 ] - [ 0.0003197700000000, -0.0000187100000000, 0.0004898900000000 ] - [ 0.0003974400000000, 0.0002969800000000, 0.0000390900000000 ] - [ 0.0005723200000000, -0.0011569300000000, -0.0000130000000000 ] - [ -0.0004943300000000, 0.0000278900000000, -0.0001114100000000 ] - [ -0.0001762900000000, 0.0005779600000000, -0.0018312800000000 ] - [ 0.0005683900000000, -0.0000370100000000, 0.0008135800000000 ] - [ 0.0005636800000000, 0.0001003600000000, 0.0002018400000000 ] - [ -0.0006211800000000, 0.0000922900000000, 0.0004148700000000 ] - [ -0.0009610000000000, -0.0003533600000000, -0.0008647800000000 ] - [ 0.0001194000000000, -0.0003687800000000, 0.0010908200000000 ] - [ 0.0002766600000000, 0.0005238600000000, -0.0008394200000000 ] - [ 0.0009890400000000, 0.0005055000000000, 0.0000092700000000 ] - [ 0.0002972600000000, -0.0003408700000000, 0.0001046500000000 ] - [ 0.0004722600000000, -0.0001392900000000, 0.0002660000000000 ] - [ 0.0005917800000000, -0.0001845200000000, 0.0001480000000000 ] - [ -0.0003295800000000, -0.0001806200000000, 0.0009433100000000 ] - [ 0.0008531400000000, -0.0001090800000000, 0.0001696200000000 ] - [ -0.0000359300000000, -0.0001571100000000, -0.0003557000000000 ] - [ 0.0004810400000000, -0.0000164100000000, 0.0004218200000000 ] - [ -0.0001269100000000, 0.0007289900000000, -0.0000823500000000 ] - [ 0.0016431600000000, -0.0002196200000000, -0.0003267400000000 ] - [ 0.0003762900000000, 0.0000197400000000, -0.0005935700000000 ] - [ 0.0010695600000000, -0.0002319700000000, -0.0012768400000000 ] - [ 0.0004802200000000, -0.0001124900000000, 0.0004665900000000 ] - [ 0.0000173300000000, -0.0003743000000000, -0.0002103800000000 ] - [ -0.0003954400000000, 0.0002257300000000, 0.0004723700000000 ] - [ 0.0005525500000000, 0.0000128000000000, 0.0004296200000000 ] - [ 0.0005224900000000, 0.0000609100000000, -0.0004405500000000 ] - [ -0.0007260200000000, -0.0019248700000000, -0.0001304100000000 ] - [ -0.0006854500000000, 0.0000680000000000, 0.0002376600000000 ] - [ 0.0003962700000000, 0.0003293500000000, 0.0007431700000000 ] - [ -0.0002012700000000, -0.0004447700000000, -0.0004330200000000 ] - [ 0.0003349900000000, -0.0006036900000000, -0.0001280000000000 ] - [ 0.0000132100000000, -0.0004995000000000, 0.0001189800000000 ] - [ 0.0002384800000000, 0.0003720500000000, -0.0002681400000000 ] - [ 0.0000578000000000, 0.0003069200000000, 0.0001712500000000 ] - [ 0.0005955400000000, -0.0005627900000000, -0.0001804600000000 ] - [ 0.0019189600000000, -0.0011154500000000, -0.0028194600000000 ] - [ 0.0001445800000000, -0.0002780800000000, 0.0000244000000000 ] - [ 0.0000007800000000, -0.0000773800000000, -0.0003601400000000 ] - [ 0.0000622000000000, 0.0006747300000000, 0.0002512100000000 ] - [ 0.0004060300000000, 0.0012759600000000, 0.0007542000000000 ] - [ 0.0000262200000000, 0.0005446300000000, 0.0003290400000000 ] - [ 0.0009548800000000, -0.0001353400000000, -0.0002787200000000 ] - [ 0.0002097200000000, 0.0004679700000000, -0.0002856900000000 ] - [ -0.0001617500000000, -0.0002534500000000, -0.0001834000000000 ] - [ -0.0002837100000000, -0.0000479900000000, -0.0004894500000000 ] - [ 0.0187801300000000, 0.0274886700000000, -0.0099566400000000 ] - [ -0.0003322500000000, 0.0001264500000000, -0.0009491800000000 ] - [ -0.0021449800000000, 0.0019706900000000, 0.0007039900000000 ] - [ -0.0005863000000000, 0.0005787200000000, 0.0000588200000000 ] - [ 0.0009469800000000, -0.0004233800000000, -0.0007385800000000 ] - [ -0.0000576300000000, -0.0003693000000000, 0.0007154100000000 ] - [ -0.0000474900000000, -0.0001737300000000, 0.0003827200000000 ] - [ 0.0026611300000000, 0.0031185000000000, 0.0007213900000000 ] - [ 0.0003832800000000, -0.0005684100000000, 0.0001276300000000 ] - [ -0.0001798700000000, 0.0000014800000000, -0.0004691000000000 ] - [ -0.0004094900000000, 0.0007930300000000, 0.0003090000000000 ] - [ 0.0000890400000000, 0.0002090000000000, -0.0003056700000000 ] - [ 0.0014762100000000, 0.0002406100000000, -0.0001869800000000 ] - [ 0.0090790200000000, 0.0082874000000000, 0.0041407400000000 ] - [ 0.0004951400000000, 0.0001448000000000, 0.0001972200000000 ] - [ 0.0013805500000000, 0.0003010200000000, -0.0001928500000000 ] - [ -0.0001374300000000, 0.0004746900000000, 0.0002672200000000 ] - [ 0.0000040700000000, 0.0001601800000000, -0.0003128700000000 ] - [ -0.0006548600000000, 0.0003901800000000, 0.0008598800000000 ] - [ -0.0006240700000000, 0.0016243500000000, -0.0013948400000000 ] - [ 0.0011612400000000, -0.0007970400000000, 0.0002700500000000 ] - [ -0.0000189300000000, 0.0003068500000000, -0.0006493600000000 ] - [ 0.0001519900000000, 0.0004153600000000, -0.0002372200000000 ] - [ 0.0005976400000000, 0.0002135100000000, -0.0003470100000000 ] - [ 0.0001504900000000, 0.0006272800000000, 0.0000447900000000 ] - [ -0.0006886400000000, 0.0009657600000000, 0.0004110800000000 ] - [ -0.0004288700000000, -0.0000035200000000, 0.0000435200000000 ] - [ 0.0001667800000000, -0.0008392600000000, -0.0000669400000000 ] - [ 0.0006417100000000, -0.0003858500000000, 0.0003500200000000 ] - [ 0.0003681900000000, 0.0009566200000000, -0.0012845000000000 ] - [ -0.0004379200000000, 0.0005170200000000, 0.0000203300000000 ] - [ -0.0011734500000000, 0.0004404700000000, -0.0000734300000000 ] - [ 0.0000767300000000, 0.0001253300000000, 0.0004999500000000 ] - [ -0.0005168100000000, 0.0001376400000000, -0.0002583800000000 ] - [ -0.0002154200000000, -0.0001043300000000, 0.0008001700000000 ] - [ 0.0002776600000000, 0.0005193400000000, -0.0008368400000000 ] - [ -0.0001787400000000, 0.0010857100000000, -0.0002829000000000 ] - [ -0.0004749100000000, 0.0002681000000000, -0.0000953700000000 ] - [ -0.0002181000000000, -0.0000158500000000, 0.0005486400000000 ] - [ 0.0001243500000000, 0.0001828500000000, 0.0001386400000000 ] - [ -0.0002971700000000, -0.0000801600000000, 0.0008392200000000 ] - [ 0.0001920900000000, -0.0005639900000000, -0.0002071200000000 ] - [ -0.0004656600000000, -0.0002911200000000, -0.0004518600000000 ] - [ 0.0019498600000000, 0.0012243300000000, 0.0027059200000000 ] - [ -0.0073471400000000, -0.0062899800000000, 0.0015447100000000 ] - [ 0.0006146500000000, 0.0001205000000000, -0.0006340000000000 ] - [ -0.0041034500000000, 0.0149537200000000, 0.0184508300000000 ] - [ 0.0001003000000000, 0.0005419700000000, -0.0001266700000000 ] - [ -0.0021294700000000, -0.0009184300000000, 0.0027971400000000 ] - [ 0.0019760400000000, -0.0005050600000000, 0.0006735800000000 ] - [ -0.0003879500000000, -0.0000437000000000, 0.0006383400000000 ] - [ -0.0064894800000000, -0.0066939300000000, -0.0048723500000000 ] - [ -0.0010845300000000, 0.0008002000000000, -0.0000400000000000 ] - [ 0.0001089800000000, -0.0004248000000000, 0.0002491400000000 ] - [ 0.0030716200000000, 0.0006571900000000, 0.0001638200000000 ] - [ -0.0002835900000000, 0.0007521100000000, 0.0005689400000000 ] - [ -0.0001946000000000, -0.0003854200000000, -0.0002213800000000 ] - [ -0.0000348800000000, -0.0006204200000000, 0.0002227900000000 ] - [ -0.0025388500000000, 0.0002727900000000, 0.0015288400000000 ] - [ 0.0017201500000000, -0.0016421000000000, 0.0019937100000000 ] - [ 0.0003098000000000, 0.0006510800000000, 0.0001865800000000 ] - [ 0.0002490700000000, 0.0003229100000000, -0.0002349700000000 ] - [ 0.0003411500000000, 0.0004235200000000, -0.0001546700000000 ] - [ -0.0009676100000000, -0.0005669000000000, -0.0003919200000000 ]- atom: 81 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000794300000000, 0.0001583300000000, 0.0005074100000000 ] - [ 0.0002691900000000, -0.0004575400000000, -0.0011594200000000 ] - [ 0.0003101000000000, 0.0003371100000000, -0.0000792600000000 ] - [ 0.0000752400000000, 0.0000811800000000, 0.0000144800000000 ] - [ 0.0003955300000000, -0.0001355400000000, 0.0001220100000000 ] - [ -0.0003183400000000, 0.0003147300000000, -0.0003265200000000 ] - [ 0.0033073000000000, -0.0007557000000000, 0.0003737300000000 ] - [ -0.0001054200000000, -0.0001522400000000, -0.0001330500000000 ] - [ 0.0003029700000000, 0.0003020000000000, 0.0001756600000000 ] - [ -0.0000269900000000, 0.0001320900000000, -0.0000020400000000 ] - [ -0.0002177300000000, -0.0001180300000000, -0.0000135900000000 ] - [ -0.0031341600000000, 0.0008426700000000, 0.0006777100000000 ] - [ -0.0002046900000000, 0.0003587800000000, -0.0000259400000000 ] - [ 0.0004320900000000, -0.0000179400000000, -0.0001160100000000 ] - [ 0.0000237500000000, 0.0000450900000000, 0.0000341600000000 ] - [ -0.0002846500000000, -0.0006675900000000, -0.0000328500000000 ] - [ -0.0007989100000000, -0.0003653100000000, -0.0001829200000000 ] - [ -0.0005101200000000, -0.0004495500000000, -0.0001656700000000 ] - [ 0.0006466500000000, -0.0003977800000000, -0.0002477700000000 ] - [ 0.0003093100000000, 0.0004424200000000, -0.0003461300000000 ] - [ 0.0011638400000000, -0.0009698300000000, 0.0010938600000000 ] - [ 0.0014630600000000, -0.0003184600000000, -0.0002057500000000 ] - [ 0.0002053100000000, 0.0002717800000000, 0.0007699000000000 ] - [ 0.0003931600000000, 0.0002649400000000, -0.0002290600000000 ] - [ 0.0005923300000000, 0.0004018100000000, 0.0003252500000000 ] - [ 0.0003291400000000, -0.0001911000000000, -0.0002338900000000 ] - [ -0.0007271900000000, 0.0006419700000000, 0.0001222600000000 ] - [ 0.0021064600000000, 0.0058122600000000, -0.0072356200000000 ] - [ -0.0006447900000000, 0.0003636200000000, -0.0002226200000000 ] - [ -0.0004065700000000, 0.0001871700000000, -0.0000056300000000 ] - [ 0.0007415400000000, 0.0011313700000000, 0.0008043600000000 ] - [ -0.0112877600000000, -0.0009131200000000, 0.0071637200000000 ] - [ 0.0013202700000000, 0.0004627900000000, 0.0005958200000000 ] - [ 0.0014544700000000, 0.0002877100000000, 0.0005700300000000 ] - [ 0.0013967100000000, -0.0004645900000000, -0.0007865200000000 ] - [ 0.0008396700000000, 0.0003094400000000, 0.0004043500000000 ] - [ -0.0001516800000000, -0.0003417700000000, 0.0010436600000000 ] - [ -0.0020230700000000, -0.0015875000000000, 0.0001857200000000 ] - [ 0.0001707200000000, 0.0001778700000000, 0.0008535200000000 ] - [ -0.0001196600000000, -0.0004183200000000, 0.0004779300000000 ] - [ -0.0012475500000000, -0.0013544800000000, -0.0022747900000000 ] - [ 0.0005422300000000, -0.0007484800000000, 0.0006309700000000 ] - [ 0.0007027300000000, -0.0003548400000000, -0.0001755000000000 ] - [ 0.0004531000000000, -0.0003578800000000, -0.0004737500000000 ] - [ 0.0007043400000000, 0.0002482500000000, -0.0002563500000000 ] - [ 0.0024503200000000, 0.0005392400000000, 0.0000720500000000 ] - [ 0.0078405100000000, -0.0014464100000000, 0.0066926200000000 ] - [ -0.0000312600000000, 0.0018851800000000, -0.0022145800000000 ] - [ 0.0020314500000000, -0.0007603600000000, -0.0004822200000000 ] - [ 0.0011626500000000, -0.0018512200000000, -0.0024666400000000 ] - [ 0.0031838900000000, -0.0001712300000000, 0.0005807000000000 ] - [ 0.0001818300000000, 0.0001036900000000, -0.0006950300000000 ] - [ -0.0003948100000000, -0.0001199700000000, 0.0004342300000000 ] - [ -0.0007009800000000, -0.0010629100000000, 0.0009097400000000 ] - [ -0.0003609800000000, 0.0000392700000000, -0.0002491100000000 ] - [ -0.0000856100000000, -0.0016679700000000, -0.0011799000000000 ] - [ -0.0001900400000000, 0.0027107700000000, 0.0011666000000000 ] - [ -0.0007750200000000, 0.0008682300000000, -0.0003992100000000 ] - [ -0.0001836700000000, 0.0009971800000000, -0.0038763100000000 ] - [ -0.0007564800000000, 0.0011709000000000, 0.0006120000000000 ] - [ 0.0006802500000000, -0.0000465300000000, 0.0013175200000000 ] - [ 0.0000875800000000, -0.0000444800000000, 0.0004868500000000 ] - [ -0.0181015700000000, -0.0033007300000000, 0.0126442100000000 ] - [ -0.0009836600000000, 0.0004767000000000, 0.0002132700000000 ] - [ 0.0002549400000000, 0.0009727600000000, -0.0002889800000000 ] - [ -0.0004362900000000, 0.0004248300000000, -0.0000689100000000 ] - [ -0.1880143000000000, -0.1788736000000000, -0.0022340800000000 ] - [ -0.0000036800000000, -0.0003859500000000, -0.0006832200000000 ] - [ 0.0081567300000000, 0.0014112000000000, 0.0038980500000000 ] - [ -0.0001199800000000, 0.0002823200000000, -0.0010726100000000 ] - [ -0.0000087300000000, 0.0008867100000000, 0.0003321900000000 ] - [ 0.0006492200000000, 0.0011664700000000, -0.0011177700000000 ] - [ -0.0000385300000000, -0.0000323400000000, -0.0000875000000000 ] - [ 0.0005254900000000, 0.0004613400000000, 0.0004886000000000 ] - [ -0.0009133700000000, 0.0006687700000000, -0.0005008000000000 ] - [ -0.0029434600000000, 0.0022665100000000, 0.0003413800000000 ] - [ 0.0031574100000000, 0.0002357200000000, 0.0006328800000000 ] - [ -0.0006032100000000, -0.0003776900000000, 0.0004723200000000 ] - [ 0.0025493400000000, 0.0023476400000000, 0.0005276900000000 ] - [ 0.0002263000000000, -0.0010236500000000, -0.0002989200000000 ] - [ 0.2222907100000000, 0.2146080200000000, -0.0063492300000000 ] - [ 0.0001300100000000, 0.0018790000000000, 0.0008850500000000 ] - [ -0.0001972300000000, 0.0002525900000000, 0.0004983900000000 ] - [ 0.0005918000000000, 0.0009841600000000, 0.0011550200000000 ] - [ 0.0010535100000000, 0.0002314300000000, -0.0001727600000000 ] - [ -0.0101107000000000, 0.0045695700000000, -0.0018141400000000 ] - [ 0.0002615600000000, 0.0000794500000000, -0.0003420500000000 ] - [ -0.0004189100000000, 0.0003354600000000, -0.0013020500000000 ] - [ -0.0003729700000000, -0.0004720400000000, -0.0001358300000000 ] - [ -0.0003711000000000, 0.0002231600000000, 0.0006235600000000 ] - [ -0.0001104300000000, 0.0003429300000000, -0.0000675800000000 ] - [ -0.0004850800000000, 0.0003419800000000, 0.0002112400000000 ] - [ 0.0000061600000000, -0.0005710600000000, -0.0002415100000000 ] - [ 0.0002225800000000, -0.0004601700000000, 0.0001814100000000 ] - [ 0.0002669100000000, -0.0002840600000000, -0.0003023000000000 ] - [ -0.0002546800000000, -0.0000051800000000, 0.0005604400000000 ] - [ 0.0003740500000000, 0.0000734400000000, 0.0002599600000000 ] - [ -0.0002417100000000, -0.0001613000000000, -0.0003803200000000 ] - [ -0.0004166600000000, 0.0002737900000000, 0.0002052400000000 ] - [ -0.0005258600000000, 0.0008468800000000, -0.0006365900000000 ] - [ -0.0000929100000000, 0.0001905500000000, 0.0001982100000000 ] - [ 0.0001164100000000, -0.0004335700000000, 0.0001602500000000 ] - [ -0.0036805200000000, -0.0002832500000000, -0.0009971900000000 ] - [ -0.0003755100000000, -0.0002938200000000, 0.0003231200000000 ] - [ 0.0006837900000000, 0.0009728900000000, 0.0023776500000000 ] - [ -0.0003631100000000, 0.0002144800000000, -0.0000530500000000 ] - [ 0.0000254000000000, 0.0000689000000000, 0.0004814800000000 ] - [ -0.0002882600000000, 0.0005264700000000, -0.0005041100000000 ] - [ 0.0006134700000000, -0.0002739200000000, 0.0006012000000000 ] - [ -0.0004471800000000, -0.0008578500000000, 0.0007753800000000 ] - [ -0.0001432700000000, 0.0004324000000000, -0.0000476300000000 ] - [ 0.0034468600000000, -0.0037564700000000, 0.0033959800000000 ] - [ 0.0001389200000000, 0.0002301600000000, -0.0000240400000000 ] - [ -0.0006962800000000, 0.0005086200000000, 0.0001523800000000 ] - [ -0.0010423800000000, -0.0007992800000000, -0.0004242600000000 ] - [ -0.0000657600000000, -0.0001532600000000, -0.0001054400000000 ] - [ -0.0001448500000000, -0.0004075100000000, -0.0003790300000000 ] - [ 0.0000549800000000, -0.0000650700000000, 0.0005202500000000 ] - [ -0.0013117700000000, 0.0004738800000000, -0.0004009600000000 ] - [ -0.0018694800000000, 0.0004104600000000, -0.0003198500000000 ] - [ 0.0002184800000000, 0.0003510600000000, 0.0003285700000000 ] - [ -0.0003519000000000, 0.0004743500000000, 0.0003527300000000 ] - [ -0.0002399100000000, -0.0001439600000000, 0.0002136800000000 ] - [ -0.0007633700000000, -0.0008957000000000, 0.0001993400000000 ] - [ -0.0011099900000000, 0.0007996100000000, -0.0005148900000000 ] - [ -0.0007283200000000, -0.0000823100000000, -0.0008469100000000 ] - [ -0.0000390300000000, -0.0002808400000000, 0.0004742000000000 ] - [ 0.0000508200000000, -0.0001922600000000, 0.0003429300000000 ] - [ -0.0001825100000000, 0.0000602700000000, 0.0003647400000000 ] - [ -0.0001162400000000, -0.0003112200000000, 0.0002640000000000 ] - [ -0.0003819800000000, -0.0002807300000000, -0.0003833500000000 ] - [ 0.0002614600000000, -0.0004081300000000, 0.0000101600000000 ] - [ -0.0003829800000000, 0.0005762700000000, -0.0000377400000000 ] - [ -0.0003417300000000, -0.0002837400000000, 0.0002071300000000 ] - [ 0.0001298200000000, -0.0001404600000000, -0.0007106200000000 ] - [ -0.0005659500000000, 0.0008760600000000, 0.0008875700000000 ] - [ -0.0001141600000000, -0.0005277600000000, 0.0000094900000000 ] - [ 0.0001041600000000, -0.0009366800000000, -0.0003017800000000 ] - [ -0.0000042500000000, 0.0004182900000000, 0.0000481300000000 ] - [ -0.0001316900000000, -0.0004435300000000, 0.0003152700000000 ] - [ -0.0001147300000000, 0.0003769300000000, -0.0003050500000000 ] - [ 0.0006038700000000, 0.0006202800000000, 0.0006481500000000 ] - [ -0.0006152700000000, -0.0001878700000000, 0.0002745500000000 ] - [ -0.0008313200000000, 0.0004109800000000, -0.0003193600000000 ] - [ -0.0001848100000000, -0.0001949000000000, -0.0000660800000000 ] - [ 0.0001032300000000, -0.0001406500000000, 0.0005350600000000 ] - [ -0.0005230600000000, -0.0008102000000000, 0.0000017700000000 ] - [ 0.0004021500000000, 0.0001247900000000, -0.0001156700000000 ] - [ 0.0004505000000000, 0.0009995100000000, -0.0000499900000000 ] - [ -0.0001816700000000, 0.0013030400000000, -0.0002539100000000 ] - [ -0.0011694700000000, 0.0015504300000000, 0.0023988900000000 ] - [ -0.0006423000000000, -0.0003603100000000, -0.0004097100000000 ] - [ -0.0003791600000000, -0.0004137500000000, -0.0002820400000000 ] - [ 0.0000572100000000, 0.0006338200000000, 0.0002607500000000 ] - [ -0.0010433900000000, -0.0008869300000000, -0.0002595600000000 ] - [ -0.0004596300000000, 0.0001933500000000, 0.0000956600000000 ] - [ 0.0003475700000000, 0.0000159800000000, -0.0002349200000000 ] - [ 0.0002265500000000, 0.0002744600000000, -0.0001250300000000 ] - [ -0.0005789700000000, -0.0001815200000000, -0.0002343200000000 ] - [ -0.0002247500000000, 0.0001669800000000, -0.0008132700000000 ] - [ -0.0187410100000000, -0.0276698200000000, 0.0092220100000000 ] - [ 0.0004502700000000, 0.0003824800000000, 0.0022529900000000 ] - [ 0.0025015000000000, -0.0013269200000000, -0.0011876200000000 ] - [ -0.0001524200000000, -0.0001616200000000, 0.0003761400000000 ] - [ -0.0013915300000000, -0.0003171000000000, 0.0003342000000000 ] - [ 0.0004385200000000, -0.0001182800000000, -0.0000782400000000 ] - [ 0.0004647200000000, -0.0005679500000000, 0.0000516600000000 ] - [ -0.0030895200000000, -0.0026991300000000, 0.0000250800000000 ] - [ 0.0002564000000000, 0.0000656900000000, 0.0002609700000000 ] - [ 0.0003006700000000, -0.0005157100000000, -0.0008366700000000 ] - [ -0.0000767300000000, -0.0004188900000000, 0.0003329200000000 ] - [ 0.0002996300000000, 0.0002949600000000, -0.0003342500000000 ] - [ -0.0019793500000000, 0.0003993900000000, 0.0005737500000000 ] - [ -0.0086226600000000, -0.0090279000000000, -0.0037599800000000 ] - [ 0.0008127500000000, -0.0000254000000000, 0.0003154400000000 ] - [ -0.0026840200000000, -0.0008034500000000, 0.0003098700000000 ] - [ -0.0005070500000000, 0.0000262200000000, 0.0001164800000000 ] - [ 0.0004896000000000, 0.0002172400000000, -0.0003281800000000 ] - [ 0.0011482500000000, -0.0002908500000000, 0.0004219000000000 ] - [ 0.0010652900000000, -0.0012201100000000, 0.0006534500000000 ] - [ -0.0006673900000000, 0.0004185700000000, 0.0003724200000000 ] - [ -0.0007255000000000, -0.0007361100000000, 0.0002246900000000 ] - [ 0.0005898500000000, 0.0000029500000000, -0.0001961600000000 ] - [ 0.0000464200000000, 0.0001710200000000, -0.0001538500000000 ] - [ 0.0011540500000000, -0.0001156300000000, 0.0000762900000000 ] - [ 0.0003158300000000, -0.0004863400000000, 0.0002210300000000 ] - [ -0.0002108800000000, -0.0004851400000000, -0.0004214600000000 ] - [ 0.0003480800000000, -0.0004663000000000, -0.0000522500000000 ] - [ -0.0012803000000000, 0.0000065000000000, -0.0008387900000000 ] - [ -0.0004891200000000, -0.0004471400000000, -0.0000295200000000 ] - [ -0.0003013700000000, -0.0000806200000000, 0.0003946900000000 ] - [ -0.0001303000000000, 0.0000702300000000, -0.0000456000000000 ] - [ -0.0004908200000000, 0.0003114500000000, 0.0002389600000000 ] - [ -0.0007912300000000, -0.0000163800000000, -0.0002511400000000 ] - [ 0.0000944600000000, -0.0004110200000000, 0.0005079700000000 ] - [ -0.0007659000000000, -0.0008937300000000, 0.0001933100000000 ] - [ 0.0000613400000000, 0.0002189700000000, -0.0002280200000000 ] - [ 0.0000404100000000, -0.0006872900000000, -0.0006466700000000 ] - [ 0.0006572700000000, -0.0003941800000000, 0.0001954100000000 ] - [ 0.0005141000000000, -0.0005696000000000, 0.0003558600000000 ] - [ -0.0002091800000000, -0.0000395400000000, 0.0004688300000000 ] - [ 0.0005460000000000, 0.0001577900000000, 0.0006497700000000 ] - [ 0.0000645800000000, -0.0001569300000000, -0.0002876300000000 ] - [ -0.0012113900000000, -0.0016626200000000, -0.0022944900000000 ] - [ 0.0067507200000000, 0.0072853800000000, -0.0016518100000000 ] - [ 0.0006921500000000, -0.0006274400000000, 0.0005116200000000 ] - [ 0.0045540100000000, -0.0149396100000000, -0.0195929500000000 ] - [ 0.0003936800000000, 0.0000992800000000, -0.0002557100000000 ] - [ 0.0025153900000000, 0.0002739600000000, -0.0022987500000000 ] - [ -0.0018654000000000, -0.0008101500000000, -0.0011849700000000 ] - [ 0.0000114400000000, 0.0006852300000000, -0.0001512900000000 ] - [ 0.0069096200000000, 0.0062650400000000, 0.0056295400000000 ] - [ 0.0015118400000000, -0.0003997500000000, -0.0006982600000000 ] - [ -0.0002300200000000, -0.0008803500000000, 0.0002602200000000 ] - [ -0.0043843000000000, -0.0007791100000000, 0.0003439500000000 ] - [ -0.0001166600000000, -0.0000077000000000, -0.0001280600000000 ] - [ -0.0001850100000000, -0.0002586200000000, -0.0002727700000000 ] - [ 0.0004782700000000, -0.0001188500000000, 0.0001823700000000 ] - [ 0.0020195500000000, -0.0015717600000000, -0.0014153800000000 ] - [ -0.0010832000000000, 0.0021379000000000, -0.0023812600000000 ] - [ 0.0001945800000000, 0.0006510400000000, -0.0000695000000000 ] - [ 0.0001534300000000, 0.0004165100000000, -0.0002085900000000 ] - [ 0.0003998800000000, 0.0000121600000000, -0.0002633100000000 ] - [ 0.0004791400000000, -0.0000690100000000, 0.0000115500000000 ]- atom: 81 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000611100000000, 0.0000492100000000, -0.0005321200000000 ] - [ 0.0001350400000000, 0.0007434200000000, 0.0003156600000000 ] - [ 0.0000049900000000, -0.0002862900000000, -0.0000373800000000 ] - [ -0.0001178700000000, 0.0000090400000000, 0.0000708800000000 ] - [ -0.0002231500000000, 0.0001190600000000, -0.0001280300000000 ] - [ 0.0002233300000000, -0.0003772600000000, 0.0010646000000000 ] - [ -0.0015802600000000, 0.0010178300000000, -0.0000396100000000 ] - [ 0.0000967800000000, 0.0000299100000000, 0.0000260100000000 ] - [ -0.0004384800000000, -0.0002642200000000, -0.0002815200000000 ] - [ -0.0000305400000000, -0.0002442100000000, 0.0000026100000000 ] - [ 0.0002271500000000, 0.0004797300000000, -0.0004441400000000 ] - [ -0.0005242600000000, 0.0023880200000000, -0.0001881900000000 ] - [ -0.0000910700000000, -0.0011503900000000, -0.0001807500000000 ] - [ -0.0001568400000000, -0.0000636800000000, 0.0002087900000000 ] - [ 0.0000770800000000, -0.0003058600000000, 0.0000681200000000 ] - [ 0.0010546200000000, -0.0001112800000000, 0.0001382900000000 ] - [ 0.0000266800000000, 0.0008299000000000, 0.0000234400000000 ] - [ 0.0006687100000000, -0.0013461600000000, -0.0007416800000000 ] - [ -0.0001400800000000, 0.0005431300000000, 0.0000154200000000 ] - [ -0.0003910800000000, -0.0006072700000000, 0.0001860800000000 ] - [ -0.0000627200000000, 0.0006943300000000, -0.0001462500000000 ] - [ -0.0004230200000000, 0.0009181700000000, 0.0003529200000000 ] - [ -0.0009919800000000, -0.0001280800000000, -0.0013315200000000 ] - [ -0.0002162800000000, -0.0005088800000000, 0.0001280000000000 ] - [ -0.0002944600000000, -0.0008180900000000, -0.0001387400000000 ] - [ 0.0001016500000000, 0.0002122600000000, -0.0001342200000000 ] - [ 0.0014529200000000, -0.0026486300000000, -0.0009916600000000 ] - [ -0.0027570500000000, -0.0010183900000000, 0.0043268100000000 ] - [ 0.0009704900000000, -0.0008872800000000, 0.0007882300000000 ] - [ 0.0001468600000000, -0.0004715000000000, 0.0000466700000000 ] - [ -0.0006605300000000, -0.0011831800000000, -0.0005389700000000 ] - [ -0.0015813800000000, 0.0043478800000000, 0.0015871600000000 ] - [ -0.0002273200000000, 0.0006607800000000, -0.0001844100000000 ] - [ -0.0016417700000000, 0.0015802100000000, -0.0010321400000000 ] - [ -0.0005942500000000, -0.0004262300000000, -0.0002903400000000 ] - [ -0.0002198000000000, 0.0007008700000000, 0.0005600900000000 ] - [ 0.0008441900000000, 0.0005489600000000, 0.0010490200000000 ] - [ 0.0002107500000000, 0.0016947400000000, -0.0023379900000000 ] - [ -0.0006799200000000, -0.0006229300000000, 0.0003830300000000 ] - [ -0.0011446600000000, 0.0002402300000000, -0.0002707500000000 ] - [ 0.0005614200000000, 0.0044248300000000, 0.0003857600000000 ] - [ 0.0024525600000000, 0.0007940000000000, 0.0006615100000000 ] - [ 0.0001804700000000, -0.0010330800000000, -0.0001426000000000 ] - [ 0.0005653600000000, -0.0014931900000000, -0.0005700800000000 ] - [ 0.0003863700000000, -0.0009201500000000, -0.0006583200000000 ] - [ -0.0002396100000000, -0.0001028800000000, 0.0002340400000000 ] - [ -0.0012269600000000, 0.0044269900000000, -0.0002356300000000 ] - [ -0.0027992100000000, 0.0005318500000000, 0.0017099400000000 ] - [ -0.0000719000000000, 0.0003777800000000, 0.0000624100000000 ] - [ 0.0005475500000000, 0.0022426000000000, 0.0017503600000000 ] - [ -0.0018573800000000, 0.0013207600000000, -0.0006346600000000 ] - [ -0.0007280300000000, 0.0000356700000000, -0.0004693600000000 ] - [ -0.0001144800000000, -0.0014181900000000, 0.0001182200000000 ] - [ -0.0002834900000000, 0.0005391100000000, -0.0000037400000000 ] - [ -0.0005417400000000, -0.0007439800000000, 0.0015346000000000 ] - [ 0.0011090800000000, 0.0002210300000000, -0.0003494500000000 ] - [ 0.0009471700000000, -0.0025889800000000, -0.0050257200000000 ] - [ 0.0000943600000000, -0.0005838600000000, -0.0006204300000000 ] - [ -0.0005892600000000, -0.0036098200000000, 0.0066140600000000 ] - [ -0.0002358300000000, -0.0028605000000000, 0.0010913700000000 ] - [ 0.0013528800000000, -0.0002645900000000, 0.0011481800000000 ] - [ -0.0006068400000000, -0.0005867200000000, 0.0000505800000000 ] - [ 0.0111088300000000, 0.0021664200000000, -0.0123578100000000 ] - [ -0.0005348600000000, -0.0024680500000000, 0.0006020700000000 ] - [ -0.0001402000000000, -0.0002056000000000, -0.0004316500000000 ] - [ -0.0003853600000000, 0.0006041800000000, -0.0000427400000000 ] - [ 0.1936363100000000, 0.3101234400000000, 0.0153868400000000 ] - [ 0.0004642600000000, 0.0004048400000000, -0.0006899000000000 ] - [ -0.0078610100000000, 0.0014889300000000, -0.0052723400000000 ] - [ 0.0010572200000000, 0.0003187200000000, 0.0024096600000000 ] - [ 0.0002508100000000, -0.0002388900000000, 0.0004717100000000 ] - [ -0.0019214900000000, -0.0004762700000000, 0.0006993100000000 ] - [ 0.0005514600000000, -0.0017158200000000, -0.0001165500000000 ] - [ 0.0009055700000000, -0.0010283600000000, 0.0000359700000000 ] - [ -0.0004562200000000, -0.0010370700000000, -0.0001658700000000 ] - [ -0.0058653100000000, -0.0191291500000000, 0.0019121600000000 ] - [ -0.0026335100000000, -0.0007111200000000, -0.0002571000000000 ] - [ -0.0000970900000000, -0.0017424900000000, 0.0001350200000000 ] - [ -0.0022727300000000, -0.0021388000000000, 0.0006633600000000 ] - [ 0.0010972800000000, -0.0008583200000000, -0.0014442500000000 ] - [ -0.2254799200000000, -0.3733309700000000, -0.0141787800000000 ] - [ -0.0002347900000000, -0.0005690500000000, 0.0000694100000000 ] - [ -0.0002431600000000, 0.0000448100000000, -0.0000140200000000 ] - [ -0.0006713000000000, -0.0006045700000000, -0.0001823800000000 ] - [ -0.0002461700000000, -0.0003497800000000, 0.0002077600000000 ] - [ 0.0019242200000000, -0.0026370600000000, 0.0002603800000000 ] - [ -0.0010406200000000, 0.0000878800000000, 0.0019569100000000 ] - [ -0.0009926400000000, 0.0002133700000000, -0.0011727600000000 ] - [ -0.0000915000000000, -0.0001910800000000, -0.0002726200000000 ] - [ 0.0002701200000000, 0.0003487800000000, 0.0005546300000000 ] - [ 0.0004182200000000, 0.0003410800000000, -0.0003959100000000 ] - [ -0.0002636600000000, -0.0002043100000000, 0.0003926200000000 ] - [ -0.0003779000000000, -0.0000934800000000, -0.0001560900000000 ] - [ -0.0000179400000000, 0.0003761500000000, 0.0003983200000000 ] - [ 0.0002139000000000, -0.0006910000000000, 0.0003095900000000 ] - [ -0.0000184400000000, 0.0005314700000000, 0.0002067400000000 ] - [ 0.0000017900000000, -0.0004025900000000, 0.0005103000000000 ] - [ 0.0002076900000000, -0.0004361100000000, -0.0007624800000000 ] - [ 0.0001353600000000, -0.0001678400000000, 0.0006150300000000 ] - [ -0.0004037800000000, -0.0005053100000000, -0.0004863300000000 ] - [ -0.0002950900000000, 0.0006437100000000, 0.0000939200000000 ] - [ 0.0003797200000000, -0.0001178800000000, 0.0002811900000000 ] - [ 0.0016393800000000, -0.0003705400000000, 0.0004307700000000 ] - [ -0.0004237100000000, -0.0001140100000000, -0.0004471900000000 ] - [ -0.0006650400000000, -0.0013199400000000, -0.0017074500000000 ] - [ 0.0003973400000000, -0.0000512200000000, -0.0004309300000000 ] - [ 0.0004114100000000, 0.0000797000000000, 0.0007806100000000 ] - [ 0.0004492200000000, 0.0000092900000000, -0.0003696100000000 ] - [ -0.0001290800000000, -0.0000300500000000, -0.0002134400000000 ] - [ 0.0002096700000000, -0.0006091900000000, -0.0009556800000000 ] - [ 0.0005821200000000, -0.0002438200000000, -0.0004181700000000 ] - [ -0.0004714300000000, 0.0090094000000000, -0.0112085600000000 ] - [ 0.0009984000000000, 0.0001477300000000, 0.0001551100000000 ] - [ 0.0000691100000000, 0.0000340100000000, 0.0004398500000000 ] - [ 0.0002003000000000, 0.0001350000000000, 0.0000455900000000 ] - [ -0.0003264900000000, 0.0002417100000000, -0.0000907400000000 ] - [ -0.0004343600000000, 0.0002034100000000, -0.0001098900000000 ] - [ 0.0000923200000000, 0.0002977900000000, -0.0017557800000000 ] - [ -0.0001518300000000, -0.0002312800000000, 0.0005277200000000 ] - [ 0.0001668800000000, -0.0000721900000000, 0.0000501300000000 ] - [ -0.0005357800000000, 0.0002713100000000, 0.0000772300000000 ] - [ -0.0007955300000000, -0.0006816200000000, -0.0005399400000000 ] - [ 0.0001081600000000, -0.0006152500000000, 0.0009845800000000 ] - [ 0.0006104800000000, 0.0003377000000000, -0.0009926000000000 ] - [ 0.0006182100000000, -0.0001839400000000, 0.0000056900000000 ] - [ 0.0006913600000000, -0.0007949800000000, -0.0000761300000000 ] - [ 0.0002895700000000, -0.0003024200000000, 0.0003615100000000 ] - [ 0.0004222700000000, -0.0003515900000000, 0.0002966000000000 ] - [ -0.0002759900000000, -0.0002930100000000, 0.0008138000000000 ] - [ 0.0005515900000000, 0.0001005200000000, 0.0002539600000000 ] - [ -0.0004301700000000, 0.0003284400000000, -0.0004637800000000 ] - [ 0.0006240400000000, 0.0001089700000000, 0.0006176900000000 ] - [ -0.0002048900000000, 0.0008764100000000, -0.0001031900000000 ] - [ 0.0014211500000000, -0.0002336300000000, -0.0002930100000000 ] - [ 0.0003139300000000, 0.0000713000000000, -0.0005617800000000 ] - [ 0.0005554100000000, -0.0001910500000000, -0.0007069200000000 ] - [ 0.0003572300000000, -0.0000857900000000, 0.0003874700000000 ] - [ 0.0000017700000000, -0.0000292500000000, -0.0001609200000000 ] - [ -0.0005946900000000, 0.0003801800000000, 0.0001137400000000 ] - [ 0.0004389800000000, 0.0000795700000000, 0.0004547500000000 ] - [ 0.0003415300000000, 0.0001128500000000, -0.0004154000000000 ] - [ -0.0006771900000000, -0.0028260800000000, 0.0011025800000000 ] - [ -0.0005154600000000, 0.0001839400000000, 0.0002762700000000 ] - [ 0.0002374600000000, 0.0003334000000000, 0.0006135800000000 ] - [ -0.0001716100000000, -0.0005376100000000, -0.0002126100000000 ] - [ -0.0000297800000000, -0.0006288900000000, 0.0002986500000000 ] - [ -0.0001075900000000, -0.0004164000000000, 0.0001003000000000 ] - [ 0.0002041000000000, 0.0006499600000000, -0.0004193000000000 ] - [ 0.0000250800000000, 0.0000600200000000, -0.0000933500000000 ] - [ -0.0018701300000000, 0.0011395500000000, -0.0001053300000000 ] - [ 0.0011920400000000, -0.0008895500000000, -0.0017012300000000 ] - [ -0.0001169200000000, -0.0001602900000000, -0.0000624200000000 ] - [ -0.0000226500000000, 0.0000172400000000, -0.0003487600000000 ] - [ -0.0000080400000000, 0.0013256700000000, 0.0005232700000000 ] - [ 0.0003387800000000, 0.0010128100000000, 0.0005469900000000 ] - [ -0.0001702900000000, 0.0006407100000000, 0.0002363100000000 ] - [ 0.0002306700000000, 0.0000789700000000, -0.0000533100000000 ] - [ 0.0001615700000000, 0.0006332400000000, -0.0002839000000000 ] - [ -0.0003579000000000, -0.0001803300000000, -0.0001172600000000 ] - [ -0.0003452700000000, 0.0000212800000000, -0.0008488100000000 ] - [ 0.0097268100000000, 0.0009386200000000, -0.0010518200000000 ] - [ -0.0004098400000000, 0.0000428500000000, -0.0029112500000000 ] - [ 0.0027696400000000, 0.0035166700000000, -0.0034034800000000 ] - [ -0.0008830600000000, 0.0015390200000000, -0.0003212700000000 ] - [ 0.0005026200000000, -0.0004958800000000, -0.0004924900000000 ] - [ 0.0003164000000000, -0.0007889300000000, 0.0004701700000000 ] - [ -0.0000523400000000, 0.0001918000000000, 0.0003533200000000 ] - [ 0.0016238900000000, 0.0016159900000000, 0.0004553100000000 ] - [ 0.0000143800000000, -0.0004077700000000, 0.0005204600000000 ] - [ 0.0000821700000000, 0.0006842100000000, -0.0005038900000000 ] - [ -0.0004860700000000, 0.0011037500000000, 0.0001670300000000 ] - [ 0.0001528100000000, 0.0003392100000000, -0.0003295300000000 ] - [ 0.0003355500000000, -0.0000625000000000, 0.0000830900000000 ] - [ 0.0112217900000000, 0.0060952500000000, 0.0038393700000000 ] - [ 0.0006335300000000, 0.0003273300000000, 0.0002023500000000 ] - [ 0.0005874600000000, 0.0001051800000000, -0.0001023200000000 ] - [ -0.0002348500000000, 0.0006525300000000, 0.0003189600000000 ] - [ 0.0004029300000000, 0.0007997400000000, -0.0001673800000000 ] - [ 0.0019159000000000, 0.0037819100000000, 0.0052495500000000 ] - [ -0.0010175300000000, 0.0028552400000000, -0.0024688000000000 ] - [ 0.0004892400000000, -0.0003588800000000, 0.0002653900000000 ] - [ -0.0000478000000000, 0.0003784200000000, -0.0006061700000000 ] - [ 0.0003258400000000, 0.0008725000000000, -0.0001845300000000 ] - [ 0.0004784500000000, 0.0003131700000000, -0.0003958200000000 ] - [ 0.0007877100000000, 0.0011716100000000, -0.0000018100000000 ] - [ -0.0009123000000000, 0.0017569300000000, 0.0011904500000000 ] - [ -0.0003769200000000, 0.0001413000000000, 0.0003588300000000 ] - [ 0.0002094500000000, -0.0009125100000000, -0.0000823200000000 ] - [ 0.0003136500000000, -0.0009119900000000, -0.0002240400000000 ] - [ 0.0003218700000000, 0.0007447900000000, -0.0011089900000000 ] - [ -0.0002997600000000, 0.0009286700000000, -0.0001914100000000 ] - [ -0.0008630100000000, 0.0006826200000000, -0.0000714800000000 ] - [ -0.0004714700000000, 0.0000339400000000, 0.0002543500000000 ] - [ -0.0008256900000000, 0.0003401900000000, -0.0002527000000000 ] - [ -0.0000909700000000, 0.0001937300000000, 0.0004820300000000 ] - [ 0.0006022400000000, 0.0003288700000000, -0.0007316600000000 ] - [ -0.0001691200000000, 0.0014800800000000, -0.0002439000000000 ] - [ -0.0004047800000000, 0.0004043400000000, -0.0001800000000000 ] - [ 0.0004807400000000, 0.0017761500000000, 0.0004810800000000 ] - [ 0.0005925800000000, 0.0015364300000000, -0.0003372800000000 ] - [ -0.0002961100000000, 0.0003142200000000, 0.0005268400000000 ] - [ 0.0003139900000000, -0.0008250200000000, -0.0004146000000000 ] - [ -0.0002066100000000, -0.0005625400000000, -0.0002712800000000 ] - [ 0.0021582600000000, 0.0006855200000000, 0.0024797700000000 ] - [ 0.0095484600000000, 0.0465802400000000, -0.0045188000000000 ] - [ 0.0029997700000000, 0.0003247400000000, -0.0018098600000000 ] - [ 0.0070847900000000, 0.0063568000000000, 0.0145651300000000 ] - [ -0.0000128400000000, 0.0009711000000000, 0.0000676600000000 ] - [ -0.0007592000000000, -0.0008399400000000, 0.0033749300000000 ] - [ 0.0016968500000000, -0.0032084000000000, -0.0000225600000000 ] - [ -0.0004066000000000, 0.0001165000000000, 0.0000934900000000 ] - [ -0.0040414000000000, -0.0053268000000000, -0.0004822300000000 ] - [ -0.0023208400000000, 0.0059173500000000, -0.0000118000000000 ] - [ 0.0000005400000000, -0.0001454000000000, 0.0002487900000000 ] - [ 0.0030282200000000, 0.0001435700000000, 0.0003479200000000 ] - [ 0.0005879300000000, 0.0007362100000000, 0.0017159000000000 ] - [ -0.0003760600000000, 0.0001661900000000, -0.0002117900000000 ] - [ -0.0006811200000000, -0.0002777800000000, 0.0009436300000000 ] - [ -0.0012899500000000, -0.0002881100000000, 0.0021762400000000 ] - [ 0.0001035900000000, -0.0013191100000000, 0.0005429800000000 ] - [ 0.0001858600000000, 0.0012699000000000, 0.0000522200000000 ] - [ 0.0001973200000000, 0.0003671300000000, -0.0002173300000000 ] - [ 0.0002771100000000, 0.0007530400000000, 0.0000755500000000 ] - [ -0.0002257500000000, -0.0008114800000000, 0.0003986500000000 ]- atom: 81 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001821700000000, 0.0000707100000000, 0.0004118800000000 ] - [ -0.0002622900000000, -0.0006175100000000, -0.0001910600000000 ] - [ 0.0001167200000000, 0.0004070700000000, -0.0000823000000000 ] - [ -0.0000024300000000, 0.0001138100000000, 0.0000483800000000 ] - [ 0.0001011800000000, -0.0002406600000000, 0.0000073800000000 ] - [ -0.0001025300000000, 0.0002581900000000, -0.0009383400000000 ] - [ 0.0017056100000000, -0.0011384600000000, 0.0001591100000000 ] - [ -0.0002188800000000, -0.0001516900000000, -0.0001451200000000 ] - [ 0.0005571300000000, 0.0003859800000000, 0.0001610200000000 ] - [ -0.0000914900000000, 0.0003665900000000, 0.0001172800000000 ] - [ -0.0001062700000000, -0.0003580800000000, 0.0003266700000000 ] - [ 0.0005052800000000, -0.0028064900000000, 0.0002176100000000 ] - [ -0.0000318700000000, 0.0010270700000000, 0.0000594900000000 ] - [ 0.0002780700000000, -0.0000572600000000, -0.0000893000000000 ] - [ 0.0000454500000000, 0.0001849100000000, 0.0000516500000000 ] - [ -0.0011667600000000, -0.0000077100000000, -0.0002563100000000 ] - [ -0.0000972500000000, -0.0009000900000000, 0.0000490400000000 ] - [ -0.0006044500000000, 0.0012716500000000, 0.0006693000000000 ] - [ 0.0002117300000000, -0.0004725200000000, 0.0000589500000000 ] - [ 0.0003200400000000, 0.0006744600000000, -0.0002599500000000 ] - [ 0.0001353400000000, -0.0006185100000000, 0.0002163700000000 ] - [ 0.0003486100000000, -0.0008502000000000, -0.0004272800000000 ] - [ 0.0009209400000000, 0.0000665200000000, 0.0014041300000000 ] - [ 0.0002870800000000, 0.0004399000000000, -0.0002045000000000 ] - [ 0.0002228400000000, 0.0007491000000000, 0.0002152800000000 ] - [ -0.0000284300000000, -0.0002799300000000, 0.0000606200000000 ] - [ -0.0013715400000000, 0.0027079300000000, 0.0010525600000000 ] - [ 0.0026735100000000, 0.0011136400000000, -0.0044056000000000 ] - [ -0.0008998200000000, 0.0009606800000000, -0.0007140500000000 ] - [ -0.0002206900000000, 0.0005425600000000, -0.0001188700000000 ] - [ 0.0005951500000000, 0.0011098500000000, 0.0006136300000000 ] - [ 0.0015489200000000, -0.0044281100000000, -0.0016149200000000 ] - [ 0.0009919400000000, 0.0005192600000000, 0.0004738000000000 ] - [ 0.0013520200000000, -0.0008170500000000, -0.0001440900000000 ] - [ 0.0008833300000000, -0.0003338000000000, -0.0008876200000000 ] - [ 0.0005059500000000, 0.0000600000000000, 0.0006206200000000 ] - [ -0.0000810000000000, -0.0002542500000000, 0.0001329800000000 ] - [ -0.0013920000000000, -0.0019979000000000, 0.0030964300000000 ] - [ -0.0000733000000000, 0.0003379100000000, 0.0007991500000000 ] - [ -0.0000348000000000, -0.0010004200000000, 0.0005584100000000 ] - [ -0.0008481900000000, -0.0032370000000000, -0.0011536100000000 ] - [ -0.0032175000000000, 0.0003814900000000, -0.0009507600000000 ] - [ 0.0005812700000000, -0.0001435500000000, -0.0001447700000000 ] - [ 0.0001898200000000, 0.0012075700000000, -0.0006088900000000 ] - [ 0.0007902500000000, 0.0006312100000000, -0.0001052400000000 ] - [ 0.0014209100000000, 0.0008657500000000, 0.0000564000000000 ] - [ 0.0014878100000000, -0.0032425400000000, 0.0009596700000000 ] - [ 0.0016239300000000, 0.0002135600000000, -0.0019891600000000 ] - [ 0.0012487400000000, -0.0011352200000000, -0.0003473000000000 ] - [ 0.0006300800000000, -0.0019621100000000, -0.0009946500000000 ] - [ 0.0006719400000000, -0.0010381100000000, -0.0001325400000000 ] - [ -0.0000293300000000, 0.0002517100000000, -0.0007097300000000 ] - [ -0.0001797400000000, 0.0002408700000000, 0.0006406100000000 ] - [ -0.0004746200000000, -0.0017142500000000, 0.0002875600000000 ] - [ 0.0002564000000000, -0.0000174300000000, -0.0003489900000000 ] - [ -0.0008231600000000, -0.0014023200000000, -0.0004098100000000 ] - [ -0.0001813000000000, 0.0037863200000000, 0.0052599500000000 ] - [ -0.0003793200000000, 0.0013411800000000, -0.0005577100000000 ] - [ 0.0008830400000000, 0.0028368600000000, -0.0077791200000000 ] - [ 0.0005224400000000, 0.0036106300000000, 0.0000918400000000 ] - [ -0.0005936600000000, 0.0005505100000000, 0.0000272500000000 ] - [ -0.0005664400000000, 0.0003005100000000, 0.0007081000000000 ] - [ -0.0118195800000000, -0.0023845100000000, 0.0135432000000000 ] - [ -0.0006383900000000, 0.0017011200000000, -0.0003108700000000 ] - [ -0.0001418400000000, 0.0013815800000000, -0.0003313000000000 ] - [ -0.0003699300000000, 0.0005791100000000, -0.0002432200000000 ] - [ -0.1804853100000000, -0.2980999700000000, -0.0147225200000000 ] - [ 0.0002939900000000, -0.0006846500000000, -0.0004854900000000 ] - [ 0.0090393600000000, -0.0017990900000000, 0.0045035400000000 ] - [ 0.0001218500000000, 0.0004393000000000, -0.0021217200000000 ] - [ 0.0000298100000000, 0.0014186400000000, 0.0002879300000000 ] - [ 0.0007336500000000, 0.0012358400000000, -0.0009866100000000 ] - [ 0.0006218800000000, 0.0009510000000000, -0.0001641300000000 ] - [ 0.0002814100000000, 0.0013119300000000, 0.0007204900000000 ] - [ -0.0007279100000000, 0.0013239700000000, -0.0005941900000000 ] - [ 0.0050146800000000, 0.0192771800000000, -0.0030717300000000 ] - [ 0.0023451600000000, -0.0004726400000000, 0.0010129700000000 ] - [ -0.0006670800000000, 0.0005633600000000, 0.0001516200000000 ] - [ 0.0019815200000000, 0.0013849400000000, 0.0005189900000000 ] - [ -0.0008011300000000, -0.0003126000000000, 0.0006762900000000 ] - [ 0.2124165400000000, 0.3593807200000000, 0.0125508200000000 ] - [ 0.0003548600000000, 0.0018803600000000, 0.0004358600000000 ] - [ -0.0003931800000000, 0.0003358300000000, 0.0004969200000000 ] - [ 0.0002346800000000, 0.0013417900000000, 0.0006013500000000 ] - [ 0.0015499400000000, 0.0002319500000000, -0.0007170400000000 ] - [ -0.0014508500000000, 0.0033673100000000, -0.0006667000000000 ] - [ 0.0003022000000000, -0.0005228900000000, -0.0023735800000000 ] - [ 0.0004879000000000, -0.0000912400000000, -0.0001358900000000 ] - [ -0.0003162500000000, -0.0005500500000000, -0.0001681400000000 ] - [ -0.0001489400000000, 0.0001574100000000, 0.0007534200000000 ] - [ -0.0000430400000000, 0.0002986700000000, -0.0000886200000000 ] - [ -0.0004770000000000, 0.0006164700000000, 0.0000446200000000 ] - [ -0.0000540200000000, -0.0006487700000000, -0.0002620300000000 ] - [ 0.0004002400000000, -0.0008670000000000, 0.0002397100000000 ] - [ 0.0002021000000000, -0.0000521300000000, 0.0001252500000000 ] - [ -0.0004248400000000, -0.0001249300000000, 0.0005345600000000 ] - [ 0.0006381600000000, -0.0000933200000000, -0.0001254300000000 ] - [ -0.0000857100000000, -0.0000690100000000, -0.0005472900000000 ] - [ -0.0006314900000000, 0.0005524300000000, 0.0000237500000000 ] - [ 0.0007930800000000, 0.0010051100000000, -0.0001486600000000 ] - [ -0.0001970400000000, -0.0000013400000000, 0.0002862600000000 ] - [ 0.0000925400000000, -0.0005200200000000, 0.0000870000000000 ] - [ -0.0003177900000000, 0.0004955300000000, 0.0000819100000000 ] - [ -0.0008854300000000, -0.0003963100000000, 0.0005678100000000 ] - [ 0.0000263900000000, 0.0018002400000000, 0.0020830500000000 ] - [ 0.0000888100000000, 0.0004276700000000, -0.0002086100000000 ] - [ 0.0000970300000000, 0.0000416900000000, 0.0005278300000000 ] - [ -0.0000126600000000, 0.0003991100000000, -0.0003737800000000 ] - [ 0.0006329200000000, -0.0003549900000000, 0.0008547400000000 ] - [ -0.0009470400000000, 0.0001991600000000, 0.0005152000000000 ] - [ 0.0001555900000000, 0.0006606800000000, -0.0000209300000000 ] - [ 0.0011210600000000, -0.0086935800000000, 0.0108149500000000 ] - [ 0.0003092400000000, 0.0003619000000000, -0.0000345800000000 ] - [ -0.0004496700000000, 0.0004593600000000, 0.0002002800000000 ] - [ -0.0008441600000000, -0.0006305600000000, -0.0004290600000000 ] - [ 0.0008340800000000, -0.0015483400000000, -0.0000294200000000 ] - [ -0.0002052400000000, -0.0005779000000000, -0.0003750000000000 ] - [ -0.0002159800000000, 0.0002168700000000, 0.0004429100000000 ] - [ -0.0005890000000000, 0.0006671200000000, -0.0001096800000000 ] - [ -0.0014711500000000, 0.0005828100000000, -0.0001703300000000 ] - [ 0.0001306900000000, 0.0001710100000000, 0.0006644600000000 ] - [ -0.0005125700000000, 0.0008043500000000, 0.0000298500000000 ] - [ -0.0002291200000000, 0.0001013900000000, 0.0003185400000000 ] - [ -0.0010906200000000, -0.0007113700000000, 0.0003487100000000 ] - [ -0.0007383700000000, 0.0014976200000000, -0.0005092600000000 ] - [ -0.0011228000000000, 0.0003702900000000, -0.0006648800000000 ] - [ 0.0001453300000000, -0.0001155400000000, 0.0003783800000000 ] - [ 0.0002173300000000, -0.0000283300000000, 0.0001958100000000 ] - [ -0.0002359000000000, 0.0001690500000000, 0.0004952200000000 ] - [ 0.0001850100000000, -0.0005219000000000, 0.0001792400000000 ] - [ 0.0000172600000000, -0.0007678700000000, -0.0002761400000000 ] - [ 0.0001175700000000, -0.0005373400000000, -0.0001880000000000 ] - [ -0.0003045300000000, 0.0004303900000000, -0.0000182800000000 ] - [ -0.0001156000000000, -0.0002700700000000, 0.0001708500000000 ] - [ 0.0001913300000000, -0.0001928100000000, -0.0007422600000000 ] - [ -0.0000510300000000, 0.0008355800000000, 0.0003192900000000 ] - [ 0.0000068100000000, -0.0005525600000000, 0.0000844100000000 ] - [ 0.0001219300000000, -0.0012812900000000, -0.0003506700000000 ] - [ 0.0001956200000000, 0.0002669200000000, 0.0004087700000000 ] - [ -0.0000239000000000, -0.0005155300000000, 0.0002877900000000 ] - [ 0.0000577500000000, 0.0003330600000000, -0.0003276400000000 ] - [ 0.0005542600000000, 0.0015253400000000, -0.0005830400000000 ] - [ -0.0007845400000000, -0.0003049700000000, 0.0002377200000000 ] - [ -0.0006709600000000, 0.0004079700000000, -0.0001882600000000 ] - [ -0.0002141300000000, -0.0001032800000000, -0.0002860300000000 ] - [ 0.0004751300000000, -0.0001116300000000, 0.0001017900000000 ] - [ -0.0004022000000000, -0.0008905400000000, 0.0000216200000000 ] - [ 0.0004389600000000, -0.0001528500000000, 0.0000372500000000 ] - [ 0.0004815800000000, 0.0012414400000000, 0.0002157500000000 ] - [ 0.0022827500000000, -0.0003991300000000, -0.0003364900000000 ] - [ -0.0004523200000000, 0.0013375200000000, 0.0013021700000000 ] - [ -0.0003797300000000, -0.0004787400000000, -0.0003228000000000 ] - [ -0.0003588400000000, -0.0005090700000000, -0.0002906000000000 ] - [ 0.0001273000000000, -0.0000174600000000, -0.0000095000000000 ] - [ -0.0009751400000000, -0.0006302800000000, -0.0000574500000000 ] - [ -0.0002646600000000, 0.0000979600000000, 0.0001863600000000 ] - [ 0.0010671200000000, -0.0002005300000000, -0.0004580800000000 ] - [ 0.0002821400000000, 0.0001070000000000, -0.0001198300000000 ] - [ -0.0003831800000000, -0.0002573300000000, -0.0002970500000000 ] - [ -0.0001637300000000, 0.0000990700000000, -0.0004553300000000 ] - [ -0.0100511500000000, -0.0017890400000000, 0.0006539000000000 ] - [ 0.0005307000000000, 0.0004676500000000, 0.0042222200000000 ] - [ -0.0023278700000000, -0.0028475000000000, 0.0028528300000000 ] - [ 0.0001368000000000, -0.0011130600000000, 0.0007523900000000 ] - [ -0.0009511700000000, -0.0002395100000000, 0.0000924700000000 ] - [ 0.0000643500000000, 0.0003017300000000, 0.0001682100000000 ] - [ 0.0004683700000000, -0.0009333200000000, 0.0000825900000000 ] - [ -0.0020700800000000, -0.0012213800000000, 0.0002859900000000 ] - [ 0.0006235500000000, -0.0000990500000000, -0.0001285200000000 ] - [ 0.0000408000000000, -0.0011939000000000, -0.0008080500000000 ] - [ -0.0000004400000000, -0.0007247400000000, 0.0004715600000000 ] - [ 0.0002317500000000, 0.0001593200000000, -0.0003116300000000 ] - [ -0.0008321100000000, 0.0007015900000000, 0.0003058100000000 ] - [ -0.0108043000000000, -0.0068175800000000, -0.0034583500000000 ] - [ 0.0006756000000000, -0.0002056000000000, 0.0003101700000000 ] - [ -0.0018938300000000, -0.0006111000000000, 0.0002217500000000 ] - [ -0.0004090100000000, -0.0001504900000000, 0.0000665000000000 ] - [ 0.0000952300000000, -0.0004139600000000, -0.0004719300000000 ] - [ -0.0013772300000000, -0.0036262100000000, -0.0038863700000000 ] - [ 0.0014627000000000, -0.0024578400000000, 0.0017296500000000 ] - [ 0.0000010600000000, -0.0000207200000000, 0.0003772300000000 ] - [ -0.0006929100000000, -0.0008007000000000, 0.0001749600000000 ] - [ 0.0004165400000000, -0.0004517500000000, -0.0002507900000000 ] - [ 0.0001632200000000, 0.0000750200000000, -0.0001064200000000 ] - [ 0.0005127400000000, -0.0006563200000000, 0.0001218000000000 ] - [ 0.0005378600000000, -0.0012788500000000, -0.0005439600000000 ] - [ -0.0002598100000000, -0.0006299400000000, -0.0007372800000000 ] - [ 0.0003053000000000, -0.0003957700000000, -0.0000397400000000 ] - [ -0.0009488400000000, 0.0005285400000000, -0.0002681600000000 ] - [ -0.0004429300000000, -0.0002414200000000, -0.0002015800000000 ] - [ -0.0004402900000000, -0.0004899300000000, 0.0006043300000000 ] - [ -0.0004434900000000, -0.0001685900000000, -0.0000516200000000 ] - [ 0.0000649500000000, 0.0004108500000000, 0.0004808600000000 ] - [ -0.0004860400000000, -0.0002159500000000, -0.0002563300000000 ] - [ -0.0000326800000000, -0.0007064300000000, 0.0008213800000000 ] - [ -0.0010905300000000, -0.0007013000000000, 0.0000878800000000 ] - [ 0.0000504500000000, -0.0001759900000000, -0.0002667800000000 ] - [ -0.0000322500000000, -0.0008185800000000, -0.0005623200000000 ] - [ -0.0000323500000000, -0.0021759800000000, 0.0002565800000000 ] - [ 0.0000471000000000, -0.0019114400000000, 0.0008269900000000 ] - [ -0.0002073800000000, -0.0004349300000000, 0.0007807500000000 ] - [ 0.0004235300000000, 0.0004252900000000, 0.0008616200000000 ] - [ -0.0001906300000000, 0.0001119300000000, -0.0004690500000000 ] - [ -0.0014188700000000, -0.0011157700000000, -0.0020666500000000 ] - [ -0.0099233000000000, -0.0441708500000000, 0.0043030300000000 ] - [ -0.0017055400000000, -0.0008320600000000, 0.0016909100000000 ] - [ -0.0064459900000000, -0.0065467400000000, -0.0157789200000000 ] - [ 0.0004997100000000, -0.0003277500000000, -0.0004458900000000 ] - [ 0.0011275500000000, 0.0001891800000000, -0.0028818900000000 ] - [ -0.0015728800000000, 0.0019157600000000, -0.0004798000000000 ] - [ 0.0000299300000000, 0.0005207500000000, 0.0003876000000000 ] - [ 0.0044337200000000, 0.0048351400000000, 0.0011604800000000 ] - [ 0.0027070200000000, -0.0054096500000000, -0.0007266400000000 ] - [ -0.0001243800000000, -0.0011599700000000, 0.0002606900000000 ] - [ -0.0043372900000000, -0.0002601600000000, 0.0001576100000000 ] - [ -0.0009746600000000, 0.0000000400000000, -0.0012510600000000 ] - [ -0.0000074600000000, -0.0008057400000000, -0.0002852800000000 ] - [ 0.0011155800000000, -0.0004647900000000, -0.0005317900000000 ] - [ 0.0007742300000000, -0.0010550000000000, -0.0020419600000000 ] - [ 0.0005401600000000, 0.0017912700000000, -0.0009037900000000 ] - [ 0.0003183800000000, 0.0000355200000000, 0.0000675700000000 ] - [ 0.0002019000000000, 0.0003716800000000, -0.0002286200000000 ] - [ 0.0004613800000000, -0.0003124200000000, -0.0004877800000000 ] - [ -0.0002620700000000, 0.0001777800000000, -0.0007798700000000 ]- atom: 81 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0002267800000000, -0.0000934200000000, -0.0002498400000000 ] - [ 0.0010719200000000, -0.0001925900000000, -0.0001667700000000 ] - [ 0.0000970200000000, 0.0000987400000000, 0.0000094800000000 ] - [ -0.0000572400000000, 0.0000402800000000, -0.0000554000000000 ] - [ 0.0000749200000000, -0.0000777800000000, -0.0001364900000000 ] - [ -0.0000354900000000, 0.0003517800000000, -0.0003078300000000 ] - [ 0.0015153000000000, -0.0004275000000000, 0.0007864300000000 ] - [ -0.0001748000000000, -0.0000612200000000, -0.0003154200000000 ] - [ -0.0001427200000000, -0.0000885100000000, 0.0001521200000000 ] - [ -0.0000027100000000, 0.0000047800000000, -0.0000333800000000 ] - [ 0.0000161700000000, 0.0000962100000000, -0.0011517800000000 ] - [ -0.0005385900000000, -0.0007417800000000, 0.0025454700000000 ] - [ -0.0000829800000000, 0.0001418500000000, 0.0000837700000000 ] - [ 0.0002194300000000, -0.0000259000000000, 0.0001015000000000 ] - [ 0.0000913400000000, 0.0000065200000000, -0.0000767800000000 ] - [ -0.0002713300000000, -0.0000087700000000, 0.0001222100000000 ] - [ -0.0004877200000000, -0.0002003100000000, -0.0013346200000000 ] - [ 0.0003785900000000, -0.0008931300000000, 0.0002473600000000 ] - [ 0.0003254800000000, -0.0000212000000000, -0.0006093100000000 ] - [ 0.0002816700000000, 0.0003106500000000, -0.0003213300000000 ] - [ 0.0000193800000000, -0.0000164800000000, 0.0001552300000000 ] - [ 0.0000648000000000, 0.0001475700000000, 0.0004803300000000 ] - [ -0.0013665400000000, -0.0012262900000000, -0.0010644000000000 ] - [ 0.0000656400000000, 0.0000528400000000, -0.0004023500000000 ] - [ 0.0001278100000000, 0.0001374900000000, 0.0004319000000000 ] - [ 0.0002335300000000, -0.0001741300000000, -0.0002676900000000 ] - [ -0.0000274700000000, 0.0002113300000000, 0.0009739500000000 ] - [ 0.0014564200000000, 0.0030739200000000, -0.0029042800000000 ] - [ -0.0006958200000000, 0.0004606900000000, -0.0004192900000000 ] - [ 0.0000040600000000, 0.0000899700000000, -0.0004660300000000 ] - [ -0.0000741300000000, -0.0000103700000000, 0.0001068000000000 ] - [ -0.0107070800000000, -0.0024693300000000, 0.0185504900000000 ] - [ 0.0005687800000000, 0.0004269900000000, -0.0001508700000000 ] - [ -0.0012019600000000, 0.0010774800000000, -0.0002926500000000 ] - [ 0.0005657800000000, -0.0001902700000000, -0.0008652500000000 ] - [ 0.0000252300000000, 0.0004993600000000, 0.0000419600000000 ] - [ -0.0000174000000000, 0.0005479900000000, 0.0001659300000000 ] - [ -0.0007791400000000, -0.0025141900000000, -0.0023210200000000 ] - [ -0.0002084300000000, -0.0001690800000000, 0.0004251600000000 ] - [ -0.0012657400000000, 0.0000731000000000, -0.0006213000000000 ] - [ 0.0004192800000000, 0.0012665900000000, -0.0038534600000000 ] - [ 0.0002198600000000, 0.0002009700000000, 0.0014760300000000 ] - [ 0.0004952200000000, -0.0005522400000000, -0.0004653900000000 ] - [ 0.0003874400000000, -0.0003439700000000, -0.0000260700000000 ] - [ 0.0003498200000000, -0.0003710900000000, -0.0008899300000000 ] - [ 0.0010555200000000, 0.0006801100000000, 0.0002446300000000 ] - [ 0.0002341200000000, 0.0009577200000000, 0.0044320300000000 ] - [ 0.0008989200000000, 0.0009202700000000, -0.0013670300000000 ] - [ 0.0006929900000000, -0.0001791900000000, -0.0002708100000000 ] - [ 0.0017663000000000, -0.0005815100000000, -0.0009418300000000 ] - [ -0.0000675600000000, 0.0000688700000000, 0.0001049000000000 ] - [ -0.0002110000000000, 0.0001167100000000, -0.0010154800000000 ] - [ -0.0001683200000000, -0.0011084100000000, -0.0005953400000000 ] - [ -0.0011015900000000, -0.0002846200000000, -0.0007102100000000 ] - [ 0.0001618300000000, -0.0002278000000000, -0.0007529500000000 ] - [ 0.0010700900000000, -0.0013933800000000, -0.0010523200000000 ] - [ -0.0013619900000000, -0.0031852400000000, 0.0033109400000000 ] - [ -0.0004156000000000, 0.0002543000000000, -0.0007703300000000 ] - [ 0.0009238200000000, 0.0019712000000000, -0.0048634900000000 ] - [ -0.0001882000000000, 0.0001941400000000, 0.0011252300000000 ] - [ 0.0000820600000000, 0.0002746800000000, 0.0012089900000000 ] - [ -0.0003369200000000, -0.0002067000000000, 0.0004808500000000 ] - [ 0.0018941800000000, -0.0075754900000000, -0.0090088800000000 ] - [ -0.0007085600000000, -0.0002985100000000, 0.0003009800000000 ] - [ 0.0000962300000000, 0.0006980900000000, -0.0001646100000000 ] - [ -0.0002555500000000, 0.0004829900000000, -0.0007539800000000 ] - [ 0.0079405800000000, 0.0197567800000000, 0.0594788300000000 ] - [ 0.0006290900000000, -0.0002850600000000, -0.0017136100000000 ] - [ 0.0006844000000000, -0.0013540800000000, 0.0010261300000000 ] - [ 0.0003024500000000, 0.0007134600000000, -0.0021712400000000 ] - [ -0.0000759800000000, 0.0006109200000000, -0.0000430200000000 ] - [ 0.0001200600000000, 0.0009786200000000, -0.0005867500000000 ] - [ 0.0003038100000000, -0.0005697700000000, -0.0002234600000000 ] - [ 0.0007928300000000, 0.0002270100000000, 0.0005443100000000 ] - [ -0.0005893400000000, 0.0001895700000000, -0.0009797800000000 ] - [ 0.0009448800000000, 0.0046112800000000, 0.0002246700000000 ] - [ 0.0000695000000000, -0.0005690300000000, 0.0007063400000000 ] - [ -0.0006815700000000, -0.0005070800000000, 0.0007821900000000 ] - [ 0.0008812400000000, 0.0009498800000000, 0.0010490200000000 ] - [ 0.0004457200000000, -0.0010446800000000, 0.0000160100000000 ] - [ 0.0062024000000000, -0.0124626000000000, -0.0800471700000000 ] - [ -0.0002017600000000, 0.0012030600000000, 0.0006283400000000 ] - [ -0.0002636300000000, 0.0004125100000000, 0.0008920600000000 ] - [ 0.0003139200000000, 0.0003980100000000, 0.0016497500000000 ] - [ -0.0001681000000000, 0.0004420700000000, 0.0003594600000000 ] - [ -0.0030754000000000, 0.0016544200000000, -0.0030234000000000 ] - [ -0.0006907600000000, 0.0008949200000000, 0.0006614100000000 ] - [ -0.0001630600000000, 0.0001179500000000, -0.0015072400000000 ] - [ -0.0003304100000000, -0.0004258800000000, -0.0000756900000000 ] - [ -0.0000619900000000, 0.0001846100000000, 0.0006661700000000 ] - [ -0.0000160200000000, 0.0003294100000000, -0.0000125300000000 ] - [ -0.0001819000000000, -0.0000979800000000, 0.0006757300000000 ] - [ -0.0003678400000000, -0.0002893500000000, 0.0003296400000000 ] - [ 0.0003306500000000, -0.0003268400000000, 0.0001049900000000 ] - [ 0.0003662700000000, -0.0004319100000000, 0.0002823700000000 ] - [ -0.0003383700000000, 0.0000626900000000, 0.0006551100000000 ] - [ 0.0000767800000000, 0.0000516700000000, 0.0002609000000000 ] - [ 0.0000429000000000, -0.0002622600000000, -0.0003986400000000 ] - [ 0.0002827000000000, -0.0000848400000000, 0.0008545600000000 ] - [ -0.0001254800000000, 0.0004168200000000, -0.0008212900000000 ] - [ -0.0003552100000000, 0.0002695800000000, 0.0004674000000000 ] - [ 0.0003968600000000, -0.0002559800000000, 0.0004660900000000 ] - [ -0.0001577900000000, -0.0000642400000000, -0.0004191100000000 ] - [ -0.0009548800000000, -0.0003846900000000, 0.0005996100000000 ] - [ -0.0004924600000000, 0.0000340500000000, 0.0015997400000000 ] - [ 0.0000924300000000, 0.0001828200000000, -0.0002538600000000 ] - [ 0.0002277200000000, 0.0001223900000000, 0.0009481700000000 ] - [ 0.0001271200000000, 0.0001915300000000, -0.0003235800000000 ] - [ 0.0005510100000000, -0.0003139800000000, 0.0008529600000000 ] - [ -0.0009151600000000, -0.0006444000000000, -0.0001694200000000 ] - [ 0.0002992700000000, 0.0001321600000000, -0.0002881400000000 ] - [ 0.0010920800000000, -0.0085280800000000, 0.0062478600000000 ] - [ 0.0009493500000000, 0.0002380400000000, 0.0002560900000000 ] - [ -0.0003650400000000, 0.0003721700000000, 0.0004032600000000 ] - [ -0.0003484400000000, -0.0003105100000000, -0.0003049700000000 ] - [ 0.0000638900000000, -0.0004322500000000, -0.0003037700000000 ] - [ -0.0002800300000000, -0.0001526400000000, -0.0000882000000000 ] - [ -0.0001642800000000, 0.0000552200000000, 0.0003382100000000 ] - [ -0.0004876100000000, 0.0003253800000000, -0.0000430700000000 ] - [ -0.0003771600000000, 0.0001372500000000, -0.0000540400000000 ] - [ -0.0000806000000000, 0.0000694000000000, 0.0005847500000000 ] - [ -0.0013602500000000, 0.0001652300000000, 0.0002876200000000 ] - [ 0.0001330000000000, -0.0003654500000000, 0.0008619300000000 ] - [ -0.0006555100000000, -0.0007068400000000, -0.0000461900000000 ] - [ -0.0001504600000000, 0.0007093800000000, -0.0003977900000000 ] - [ 0.0006021000000000, -0.0004022200000000, -0.0004578100000000 ] - [ 0.0001992000000000, -0.0002215900000000, 0.0005248800000000 ] - [ 0.0002685200000000, -0.0003253200000000, 0.0005734700000000 ] - [ -0.0003053700000000, -0.0002002900000000, 0.0014453200000000 ] - [ 0.0002727700000000, -0.0003796100000000, 0.0000907600000000 ] - [ -0.0002659000000000, -0.0001993600000000, -0.0005175600000000 ] - [ 0.0005401500000000, 0.0000075300000000, 0.0005085600000000 ] - [ -0.0002869900000000, 0.0006154300000000, 0.0000460800000000 ] - [ 0.0002250800000000, -0.0003356900000000, 0.0000812600000000 ] - [ 0.0001944500000000, -0.0000335800000000, -0.0004258800000000 ] - [ -0.0003995800000000, 0.0005638500000000, 0.0005269400000000 ] - [ 0.0001624800000000, -0.0003301600000000, 0.0002594000000000 ] - [ 0.0001092200000000, -0.0005615300000000, -0.0001228900000000 ] - [ 0.0001582300000000, 0.0002733500000000, 0.0000648200000000 ] - [ 0.0001206900000000, -0.0002478100000000, 0.0004409300000000 ] - [ 0.0001000400000000, 0.0002761300000000, -0.0001901600000000 ] - [ -0.0003763300000000, -0.0001268100000000, 0.0022677700000000 ] - [ -0.0004911700000000, 0.0000583300000000, 0.0004998100000000 ] - [ -0.0002397900000000, 0.0004167300000000, 0.0002373100000000 ] - [ -0.0002605600000000, -0.0002156500000000, 0.0002342600000000 ] - [ -0.0001262300000000, -0.0002768800000000, 0.0007218900000000 ] - [ -0.0003217200000000, -0.0006201900000000, 0.0001231500000000 ] - [ 0.0004410200000000, 0.0001634200000000, -0.0000115400000000 ] - [ 0.0005121000000000, 0.0004903000000000, 0.0002772000000000 ] - [ -0.0004934700000000, 0.0008098400000000, -0.0008576900000000 ] - [ -0.0004668100000000, 0.0006491400000000, 0.0008658500000000 ] - [ -0.0003648300000000, -0.0002811200000000, -0.0003694200000000 ] - [ -0.0002368400000000, -0.0002789900000000, -0.0002116500000000 ] - [ 0.0000154100000000, 0.0007132100000000, 0.0001956600000000 ] - [ -0.0005623800000000, -0.0003610500000000, -0.0002653800000000 ] - [ -0.0003312600000000, 0.0003184200000000, 0.0000290400000000 ] - [ 0.0004287500000000, 0.0000260400000000, -0.0003388600000000 ] - [ 0.0003337100000000, 0.0003479600000000, 0.0000751600000000 ] - [ -0.0004464700000000, -0.0001508500000000, -0.0002293900000000 ] - [ -0.0001616700000000, -0.0000397000000000, -0.0001651000000000 ] - [ -0.0176223300000000, -0.0141659200000000, -0.0049679800000000 ] - [ 0.0002893100000000, -0.0000220000000000, 0.0028010000000000 ] - [ 0.0007954300000000, -0.0007954000000000, -0.0007685000000000 ] - [ -0.0002955600000000, 0.0001407700000000, 0.0001062400000000 ] - [ -0.0002898200000000, -0.0003665200000000, -0.0003672200000000 ] - [ 0.0005890100000000, -0.0003950700000000, 0.0007572400000000 ] - [ 0.0005534700000000, -0.0005211800000000, -0.0000236100000000 ] - [ -0.0015835200000000, -0.0012562100000000, -0.0000098300000000 ] - [ 0.0000748400000000, 0.0000651100000000, 0.0001427400000000 ] - [ 0.0001648600000000, -0.0002887000000000, -0.0008022600000000 ] - [ -0.0001895800000000, 0.0001408000000000, 0.0002666400000000 ] - [ 0.0001835600000000, 0.0002633800000000, -0.0001415600000000 ] - [ -0.0005243500000000, 0.0003904800000000, 0.0000006100000000 ] - [ -0.0005414400000000, -0.0010914100000000, -0.0029190300000000 ] - [ 0.0008094800000000, 0.0000816900000000, 0.0004588700000000 ] - [ -0.0013761100000000, -0.0005461900000000, 0.0000747700000000 ] - [ -0.0004425500000000, 0.0001376800000000, 0.0001163500000000 ] - [ 0.0003628700000000, 0.0004603900000000, -0.0002540000000000 ] - [ -0.0005651000000000, -0.0007139200000000, -0.0027811700000000 ] - [ 0.0011510800000000, -0.0016360000000000, 0.0009549300000000 ] - [ 0.0000946000000000, -0.0001807600000000, 0.0002675500000000 ] - [ -0.0005740300000000, -0.0005440700000000, 0.0000916800000000 ] - [ 0.0004833400000000, 0.0002530700000000, -0.0000345800000000 ] - [ 0.0002575300000000, 0.0000887600000000, -0.0000550100000000 ] - [ 0.0007848500000000, 0.0002774600000000, -0.0000311000000000 ] - [ -0.0002830700000000, 0.0011073000000000, -0.0003997900000000 ] - [ -0.0003457700000000, 0.0002769500000000, 0.0005286000000000 ] - [ 0.0001745600000000, -0.0004775200000000, 0.0001955100000000 ] - [ -0.0000379700000000, -0.0004431400000000, -0.0007425200000000 ] - [ -0.0002827100000000, -0.0001035800000000, -0.0005178100000000 ] - [ -0.0003752500000000, -0.0000231500000000, 0.0005488200000000 ] - [ -0.0004283200000000, 0.0003262800000000, -0.0000022900000000 ] - [ -0.0001324100000000, 0.0002392100000000, 0.0001854500000000 ] - [ -0.0008348200000000, 0.0000658400000000, -0.0003431800000000 ] - [ 0.0000011800000000, -0.0002632000000000, 0.0005988800000000 ] - [ -0.0009168100000000, -0.0007109800000000, -0.0000480400000000 ] - [ -0.0000672000000000, 0.0007344900000000, -0.0000219900000000 ] - [ -0.0001349900000000, -0.0001805200000000, -0.0003411400000000 ] - [ 0.0004154700000000, 0.0001342200000000, 0.0000374300000000 ] - [ 0.0003886900000000, -0.0001154000000000, -0.0001354600000000 ] - [ -0.0001620200000000, 0.0000040800000000, 0.0001569100000000 ] - [ 0.0002813500000000, 0.0000662700000000, 0.0012003000000000 ] - [ -0.0002764800000000, -0.0002643800000000, 0.0002185400000000 ] - [ 0.0002833700000000, -0.0001978100000000, -0.0004527700000000 ] - [ -0.0008119800000000, -0.0089091500000000, -0.0067465800000000 ] - [ -0.0007843300000000, -0.0006550300000000, 0.0009240500000000 ] - [ 0.0138437900000000, 0.0220928700000000, 0.0114051600000000 ] - [ 0.0001720200000000, 0.0002644900000000, -0.0003159100000000 ] - [ 0.0018530400000000, 0.0007893500000000, 0.0034334200000000 ] - [ 0.0003953900000000, -0.0006178000000000, -0.0012540100000000 ] - [ -0.0000973000000000, 0.0002708600000000, 0.0003025700000000 ] - [ 0.0005010700000000, 0.0053651400000000, 0.0077858300000000 ] - [ 0.0008074600000000, -0.0012586800000000, -0.0008274000000000 ] - [ -0.0001298600000000, -0.0006726000000000, 0.0002232400000000 ] - [ -0.0007024800000000, 0.0000112500000000, -0.0000195200000000 ] - [ 0.0002046000000000, 0.0013507300000000, -0.0002131500000000 ] - [ -0.0003216700000000, -0.0002173300000000, -0.0004700500000000 ] - [ 0.0002290200000000, -0.0002166700000000, -0.0001022300000000 ] - [ -0.0002405000000000, 0.0043040000000000, -0.0002954100000000 ] - [ 0.0004951100000000, 0.0005883100000000, -0.0011966600000000 ] - [ 0.0003045700000000, 0.0005423500000000, -0.0001194700000000 ] - [ 0.0002240400000000, 0.0004439400000000, -0.0000268700000000 ] - [ 0.0003100400000000, 0.0001036900000000, -0.0002245800000000 ] - [ 0.0003867300000000, -0.0000378200000000, 0.0007689500000000 ]- atom: 81 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0003494700000000, 0.0002153700000000, 0.0001303200000000 ] - [ -0.0011877900000000, 0.0003152300000000, 0.0002878700000000 ] - [ 0.0000250300000000, 0.0000232300000000, -0.0001292500000000 ] - [ -0.0000628100000000, 0.0000816900000000, 0.0001747600000000 ] - [ -0.0001959800000000, -0.0000456100000000, 0.0000159700000000 ] - [ 0.0001552200000000, -0.0004719800000000, 0.0004230400000000 ] - [ -0.0013812100000000, 0.0003019700000000, -0.0006631200000000 ] - [ 0.0000517500000000, -0.0000606700000000, 0.0001963600000000 ] - [ 0.0002637700000000, 0.0002091100000000, -0.0002700600000000 ] - [ -0.0001190600000000, 0.0001193300000000, 0.0001532100000000 ] - [ 0.0001033800000000, 0.0000239500000000, 0.0010301200000000 ] - [ 0.0004104900000000, 0.0008701000000000, -0.0024163100000000 ] - [ -0.0000398800000000, -0.0002619900000000, -0.0002023400000000 ] - [ -0.0000965600000000, -0.0000950800000000, 0.0000188300000000 ] - [ 0.0000314700000000, -0.0001274700000000, 0.0001971300000000 ] - [ 0.0001464100000000, -0.0001134200000000, -0.0002418000000000 ] - [ 0.0004168300000000, 0.0001288300000000, 0.0014095700000000 ] - [ -0.0003142900000000, 0.0008237400000000, -0.0003242200000000 ] - [ -0.0002531800000000, 0.0000912600000000, 0.0006832200000000 ] - [ -0.0003516200000000, -0.0002400100000000, 0.0002472900000000 ] - [ 0.0000575500000000, 0.0000854200000000, -0.0000813000000000 ] - [ -0.0001370500000000, -0.0000781900000000, -0.0005540300000000 ] - [ 0.0012898800000000, 0.0011498000000000, 0.0011373600000000 ] - [ 0.0000073900000000, -0.0001213800000000, 0.0003231700000000 ] - [ -0.0001966700000000, -0.0002052800000000, -0.0003524100000000 ] - [ -0.0001586400000000, 0.0001014600000000, 0.0001940900000000 ] - [ 0.0000957700000000, -0.0001305300000000, -0.0008910700000000 ] - [ -0.0015188600000000, -0.0029869400000000, 0.0027926400000000 ] - [ 0.0007637100000000, -0.0003835700000000, 0.0004941300000000 ] - [ -0.0000795000000000, -0.0000188100000000, 0.0003902700000000 ] - [ 0.0000081700000000, -0.0000591200000000, -0.0000319000000000 ] - [ 0.0099801200000000, 0.0020970000000000, -0.0180902500000000 ] - [ 0.0001972400000000, 0.0007531100000000, 0.0004398400000000 ] - [ 0.0009107700000000, -0.0003160700000000, -0.0008807000000000 ] - [ -0.0002720600000000, -0.0005710800000000, -0.0003129000000000 ] - [ 0.0002600500000000, 0.0002587500000000, 0.0011361800000000 ] - [ 0.0007740400000000, -0.0002644200000000, 0.0010099500000000 ] - [ -0.0004050500000000, 0.0022343600000000, 0.0030887100000000 ] - [ -0.0005418000000000, -0.0001120800000000, 0.0007551200000000 ] - [ 0.0000840900000000, -0.0008322900000000, 0.0009079500000000 ] - [ -0.0007187600000000, -0.0001124200000000, 0.0030972400000000 ] - [ -0.0009824500000000, 0.0009752300000000, -0.0017614900000000 ] - [ 0.0002657900000000, -0.0006210500000000, 0.0001788800000000 ] - [ 0.0003686900000000, 0.0000622100000000, -0.0011505800000000 ] - [ 0.0008252600000000, 0.0000822100000000, 0.0001263600000000 ] - [ 0.0001306700000000, 0.0000819500000000, 0.0000446900000000 ] - [ 0.0000625100000000, 0.0002136800000000, -0.0036803700000000 ] - [ -0.0020667100000000, -0.0001697200000000, 0.0010846900000000 ] - [ 0.0004862800000000, -0.0005793700000000, -0.0000138000000000 ] - [ -0.0005946600000000, 0.0008507500000000, 0.0016859200000000 ] - [ -0.0011054200000000, 0.0002135000000000, -0.0008647400000000 ] - [ -0.0005444200000000, 0.0001710300000000, -0.0001626500000000 ] - [ -0.0001248300000000, -0.0000728300000000, 0.0013493100000000 ] - [ 0.0003469000000000, -0.0008994800000000, 0.0009940600000000 ] - [ -0.0004438400000000, -0.0005275700000000, 0.0019357300000000 ] - [ -0.0007921300000000, 0.0002140100000000, 0.0002910700000000 ] - [ 0.0021062400000000, 0.0043592000000000, -0.0029971400000000 ] - [ 0.0001289700000000, 0.0005068700000000, -0.0004107500000000 ] - [ -0.0006317000000000, -0.0027243400000000, 0.0036723900000000 ] - [ 0.0004717100000000, 0.0005673900000000, 0.0000527600000000 ] - [ 0.0006777000000000, 0.0000133600000000, -0.0000323100000000 ] - [ -0.0008348400000000, -0.0000801900000000, 0.0002801500000000 ] - [ -0.0027127100000000, 0.0072614600000000, 0.0102163800000000 ] - [ -0.0004686900000000, -0.0004571600000000, -0.0000166400000000 ] - [ -0.0003781800000000, 0.0004780800000000, -0.0005951700000000 ] - [ -0.0004975800000000, 0.0006924500000000, 0.0004666200000000 ] - [ -0.0088034300000000, -0.0230084500000000, -0.0601725000000000 ] - [ 0.0001309700000000, -0.0000006400000000, 0.0005356400000000 ] - [ 0.0004965200000000, 0.0010721700000000, -0.0017942500000000 ] - [ 0.0008715400000000, 0.0000485000000000, 0.0024527300000000 ] - [ 0.0003544900000000, 0.0005681000000000, 0.0007998400000000 ] - [ -0.0012947200000000, -0.0002166600000000, 0.0002943600000000 ] - [ 0.0008690900000000, -0.0001854200000000, -0.0000641800000000 ] - [ 0.0003886600000000, 0.0000583500000000, 0.0002166500000000 ] - [ -0.0005921400000000, 0.0000973800000000, 0.0002202800000000 ] - [ -0.0016879100000000, -0.0042389500000000, -0.0013914200000000 ] - [ -0.0003501200000000, -0.0006090900000000, 0.0000503100000000 ] - [ -0.0000793800000000, -0.0006672900000000, -0.0004927600000000 ] - [ -0.0011562500000000, -0.0016958900000000, 0.0001337000000000 ] - [ -0.0001572200000000, -0.0001324300000000, -0.0007704100000000 ] - [ -0.0045438500000000, 0.0142312100000000, 0.0787569100000000 ] - [ 0.0003194000000000, 0.0001115200000000, -0.0001207000000000 ] - [ -0.0003718400000000, -0.0000312400000000, -0.0004062500000000 ] - [ -0.0007481500000000, 0.0003437800000000, -0.0012296700000000 ] - [ 0.0014795300000000, -0.0005592400000000, -0.0008691300000000 ] - [ 0.0035001200000000, -0.0009099300000000, 0.0026073000000000 ] - [ -0.0000440900000000, -0.0013383900000000, -0.0010774400000000 ] - [ -0.0003419200000000, -0.0000017800000000, 0.0001971000000000 ] - [ -0.0000788000000000, -0.0003132900000000, -0.0003642300000000 ] - [ 0.0001755100000000, 0.0003216500000000, 0.0006437500000000 ] - [ 0.0003938700000000, 0.0003071300000000, -0.0004740900000000 ] - [ -0.0005558100000000, 0.0005134400000000, -0.0002394200000000 ] - [ -0.0000661900000000, -0.0004492100000000, -0.0007445100000000 ] - [ 0.0000522200000000, -0.0001642900000000, 0.0005294200000000 ] - [ 0.0000509100000000, -0.0003070600000000, 0.0001518700000000 ] - [ -0.0001054800000000, 0.0003433100000000, 0.0000843900000000 ] - [ 0.0005635600000000, -0.0005504800000000, 0.0001266100000000 ] - [ 0.0000740100000000, -0.0002420700000000, -0.0009105300000000 ] - [ -0.0007776900000000, 0.0004704200000000, -0.0002146600000000 ] - [ 0.0005075400000000, 0.0000788800000000, 0.0001816200000000 ] - [ -0.0001395500000000, 0.0003691300000000, -0.0000828100000000 ] - [ 0.0000795000000000, -0.0003802100000000, -0.0000931200000000 ] - [ 0.0014603600000000, 0.0001810100000000, 0.0009230800000000 ] - [ -0.0003545400000000, -0.0001269000000000, -0.0004833200000000 ] - [ -0.0001375100000000, 0.0004621100000000, -0.0012131100000000 ] - [ 0.0003956000000000, 0.0001975800000000, -0.0003823000000000 ] - [ 0.0002806600000000, -0.0000076400000000, 0.0003607600000000 ] - [ 0.0003066100000000, 0.0002209900000000, -0.0004159600000000 ] - [ -0.0000462200000000, -0.0000798400000000, -0.0002194000000000 ] - [ 0.0001897900000000, 0.0002330400000000, -0.0002847800000000 ] - [ 0.0004408200000000, 0.0002910800000000, -0.0001418400000000 ] - [ -0.0004448000000000, 0.0087884900000000, -0.0066664300000000 ] - [ 0.0003591200000000, 0.0002708300000000, -0.0001398000000000 ] - [ -0.0000163400000000, 0.0001199500000000, 0.0002359500000000 ] - [ -0.0002935200000000, -0.0001873500000000, -0.0000796700000000 ] - [ 0.0004424300000000, -0.0008766900000000, 0.0001887600000000 ] - [ -0.0003570600000000, -0.0002281200000000, -0.0004005700000000 ] - [ 0.0000469000000000, 0.0004558200000000, -0.0016473200000000 ] - [ -0.0002535700000000, 0.0001098800000000, 0.0004625300000000 ] - [ -0.0009280200000000, 0.0003714300000000, -0.0000617300000000 ] - [ -0.0003219800000000, 0.0003748200000000, 0.0001570400000000 ] - [ 0.0000589800000000, -0.0000446000000000, -0.0007948600000000 ] - [ -0.0002482300000000, -0.0001472300000000, 0.0004407100000000 ] - [ 0.0001701900000000, 0.0003310200000000, -0.0005885600000000 ] - [ 0.0000331700000000, 0.0006009700000000, -0.0001051200000000 ] - [ -0.0010311700000000, -0.0000224400000000, -0.0002831100000000 ] - [ 0.0002386000000000, -0.0001938300000000, 0.0002125700000000 ] - [ 0.0003700800000000, -0.0000568200000000, -0.0000789400000000 ] - [ -0.0002079900000000, 0.0000838300000000, -0.0001344100000000 ] - [ 0.0004593300000000, -0.0000450500000000, 0.0003422800000000 ] - [ -0.0001497000000000, -0.0002411200000000, -0.0002194300000000 ] - [ 0.0001993600000000, -0.0004328500000000, -0.0000751500000000 ] - [ -0.0002227700000000, 0.0006897900000000, -0.0001609200000000 ] - [ 0.0010721500000000, -0.0001675200000000, -0.0001942900000000 ] - [ 0.0003111400000000, -0.0000826200000000, -0.0008763700000000 ] - [ 0.0009016500000000, 0.0000806700000000, -0.0009101200000000 ] - [ 0.0002054300000000, -0.0003086600000000, 0.0002166700000000 ] - [ 0.0000084500000000, -0.0007508900000000, -0.0003871200000000 ] - [ -0.0005605500000000, 0.0003632800000000, 0.0004546000000000 ] - [ 0.0002947300000000, -0.0001905500000000, 0.0002994500000000 ] - [ 0.0003064500000000, 0.0001648000000000, -0.0005501200000000 ] - [ 0.0002668200000000, -0.0011726900000000, -0.0017694900000000 ] - [ -0.0008077300000000, -0.0001730400000000, 0.0000122300000000 ] - [ -0.0001944700000000, 0.0003209300000000, 0.0001885100000000 ] - [ -0.0001319200000000, -0.0004214400000000, -0.0007352900000000 ] - [ 0.0005699200000000, -0.0004614600000000, -0.0003148600000000 ] - [ -0.0001869500000000, -0.0006891000000000, -0.0000061300000000 ] - [ 0.0001934900000000, 0.0003319000000000, -0.0003765100000000 ] - [ -0.0000060300000000, 0.0008179400000000, -0.0001587800000000 ] - [ 0.0009068400000000, -0.0000712100000000, 0.0004196100000000 ] - [ 0.0012000400000000, -0.0001983300000000, -0.0012594400000000 ] - [ -0.0001324100000000, -0.0003558300000000, -0.0000181600000000 ] - [ -0.0001500600000000, -0.0002175400000000, -0.0004237500000000 ] - [ 0.0001000600000000, 0.0005946200000000, 0.0003162900000000 ] - [ -0.0000762500000000, 0.0007410100000000, 0.0007527400000000 ] - [ -0.0001044600000000, 0.0004160700000000, 0.0003935400000000 ] - [ 0.0008711800000000, -0.0001413000000000, -0.0001750400000000 ] - [ 0.0001102500000000, 0.0003876900000000, -0.0004793800000000 ] - [ -0.0002915200000000, -0.0002872500000000, -0.0001860500000000 ] - [ -0.0003461200000000, 0.0001547200000000, -0.0011348800000000 ] - [ 0.0173339200000000, 0.0134075700000000, 0.0046092900000000 ] - [ -0.0001749400000000, 0.0005291700000000, -0.0014887300000000 ] - [ -0.0004071300000000, 0.0014190800000000, 0.0002720000000000 ] - [ -0.0004428600000000, 0.0002761300000000, 0.0003284700000000 ] - [ -0.0001524400000000, -0.0003732300000000, -0.0000388000000000 ] - [ -0.0002086900000000, -0.0000907700000000, -0.0001226100000000 ] - [ -0.0001341400000000, -0.0002151900000000, 0.0004613100000000 ] - [ 0.0011299600000000, 0.0016515300000000, 0.0007467000000000 ] - [ 0.0005606900000000, -0.0005706800000000, 0.0002502400000000 ] - [ -0.0000475700000000, -0.0002253900000000, -0.0005050000000000 ] - [ -0.0002966900000000, 0.0002354900000000, 0.0003730800000000 ] - [ 0.0002068100000000, 0.0002405700000000, -0.0004962100000000 ] - [ 0.0000258200000000, 0.0002510700000000, 0.0003838300000000 ] - [ 0.0010499600000000, 0.0004458400000000, 0.0033169400000000 ] - [ 0.0004994000000000, 0.0000323600000000, 0.0000538900000000 ] - [ 0.0000614300000000, 0.0000392200000000, 0.0000409200000000 ] - [ -0.0001992200000000, 0.0003629000000000, 0.0002703300000000 ] - [ 0.0001354000000000, -0.0000776200000000, -0.0003835800000000 ] - [ 0.0010689400000000, 0.0008192100000000, 0.0040589500000000 ] - [ -0.0007001000000000, 0.0020312600000000, -0.0016807900000000 ] - [ 0.0003925300000000, -0.0001978300000000, 0.0003732400000000 ] - [ -0.0001663200000000, 0.0001148000000000, -0.0005187300000000 ] - [ 0.0002571600000000, 0.0001630600000000, -0.0003994300000000 ] - [ 0.0003801300000000, 0.0003027300000000, -0.0004479700000000 ] - [ 0.0005179800000000, 0.0002325100000000, 0.0001480000000000 ] - [ -0.0000912600000000, -0.0006260800000000, 0.0010294400000000 ] - [ -0.0002900000000000, -0.0007639400000000, -0.0009067400000000 ] - [ 0.0003389100000000, -0.0008260400000000, -0.0003098200000000 ] - [ -0.0006017000000000, 0.0000642400000000, 0.0002504200000000 ] - [ 0.0001644900000000, 0.0006053400000000, -0.0007903500000000 ] - [ -0.0003573100000000, 0.0004605000000000, -0.0001301400000000 ] - [ -0.0008755100000000, 0.0001819000000000, -0.0001130700000000 ] - [ -0.0002824900000000, 0.0001948400000000, 0.0005524600000000 ] - [ -0.0004754500000000, 0.0000511600000000, -0.0001665300000000 ] - [ -0.0001186400000000, -0.0002512800000000, 0.0007096200000000 ] - [ 0.0004234900000000, 0.0003307200000000, -0.0005913500000000 ] - [ -0.0000460900000000, 0.0005702800000000, -0.0004868700000000 ] - [ -0.0003014300000000, -0.0002370400000000, -0.0003980500000000 ] - [ 0.0000307900000000, -0.0005391100000000, 0.0007014900000000 ] - [ 0.0002494700000000, -0.0002734800000000, 0.0006306400000000 ] - [ -0.0003425600000000, -0.0001213900000000, 0.0011502500000000 ] - [ 0.0004538400000000, -0.0004722900000000, -0.0007543700000000 ] - [ -0.0001238000000000, -0.0001842200000000, -0.0009543300000000 ] - [ 0.0004521300000000, -0.0002378000000000, 0.0008701400000000 ] - [ 0.0002360800000000, 0.0100879600000000, 0.0066722300000000 ] - [ 0.0020788900000000, 0.0001469000000000, -0.0010338200000000 ] - [ -0.0130379600000000, -0.0219236600000000, -0.0125554600000000 ] - [ 0.0003213600000000, 0.0003748000000000, -0.0000679000000000 ] - [ -0.0014470100000000, -0.0014252100000000, -0.0029303200000000 ] - [ -0.0002867100000000, -0.0006854500000000, 0.0007490400000000 ] - [ -0.0002795200000000, 0.0003672800000000, 0.0001816300000000 ] - [ -0.0000771300000000, -0.0057186500000000, -0.0069350400000000 ] - [ -0.0003785600000000, 0.0016704200000000, 0.0000832000000000 ] - [ 0.0000116000000000, -0.0006341000000000, 0.0002844200000000 ] - [ -0.0006111700000000, -0.0001273600000000, 0.0005237900000000 ] - [ -0.0005992400000000, -0.0006072300000000, 0.0006579100000000 ] - [ -0.0000638600000000, -0.0004241400000000, -0.0000280800000000 ] - [ 0.0002130700000000, -0.0005216500000000, 0.0005069100000000 ] - [ -0.0002694000000000, -0.0055908000000000, 0.0003995600000000 ] - [ 0.0001412300000000, -0.0001035200000000, 0.0008232700000000 ] - [ 0.0002004300000000, 0.0007594300000000, 0.0002317300000000 ] - [ 0.0001744800000000, 0.0002922100000000, -0.0004196200000000 ] - [ 0.0004268300000000, 0.0003347600000000, -0.0001896600000000 ] - [ -0.0008762900000000, -0.0005984400000000, -0.0011532300000000 ]- atom: 82 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0009024500000000, -0.0000567700000000, 0.0000017000000000 ] - [ -0.0002049300000000, 0.0001011700000000, 0.0000370700000000 ] - [ 0.0000377800000000, 0.0000806800000000, -0.0001140600000000 ] - [ -0.0001393400000000, -0.0000992300000000, 0.0001359700000000 ] - [ -0.0021526500000000, -0.0004604300000000, -0.0003871900000000 ] - [ 0.0001686400000000, 0.0001865700000000, 0.0000959000000000 ] - [ 0.0003704300000000, -0.0001462500000000, -0.0005394300000000 ] - [ 0.0005389100000000, 0.0001582700000000, 0.0003898700000000 ] - [ 0.0001298300000000, -0.0000170000000000, -0.0000758300000000 ] - [ 0.0002878900000000, -0.0005096800000000, -0.0000625500000000 ] - [ 0.0001940500000000, 0.0002921100000000, -0.0005751200000000 ] - [ -0.0002222900000000, 0.0000458100000000, 0.0008092200000000 ] - [ -0.0000554300000000, -0.0001161500000000, -0.0000258300000000 ] - [ -0.0000101700000000, 0.0000159900000000, 0.0001166200000000 ] - [ -0.0000869900000000, -0.0001167200000000, 0.0000069900000000 ] - [ -0.0001908600000000, -0.0001088000000000, -0.0000458600000000 ] - [ -0.0016188400000000, 0.0007336200000000, -0.0014454100000000 ] - [ 0.0007497200000000, -0.0017478800000000, 0.0013970600000000 ] - [ -0.0015170700000000, 0.0031019300000000, 0.0046295800000000 ] - [ -0.0004877400000000, 0.0000595300000000, 0.0000386700000000 ] - [ -0.0006525700000000, -0.0001100900000000, 0.0000224200000000 ] - [ 0.0000783700000000, 0.0002805100000000, -0.0002034400000000 ] - [ 0.0003658000000000, -0.0002022400000000, 0.0000819800000000 ] - [ 0.0002764000000000, -0.0002360900000000, 0.0000663000000000 ] - [ 0.0000409000000000, -0.0002493500000000, -0.0000062100000000 ] - [ -0.0004767900000000, -0.0002045000000000, 0.0000749000000000 ] - [ -0.0001235300000000, -0.0000990800000000, 0.0001742500000000 ] - [ 0.0023693200000000, -0.0006264600000000, -0.0000730300000000 ] - [ 0.0004004800000000, -0.0001382400000000, -0.0001356500000000 ] - [ -0.0002002200000000, -0.0001113100000000, -0.0001988200000000 ] - [ -0.0006964400000000, 0.0002200800000000, -0.0001773400000000 ] - [ -0.0002123900000000, 0.0000990100000000, 0.0000547500000000 ] - [ -0.0016650900000000, 0.0033161800000000, 0.0003124800000000 ] - [ 0.0001187400000000, 0.0001198000000000, -0.0002516500000000 ] - [ -0.0001439500000000, -0.0012964400000000, -0.0007132800000000 ] - [ -0.0003044300000000, -0.0008075100000000, 0.0029056700000000 ] - [ -0.0002080700000000, 0.0003651500000000, 0.0007161200000000 ] - [ -0.0137481600000000, 0.0011399500000000, 0.0085318600000000 ] - [ -0.0005155300000000, 0.0008432900000000, 0.0003838000000000 ] - [ 0.0007813800000000, -0.0011506300000000, 0.0014608000000000 ] - [ -0.0043448400000000, 0.0068611500000000, -0.0003784200000000 ] - [ 0.0015803900000000, 0.0015666600000000, 0.0004655500000000 ] - [ 0.0000334900000000, -0.0002003800000000, 0.0000097900000000 ] - [ 0.0010609300000000, -0.0001824800000000, 0.0000016300000000 ] - [ 0.0011500700000000, -0.0004200100000000, -0.0003386700000000 ] - [ 0.0003784300000000, 0.0001683900000000, -0.0001894700000000 ] - [ -0.0006644100000000, 0.0007484900000000, 0.0004874000000000 ] - [ -0.0010827100000000, 0.0003405700000000, -0.0004303400000000 ] - [ 0.0002929900000000, -0.0005808800000000, 0.0005368500000000 ] - [ 0.0483332100000000, 0.0178383900000000, -0.0076277700000000 ] - [ -0.0013845300000000, 0.0001687200000000, -0.0012503200000000 ] - [ -0.0009639400000000, 0.0010412500000000, 0.0001621200000000 ] - [ 0.0002942600000000, -0.0005695300000000, 0.0002261200000000 ] - [ -0.0018641800000000, 0.0002076100000000, 0.0002547200000000 ] - [ -0.0009833600000000, -0.0007628000000000, -0.0001231800000000 ] - [ 0.0479148000000000, 0.0212772600000000, 0.0131522800000000 ] - [ 0.0005378300000000, 0.0005655600000000, 0.0002500100000000 ] - [ -0.0010342600000000, 0.0000997300000000, -0.0006317400000000 ] - [ -0.0000149500000000, -0.0006112900000000, -0.0008365200000000 ] - [ -0.0004039600000000, -0.0001883800000000, 0.0009547500000000 ] - [ 0.0007976800000000, 0.0003636800000000, 0.0007298800000000 ] - [ -0.0007259900000000, -0.0003019500000000, 0.0005133600000000 ] - [ -0.0003013400000000, -0.0000297300000000, 0.0006988700000000 ] - [ -0.0011763200000000, -0.0005043600000000, 0.0002970400000000 ] - [ -0.0003263600000000, 0.0005912900000000, -0.0002830700000000 ] - [ -0.0008515700000000, 0.0006493200000000, -0.0002740300000000 ] - [ 0.0007579200000000, -0.0001268500000000, 0.0002797500000000 ] - [ -0.0004996400000000, 0.0002813300000000, -0.0008351300000000 ] - [ -0.0002949600000000, 0.0000378100000000, -0.0001561100000000 ] - [ 0.0004878200000000, -0.0003228800000000, -0.0012850400000000 ] - [ 0.0006961700000000, 0.0005092000000000, 0.0002190700000000 ] - [ 0.0000941500000000, -0.0004324900000000, -0.0002845100000000 ] - [ -0.0000238200000000, -0.0013585100000000, -0.0000398400000000 ] - [ 0.0003213700000000, 0.0000530000000000, 0.0003979500000000 ] - [ -0.0004078900000000, -0.0000952500000000, -0.0005204800000000 ] - [ -0.0002905200000000, 0.0002648000000000, -0.0003976600000000 ] - [ -0.0008455200000000, -0.0001108600000000, -0.0001600800000000 ] - [ -0.0000768200000000, -0.0006619200000000, 0.0003051400000000 ] - [ -0.0001413500000000, -0.0009142800000000, 0.0004097900000000 ] - [ -0.0001232500000000, -0.0006864100000000, -0.0003425800000000 ] - [ -0.0002512700000000, -0.0005290000000000, -0.0005819300000000 ] - [ -0.0916559000000000, -0.0656956300000000, -0.0142423800000000 ] - [ 0.0002187300000000, 0.0004500700000000, 0.0007491600000000 ] - [ 0.0006759600000000, -0.0004311000000000, 0.0011787800000000 ] - [ 0.0202599900000000, 0.0168638700000000, 0.0132454100000000 ] - [ 0.0004696400000000, 0.0002770900000000, -0.0001408500000000 ] - [ 0.0008376900000000, 0.0012572700000000, -0.0027352300000000 ] - [ -0.0006120800000000, -0.0000781300000000, -0.0009390400000000 ] - [ 0.0000441600000000, -0.0004185700000000, -0.0003226800000000 ] - [ 0.0001516500000000, 0.0004493300000000, 0.0009658000000000 ] - [ 0.0006077800000000, 0.0000996400000000, -0.0006195700000000 ] - [ -0.0012559800000000, 0.0005477500000000, -0.0009785200000000 ] - [ -0.0003232800000000, -0.0004017300000000, -0.0000430600000000 ] - [ 0.0000663400000000, -0.0001348100000000, 0.0003117000000000 ] - [ 0.0010652000000000, -0.0005284900000000, -0.0000364500000000 ] - [ 0.0001810800000000, 0.0004993300000000, 0.0005612500000000 ] - [ -0.0063555900000000, 0.0041261600000000, 0.0017896800000000 ] - [ 0.0002436300000000, -0.0002363500000000, -0.0016385700000000 ] - [ -0.0009876100000000, 0.0005991000000000, 0.0002198800000000 ] - [ -0.0004793500000000, -0.0003728100000000, 0.0000017300000000 ] - [ -0.0002847500000000, 0.0004213500000000, 0.0002941600000000 ] - [ 0.0000033600000000, -0.0001809000000000, 0.0000587100000000 ] - [ 0.0013375900000000, 0.0001115800000000, 0.0004522500000000 ] - [ -0.0002862700000000, -0.0001028000000000, 0.0002722300000000 ] - [ -0.0006635800000000, -0.0018643800000000, -0.0012909500000000 ] - [ 0.0004843600000000, 0.0003110400000000, -0.0004384300000000 ] - [ 0.0006211600000000, -0.0005453100000000, -0.0000113100000000 ] - [ 0.0005482600000000, 0.0006736100000000, -0.0001890500000000 ] - [ -0.0000379100000000, 0.0001004200000000, 0.0008228000000000 ] - [ -0.0002375200000000, -0.0002680600000000, -0.0001563100000000 ] - [ 0.0004174100000000, 0.0001313300000000, -0.0003657900000000 ] - [ 0.0003773800000000, 0.0001706400000000, -0.0002319100000000 ] - [ 0.0002652500000000, 0.0003615000000000, -0.0005438500000000 ] - [ 0.0017375100000000, -0.0013927700000000, -0.0000239700000000 ] - [ -0.0001064400000000, -0.0004011300000000, -0.0000763000000000 ] - [ -0.0001326200000000, -0.0008157000000000, -0.0002055100000000 ] - [ -0.0001246600000000, -0.0001018800000000, -0.0001485700000000 ] - [ 0.0001571600000000, 0.0002381000000000, -0.0002531600000000 ] - [ 0.0001173200000000, 0.0003521000000000, 0.0006652800000000 ] - [ -0.0007328100000000, 0.0003339900000000, -0.0002304500000000 ] - [ 0.0000299400000000, 0.0002429400000000, 0.0003538700000000 ] - [ 0.0003013200000000, -0.0169705200000000, 0.0077020800000000 ] - [ -0.0001726700000000, -0.0000892600000000, 0.0001009700000000 ] - [ -0.0006721300000000, 0.0001593200000000, -0.0004459800000000 ] - [ 0.0002604800000000, 0.0003611100000000, 0.0001163800000000 ] - [ -0.0003950800000000, -0.0000290800000000, -0.0004066200000000 ] - [ 0.0006718100000000, 0.0004047900000000, -0.0001224100000000 ] - [ 0.0013008700000000, 0.0003867300000000, -0.0015055700000000 ] - [ 0.0001308600000000, -0.0002314800000000, 0.0007638600000000 ] - [ 0.0003829500000000, -0.0000565700000000, 0.0003408400000000 ] - [ -0.0004937500000000, -0.0000697400000000, -0.0004870100000000 ] - [ 0.0002278500000000, -0.0001150100000000, 0.0002234400000000 ] - [ -0.0001170400000000, 0.0001369500000000, -0.0001053200000000 ] - [ 0.0004331900000000, 0.0002994800000000, 0.0000775200000000 ] - [ 0.0003745500000000, -0.0002737600000000, -0.0007413800000000 ] - [ 0.0067606100000000, 0.0224724300000000, -0.0152825400000000 ] - [ 0.0003558500000000, -0.0005133800000000, 0.0004005200000000 ] - [ -0.0001037600000000, -0.0004451800000000, -0.0002174600000000 ] - [ -0.0004361400000000, 0.0002191200000000, 0.0002399600000000 ] - [ -0.0000110000000000, -0.0003752500000000, 0.0004217600000000 ] - [ 0.0006229600000000, -0.0002916200000000, -0.0008108700000000 ] - [ 0.0042590300000000, -0.0045242500000000, 0.0013329600000000 ] - [ -0.0010328400000000, -0.0000672100000000, 0.0003025800000000 ] - [ 0.0007943300000000, -0.0002393800000000, 0.0006312000000000 ] - [ 0.0002420600000000, -0.0004422100000000, -0.0000372300000000 ] - [ -0.0080075800000000, -0.0080296900000000, -0.0096601400000000 ] - [ -0.0001374000000000, -0.0018246600000000, 0.0002049300000000 ] - [ 0.0000787900000000, 0.0002168400000000, -0.0002327900000000 ] - [ 0.0005951400000000, 0.0004002800000000, 0.0000033500000000 ] - [ -0.0008364600000000, 0.0003397500000000, -0.0012486100000000 ] - [ -0.0079160700000000, 0.0058844500000000, 0.0014704400000000 ] - [ -0.0002273700000000, -0.0002575600000000, -0.0001972800000000 ] - [ -0.0001843400000000, -0.0003121100000000, -0.0003648800000000 ] - [ 0.0001431300000000, 0.0007540200000000, 0.0002630500000000 ] - [ -0.0003061100000000, 0.0004376300000000, 0.0004045600000000 ] - [ -0.0002062900000000, 0.0003792500000000, 0.0002009400000000 ] - [ 0.0008301600000000, -0.0000479800000000, -0.0002926000000000 ] - [ -0.0000271100000000, 0.0004638100000000, -0.0001911000000000 ] - [ -0.0003240900000000, -0.0000949900000000, -0.0003237200000000 ] - [ -0.0000554700000000, 0.0000096800000000, -0.0005695900000000 ] - [ -0.0007604700000000, -0.0006964100000000, -0.0001469900000000 ] - [ 0.0001523300000000, 0.0003930700000000, 0.0012186200000000 ] - [ 0.0000762300000000, 0.0002188200000000, -0.0004064200000000 ] - [ -0.0002314100000000, 0.0002996000000000, 0.0001618500000000 ] - [ -0.0001321800000000, -0.0005055300000000, -0.0000900400000000 ] - [ 0.0012355900000000, -0.0009217300000000, 0.0002302900000000 ] - [ 0.0000746400000000, -0.0003434900000000, 0.0002150500000000 ] - [ -0.0001404300000000, 0.0006366400000000, 0.0006899600000000 ] - [ 0.0004257000000000, -0.0002068200000000, 0.0001670700000000 ] - [ 0.0002450000000000, -0.0000812900000000, -0.0008891300000000 ] - [ 0.0000365000000000, 0.0001066000000000, 0.0003160800000000 ] - [ 0.0003595000000000, 0.0003130000000000, -0.0002533200000000 ] - [ -0.0000927000000000, 0.0002659800000000, 0.0004631800000000 ] - [ 0.0006228300000000, -0.0003865500000000, 0.0001694200000000 ] - [ 0.0003611700000000, 0.0001096900000000, 0.0003482800000000 ] - [ -0.0006137800000000, -0.0001093500000000, 0.0001389700000000 ] - [ -0.0002601800000000, 0.0002076400000000, 0.0001282900000000 ] - [ 0.0004526200000000, 0.0009064900000000, -0.0003928500000000 ] - [ 0.0001768400000000, 0.0000322800000000, 0.0005305300000000 ] - [ 0.0001934400000000, 0.0002988400000000, -0.0003142300000000 ] - [ 0.0003820900000000, -0.0001091400000000, 0.0004070200000000 ] - [ -0.0005529000000000, 0.0001160100000000, -0.0002775600000000 ] - [ 0.0005094100000000, 0.0005631300000000, -0.0000524700000000 ] - [ 0.0003276500000000, 0.0004515400000000, -0.0003612900000000 ] - [ 0.0010704600000000, 0.0004058800000000, 0.0000325000000000 ] - [ -0.0002261900000000, 0.0002982200000000, 0.0002698100000000 ] - [ -0.0004985600000000, -0.0002485300000000, -0.0000547400000000 ] - [ 0.0004587700000000, -0.0008580900000000, -0.0000331300000000 ] - [ -0.0004128600000000, -0.0001984300000000, -0.0003023200000000 ] - [ -0.0001733200000000, 0.0004154100000000, -0.0005914900000000 ] - [ -0.0004177400000000, 0.0002986900000000, 0.0002455400000000 ] - [ -0.0001168100000000, 0.0005383800000000, -0.0000280300000000 ] - [ -0.0004494500000000, 0.0000334500000000, 0.0003697300000000 ] - [ -0.0004690100000000, 0.0000491700000000, -0.0002550300000000 ] - [ 0.0001571300000000, -0.0001745400000000, 0.0004861500000000 ] - [ 0.0000242200000000, -0.0000982900000000, -0.0002998000000000 ] - [ -0.0001577300000000, 0.0007736300000000, -0.0002242600000000 ] - [ 0.0002271700000000, -0.0002419700000000, -0.0004541000000000 ] - [ 0.0004617500000000, 0.0003215500000000, -0.0000001400000000 ] - [ 0.0004604700000000, 0.0000784200000000, 0.0000143400000000 ] - [ -0.0003807000000000, -0.0000288900000000, 0.0004258900000000 ] - [ 0.0004133700000000, 0.0000767000000000, 0.0011531500000000 ] - [ 0.0003722900000000, -0.0005934900000000, -0.0000853700000000 ] - [ 0.0007924500000000, -0.0001964400000000, 0.0000967200000000 ] - [ -0.0003189700000000, 0.0005182200000000, -0.0001056900000000 ] - [ 0.0008914800000000, -0.0002418000000000, -0.0000105500000000 ] - [ 0.0001582700000000, -0.0001409800000000, -0.0007999500000000 ] - [ 0.0003763400000000, 0.0003477300000000, -0.0002666700000000 ] - [ 0.0000314500000000, -0.0003843500000000, 0.0002167400000000 ] - [ 0.0003339500000000, -0.0008764800000000, -0.0003511000000000 ] - [ 0.0001178300000000, 0.0003370300000000, 0.0000916900000000 ] - [ 0.0001960900000000, -0.0002995000000000, 0.0003352100000000 ] - [ 0.0002263000000000, 0.0002323300000000, -0.0004089500000000 ] - [ -0.0000052400000000, -0.0005565700000000, 0.0002098000000000 ] - [ -0.0000365100000000, -0.0000676800000000, 0.0002055300000000 ] - [ -0.0003355300000000, 0.0004060000000000, 0.0001746300000000 ] - [ -0.0005791300000000, -0.0000928500000000, -0.0007195300000000 ] - [ 0.0003349800000000, -0.0003177800000000, 0.0001338400000000 ] - [ -0.0002829000000000, -0.0006944200000000, 0.0000322900000000 ] - [ 0.0005744400000000, 0.0002162800000000, -0.0001734300000000 ] - [ 0.0001391700000000, 0.0005563300000000, 0.0000018900000000 ] - [ 0.0005008800000000, 0.0004217700000000, -0.0001183200000000 ] - [ 0.0004726400000000, 0.0002484300000000, -0.0001993700000000 ] - [ 0.0034493800000000, -0.0010867000000000, 0.0001487500000000 ]- atom: 82 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0010261200000000, 0.0001780400000000, -0.0001218800000000 ] - [ 0.0000845000000000, 0.0000210700000000, 0.0000827500000000 ] - [ 0.0000840000000000, 0.0000414400000000, -0.0000059900000000 ] - [ 0.0000193700000000, 0.0002212400000000, -0.0000171800000000 ] - [ 0.0020328300000000, 0.0003350200000000, 0.0002689600000000 ] - [ -0.0000484600000000, -0.0003062200000000, 0.0000232800000000 ] - [ -0.0002482300000000, 0.0000176100000000, 0.0006582900000000 ] - [ -0.0006657600000000, -0.0002800800000000, -0.0005229100000000 ] - [ -0.0000094700000000, 0.0001375200000000, -0.0000439800000000 ] - [ -0.0004085100000000, 0.0006267700000000, 0.0001835500000000 ] - [ -0.0000746200000000, -0.0001715500000000, 0.0004543100000000 ] - [ 0.0001027000000000, 0.0000765800000000, -0.0006934000000000 ] - [ -0.0000673300000000, -0.0000059700000000, -0.0000944800000000 ] - [ 0.0001325800000000, -0.0001365900000000, 0.0000017000000000 ] - [ 0.0002098500000000, -0.0000041200000000, 0.0001128800000000 ] - [ 0.0000698000000000, -0.0000127900000000, -0.0000734500000000 ] - [ 0.0015500500000000, -0.0008097200000000, 0.0015237400000000 ] - [ -0.0006929500000000, 0.0016867800000000, -0.0014641300000000 ] - [ 0.0016121100000000, -0.0030112700000000, -0.0045549000000000 ] - [ 0.0004189000000000, 0.0000099600000000, -0.0001141000000000 ] - [ 0.0007277500000000, 0.0001794600000000, 0.0000519700000000 ] - [ -0.0001536500000000, -0.0002120000000000, 0.0001236300000000 ] - [ -0.0004403500000000, 0.0001312300000000, -0.0000105800000000 ] - [ -0.0002032300000000, 0.0001657400000000, -0.0001440100000000 ] - [ -0.0001114100000000, 0.0001806900000000, 0.0000835400000000 ] - [ 0.0005508800000000, 0.0001331500000000, -0.0001496400000000 ] - [ 0.0001959700000000, 0.0001726900000000, -0.0000994100000000 ] - [ -0.0024539300000000, 0.0007017300000000, 0.0000054900000000 ] - [ -0.0003310300000000, 0.0002137700000000, 0.0002093800000000 ] - [ 0.0001248100000000, 0.0001825300000000, 0.0001243100000000 ] - [ 0.0006302200000000, -0.0002894300000000, 0.0002527300000000 ] - [ 0.0002840100000000, -0.0001722000000000, -0.0001313500000000 ] - [ 0.0024282800000000, -0.0021264700000000, -0.0000174500000000 ] - [ -0.0004085800000000, 0.0006401400000000, -0.0009307300000000 ] - [ 0.0004378200000000, 0.0005356800000000, -0.0004639700000000 ] - [ 0.0005907400000000, 0.0015683000000000, -0.0017304900000000 ] - [ 0.0009651100000000, -0.0000790800000000, 0.0004618900000000 ] - [ 0.0126129200000000, -0.0014340200000000, -0.0078016900000000 ] - [ -0.0002330900000000, -0.0011243200000000, 0.0007998400000000 ] - [ -0.0019600600000000, 0.0003980800000000, -0.0011805700000000 ] - [ 0.0039708800000000, -0.0057353400000000, -0.0003358000000000 ] - [ -0.0023411900000000, -0.0003756500000000, -0.0007665200000000 ] - [ 0.0007308900000000, -0.0009769800000000, -0.0002960900000000 ] - [ -0.0003017600000000, -0.0000928200000000, -0.0011761300000000 ] - [ 0.0000256600000000, 0.0001293100000000, -0.0004255400000000 ] - [ 0.0008054500000000, 0.0005917600000000, 0.0004801000000000 ] - [ 0.0009532200000000, 0.0004297900000000, 0.0002713600000000 ] - [ -0.0000945700000000, 0.0004201600000000, 0.0001444400000000 ] - [ 0.0008855100000000, -0.0001782600000000, -0.0008259600000000 ] - [ -0.0474488300000000, -0.0181518600000000, 0.0087660100000000 ] - [ 0.0002027800000000, 0.0001104800000000, 0.0004885000000000 ] - [ 0.0002217900000000, -0.0007594000000000, -0.0013390300000000 ] - [ -0.0005877300000000, -0.0006102500000000, 0.0005280000000000 ] - [ 0.0011075400000000, -0.0013898800000000, 0.0000296600000000 ] - [ 0.0006999500000000, 0.0000068800000000, 0.0013080400000000 ] - [ -0.0472707200000000, -0.0221504300000000, -0.0134011100000000 ] - [ 0.0002128600000000, 0.0006162100000000, 0.0000368200000000 ] - [ 0.0007491600000000, 0.0006617800000000, -0.0005474000000000 ] - [ 0.0003016700000000, -0.0001419200000000, -0.0003427000000000 ] - [ 0.0006880500000000, 0.0009474100000000, 0.0002236900000000 ] - [ -0.0000370200000000, -0.0000739500000000, 0.0004381700000000 ] - [ -0.0004464000000000, 0.0000154500000000, 0.0002453800000000 ] - [ -0.0004595900000000, -0.0002551700000000, 0.0004799900000000 ] - [ -0.0000001100000000, -0.0002538800000000, -0.0000112700000000 ] - [ 0.0000439200000000, 0.0005849800000000, -0.0004788100000000 ] - [ 0.0000977600000000, 0.0005276500000000, -0.0000121500000000 ] - [ -0.0000018200000000, -0.0010562100000000, -0.0005657700000000 ] - [ 0.0012582400000000, -0.0005651800000000, -0.0003414200000000 ] - [ 0.0014739100000000, -0.0003283000000000, -0.0006087100000000 ] - [ 0.0006858800000000, 0.0010843200000000, 0.0015764800000000 ] - [ -0.0004199400000000, 0.0006652700000000, 0.0005369100000000 ] - [ -0.0012725600000000, 0.0011943000000000, -0.0000019200000000 ] - [ 0.0011930100000000, 0.0006020900000000, -0.0002448200000000 ] - [ 0.0008608800000000, 0.0002315000000000, 0.0003614200000000 ] - [ -0.0007757900000000, 0.0003810000000000, -0.0002394100000000 ] - [ -0.0004752400000000, 0.0000242700000000, -0.0007722500000000 ] - [ 0.0005580500000000, -0.0010658400000000, 0.0009136800000000 ] - [ -0.0006836300000000, -0.0005124800000000, -0.0000200100000000 ] - [ -0.0001421300000000, 0.0001586000000000, 0.0007734100000000 ] - [ 0.0004134900000000, -0.0004887900000000, -0.0004168900000000 ] - [ -0.0001192300000000, 0.0000549300000000, -0.0000535700000000 ] - [ 0.0920754600000000, 0.0671659800000000, 0.0146573800000000 ] - [ -0.0008558700000000, -0.0000700700000000, -0.0002655500000000 ] - [ -0.0010996900000000, 0.0011796600000000, -0.0007681300000000 ] - [ -0.0193383700000000, -0.0172839000000000, -0.0141278600000000 ] - [ -0.0000408500000000, 0.0004617600000000, -0.0002878600000000 ] - [ -0.0015839000000000, -0.0017054800000000, 0.0023305800000000 ] - [ 0.0001052300000000, 0.0001919900000000, -0.0003628400000000 ] - [ -0.0004586500000000, -0.0003205000000000, -0.0001151300000000 ] - [ -0.0000378500000000, 0.0000578800000000, 0.0003414500000000 ] - [ -0.0002359000000000, 0.0005380500000000, 0.0001381600000000 ] - [ 0.0005206200000000, -0.0001395900000000, 0.0014205600000000 ] - [ -0.0001117800000000, -0.0003361900000000, -0.0003722400000000 ] - [ 0.0003169100000000, -0.0003580500000000, 0.0003246400000000 ] - [ -0.0006469600000000, -0.0002100400000000, 0.0004697000000000 ] - [ -0.0006235500000000, -0.0000909500000000, 0.0001772600000000 ] - [ 0.0070554800000000, -0.0046984600000000, -0.0013955800000000 ] - [ -0.0001273000000000, -0.0002701200000000, 0.0003316600000000 ] - [ 0.0004941500000000, -0.0002158000000000, 0.0004192200000000 ] - [ 0.0008602200000000, 0.0008603100000000, -0.0006324100000000 ] - [ -0.0002086700000000, 0.0002166900000000, 0.0000894100000000 ] - [ 0.0004695900000000, -0.0004558400000000, 0.0003106400000000 ] - [ -0.0000287600000000, 0.0000067000000000, 0.0000550100000000 ] - [ -0.0010212200000000, -0.0004104400000000, -0.0001581500000000 ] - [ 0.0000401300000000, 0.0023555800000000, 0.0016624500000000 ] - [ 0.0000023300000000, 0.0000679500000000, -0.0001978700000000 ] - [ -0.0001128000000000, 0.0006579500000000, 0.0013131000000000 ] - [ -0.0001149000000000, -0.0002595900000000, -0.0005518300000000 ] - [ 0.0005426200000000, -0.0004910800000000, -0.0001896800000000 ] - [ -0.0005016100000000, -0.0001593500000000, -0.0002738600000000 ] - [ 0.0003236900000000, 0.0002946000000000, -0.0000618800000000 ] - [ 0.0002581000000000, 0.0002070300000000, -0.0002529000000000 ] - [ 0.0010410100000000, 0.0001485700000000, 0.0006595900000000 ] - [ -0.0021165800000000, 0.0018816500000000, 0.0006486500000000 ] - [ -0.0005334700000000, -0.0000946400000000, -0.0003072200000000 ] - [ 0.0006413300000000, -0.0004990900000000, 0.0000900400000000 ] - [ -0.0005110900000000, -0.0002802100000000, -0.0003414300000000 ] - [ -0.0002742100000000, 0.0002752400000000, -0.0010565500000000 ] - [ -0.0008559800000000, 0.0000847200000000, -0.0002454100000000 ] - [ -0.0005714800000000, 0.0001775100000000, 0.0001160400000000 ] - [ -0.0004323300000000, 0.0002027100000000, 0.0003854500000000 ] - [ -0.0015511400000000, 0.0171744900000000, -0.0083215700000000 ] - [ 0.0000560900000000, -0.0004274100000000, 0.0012063500000000 ] - [ 0.0001911200000000, -0.0005349900000000, -0.0001919200000000 ] - [ -0.0003753300000000, 0.0009490300000000, -0.0006206300000000 ] - [ -0.0000350200000000, -0.0003973100000000, -0.0003319500000000 ] - [ -0.0002367900000000, -0.0008234500000000, 0.0008605200000000 ] - [ -0.0006653600000000, -0.0007710600000000, 0.0019993700000000 ] - [ -0.0006454300000000, 0.0001148700000000, 0.0005445100000000 ] - [ 0.0003512500000000, -0.0003679200000000, 0.0000906400000000 ] - [ 0.0000773500000000, -0.0003705800000000, -0.0002517000000000 ] - [ 0.0005114700000000, -0.0003101100000000, 0.0002120300000000 ] - [ -0.0003964800000000, 0.0011713100000000, -0.0000107700000000 ] - [ 0.0008658600000000, -0.0008046700000000, -0.0001928600000000 ] - [ 0.0001315400000000, 0.0001572900000000, -0.0005634700000000 ] - [ -0.0061436400000000, -0.0215539800000000, 0.0146020400000000 ] - [ 0.0000081500000000, -0.0001246800000000, 0.0000693200000000 ] - [ 0.0002216800000000, -0.0008645100000000, -0.0002939300000000 ] - [ 0.0000366700000000, 0.0004198900000000, 0.0002789500000000 ] - [ 0.0004263100000000, -0.0000603400000000, 0.0003183500000000 ] - [ -0.0002276500000000, 0.0007364800000000, 0.0000760000000000 ] - [ -0.0044822900000000, 0.0032847300000000, -0.0008556000000000 ] - [ -0.0002657600000000, -0.0000475400000000, 0.0002106700000000 ] - [ -0.0012324800000000, 0.0009761500000000, -0.0002094800000000 ] - [ -0.0006315600000000, -0.0001953700000000, -0.0004622200000000 ] - [ 0.0084317600000000, 0.0073534600000000, 0.0100523300000000 ] - [ -0.0003747600000000, 0.0005139700000000, -0.0000902800000000 ] - [ 0.0005599000000000, 0.0002789400000000, -0.0001500900000000 ] - [ -0.0000868100000000, 0.0009063900000000, 0.0001140800000000 ] - [ 0.0012493600000000, 0.0003919800000000, 0.0008146300000000 ] - [ 0.0085942100000000, -0.0053924700000000, -0.0018344100000000 ] - [ -0.0002706200000000, -0.0003801100000000, -0.0001898900000000 ] - [ -0.0001984300000000, -0.0001791800000000, -0.0002724100000000 ] - [ -0.0000276100000000, 0.0005541900000000, 0.0002514600000000 ] - [ -0.0003311200000000, -0.0000540300000000, 0.0000852000000000 ] - [ -0.0002277700000000, 0.0003569300000000, 0.0002235000000000 ] - [ 0.0004692200000000, -0.0000677100000000, -0.0002226500000000 ] - [ 0.0004675100000000, 0.0002767300000000, -0.0002161200000000 ] - [ -0.0004146200000000, -0.0003428700000000, -0.0000923200000000 ] - [ -0.0004539100000000, 0.0001052900000000, -0.0007327500000000 ] - [ 0.0003344400000000, -0.0000393900000000, -0.0002841300000000 ] - [ -0.0000374900000000, 0.0001162700000000, 0.0000837800000000 ] - [ 0.0003166700000000, 0.0004202500000000, -0.0000987800000000 ] - [ -0.0005072900000000, 0.0001183400000000, 0.0002737100000000 ] - [ -0.0003072900000000, -0.0002351500000000, -0.0003171900000000 ] - [ -0.0008555000000000, 0.0004352700000000, 0.0004053300000000 ] - [ 0.0003459400000000, -0.0003941500000000, 0.0002206600000000 ] - [ -0.0003021800000000, -0.0002315200000000, 0.0000459500000000 ] - [ 0.0002104700000000, -0.0002979900000000, 0.0002249600000000 ] - [ -0.0001268400000000, -0.0004332200000000, -0.0004204500000000 ] - [ -0.0005217500000000, 0.0002698500000000, 0.0003222700000000 ] - [ 0.0000311000000000, 0.0001904400000000, -0.0003845900000000 ] - [ -0.0003985600000000, 0.0003767200000000, -0.0000814900000000 ] - [ -0.0001240400000000, -0.0002514400000000, 0.0002198400000000 ] - [ 0.0009497100000000, 0.0000056600000000, 0.0001657400000000 ] - [ -0.0006950000000000, -0.0003964900000000, -0.0000252000000000 ] - [ -0.0003813700000000, 0.0002910700000000, 0.0002571600000000 ] - [ 0.0000508700000000, -0.0005206700000000, -0.0002458800000000 ] - [ 0.0003334400000000, 0.0000833600000000, 0.0007724900000000 ] - [ 0.0002502400000000, 0.0001087200000000, -0.0004236000000000 ] - [ 0.0001052900000000, -0.0002697900000000, 0.0002316400000000 ] - [ -0.0001882200000000, -0.0005433800000000, -0.0001503900000000 ] - [ 0.0002311300000000, -0.0001465400000000, -0.0003843600000000 ] - [ 0.0003105700000000, -0.0000624600000000, -0.0001403900000000 ] - [ 0.0002315000000000, 0.0001084600000000, 0.0000830800000000 ] - [ -0.0001509700000000, 0.0001839300000000, 0.0003633600000000 ] - [ -0.0001359100000000, -0.0002372800000000, -0.0003235400000000 ] - [ 0.0000575800000000, -0.0004465700000000, -0.0000824600000000 ] - [ -0.0002260300000000, -0.0001763400000000, -0.0001818200000000 ] - [ 0.0000561000000000, 0.0000896400000000, -0.0007216000000000 ] - [ -0.0003167700000000, 0.0001372200000000, 0.0001736700000000 ] - [ -0.0011867700000000, -0.0000272900000000, -0.0000884300000000 ] - [ 0.0000317600000000, 0.0003981000000000, 0.0003712000000000 ] - [ -0.0008412100000000, 0.0000687700000000, -0.0002568000000000 ] - [ -0.0002747300000000, -0.0003416700000000, 0.0008198100000000 ] - [ -0.0005134300000000, -0.0002809000000000, -0.0003396800000000 ] - [ 0.0000450100000000, 0.0005312400000000, -0.0002868000000000 ] - [ -0.0006622600000000, -0.0001777600000000, -0.0002863200000000 ] - [ -0.0000174000000000, -0.0007284100000000, 0.0007395100000000 ] - [ 0.0001765500000000, -0.0004653100000000, 0.0004808100000000 ] - [ -0.0001255700000000, -0.0000890500000000, 0.0008816200000000 ] - [ 0.0003235800000000, -0.0004827000000000, -0.0007126900000000 ] - [ -0.0007723400000000, 0.0001454100000000, -0.0006530500000000 ] - [ -0.0000546100000000, -0.0002371800000000, 0.0003235900000000 ] - [ -0.0001927400000000, 0.0007846900000000, -0.0000111900000000 ] - [ 0.0004130700000000, -0.0002670100000000, -0.0001063500000000 ] - [ 0.0003565800000000, 0.0000229100000000, -0.0005101000000000 ] - [ 0.0001159700000000, 0.0002911800000000, -0.0001169000000000 ] - [ 0.0003539100000000, -0.0002542200000000, 0.0002787500000000 ] - [ -0.0002192800000000, -0.0004251600000000, -0.0001579300000000 ] - [ -0.0004944700000000, 0.0002994000000000, 0.0003890400000000 ] - [ 0.0002276200000000, -0.0001333200000000, 0.0004022000000000 ] - [ 0.0001921200000000, 0.0002021200000000, -0.0003295800000000 ] - [ -0.0001132500000000, -0.0007489600000000, 0.0003000700000000 ] - [ -0.0012708100000000, -0.0000480500000000, 0.0002993500000000 ] - [ -0.0000584600000000, 0.0003339100000000, 0.0002758300000000 ] - [ 0.0001929600000000, -0.0005474400000000, 0.0002181200000000 ] - [ 0.0001060800000000, -0.0004201700000000, 0.0002730000000000 ] - [ -0.0002326400000000, -0.0006134000000000, 0.0000817600000000 ] - [ 0.0000618500000000, 0.0002637800000000, -0.0001988700000000 ] - [ 0.0003664200000000, 0.0007457400000000, 0.0001120900000000 ] - [ -0.0001014200000000, 0.0003150500000000, -0.0003278800000000 ] - [ 0.0002647300000000, 0.0001888800000000, -0.0002172800000000 ] - [ -0.0039575400000000, 0.0004541200000000, -0.0005389300000000 ]- atom: 82 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0005040800000000, 0.0004041400000000, -0.0000431600000000 ] - [ -0.0000732200000000, 0.0001815100000000, 0.0000429800000000 ] - [ 0.0002980200000000, -0.0002817200000000, 0.0001110800000000 ] - [ -0.0001267400000000, -0.0004086400000000, 0.0002653700000000 ] - [ -0.0033679200000000, 0.0004848700000000, -0.0002253100000000 ] - [ 0.0008262600000000, -0.0015816400000000, 0.0003288400000000 ] - [ -0.0004915600000000, 0.0010965600000000, -0.0036120300000000 ] - [ -0.0000132600000000, 0.0003906000000000, -0.0031319000000000 ] - [ 0.0000342100000000, -0.0003242300000000, -0.0003301100000000 ] - [ 0.0009426600000000, -0.0049985800000000, -0.0003458700000000 ] - [ 0.0004645000000000, 0.0003704200000000, 0.0007659200000000 ] - [ -0.0006356900000000, 0.0009018300000000, 0.0008802400000000 ] - [ -0.0001953400000000, -0.0003396800000000, 0.0000106500000000 ] - [ 0.0001493000000000, 0.0001573800000000, -0.0000597400000000 ] - [ 0.0000140100000000, -0.0002793200000000, -0.0000641000000000 ] - [ -0.0000931600000000, -0.0003485200000000, -0.0001345400000000 ] - [ 0.0003871500000000, 0.0034562300000000, -0.0000922800000000 ] - [ -0.0073689500000000, -0.0038464500000000, 0.0088291700000000 ] - [ 0.0028338700000000, 0.0136567000000000, 0.0033377000000000 ] - [ 0.0001282300000000, -0.0001269600000000, -0.0003730400000000 ] - [ -0.0008874300000000, -0.0000702000000000, -0.0001939500000000 ] - [ 0.0004493300000000, 0.0014837800000000, -0.0000945700000000 ] - [ 0.0000741200000000, -0.0005171100000000, 0.0002017600000000 ] - [ 0.0002298200000000, -0.0023494800000000, 0.0004824800000000 ] - [ 0.0000782700000000, -0.0017134600000000, -0.0001494100000000 ] - [ -0.0002798400000000, -0.0003563100000000, 0.0002521500000000 ] - [ 0.0000377100000000, -0.0010425600000000, 0.0001574000000000 ] - [ 0.0074305500000000, -0.0076277200000000, -0.0049445200000000 ] - [ -0.0003068800000000, -0.0001991400000000, -0.0005660100000000 ] - [ -0.0003565700000000, -0.0012731100000000, -0.0004605500000000 ] - [ 0.0000380400000000, 0.0002635100000000, 0.0004051900000000 ] - [ 0.0002773300000000, 0.0009210200000000, -0.0003739900000000 ] - [ 0.0018972500000000, 0.0030311200000000, 0.0001017200000000 ] - [ -0.0002484000000000, 0.0006345900000000, -0.0005741500000000 ] - [ -0.0022810000000000, -0.0030577800000000, 0.0000877300000000 ] - [ -0.0005137800000000, -0.0003115200000000, 0.0034255000000000 ] - [ 0.0002641000000000, -0.0006555800000000, 0.0008803500000000 ] - [ -0.0172346300000000, 0.0159696500000000, 0.0113959900000000 ] - [ 0.0013303100000000, -0.0015357500000000, 0.0006229800000000 ] - [ -0.0004987400000000, 0.0012538100000000, 0.0018638300000000 ] - [ 0.0253995100000000, 0.0074011400000000, -0.0075763300000000 ] - [ 0.0027413400000000, 0.0033228300000000, 0.0038506600000000 ] - [ 0.0007228800000000, -0.0017486000000000, -0.0006818900000000 ] - [ 0.0030584600000000, -0.0017107300000000, 0.0038226500000000 ] - [ 0.0007406300000000, -0.0023644600000000, 0.0002322600000000 ] - [ -0.0008472000000000, -0.0012890100000000, -0.0005608600000000 ] - [ -0.0003952300000000, 0.0014687200000000, 0.0004308100000000 ] - [ -0.0008134300000000, 0.0009458600000000, -0.0005403300000000 ] - [ 0.0002464100000000, -0.0000026900000000, 0.0005195800000000 ] - [ 0.0264625300000000, 0.1647891800000000, -0.0336061800000000 ] - [ -0.0019401000000000, 0.0022289000000000, -0.0015307000000000 ] - [ 0.0014809200000000, -0.0002023600000000, -0.0009485900000000 ] - [ 0.0001819800000000, -0.0022797800000000, 0.0009416100000000 ] - [ -0.0007605900000000, 0.0001247500000000, 0.0004897900000000 ] - [ -0.0007550900000000, 0.0000519900000000, 0.0001805500000000 ] - [ 0.0151968400000000, 0.1257485200000000, 0.0537601300000000 ] - [ 0.0008104300000000, -0.0003816900000000, -0.0007351700000000 ] - [ -0.0017717700000000, -0.0006067200000000, -0.0008243000000000 ] - [ -0.0003544500000000, 0.0000625600000000, -0.0010439000000000 ] - [ -0.0015516900000000, -0.0011823300000000, 0.0019921500000000 ] - [ 0.0013947800000000, 0.0005692100000000, 0.0010288000000000 ] - [ -0.0007755100000000, -0.0009665000000000, 0.0003004100000000 ] - [ 0.0004217500000000, -0.0000986100000000, -0.0002130700000000 ] - [ -0.0014037200000000, -0.0012967500000000, 0.0006748700000000 ] - [ -0.0000710400000000, -0.0000560600000000, -0.0003029700000000 ] - [ -0.0006662100000000, -0.0001981900000000, 0.0000924700000000 ] - [ 0.0037258900000000, 0.0004378100000000, -0.0027480400000000 ] - [ 0.0004159000000000, -0.0002514100000000, -0.0004053600000000 ] - [ 0.0002290600000000, 0.0011435800000000, -0.0000273400000000 ] - [ -0.0009204600000000, 0.0017514500000000, -0.0009125300000000 ] - [ -0.0003015400000000, -0.0019164600000000, -0.0012036800000000 ] - [ -0.0028190800000000, -0.0056046700000000, 0.0003480900000000 ] - [ -0.0035140500000000, -0.0041404900000000, 0.0001163000000000 ] - [ 0.0004633000000000, -0.0005200300000000, 0.0003545200000000 ] - [ -0.0012751300000000, -0.0014986600000000, -0.0011389100000000 ] - [ 0.0011325800000000, -0.0012497500000000, -0.0023963500000000 ] - [ -0.0000752000000000, 0.0010965200000000, 0.0002970200000000 ] - [ 0.0002781700000000, -0.0017362400000000, 0.0013316700000000 ] - [ -0.0026832300000000, -0.0049018400000000, -0.0007279100000000 ] - [ 0.0000482700000000, -0.0011886700000000, -0.0005301800000000 ] - [ -0.0014129900000000, -0.0014617800000000, 0.0002297400000000 ] - [ -0.0664685800000000, -0.4186983100000000, -0.0387464500000000 ] - [ -0.0000158500000000, -0.0000896100000000, 0.0004713700000000 ] - [ -0.0060139200000000, -0.0023239200000000, -0.0016676600000000 ] - [ 0.0265214400000000, 0.0009336500000000, 0.0081799400000000 ] - [ 0.0002966700000000, 0.0001045500000000, -0.0001070400000000 ] - [ 0.0037805700000000, -0.0029299200000000, -0.0019545900000000 ] - [ -0.0008872900000000, -0.0001556300000000, -0.0020082400000000 ] - [ -0.0004064200000000, -0.0001296200000000, -0.0000214400000000 ] - [ 0.0006271100000000, 0.0010459600000000, 0.0012036100000000 ] - [ -0.0004382700000000, 0.0004530200000000, 0.0002109000000000 ] - [ -0.0007195000000000, -0.0021669000000000, -0.0002914600000000 ] - [ -0.0004836700000000, 0.0003959900000000, -0.0003791300000000 ] - [ -0.0002402600000000, 0.0005825300000000, 0.0002342600000000 ] - [ 0.0007529700000000, -0.0006193400000000, 0.0000493500000000 ] - [ -0.0001404500000000, 0.0001655900000000, 0.0004889500000000 ] - [ 0.0097362100000000, 0.0445271300000000, 0.0069556500000000 ] - [ 0.0002936100000000, -0.0005424800000000, -0.0018346200000000 ] - [ -0.0001047500000000, -0.0001115100000000, -0.0003935400000000 ] - [ -0.0010810600000000, -0.0019273100000000, -0.0008470600000000 ] - [ -0.0000509600000000, 0.0008043000000000, 0.0003551600000000 ] - [ 0.0000752000000000, 0.0004743400000000, -0.0001054100000000 ] - [ 0.0012924500000000, -0.0002352100000000, 0.0005421600000000 ] - [ -0.0000903100000000, -0.0005056800000000, 0.0001479700000000 ] - [ -0.0052805800000000, 0.0006231900000000, 0.0011111200000000 ] - [ 0.0003766700000000, 0.0001544900000000, -0.0004757000000000 ] - [ -0.0000494900000000, -0.0003281600000000, 0.0003960500000000 ] - [ 0.0010688300000000, 0.0010609200000000, -0.0002694100000000 ] - [ 0.0011567400000000, -0.0006044900000000, 0.0011397300000000 ] - [ -0.0003538900000000, -0.0006358700000000, -0.0000125100000000 ] - [ 0.0003915400000000, -0.0002645100000000, -0.0004030000000000 ] - [ 0.0005404600000000, -0.0003330700000000, -0.0000328200000000 ] - [ 0.0003962200000000, -0.0002273200000000, -0.0006042000000000 ] - [ -0.0003492000000000, -0.0023168900000000, 0.0003520600000000 ] - [ -0.0004842500000000, -0.0008400600000000, -0.0005402600000000 ] - [ -0.0002547500000000, -0.0010196000000000, -0.0012282000000000 ] - [ -0.0000212900000000, 0.0003246000000000, 0.0001014100000000 ] - [ 0.0001071700000000, 0.0000054700000000, -0.0002639100000000 ] - [ 0.0005076200000000, -0.0002580300000000, 0.0011456900000000 ] - [ -0.0005103600000000, 0.0001733900000000, -0.0001686400000000 ] - [ -0.0000587100000000, 0.0009004700000000, 0.0001473900000000 ] - [ -0.0266878500000000, 0.0200083500000000, -0.0142137500000000 ] - [ 0.0000065400000000, -0.0006353300000000, 0.0003181400000000 ] - [ 0.0007440100000000, 0.0041502300000000, -0.0011305700000000 ] - [ 0.0002345400000000, -0.0008983300000000, -0.0000243700000000 ] - [ -0.0001492500000000, -0.0002722600000000, -0.0003250000000000 ] - [ 0.0006268800000000, 0.0002935700000000, -0.0002135500000000 ] - [ 0.0017481900000000, -0.0002336000000000, -0.0021075000000000 ] - [ -0.0000973000000000, -0.0001417000000000, 0.0005144600000000 ] - [ 0.0005075800000000, 0.0008467800000000, 0.0006677600000000 ] - [ -0.0016567600000000, 0.0010733500000000, -0.0013870900000000 ] - [ 0.0004207200000000, 0.0003858200000000, 0.0003028000000000 ] - [ -0.0007358700000000, 0.0010974700000000, 0.0000737600000000 ] - [ 0.0020057400000000, 0.0016072800000000, -0.0003484000000000 ] - [ -0.0000818300000000, 0.0003092000000000, -0.0000885700000000 ] - [ 0.0155611700000000, 0.0123371000000000, -0.0193721800000000 ] - [ -0.0002567700000000, -0.0001056600000000, -0.0000999000000000 ] - [ -0.0001502900000000, 0.0013006000000000, 0.0001706900000000 ] - [ -0.0003941400000000, 0.0001691400000000, 0.0004207000000000 ] - [ -0.0006082900000000, 0.0008935700000000, 0.0006846200000000 ] - [ -0.0016992400000000, 0.0000512800000000, 0.0005838400000000 ] - [ -0.0039552800000000, -0.0126009900000000, 0.0008189700000000 ] - [ -0.0005947600000000, 0.0005591500000000, -0.0000870700000000 ] - [ -0.0004096800000000, -0.0002231300000000, 0.0000907100000000 ] - [ -0.0001671100000000, -0.0003069700000000, -0.0003506900000000 ] - [ -0.0039249900000000, 0.0018653900000000, 0.0236387200000000 ] - [ -0.0015783800000000, -0.0010218200000000, 0.0002170200000000 ] - [ 0.0005381800000000, 0.0011498900000000, 0.0003036400000000 ] - [ 0.0001288000000000, 0.0007769200000000, -0.0000350800000000 ] - [ -0.0008548000000000, -0.0009155000000000, -0.0037691700000000 ] - [ 0.0001713100000000, 0.0412581000000000, 0.0086267300000000 ] - [ -0.0001207300000000, -0.0000220500000000, -0.0000221500000000 ] - [ -0.0001733200000000, 0.0004249300000000, -0.0002581000000000 ] - [ 0.0001587100000000, 0.0012146200000000, 0.0003395400000000 ] - [ 0.0004051400000000, 0.0022292100000000, 0.0014866400000000 ] - [ -0.0003370900000000, 0.0006259700000000, 0.0001399000000000 ] - [ 0.0006955100000000, 0.0001274500000000, -0.0002065000000000 ] - [ -0.0000556300000000, 0.0018897200000000, 0.0006803800000000 ] - [ -0.0003515000000000, 0.0000854300000000, -0.0003417300000000 ] - [ -0.0001814600000000, 0.0002987600000000, -0.0009439500000000 ] - [ -0.0030319900000000, -0.0012436600000000, 0.0026385900000000 ] - [ 0.0003711300000000, -0.0000540700000000, 0.0012011400000000 ] - [ -0.0009819700000000, 0.0013124500000000, 0.0008502500000000 ] - [ -0.0002604800000000, 0.0008525300000000, -0.0000652600000000 ] - [ -0.0003108800000000, -0.0008517400000000, -0.0001725200000000 ] - [ 0.0003360100000000, -0.0010836600000000, 0.0002631600000000 ] - [ 0.0002017800000000, -0.0000881000000000, 0.0000585700000000 ] - [ 0.0013827800000000, 0.0038975700000000, 0.0028389100000000 ] - [ 0.0003537900000000, -0.0000297200000000, 0.0001208000000000 ] - [ 0.0010442800000000, 0.0005667800000000, -0.0018317500000000 ] - [ -0.0000730400000000, 0.0003271700000000, 0.0001384100000000 ] - [ 0.0004246900000000, 0.0007596300000000, -0.0002978500000000 ] - [ 0.0002732600000000, -0.0005352900000000, 0.0008400200000000 ] - [ 0.0003789400000000, -0.0008157800000000, 0.0000109900000000 ] - [ 0.0012925100000000, 0.0007428500000000, 0.0007915600000000 ] - [ 0.0008289900000000, 0.0007343200000000, 0.0002028300000000 ] - [ -0.0003539500000000, 0.0004907800000000, 0.0003525500000000 ] - [ 0.0039365500000000, 0.0039256800000000, -0.0002748500000000 ] - [ 0.0000777600000000, 0.0004786900000000, 0.0016531600000000 ] - [ 0.0005262400000000, -0.0000386200000000, -0.0002090600000000 ] - [ 0.0006610100000000, 0.0001180100000000, 0.0005428300000000 ] - [ 0.0002158100000000, 0.0027594500000000, -0.0013576400000000 ] - [ 0.0013532500000000, 0.0023232900000000, 0.0005704800000000 ] - [ 0.0005944200000000, 0.0014148100000000, -0.0010732700000000 ] - [ 0.0016501100000000, 0.0006516600000000, -0.0000623900000000 ] - [ -0.0004672000000000, 0.0008631700000000, 0.0004101400000000 ] - [ -0.0004245000000000, 0.0003761400000000, -0.0001897900000000 ] - [ 0.0002232900000000, -0.0003870900000000, -0.0000992800000000 ] - [ -0.0001835900000000, -0.0006913200000000, -0.0001046800000000 ] - [ 0.0004947700000000, 0.0016865100000000, -0.0003236100000000 ] - [ -0.0000968700000000, 0.0006423900000000, 0.0002981500000000 ] - [ 0.0012753400000000, 0.0007827600000000, 0.0001674700000000 ] - [ -0.0007756600000000, -0.0002856500000000, 0.0003766500000000 ] - [ -0.0007006600000000, 0.0002412600000000, -0.0002774100000000 ] - [ 0.0003421300000000, 0.0001344300000000, 0.0002621000000000 ] - [ -0.0002655500000000, -0.0003505300000000, -0.0001621000000000 ] - [ -0.0001797400000000, 0.0020347800000000, -0.0003935700000000 ] - [ 0.0001787400000000, -0.0001482000000000, -0.0004196500000000 ] - [ 0.0013370500000000, 0.0008104900000000, -0.0005366300000000 ] - [ 0.0007420800000000, 0.0008010100000000, -0.0005213900000000 ] - [ -0.0003662900000000, 0.0004762700000000, -0.0012744700000000 ] - [ 0.0008111300000000, -0.0013410200000000, 0.0003071600000000 ] - [ -0.0004592300000000, -0.0003857500000000, -0.0006515400000000 ] - [ 0.0004996700000000, -0.0006564000000000, -0.0002113500000000 ] - [ -0.0010325700000000, 0.0010922200000000, 0.0004589700000000 ] - [ 0.0009443600000000, -0.0004124500000000, 0.0000221800000000 ] - [ -0.0004155700000000, -0.0000202200000000, 0.0008258900000000 ] - [ 0.0003340300000000, 0.0005454700000000, -0.0002488900000000 ] - [ 0.0000465100000000, -0.0003740900000000, 0.0004165600000000 ] - [ 0.0002848500000000, -0.0016029500000000, -0.0003711700000000 ] - [ 0.0000897200000000, 0.0005756900000000, 0.0001297300000000 ] - [ -0.0001736300000000, -0.0005003500000000, 0.0005198100000000 ] - [ -0.0006407000000000, 0.0011006600000000, 0.0001186800000000 ] - [ 0.0000360000000000, -0.0000023000000000, 0.0002104700000000 ] - [ -0.0005991300000000, -0.0004426300000000, 0.0002030000000000 ] - [ -0.0002372200000000, 0.0006306200000000, 0.0004184100000000 ] - [ -0.0017988900000000, 0.0018248800000000, -0.0038194100000000 ] - [ 0.0002096700000000, -0.0001352900000000, 0.0002674100000000 ] - [ -0.0003983100000000, -0.0003892400000000, 0.0002643800000000 ] - [ 0.0004945100000000, -0.0000238500000000, 0.0000066300000000 ] - [ 0.0000371100000000, 0.0007785100000000, -0.0001953500000000 ] - [ 0.0003513600000000, 0.0006269400000000, -0.0002404500000000 ] - [ 0.0003608600000000, 0.0004350800000000, -0.0000490000000000 ] - [ 0.0043310200000000, -0.0037438600000000, 0.0000257600000000 ]- atom: 82 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0006219700000000, -0.0002830000000000, -0.0000771300000000 ] - [ -0.0000470800000000, -0.0000585300000000, 0.0000766600000000 ] - [ -0.0001771100000000, 0.0004008600000000, -0.0002308300000000 ] - [ 0.0000060700000000, 0.0005296300000000, -0.0001456900000000 ] - [ 0.0032404800000000, -0.0006035600000000, 0.0001051400000000 ] - [ -0.0007018600000000, 0.0014568200000000, -0.0002086500000000 ] - [ 0.0006118400000000, -0.0012028200000000, 0.0037163900000000 ] - [ -0.0001105600000000, -0.0005093900000000, 0.0029926400000000 ] - [ 0.0000859900000000, 0.0004439100000000, 0.0002086600000000 ] - [ -0.0010632600000000, 0.0051149100000000, 0.0004700700000000 ] - [ -0.0003419200000000, -0.0002480300000000, -0.0008823400000000 ] - [ 0.0005110600000000, -0.0007794200000000, -0.0007570200000000 ] - [ 0.0000724500000000, 0.0002162900000000, -0.0001307900000000 ] - [ -0.0000267000000000, -0.0002776500000000, 0.0001785600000000 ] - [ 0.0001083200000000, 0.0001572200000000, 0.0001834500000000 ] - [ -0.0000280100000000, 0.0002267400000000, 0.0000149400000000 ] - [ -0.0004555600000000, -0.0035092700000000, 0.0001592300000000 ] - [ 0.0074563700000000, 0.0037600900000000, -0.0089259100000000 ] - [ -0.0027480000000000, -0.0135326700000000, -0.0032692500000000 ] - [ -0.0001972100000000, 0.0001930300000000, 0.0002978800000000 ] - [ 0.0009573900000000, 0.0001427300000000, 0.0002654900000000 ] - [ -0.0005182100000000, -0.0014085500000000, 0.0000230000000000 ] - [ -0.0001479600000000, 0.0004461400000000, -0.0001294300000000 ] - [ -0.0001596700000000, 0.0022748200000000, -0.0005546900000000 ] - [ -0.0001505400000000, 0.0016393000000000, 0.0002228600000000 ] - [ 0.0003520300000000, 0.0002864500000000, -0.0003246100000000 ] - [ 0.0000341400000000, 0.0011118000000000, -0.0000844800000000 ] - [ -0.0074470100000000, 0.0076500100000000, 0.0048422900000000 ] - [ 0.0003768900000000, 0.0002714100000000, 0.0006373900000000 ] - [ 0.0002831400000000, 0.0013389900000000, 0.0003871600000000 ] - [ -0.0001030800000000, -0.0003357200000000, -0.0003299400000000 ] - [ -0.0002057300000000, -0.0009899600000000, 0.0002983100000000 ] - [ -0.0011217000000000, -0.0018584300000000, 0.0001886900000000 ] - [ -0.0000440100000000, 0.0001281300000000, -0.0006043500000000 ] - [ 0.0025601000000000, 0.0022912400000000, -0.0012617600000000 ] - [ 0.0007961600000000, 0.0010730400000000, -0.0022433400000000 ] - [ 0.0004923500000000, 0.0009432400000000, 0.0003005900000000 ] - [ 0.0159688200000000, -0.0162273900000000, -0.0105925800000000 ] - [ -0.0020816800000000, 0.0012424200000000, 0.0005621300000000 ] - [ -0.0006858200000000, -0.0020044700000000, -0.0015732700000000 ] - [ -0.0255320600000000, -0.0061589200000000, 0.0067436100000000 ] - [ -0.0034962700000000, -0.0021567800000000, -0.0041196700000000 ] - [ 0.0000387400000000, 0.0005656800000000, 0.0003957100000000 ] - [ -0.0023031700000000, 0.0014141300000000, -0.0050072900000000 ] - [ 0.0004363500000000, 0.0020680500000000, -0.0009922700000000 ] - [ 0.0020213900000000, 0.0020432600000000, 0.0008493400000000 ] - [ 0.0006847500000000, -0.0002820300000000, 0.0003275200000000 ] - [ -0.0003659500000000, -0.0001849000000000, 0.0002527400000000 ] - [ 0.0009316700000000, -0.0007512300000000, -0.0008044600000000 ] - [ -0.0231359400000000, -0.1519965700000000, 0.0304389600000000 ] - [ 0.0007579200000000, -0.0019327100000000, 0.0007668400000000 ] - [ -0.0022245600000000, 0.0004813800000000, -0.0002337400000000 ] - [ -0.0004738000000000, 0.0010928600000000, -0.0001836100000000 ] - [ 0.0000019400000000, -0.0012993600000000, -0.0002057900000000 ] - [ 0.0004679700000000, -0.0008073700000000, 0.0010003900000000 ] - [ -0.0169156900000000, -0.1343694500000000, -0.0606978500000000 ] - [ -0.0000591800000000, 0.0015640600000000, 0.0010173100000000 ] - [ 0.0014847500000000, 0.0013613200000000, -0.0003568600000000 ] - [ 0.0006390600000000, -0.0008137400000000, -0.0001372900000000 ] - [ 0.0018336800000000, 0.0019304800000000, -0.0008121100000000 ] - [ -0.0006295000000000, -0.0002852100000000, 0.0001463900000000 ] - [ -0.0004007800000000, 0.0006769900000000, 0.0004565600000000 ] - [ -0.0011786500000000, -0.0001837000000000, 0.0013911500000000 ] - [ 0.0002252100000000, 0.0005344000000000, -0.0003874600000000 ] - [ -0.0002128600000000, 0.0012289200000000, -0.0004602200000000 ] - [ -0.0000883400000000, 0.0013753900000000, -0.0003781200000000 ] - [ -0.0029586100000000, -0.0016104000000000, 0.0024561000000000 ] - [ 0.0003422100000000, -0.0000303300000000, -0.0007732400000000 ] - [ 0.0009497800000000, -0.0014301100000000, -0.0007351500000000 ] - [ 0.0020888800000000, -0.0009861700000000, 0.0011944200000000 ] - [ 0.0005796600000000, 0.0030819200000000, 0.0019612200000000 ] - [ 0.0016256600000000, 0.0063442800000000, -0.0006312800000000 ] - [ 0.0046887300000000, 0.0033741000000000, -0.0004032800000000 ] - [ 0.0007206800000000, 0.0008014200000000, 0.0004017100000000 ] - [ 0.0000911900000000, 0.0017774100000000, 0.0003807200000000 ] - [ -0.0018906000000000, 0.0015383400000000, 0.0012167300000000 ] - [ -0.0002075000000000, -0.0022749200000000, 0.0004584400000000 ] - [ -0.0010353500000000, 0.0005530700000000, -0.0010469200000000 ] - [ 0.0023858600000000, 0.0041278800000000, 0.0019031400000000 ] - [ 0.0002418400000000, 0.0000109100000000, -0.0002301500000000 ] - [ 0.0010368000000000, 0.0009816300000000, -0.0008630700000000 ] - [ 0.0664880200000000, 0.4143359800000000, 0.0499634600000000 ] - [ -0.0006124600000000, 0.0004718900000000, 0.0000114600000000 ] - [ 0.0055351000000000, 0.0030375900000000, 0.0020747000000000 ] - [ -0.0252064600000000, -0.0009168600000000, -0.0087683900000000 ] - [ 0.0001354000000000, 0.0006307200000000, -0.0003159900000000 ] - [ -0.0045112600000000, 0.0024994300000000, 0.0015325000000000 ] - [ 0.0003757800000000, 0.0002753700000000, 0.0006920200000000 ] - [ 0.0000033200000000, -0.0006046100000000, -0.0004242200000000 ] - [ -0.0005086000000000, -0.0005350900000000, 0.0001059400000000 ] - [ 0.0008123700000000, 0.0001819100000000, -0.0006914400000000 ] - [ -0.0000148100000000, 0.0025642300000000, 0.0007299600000000 ] - [ 0.0000451900000000, -0.0011287300000000, -0.0000355400000000 ] - [ 0.0006240300000000, -0.0010701600000000, 0.0003994100000000 ] - [ -0.0003395500000000, -0.0001234100000000, 0.0003852000000000 ] - [ -0.0003076700000000, 0.0002343100000000, 0.0002481200000000 ] - [ -0.0092586400000000, -0.0462162500000000, -0.0066270000000000 ] - [ -0.0001753500000000, 0.0000330700000000, 0.0005234600000000 ] - [ -0.0003882800000000, 0.0004980200000000, 0.0010257700000000 ] - [ 0.0014595600000000, 0.0024179400000000, 0.0001981500000000 ] - [ -0.0004421300000000, -0.0001671800000000, 0.0000313500000000 ] - [ 0.0003932100000000, -0.0011056000000000, 0.0004726600000000 ] - [ 0.0000158400000000, 0.0003520200000000, -0.0000340300000000 ] - [ -0.0012154500000000, -0.0000105700000000, -0.0000315900000000 ] - [ 0.0046177700000000, -0.0001395400000000, -0.0007270700000000 ] - [ 0.0001063400000000, 0.0002232600000000, -0.0001588100000000 ] - [ 0.0005601000000000, 0.0004463900000000, 0.0009123300000000 ] - [ -0.0006272700000000, -0.0006562600000000, -0.0004720000000000 ] - [ -0.0006459500000000, 0.0002038100000000, -0.0005094800000000 ] - [ -0.0003829400000000, 0.0002135400000000, -0.0004212800000000 ] - [ 0.0003465800000000, 0.0006806200000000, -0.0000317900000000 ] - [ 0.0000931300000000, 0.0007108900000000, -0.0004520400000000 ] - [ 0.0009127100000000, 0.0007395500000000, 0.0007196200000000 ] - [ -0.0000426000000000, 0.0028044800000000, 0.0002862500000000 ] - [ -0.0001562800000000, 0.0003441400000000, 0.0001535200000000 ] - [ 0.0007621300000000, -0.0002777600000000, 0.0011118500000000 ] - [ -0.0006105100000000, -0.0007032200000000, -0.0005852800000000 ] - [ -0.0002244700000000, 0.0005093700000000, -0.0010430900000000 ] - [ -0.0012454700000000, 0.0006901900000000, -0.0007282700000000 ] - [ -0.0007919800000000, 0.0003404000000000, 0.0000522700000000 ] - [ -0.0003343200000000, -0.0004471300000000, 0.0005889400000000 ] - [ 0.0250462600000000, -0.0195901100000000, 0.0133459000000000 ] - [ -0.0001227500000000, 0.0001150200000000, 0.0009824100000000 ] - [ -0.0012220800000000, -0.0045082700000000, 0.0004902700000000 ] - [ -0.0003524500000000, 0.0022030500000000, -0.0004827500000000 ] - [ -0.0002820700000000, -0.0001516300000000, -0.0004121700000000 ] - [ -0.0001883400000000, -0.0007076600000000, 0.0009477500000000 ] - [ -0.0011116300000000, -0.0001536000000000, 0.0025951500000000 ] - [ -0.0004182800000000, 0.0000219200000000, 0.0007959400000000 ] - [ 0.0002255100000000, -0.0012631400000000, -0.0002313500000000 ] - [ 0.0012446600000000, -0.0015122100000000, 0.0006524600000000 ] - [ 0.0003160600000000, -0.0008127900000000, 0.0001263300000000 ] - [ 0.0002186800000000, 0.0002128600000000, -0.0001907400000000 ] - [ -0.0006963500000000, -0.0021095200000000, 0.0002286500000000 ] - [ 0.0005903200000000, -0.0004241000000000, -0.0012147500000000 ] - [ -0.0147917800000000, -0.0116216200000000, 0.0186767700000000 ] - [ 0.0006196000000000, -0.0005258000000000, 0.0005643400000000 ] - [ 0.0002677700000000, -0.0026054400000000, -0.0006844900000000 ] - [ -0.0000225100000000, 0.0004637800000000, 0.0001091000000000 ] - [ 0.0010196500000000, -0.0013305900000000, 0.0000524300000000 ] - [ 0.0020822500000000, 0.0003994500000000, -0.0013141100000000 ] - [ 0.0038549800000000, 0.0112291200000000, -0.0002729200000000 ] - [ -0.0007043600000000, -0.0006732800000000, 0.0006026200000000 ] - [ -0.0000272100000000, 0.0009603500000000, 0.0003320300000000 ] - [ -0.0002239300000000, -0.0003288500000000, -0.0001484100000000 ] - [ 0.0043762900000000, -0.0024711500000000, -0.0233440300000000 ] - [ 0.0010614400000000, -0.0002796000000000, -0.0001007200000000 ] - [ 0.0000912300000000, -0.0006457500000000, -0.0006975100000000 ] - [ 0.0003793800000000, 0.0005257100000000, 0.0001527700000000 ] - [ 0.0012605100000000, 0.0016642200000000, 0.0033220400000000 ] - [ 0.0006291200000000, -0.0396711500000000, -0.0086242200000000 ] - [ -0.0003727100000000, -0.0006108100000000, -0.0003644000000000 ] - [ -0.0002118300000000, -0.0009142600000000, -0.0003770600000000 ] - [ -0.0000426400000000, 0.0000951100000000, 0.0001772200000000 ] - [ -0.0010346200000000, -0.0018333800000000, -0.0009910700000000 ] - [ -0.0000971200000000, 0.0001080900000000, 0.0002848700000000 ] - [ 0.0006042500000000, -0.0002437800000000, -0.0003105400000000 ] - [ 0.0005020800000000, -0.0011489300000000, -0.0010784400000000 ] - [ -0.0003849800000000, -0.0005253200000000, -0.0000696900000000 ] - [ -0.0003288600000000, -0.0001824300000000, -0.0003594000000000 ] - [ 0.0025969200000000, 0.0005002900000000, -0.0030602200000000 ] - [ -0.0002544200000000, 0.0005638900000000, 0.0001042500000000 ] - [ 0.0013771000000000, -0.0006762700000000, -0.0013542400000000 ] - [ -0.0004770100000000, -0.0004373100000000, 0.0005026400000000 ] - [ -0.0001364200000000, 0.0001133300000000, -0.0002268000000000 ] - [ 0.0000484000000000, 0.0005939200000000, 0.0003690500000000 ] - [ 0.0002069700000000, -0.0006399800000000, 0.0003885800000000 ] - [ -0.0018259200000000, -0.0034845600000000, -0.0020880300000000 ] - [ 0.0002799100000000, -0.0004729800000000, 0.0002717800000000 ] - [ -0.0009270400000000, -0.0010822500000000, 0.0005254200000000 ] - [ -0.0004081400000000, 0.0000507600000000, 0.0004966000000000 ] - [ -0.0000308500000000, -0.0002557200000000, -0.0003366000000000 ] - [ -0.0007656800000000, 0.0011691800000000, -0.0004546700000000 ] - [ 0.0001241300000000, 0.0001773100000000, 0.0003805400000000 ] - [ 0.0000164000000000, -0.0006244200000000, -0.0002735900000000 ] - [ -0.0021270400000000, -0.0012370700000000, -0.0000874700000000 ] - [ -0.0002851100000000, 0.0000116300000000, 0.0000374500000000 ] - [ -0.0034428300000000, -0.0035424200000000, -0.0003679700000000 ] - [ 0.0004338400000000, -0.0003613700000000, -0.0003457100000000 ] - [ -0.0000699300000000, 0.0004340000000000, -0.0005211800000000 ] - [ -0.0001717300000000, -0.0004954700000000, 0.0000970800000000 ] - [ -0.0009494700000000, -0.0031695800000000, 0.0009185400000000 ] - [ -0.0006190200000000, -0.0019087200000000, -0.0010107100000000 ] - [ 0.0000443400000000, -0.0010174600000000, 0.0005648400000000 ] - [ -0.0003473000000000, -0.0001306100000000, 0.0001784900000000 ] - [ 0.0000920000000000, -0.0003856500000000, 0.0002211800000000 ] - [ -0.0002076300000000, -0.0008566500000000, -0.0001893600000000 ] - [ 0.0002955500000000, -0.0009176600000000, -0.0000176200000000 ] - [ -0.0004510200000000, 0.0003109300000000, -0.0003804500000000 ] - [ -0.0006096300000000, -0.0011749700000000, -0.0009868700000000 ] - [ -0.0006294800000000, -0.0001937900000000, 0.0001111100000000 ] - [ -0.0025813500000000, -0.0002636300000000, -0.0002856800000000 ] - [ 0.0003661600000000, 0.0007237600000000, 0.0003577300000000 ] - [ -0.0006093900000000, -0.0001215700000000, -0.0002358100000000 ] - [ -0.0004601900000000, -0.0006516700000000, 0.0010421800000000 ] - [ -0.0002213600000000, -0.0000300200000000, -0.0004733600000000 ] - [ 0.0000648700000000, -0.0007262000000000, -0.0001211400000000 ] - [ -0.0006164800000000, -0.0002633200000000, -0.0003193300000000 ] - [ -0.0008876300000000, -0.0012025700000000, 0.0012729300000000 ] - [ -0.0001065900000000, -0.0011834000000000, 0.0010119000000000 ] - [ -0.0001409000000000, -0.0005912900000000, 0.0025823400000000 ] - [ -0.0000779800000000, 0.0009400400000000, 0.0001437800000000 ] - [ 0.0000669400000000, -0.0000714700000000, -0.0000829900000000 ] - [ 0.0002376700000000, 0.0002178900000000, 0.0006222400000000 ] - [ 0.0005146100000000, 0.0002071800000000, -0.0005741000000000 ] - [ 0.0003601200000000, -0.0000977600000000, -0.0001394500000000 ] - [ 0.0009303800000000, -0.0000998000000000, -0.0021308000000000 ] - [ 0.0001539900000000, 0.0000930700000000, -0.0001337100000000 ] - [ 0.0003392400000000, -0.0002630500000000, 0.0000778300000000 ] - [ -0.0001684100000000, 0.0002975600000000, -0.0001396000000000 ] - [ -0.0004630400000000, 0.0000606600000000, 0.0003485600000000 ] - [ 0.0005892900000000, 0.0000616100000000, 0.0002151600000000 ] - [ 0.0010509500000000, -0.0006619000000000, -0.0008532200000000 ] - [ -0.0001553000000000, -0.0013004100000000, 0.0003002700000000 ] - [ -0.0007095900000000, 0.0003252700000000, 0.0003028500000000 ] - [ -0.0001457500000000, 0.0001079300000000, 0.0000407400000000 ] - [ 0.0014148500000000, -0.0024655800000000, 0.0033266800000000 ] - [ 0.0002337900000000, -0.0006007100000000, 0.0001345600000000 ] - [ -0.0001215300000000, -0.0009192200000000, -0.0001481400000000 ] - [ 0.0001425300000000, 0.0004976300000000, -0.0003738800000000 ] - [ 0.0004689000000000, 0.0005277200000000, 0.0003091900000000 ] - [ 0.0000414300000000, 0.0001084200000000, -0.0002103500000000 ] - [ 0.0003729900000000, 0.0000098100000000, -0.0003582200000000 ] - [ -0.0047996000000000, 0.0031000300000000, -0.0004117500000000 ]- atom: 82 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0000912800000000, 0.0000185700000000, 0.0001131100000000 ] - [ -0.0000150500000000, 0.0000769200000000, -0.0000801400000000 ] - [ -0.0000680000000000, 0.0000910000000000, 0.0000047700000000 ] - [ -0.0000320100000000, 0.0001012500000000, 0.0000718100000000 ] - [ 0.0004588500000000, -0.0000309400000000, 0.0006933500000000 ] - [ 0.0002483000000000, -0.0000593300000000, 0.0002811700000000 ] - [ -0.0003314400000000, -0.0009432900000000, -0.0019940300000000 ] - [ -0.0003907600000000, -0.0002381600000000, -0.0025456800000000 ] - [ 0.0000542200000000, 0.0000703000000000, -0.0002991100000000 ] - [ -0.0001297400000000, -0.0000929800000000, 0.0005569900000000 ] - [ -0.0000995000000000, 0.0002369500000000, -0.0002851900000000 ] - [ 0.0004881800000000, 0.0002695000000000, 0.0000167600000000 ] - [ -0.0000272000000000, -0.0001048600000000, -0.0001987100000000 ] - [ -0.0000207100000000, -0.0000347600000000, -0.0002636700000000 ] - [ 0.0000772100000000, -0.0001293200000000, 0.0000486700000000 ] - [ -0.0000496600000000, -0.0001047200000000, -0.0000360000000000 ] - [ -0.0005544100000000, 0.0003294300000000, -0.0001700500000000 ] - [ 0.0010789200000000, 0.0010123800000000, 0.0010094300000000 ] - [ 0.0044342100000000, 0.0029092800000000, -0.0015212400000000 ] - [ 0.0001419700000000, -0.0002070600000000, -0.0004123500000000 ] - [ -0.0002129300000000, -0.0000468100000000, 0.0004400300000000 ] - [ -0.0007905800000000, -0.0001889700000000, -0.0012682900000000 ] - [ -0.0002082500000000, 0.0001530000000000, -0.0005095900000000 ] - [ 0.0000179400000000, -0.0004520100000000, 0.0004094300000000 ] - [ -0.0003246000000000, -0.0001149200000000, -0.0003002000000000 ] - [ 0.0001498700000000, 0.0001081600000000, -0.0003132600000000 ] - [ 0.0001796300000000, -0.0000880800000000, -0.0001063800000000 ] - [ 0.0036371200000000, -0.0029743900000000, -0.0006314500000000 ] - [ 0.0000405600000000, -0.0001476200000000, -0.0007622800000000 ] - [ -0.0000435500000000, -0.0000246500000000, 0.0001322400000000 ] - [ -0.0000573800000000, -0.0000195900000000, 0.0005284800000000 ] - [ 0.0002843300000000, 0.0001793800000000, -0.0004221400000000 ] - [ 0.0010990300000000, 0.0001588200000000, 0.0011167400000000 ] - [ -0.0001913200000000, 0.0003922500000000, -0.0022410500000000 ] - [ -0.0005311000000000, -0.0003530500000000, 0.0000731100000000 ] - [ 0.0007627800000000, 0.0009690000000000, -0.0005477300000000 ] - [ 0.0003209200000000, 0.0002963800000000, 0.0009129000000000 ] - [ -0.0051720600000000, 0.0041496500000000, 0.0097997100000000 ] - [ -0.0002409700000000, -0.0008232300000000, 0.0012672500000000 ] - [ -0.0006137800000000, 0.0011337300000000, -0.0018146700000000 ] - [ -0.0053859000000000, -0.0000002200000000, 0.0048922700000000 ] - [ -0.0006500800000000, 0.0032729400000000, -0.0034554700000000 ] - [ 0.0008363500000000, -0.0013547300000000, 0.0000394300000000 ] - [ 0.0006155100000000, 0.0012447800000000, -0.0006611000000000 ] - [ 0.0005931400000000, -0.0003946700000000, -0.0003796200000000 ] - [ -0.0000147200000000, -0.0000103700000000, 0.0004381900000000 ] - [ -0.0002007700000000, 0.0005785900000000, 0.0005089700000000 ] - [ -0.0005494700000000, 0.0004976500000000, -0.0006766600000000 ] - [ 0.0005872100000000, -0.0003941700000000, -0.0011763200000000 ] - [ -0.0093459100000000, -0.0491813800000000, 0.0649815100000000 ] - [ -0.0019613700000000, -0.0000758900000000, -0.0002600900000000 ] - [ 0.0017110500000000, -0.0011724800000000, -0.0008258100000000 ] - [ -0.0002302900000000, -0.0005892500000000, 0.0004763600000000 ] - [ -0.0005487000000000, -0.0002226100000000, 0.0004415300000000 ] - [ -0.0004327100000000, -0.0003452000000000, 0.0002213300000000 ] - [ 0.0146615100000000, 0.0713975100000000, 0.1055276500000000 ] - [ 0.0004145400000000, 0.0004160300000000, -0.0004192500000000 ] - [ -0.0001103300000000, 0.0001920300000000, -0.0002918000000000 ] - [ 0.0001841600000000, -0.0003903600000000, -0.0015133800000000 ] - [ 0.0004419500000000, 0.0006225900000000, 0.0007473000000000 ] - [ 0.0002020200000000, 0.0004756200000000, -0.0013572200000000 ] - [ -0.0007547300000000, -0.0001335800000000, 0.0000005400000000 ] - [ -0.0001405100000000, -0.0002111100000000, -0.0003782300000000 ] - [ -0.0005294500000000, -0.0003641700000000, 0.0003976300000000 ] - [ -0.0003023200000000, 0.0004318500000000, -0.0007801800000000 ] - [ -0.0004183100000000, 0.0006494500000000, -0.0000190900000000 ] - [ 0.0021360000000000, -0.0008425700000000, -0.0015591800000000 ] - [ 0.0002310300000000, 0.0001084100000000, -0.0006575700000000 ] - [ 0.0004132100000000, 0.0000593800000000, -0.0000200100000000 ] - [ -0.0002482800000000, 0.0004509700000000, -0.0009102600000000 ] - [ -0.0000955400000000, -0.0004866800000000, 0.0002715600000000 ] - [ -0.0015635500000000, -0.0006160100000000, 0.0006369000000000 ] - [ 0.0006551400000000, -0.0006356800000000, 0.0003142800000000 ] - [ 0.0006149800000000, -0.0000024800000000, 0.0000997700000000 ] - [ -0.0008984200000000, -0.0001366000000000, -0.0005871800000000 ] - [ -0.0000475000000000, -0.0004391100000000, -0.0009054900000000 ] - [ -0.0008791900000000, -0.0000693200000000, 0.0002804300000000 ] - [ -0.0002021600000000, -0.0004260800000000, -0.0006590000000000 ] - [ -0.0012446700000000, -0.0019946300000000, 0.0005154800000000 ] - [ 0.0001697900000000, -0.0005916800000000, -0.0006389800000000 ] - [ -0.0008162300000000, -0.0004173700000000, 0.0000555800000000 ] - [ -0.0139904400000000, -0.0417543600000000, -0.1764863800000000 ] - [ -0.0001879300000000, 0.0002311800000000, 0.0003851800000000 ] - [ 0.0005907400000000, 0.0003404500000000, -0.0003726800000000 ] - [ 0.0142914900000000, 0.0079019400000000, -0.0019147400000000 ] - [ 0.0002356100000000, 0.0003586700000000, -0.0001436200000000 ] - [ -0.0005872500000000, -0.0002056700000000, -0.0028434400000000 ] - [ -0.0001275400000000, -0.0004922300000000, 0.0012015200000000 ] - [ -0.0003856300000000, -0.0001961400000000, -0.0001661800000000 ] - [ 0.0001951400000000, 0.0002801000000000, 0.0003438100000000 ] - [ -0.0005108600000000, 0.0006710900000000, 0.0002501900000000 ] - [ -0.0002305900000000, -0.0012391200000000, 0.0016622400000000 ] - [ -0.0001913100000000, -0.0003771200000000, -0.0003125900000000 ] - [ 0.0001651500000000, -0.0002580900000000, 0.0005497400000000 ] - [ 0.0003495900000000, -0.0005290100000000, -0.0000497300000000 ] - [ -0.0001914000000000, 0.0002737400000000, 0.0004601100000000 ] - [ -0.0002076900000000, -0.0100657300000000, -0.0068252300000000 ] - [ -0.0001181400000000, -0.0002753400000000, 0.0001744800000000 ] - [ 0.0000377700000000, -0.0004163100000000, 0.0008628800000000 ] - [ 0.0005792300000000, -0.0005974000000000, 0.0017001900000000 ] - [ -0.0001545600000000, 0.0004091400000000, 0.0001621500000000 ] - [ 0.0002155300000000, -0.0002686100000000, 0.0001128300000000 ] - [ 0.0011838600000000, 0.0001504900000000, 0.0003164200000000 ] - [ -0.0003173200000000, -0.0002128600000000, 0.0001799100000000 ] - [ -0.0003270300000000, -0.0007901400000000, -0.0020894100000000 ] - [ 0.0002218000000000, 0.0002071800000000, -0.0000740400000000 ] - [ -0.0001226900000000, 0.0001662700000000, 0.0001727100000000 ] - [ 0.0003113500000000, 0.0000472500000000, -0.0006327700000000 ] - [ 0.0007131200000000, -0.0001129700000000, 0.0009316200000000 ] - [ -0.0004276300000000, -0.0003696500000000, 0.0000130700000000 ] - [ 0.0004980300000000, 0.0003862100000000, 0.0002343100000000 ] - [ 0.0002450800000000, 0.0000039500000000, 0.0001841200000000 ] - [ 0.0003476500000000, -0.0001218300000000, 0.0004269900000000 ] - [ -0.0011239400000000, 0.0004797500000000, -0.0006816400000000 ] - [ -0.0000597000000000, -0.0004748100000000, -0.0003900300000000 ] - [ 0.0004636600000000, -0.0019710400000000, 0.0000611400000000 ] - [ -0.0003334800000000, -0.0001639700000000, -0.0003482600000000 ] - [ 0.0000246300000000, 0.0001956200000000, -0.0002602000000000 ] - [ 0.0000738600000000, 0.0004068300000000, -0.0000536200000000 ] - [ -0.0004911800000000, 0.0002330500000000, 0.0003303400000000 ] - [ -0.0002106200000000, 0.0002162500000000, 0.0002605200000000 ] - [ 0.0077934400000000, -0.0135670100000000, -0.0018939000000000 ] - [ -0.0002217700000000, -0.0005942800000000, 0.0020842200000000 ] - [ -0.0000656500000000, 0.0010552200000000, -0.0009886100000000 ] - [ 0.0003090000000000, 0.0004265600000000, -0.0001619300000000 ] - [ -0.0002526800000000, -0.0002223900000000, 0.0000833700000000 ] - [ -0.0000675000000000, -0.0005504500000000, 0.0006340500000000 ] - [ -0.0000864400000000, -0.0005671100000000, 0.0008301000000000 ] - [ -0.0002352100000000, -0.0001376300000000, 0.0005712800000000 ] - [ 0.0005329800000000, -0.0000846400000000, 0.0002131100000000 ] - [ -0.0000505000000000, -0.0005040800000000, -0.0003135400000000 ] - [ 0.0003755500000000, -0.0001955600000000, 0.0003494000000000 ] - [ -0.0006955400000000, 0.0014249100000000, -0.0001213300000000 ] - [ 0.0012776800000000, -0.0001283200000000, -0.0004163400000000 ] - [ 0.0002105300000000, 0.0000959600000000, -0.0008980100000000 ] - [ -0.0064515500000000, -0.0130687700000000, -0.0045041800000000 ] - [ 0.0000716700000000, -0.0002079200000000, -0.0001232500000000 ] - [ 0.0000208600000000, -0.0002306000000000, -0.0001384100000000 ] - [ -0.0004601500000000, 0.0002881600000000, 0.0011973000000000 ] - [ 0.0002720600000000, 0.0000217500000000, 0.0001565100000000 ] - [ -0.0016734300000000, 0.0007407400000000, 0.0005288800000000 ] - [ -0.0011406900000000, -0.0011832100000000, -0.0023441300000000 ] - [ -0.0005991500000000, -0.0000126800000000, 0.0002107900000000 ] - [ -0.0006362200000000, 0.0005736900000000, -0.0002593400000000 ] - [ -0.0001642500000000, -0.0003867400000000, -0.0001525600000000 ] - [ -0.0025202800000000, 0.0196604200000000, 0.0168755600000000 ] - [ -0.0004637900000000, -0.0001430900000000, -0.0003285400000000 ] - [ 0.0005063200000000, 0.0008261500000000, 0.0001241100000000 ] - [ 0.0002589000000000, 0.0004352000000000, -0.0000541800000000 ] - [ -0.0001553000000000, -0.0013304000000000, 0.0010499200000000 ] - [ 0.0005859400000000, 0.0270456500000000, -0.0000066300000000 ] - [ -0.0000915300000000, -0.0003450800000000, 0.0000345400000000 ] - [ -0.0001982600000000, 0.0000194300000000, -0.0003763800000000 ] - [ 0.0000636300000000, 0.0007336100000000, 0.0003491100000000 ] - [ -0.0000258400000000, 0.0007429000000000, 0.0006003200000000 ] - [ -0.0000580800000000, 0.0004174300000000, 0.0004449800000000 ] - [ 0.0006698800000000, -0.0000577400000000, -0.0001529200000000 ] - [ 0.0001966200000000, 0.0008643700000000, -0.0002631000000000 ] - [ -0.0003287600000000, -0.0003165900000000, 0.0000031900000000 ] - [ -0.0002592500000000, 0.0000446700000000, -0.0008067500000000 ] - [ -0.0016203000000000, -0.0000616700000000, 0.0007907200000000 ] - [ 0.0002538800000000, 0.0002828700000000, 0.0014419400000000 ] - [ -0.0001232000000000, 0.0005169800000000, -0.0002125200000000 ] - [ -0.0004031700000000, 0.0002589500000000, 0.0001688100000000 ] - [ 0.0001342200000000, -0.0005476800000000, -0.0001288000000000 ] - [ 0.0004568100000000, -0.0005024000000000, 0.0001703900000000 ] - [ -0.0000011800000000, -0.0003118800000000, 0.0005855200000000 ] - [ 0.0003954200000000, 0.0016884200000000, 0.0012247700000000 ] - [ 0.0002853400000000, -0.0003003900000000, 0.0003234600000000 ] - [ 0.0000413400000000, -0.0002797600000000, -0.0009406700000000 ] - [ -0.0002423100000000, 0.0001856600000000, 0.0002287900000000 ] - [ 0.0001999600000000, 0.0002551600000000, -0.0003488800000000 ] - [ 0.0004940900000000, 0.0004094900000000, 0.0003552900000000 ] - [ 0.0002046400000000, -0.0004084900000000, 0.0001506500000000 ] - [ 0.0009398400000000, 0.0002555500000000, 0.0003204800000000 ] - [ 0.0000180400000000, 0.0000905600000000, -0.0000423700000000 ] - [ -0.0002529500000000, 0.0003981000000000, 0.0004620400000000 ] - [ 0.0001520900000000, 0.0002825800000000, -0.0005887400000000 ] - [ 0.0002037700000000, 0.0002064200000000, 0.0010389900000000 ] - [ 0.0002242300000000, 0.0002122500000000, -0.0000659800000000 ] - [ 0.0004440500000000, -0.0001678800000000, 0.0002368700000000 ] - [ -0.0000520900000000, 0.0003233600000000, -0.0007074400000000 ] - [ 0.0003009900000000, 0.0002467500000000, -0.0003665800000000 ] - [ 0.0004333500000000, 0.0003499900000000, -0.0005768800000000 ] - [ 0.0004722300000000, 0.0002054600000000, -0.0000202300000000 ] - [ -0.0002335700000000, 0.0003333900000000, 0.0004480400000000 ] - [ -0.0002641400000000, -0.0003096800000000, -0.0001319500000000 ] - [ 0.0002958800000000, -0.0007906200000000, -0.0000837600000000 ] - [ -0.0002967300000000, 0.0001841600000000, 0.0006719800000000 ] - [ 0.0001090200000000, 0.0005878400000000, -0.0010313900000000 ] - [ -0.0002768200000000, 0.0003243100000000, 0.0003399100000000 ] - [ -0.0007635200000000, 0.0003700900000000, -0.0001858600000000 ] - [ -0.0001216400000000, 0.0000505100000000, 0.0010244700000000 ] - [ -0.0006014900000000, 0.0000939700000000, -0.0001509200000000 ] - [ -0.0000398900000000, -0.0001969100000000, 0.0004012500000000 ] - [ -0.0002976100000000, -0.0002493500000000, -0.0001158700000000 ] - [ -0.0000260400000000, 0.0007856400000000, -0.0002252100000000 ] - [ -0.0002480000000000, -0.0001024700000000, -0.0004867300000000 ] - [ -0.0000648300000000, -0.0004309200000000, 0.0003103800000000 ] - [ 0.0002340800000000, -0.0002252900000000, 0.0002640400000000 ] - [ -0.0003673800000000, -0.0003417700000000, 0.0011746000000000 ] - [ 0.0006569400000000, -0.0001859500000000, 0.0005698000000000 ] - [ -0.0000287200000000, -0.0003899500000000, -0.0002723000000000 ] - [ 0.0003967500000000, -0.0003169500000000, -0.0000653500000000 ] - [ -0.0006959000000000, 0.0011260500000000, 0.0000800100000000 ] - [ 0.0005776800000000, -0.0002588600000000, 0.0001396500000000 ] - [ -0.0000861700000000, 0.0000832100000000, 0.0003278000000000 ] - [ 0.0001847300000000, 0.0003768800000000, -0.0000694600000000 ] - [ 0.0003458800000000, -0.0003138000000000, 0.0006969100000000 ] - [ 0.0001542500000000, -0.0007647500000000, -0.0003524900000000 ] - [ -0.0000971400000000, 0.0003074400000000, 0.0000569600000000 ] - [ 0.0001027300000000, -0.0002308600000000, 0.0006304700000000 ] - [ -0.0000311000000000, 0.0004460400000000, -0.0002594200000000 ] - [ -0.0000141200000000, -0.0006076900000000, 0.0003789600000000 ] - [ -0.0003088700000000, -0.0001035900000000, 0.0002071600000000 ] - [ -0.0001187500000000, 0.0003590900000000, 0.0004595900000000 ] - [ -0.0003223000000000, -0.0005936700000000, -0.0004591400000000 ] - [ 0.0001544900000000, -0.0003588600000000, 0.0003351400000000 ] - [ -0.0002951600000000, -0.0006169800000000, 0.0002579500000000 ] - [ 0.0003990600000000, 0.0002864700000000, -0.0002771100000000 ] - [ 0.0002571900000000, 0.0005253200000000, 0.0003978400000000 ] - [ 0.0001771100000000, 0.0003325500000000, -0.0002262200000000 ] - [ 0.0003366900000000, 0.0003304100000000, -0.0000214600000000 ] - [ 0.0013944700000000, -0.0011288400000000, -0.0010940400000000 ]- atom: 82 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0002131200000000, 0.0001012400000000, -0.0002338100000000 ] - [ -0.0001056200000000, 0.0000452700000000, 0.0002002600000000 ] - [ 0.0001892000000000, 0.0000309400000000, -0.0001253500000000 ] - [ -0.0000882900000000, 0.0000224100000000, 0.0000467700000000 ] - [ -0.0005707500000000, -0.0000925900000000, -0.0008120500000000 ] - [ -0.0001288300000000, -0.0000573300000000, -0.0001622800000000 ] - [ 0.0004546500000000, 0.0008191800000000, 0.0021225100000000 ] - [ 0.0002712700000000, 0.0001140700000000, 0.0024420200000000 ] - [ 0.0000663700000000, 0.0000511100000000, 0.0001798900000000 ] - [ 0.0000082100000000, 0.0002233200000000, -0.0004388800000000 ] - [ 0.0002186900000000, -0.0001168500000000, 0.0001617600000000 ] - [ -0.0006086300000000, -0.0001490400000000, 0.0001009200000000 ] - [ -0.0000954100000000, -0.0000169900000000, 0.0000789700000000 ] - [ 0.0001427200000000, -0.0000867100000000, 0.0003843500000000 ] - [ 0.0000451300000000, 0.0000087600000000, 0.0000712000000000 ] - [ -0.0000715900000000, -0.0000162100000000, -0.0000830800000000 ] - [ 0.0004809500000000, -0.0004084400000000, 0.0002405900000000 ] - [ -0.0010030200000000, -0.0010788500000000, -0.0010989200000000 ] - [ -0.0043801200000000, -0.0029019100000000, 0.0015729400000000 ] - [ -0.0002141500000000, 0.0002771200000000, 0.0003398600000000 ] - [ 0.0002886000000000, 0.0001178900000000, -0.0003663500000000 ] - [ 0.0007166000000000, 0.0002555100000000, 0.0011942700000000 ] - [ 0.0001344200000000, -0.0002229600000000, 0.0005815400000000 ] - [ 0.0000532000000000, 0.0003898800000000, -0.0004886900000000 ] - [ 0.0002539100000000, 0.0000485100000000, 0.0003778900000000 ] - [ -0.0000760100000000, -0.0001781200000000, 0.0002385600000000 ] - [ -0.0001083900000000, 0.0001626200000000, 0.0001809600000000 ] - [ -0.0037251300000000, 0.0030610400000000, 0.0005695200000000 ] - [ 0.0000330100000000, 0.0002231900000000, 0.0008410400000000 ] - [ -0.0000308300000000, 0.0000978000000000, -0.0002067900000000 ] - [ -0.0000099600000000, -0.0000521000000000, -0.0004558700000000 ] - [ -0.0002137600000000, -0.0002540900000000, 0.0003484300000000 ] - [ -0.0003408800000000, 0.0010101500000000, -0.0008320300000000 ] - [ -0.0000989000000000, 0.0003667400000000, 0.0010635000000000 ] - [ 0.0008267300000000, -0.0004006300000000, -0.0012518400000000 ] - [ -0.0004759400000000, -0.0002076000000000, 0.0017155000000000 ] - [ 0.0004356700000000, -0.0000062000000000, 0.0002646600000000 ] - [ 0.0040431700000000, -0.0045022100000000, -0.0090879700000000 ] - [ -0.0005146100000000, 0.0005473100000000, -0.0000890700000000 ] - [ -0.0005663800000000, -0.0019009900000000, 0.0020948400000000 ] - [ 0.0050276700000000, 0.0011832600000000, -0.0056323300000000 ] - [ -0.0001108200000000, -0.0020986300000000, 0.0031683500000000 ] - [ -0.0000794300000000, 0.0001858000000000, -0.0003255000000000 ] - [ 0.0001374300000000, -0.0015260600000000, -0.0005222200000000 ] - [ 0.0005835000000000, 0.0001126700000000, -0.0003853000000000 ] - [ 0.0011993500000000, 0.0007735700000000, -0.0001470200000000 ] - [ 0.0004914600000000, 0.0006004600000000, 0.0002506800000000 ] - [ -0.0006289500000000, 0.0002609800000000, 0.0003922200000000 ] - [ 0.0005919100000000, -0.0003643300000000, 0.0008890000000000 ] - [ 0.0105477800000000, 0.0496109000000000, -0.0634000900000000 ] - [ 0.0007850000000000, 0.0003551900000000, -0.0004986200000000 ] - [ -0.0024804500000000, 0.0014639200000000, -0.0003516300000000 ] - [ -0.0000627200000000, -0.0005861700000000, 0.0002768000000000 ] - [ -0.0002097100000000, -0.0009568200000000, -0.0001601200000000 ] - [ 0.0001494500000000, -0.0004136000000000, 0.0009611900000000 ] - [ -0.0151650700000000, -0.0762873200000000, -0.1074971800000000 ] - [ 0.0003348300000000, 0.0007693600000000, 0.0007078100000000 ] - [ -0.0001736100000000, 0.0005679600000000, -0.0008887200000000 ] - [ 0.0001036400000000, -0.0003638100000000, 0.0003366800000000 ] - [ -0.0001565100000000, 0.0001338000000000, 0.0004292000000000 ] - [ 0.0005572200000000, -0.0001891800000000, 0.0025341000000000 ] - [ -0.0004186500000000, -0.0001510000000000, 0.0007585700000000 ] - [ -0.0006218700000000, -0.0000732400000000, 0.0015604000000000 ] - [ -0.0006462000000000, -0.0003939100000000, -0.0001132000000000 ] - [ 0.0000192400000000, 0.0007456200000000, 0.0000194200000000 ] - [ -0.0003357600000000, 0.0005309400000000, -0.0002687300000000 ] - [ -0.0013854600000000, -0.0003396500000000, 0.0012800600000000 ] - [ 0.0005249100000000, -0.0003901100000000, -0.0005209500000000 ] - [ 0.0007659700000000, -0.0003525400000000, -0.0007434200000000 ] - [ 0.0014291900000000, 0.0003018700000000, 0.0011988100000000 ] - [ 0.0003785700000000, 0.0016756100000000, 0.0004904500000000 ] - [ 0.0003876300000000, 0.0013878800000000, -0.0009245200000000 ] - [ 0.0005235000000000, -0.0001167700000000, -0.0006006800000000 ] - [ 0.0005672800000000, 0.0002878500000000, 0.0006587100000000 ] - [ -0.0002803500000000, 0.0004266400000000, -0.0001686500000000 ] - [ -0.0007199800000000, 0.0007324600000000, -0.0002614000000000 ] - [ 0.0005941700000000, -0.0011128400000000, 0.0004747400000000 ] - [ -0.0005582400000000, -0.0007484300000000, 0.0009453400000000 ] - [ 0.0009634700000000, 0.0012457800000000, 0.0006699300000000 ] - [ 0.0001199300000000, -0.0005824900000000, -0.0001191600000000 ] - [ 0.0004500900000000, -0.0000514600000000, -0.0006920600000000 ] - [ 0.0149167100000000, 0.0469922600000000, 0.1778054000000000 ] - [ -0.0004420300000000, 0.0001564400000000, 0.0000999800000000 ] - [ -0.0010151700000000, 0.0003966700000000, 0.0007911800000000 ] - [ -0.0132753100000000, -0.0081210000000000, 0.0013775100000000 ] - [ 0.0001932900000000, 0.0003790400000000, -0.0002835900000000 ] - [ -0.0001583400000000, -0.0002316800000000, 0.0024477500000000 ] - [ -0.0003799000000000, 0.0006083000000000, -0.0025111800000000 ] - [ -0.0000188000000000, -0.0005415500000000, -0.0002771400000000 ] - [ -0.0000825000000000, 0.0002249200000000, 0.0009638600000000 ] - [ 0.0008929400000000, -0.0000389900000000, -0.0007360200000000 ] - [ -0.0005015300000000, 0.0016616600000000, -0.0012224700000000 ] - [ -0.0002439800000000, -0.0003608900000000, -0.0001011000000000 ] - [ 0.0002188200000000, -0.0002335700000000, 0.0000840200000000 ] - [ 0.0000648700000000, -0.0002094700000000, 0.0004850200000000 ] - [ -0.0002534900000000, 0.0001298500000000, 0.0002767600000000 ] - [ 0.0008361600000000, 0.0094054800000000, 0.0072760200000000 ] - [ 0.0002337400000000, -0.0002292300000000, -0.0014803300000000 ] - [ -0.0005336500000000, 0.0008058600000000, -0.0002247800000000 ] - [ -0.0001929600000000, 0.0010914600000000, -0.0023319600000000 ] - [ -0.0003396900000000, 0.0002251000000000, 0.0002236800000000 ] - [ 0.0002545000000000, -0.0003660500000000, 0.0002587400000000 ] - [ 0.0001236900000000, -0.0000333200000000, 0.0001884300000000 ] - [ -0.0009932800000000, -0.0002993800000000, -0.0000661700000000 ] - [ -0.0002986500000000, 0.0012737400000000, 0.0024684700000000 ] - [ 0.0002614400000000, 0.0001718000000000, -0.0005599200000000 ] - [ 0.0006345300000000, -0.0000503900000000, 0.0011400700000000 ] - [ 0.0001242700000000, 0.0003581100000000, -0.0001064200000000 ] - [ -0.0002120000000000, -0.0002820800000000, -0.0003050000000000 ] - [ -0.0003098500000000, -0.0000548300000000, -0.0004443500000000 ] - [ 0.0002396000000000, 0.0000348100000000, -0.0006673500000000 ] - [ 0.0003887400000000, 0.0003740000000000, -0.0006682000000000 ] - [ 0.0009622900000000, 0.0006355100000000, -0.0003097200000000 ] - [ 0.0007374900000000, 0.0000197800000000, 0.0013168900000000 ] - [ -0.0005764100000000, -0.0000202400000000, 0.0000021700000000 ] - [ 0.0000438600000000, 0.0006639600000000, -0.0001748000000000 ] - [ -0.0002995700000000, -0.0002167700000000, -0.0001359700000000 ] - [ -0.0001409700000000, 0.0003179100000000, -0.0010501800000000 ] - [ -0.0008134900000000, 0.0000313200000000, 0.0004667300000000 ] - [ -0.0008130400000000, 0.0002783000000000, -0.0004443600000000 ] - [ -0.0001878500000000, 0.0002296900000000, 0.0004771200000000 ] - [ -0.0091633800000000, 0.0138046100000000, 0.0013962900000000 ] - [ 0.0001062600000000, 0.0000810400000000, -0.0007808700000000 ] - [ -0.0004178800000000, -0.0014401500000000, 0.0003551900000000 ] - [ -0.0004245500000000, 0.0008866000000000, -0.0003435800000000 ] - [ -0.0001793800000000, -0.0002000400000000, -0.0008208600000000 ] - [ 0.0005031600000000, 0.0001323500000000, 0.0001031200000000 ] - [ 0.0007126200000000, 0.0001803400000000, -0.0003289900000000 ] - [ -0.0002791600000000, 0.0000210400000000, 0.0007402000000000 ] - [ 0.0001986900000000, -0.0003363300000000, 0.0002206000000000 ] - [ -0.0003598000000000, 0.0000607700000000, -0.0004212600000000 ] - [ 0.0003609200000000, -0.0002325500000000, 0.0000827000000000 ] - [ 0.0001873800000000, -0.0001227800000000, 0.0000065000000000 ] - [ 0.0000205100000000, -0.0003795800000000, 0.0003020000000000 ] - [ 0.0002969300000000, -0.0002124600000000, -0.0004059900000000 ] - [ 0.0070828600000000, 0.0138073800000000, 0.0041482300000000 ] - [ 0.0002981400000000, -0.0004253300000000, 0.0005947800000000 ] - [ 0.0000962200000000, -0.0010887600000000, -0.0003749800000000 ] - [ 0.0000506600000000, 0.0003465900000000, -0.0006758000000000 ] - [ 0.0001418000000000, -0.0004646700000000, 0.0005798400000000 ] - [ 0.0020852700000000, -0.0002921000000000, -0.0012701700000000 ] - [ 0.0010464700000000, -0.0000905800000000, 0.0028560700000000 ] - [ -0.0007015100000000, -0.0001038800000000, 0.0003028800000000 ] - [ 0.0002048100000000, 0.0001616800000000, 0.0006885300000000 ] - [ -0.0002263100000000, -0.0002491100000000, -0.0003456500000000 ] - [ 0.0031721100000000, -0.0208750200000000, -0.0170270200000000 ] - [ -0.0000416900000000, -0.0011648700000000, 0.0004450100000000 ] - [ 0.0001231700000000, -0.0003333200000000, -0.0005193300000000 ] - [ 0.0002493800000000, 0.0008697600000000, 0.0001712200000000 ] - [ 0.0005589400000000, 0.0020603300000000, -0.0014849100000000 ] - [ 0.0001473800000000, -0.0263886400000000, -0.0003241600000000 ] - [ -0.0004040900000000, -0.0002903200000000, -0.0004228700000000 ] - [ -0.0001880600000000, -0.0005139200000000, -0.0002561900000000 ] - [ 0.0000506600000000, 0.0005734700000000, 0.0001653300000000 ] - [ -0.0006094900000000, -0.0003611300000000, -0.0001145100000000 ] - [ -0.0003766100000000, 0.0003154200000000, -0.0000224700000000 ] - [ 0.0006302300000000, -0.0000581100000000, -0.0003624000000000 ] - [ 0.0002502400000000, -0.0001370100000000, -0.0001393700000000 ] - [ -0.0004076700000000, -0.0001247100000000, -0.0004145000000000 ] - [ -0.0002495000000000, 0.0000686400000000, -0.0004940100000000 ] - [ 0.0012020800000000, -0.0006709300000000, -0.0012293700000000 ] - [ -0.0001412500000000, 0.0002271700000000, -0.0001408200000000 ] - [ 0.0005224300000000, 0.0001155000000000, -0.0002955200000000 ] - [ -0.0003343900000000, 0.0001563900000000, 0.0002672200000000 ] - [ -0.0005794300000000, -0.0001881300000000, -0.0002720700000000 ] - [ -0.0000680000000000, 0.0000154200000000, 0.0004597600000000 ] - [ 0.0004148000000000, -0.0004215300000000, -0.0001447900000000 ] - [ -0.0008448600000000, -0.0012940500000000, -0.0004938400000000 ] - [ 0.0003485600000000, -0.0002037200000000, 0.0000700500000000 ] - [ 0.0000735100000000, -0.0002349900000000, -0.0003665700000000 ] - [ -0.0002424700000000, 0.0001953800000000, 0.0004053900000000 ] - [ 0.0001921600000000, 0.0002459500000000, -0.0002864300000000 ] - [ -0.0009895900000000, 0.0002300900000000, 0.0000291700000000 ] - [ 0.0002932100000000, -0.0002281200000000, 0.0002379000000000 ] - [ 0.0003650800000000, -0.0001439600000000, 0.0001916300000000 ] - [ -0.0013283400000000, -0.0005982900000000, 0.0001552900000000 ] - [ -0.0003862600000000, 0.0001021300000000, -0.0000738400000000 ] - [ 0.0003403300000000, 0.0001001700000000, -0.0000443300000000 ] - [ 0.0003072500000000, -0.0000932800000000, 0.0002626900000000 ] - [ 0.0002251000000000, 0.0001884600000000, -0.0006676800000000 ] - [ 0.0000420000000000, -0.0002122200000000, 0.0004006000000000 ] - [ -0.0006855900000000, -0.0007519200000000, 0.0002774000000000 ] - [ 0.0004347100000000, 0.0001661900000000, -0.0000710500000000 ] - [ 0.0002002400000000, 0.0000420500000000, 0.0000751000000000 ] - [ 0.0008291100000000, 0.0003091600000000, 0.0001345700000000 ] - [ -0.0001407800000000, 0.0001426200000000, 0.0001834000000000 ] - [ -0.0003687300000000, -0.0001761300000000, -0.0002467300000000 ] - [ 0.0002204500000000, -0.0005155600000000, -0.0000309400000000 ] - [ -0.0003389300000000, -0.0005624000000000, -0.0011592700000000 ] - [ -0.0002261900000000, -0.0000860000000000, -0.0002816900000000 ] - [ -0.0004542200000000, 0.0001174800000000, 0.0000712400000000 ] - [ -0.0005437000000000, 0.0001405000000000, 0.0000701500000000 ] - [ -0.0002878200000000, 0.0003883400000000, -0.0002898800000000 ] - [ -0.0007085300000000, 0.0000224900000000, -0.0003606800000000 ] - [ -0.0000770500000000, -0.0003179700000000, 0.0009062700000000 ] - [ -0.0001902400000000, -0.0001311900000000, -0.0005220300000000 ] - [ -0.0000865600000000, 0.0005149200000000, -0.0002860300000000 ] - [ -0.0001927600000000, -0.0003102700000000, -0.0002489100000000 ] - [ 0.0005146900000000, 0.0000325600000000, 0.0004240000000000 ] - [ 0.0004016700000000, -0.0001611400000000, 0.0002294100000000 ] - [ -0.0001386500000000, 0.0002249800000000, 0.0001351300000000 ] - [ 0.0000713600000000, -0.0002070200000000, -0.0001169400000000 ] - [ -0.0003602100000000, -0.0000678500000000, -0.0004582800000000 ] - [ 0.0003366800000000, -0.0001205900000000, 0.0004811300000000 ] - [ 0.0001850400000000, 0.0001741000000000, -0.0001966500000000 ] - [ 0.0007267200000000, -0.0002500900000000, -0.0002561700000000 ] - [ 0.0006028300000000, -0.0002013500000000, -0.0016421200000000 ] - [ 0.0003055200000000, 0.0002608400000000, -0.0003140500000000 ] - [ 0.0000404800000000, -0.0003231200000000, -0.0002034600000000 ] - [ -0.0000404600000000, -0.0005357100000000, -0.0001563200000000 ] - [ -0.0002784700000000, 0.0003271200000000, 0.0004223800000000 ] - [ 0.0003201800000000, -0.0002020000000000, 0.0001049100000000 ] - [ 0.0004477600000000, -0.0000125500000000, -0.0004785600000000 ] - [ -0.0001039900000000, -0.0006995600000000, 0.0001308100000000 ] - [ -0.0009988000000000, -0.0000103200000000, 0.0002964200000000 ] - [ -0.0002694900000000, 0.0003779700000000, -0.0000057800000000 ] - [ -0.0000660700000000, -0.0000455600000000, -0.0000347300000000 ] - [ 0.0002899200000000, -0.0003785500000000, 0.0000649600000000 ] - [ -0.0002207900000000, -0.0006925400000000, -0.0001449600000000 ] - [ 0.0002361600000000, 0.0001906300000000, -0.0000939900000000 ] - [ 0.0002481600000000, 0.0007768400000000, -0.0002854100000000 ] - [ 0.0002194000000000, 0.0004011300000000, -0.0002219500000000 ] - [ 0.0003981200000000, 0.0001114600000000, -0.0003886300000000 ] - [ -0.0019010600000000, 0.0005110200000000, 0.0007053400000000 ]- atom: 84 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0004981900000000, -0.0011303300000000, 0.0004334300000000 ] - [ -0.0001159700000000, 0.0000842600000000, -0.0005148000000000 ] - [ -0.0000765100000000, 0.0000305100000000, -0.0000838500000000 ] - [ -0.0004591100000000, 0.0000838900000000, 0.0001294300000000 ] - [ -0.0017113300000000, -0.0002585700000000, -0.0000782200000000 ] - [ 0.0010894400000000, -0.0010653200000000, 0.0004891400000000 ] - [ -0.0002641200000000, 0.0000507100000000, -0.0008897700000000 ] - [ 0.0001829300000000, 0.0002787000000000, 0.0003653300000000 ] - [ 0.0000026700000000, -0.0000182000000000, -0.0001433900000000 ] - [ -0.0000536900000000, 0.0001969500000000, 0.0001113400000000 ] - [ 0.0030768600000000, 0.0005674500000000, -0.0005717300000000 ] - [ 0.0002187300000000, 0.0002508600000000, -0.0001318000000000 ] - [ 0.0000381800000000, -0.0001818100000000, -0.0001516000000000 ] - [ -0.0001410800000000, -0.0000387600000000, 0.0000262400000000 ] - [ 0.0000211200000000, -0.0000615700000000, 0.0000394400000000 ] - [ 0.0000410400000000, 0.0000204300000000, 0.0001626800000000 ] - [ 0.0106525400000000, 0.0068583000000000, -0.0000818500000000 ] - [ 0.0007390800000000, 0.0003731500000000, -0.0004143000000000 ] - [ -0.0018849700000000, 0.0014777500000000, 0.0017583100000000 ] - [ -0.0006251700000000, -0.0001931800000000, -0.0001918900000000 ] - [ -0.0012867100000000, 0.0006591900000000, 0.0012366600000000 ] - [ -0.0004720100000000, 0.0001330300000000, -0.0002523400000000 ] - [ 0.0005043700000000, -0.0003958700000000, 0.0003739700000000 ] - [ -0.0003518600000000, -0.0002577200000000, 0.0002675500000000 ] - [ -0.0003880100000000, -0.0001733500000000, -0.0002272700000000 ] - [ -0.0013431800000000, 0.0005455300000000, -0.0007669400000000 ] - [ 0.0004025300000000, -0.0001714000000000, -0.0001763100000000 ] - [ -0.0010408100000000, -0.0026002600000000, -0.0030440500000000 ] - [ 0.0006050700000000, -0.0003455100000000, -0.0002561100000000 ] - [ 0.0007448300000000, 0.0005165200000000, 0.0000536900000000 ] - [ -0.0004359200000000, -0.0001869800000000, 0.0001182500000000 ] - [ 0.0005332300000000, 0.0002660300000000, -0.0005342000000000 ] - [ -0.0012116900000000, 0.0012556800000000, 0.0001857100000000 ] - [ -0.0007304100000000, 0.0000330600000000, -0.0002942000000000 ] - [ -0.0016928300000000, -0.0004417800000000, -0.0003407100000000 ] - [ -0.0017672900000000, -0.0003429200000000, 0.0013524200000000 ] - [ -0.0000588500000000, 0.0043221200000000, 0.0018963800000000 ] - [ 0.0101632800000000, 0.0067682200000000, 0.0053518900000000 ] - [ -0.0010013700000000, -0.0000086800000000, 0.0006444900000000 ] - [ -0.0018652100000000, -0.0008529700000000, 0.0020318500000000 ] - [ 0.1676968000000000, 0.0169555000000000, 0.1799687800000000 ] - [ -0.0004112900000000, 0.0010986000000000, -0.0008806200000000 ] - [ -0.0001816800000000, -0.0005011800000000, 0.0001256400000000 ] - [ 0.0003014100000000, 0.0000465600000000, -0.0009590600000000 ] - [ 0.0006443600000000, -0.0006064000000000, -0.0001860900000000 ] - [ -0.0005398500000000, 0.0002938700000000, 0.0001092100000000 ] - [ -0.0002594700000000, 0.0004817200000000, 0.0010676800000000 ] - [ -0.0009473900000000, -0.0000408300000000, -0.0013929300000000 ] - [ -0.0006094200000000, -0.0006349600000000, -0.0000387900000000 ] - [ -0.0147212200000000, 0.0067324800000000, -0.0111843600000000 ] - [ -0.0016663200000000, 0.0000880400000000, -0.0003049400000000 ] - [ -0.0013922000000000, 0.0005227500000000, -0.0003058300000000 ] - [ 0.0011520200000000, -0.0009277800000000, 0.0004784100000000 ] - [ -0.0066421900000000, 0.0062437500000000, 0.0008522000000000 ] - [ -0.0006706200000000, -0.0021381200000000, -0.0012326800000000 ] - [ 0.0013583800000000, 0.0046757500000000, 0.0015718400000000 ] - [ 0.0009061300000000, 0.0004706300000000, -0.0005473300000000 ] - [ 0.0001690200000000, 0.0002976100000000, -0.0001452400000000 ] - [ 0.0004826900000000, -0.0008648000000000, -0.0018176100000000 ] - [ 0.0006055600000000, 0.0003748700000000, 0.0005929800000000 ] - [ 0.0004035900000000, 0.0002718800000000, 0.0001657800000000 ] - [ -0.0011076300000000, -0.0000222000000000, 0.0000966800000000 ] - [ 0.0006200400000000, 0.0001883700000000, -0.0003983900000000 ] - [ -0.0004881200000000, -0.0003114600000000, 0.0004666400000000 ] - [ -0.0004906700000000, 0.0005532300000000, -0.0005894800000000 ] - [ -0.0016133100000000, 0.0032012400000000, -0.0003873900000000 ] - [ 0.0022419200000000, -0.0002443400000000, -0.0021437100000000 ] - [ -0.0057589200000000, 0.0049679500000000, -0.0017373300000000 ] - [ 0.0005372400000000, -0.0004178900000000, 0.0002752200000000 ] - [ 0.0012254200000000, -0.0024013000000000, -0.0016965100000000 ] - [ 0.0006110400000000, 0.0003788800000000, 0.0006025200000000 ] - [ -0.0023117800000000, -0.0011611900000000, -0.0002085300000000 ] - [ 0.0014548900000000, -0.0004385500000000, 0.0001531900000000 ] - [ 0.0005829300000000, 0.0001645500000000, -0.0000243700000000 ] - [ 0.0001008600000000, -0.0001585600000000, -0.0003308800000000 ] - [ 0.0009297800000000, -0.0003821400000000, -0.0021823300000000 ] - [ -0.0007775300000000, -0.0005407000000000, 0.0003135500000000 ] - [ -0.0002382600000000, -0.0006181300000000, -0.0001967100000000 ] - [ -0.0013346800000000, -0.0012708800000000, -0.0000095300000000 ] - [ -0.0000039100000000, -0.0001190900000000, -0.0009929200000000 ] - [ -0.0009956600000000, -0.0006950000000000, 0.0002113800000000 ] - [ 0.0009498100000000, -0.0051530500000000, 0.0010627500000000 ] - [ -0.0002496800000000, 0.0012070500000000, 0.0009903700000000 ] - [ -0.2136787700000000, -0.0277815300000000, -0.2193303200000000 ] - [ -0.0020740400000000, -0.0015336400000000, -0.0002619000000000 ] - [ 0.0000920100000000, 0.0003963600000000, -0.0003237800000000 ] - [ -0.0021208200000000, -0.0011828500000000, -0.0013584500000000 ] - [ -0.0002556300000000, -0.0000688600000000, -0.0002057500000000 ] - [ 0.0001678400000000, -0.0003362800000000, -0.0003651700000000 ] - [ 0.0004589900000000, 0.0002841800000000, 0.0007412400000000 ] - [ 0.0006938500000000, 0.0002244500000000, -0.0004734700000000 ] - [ 0.0000086700000000, 0.0003337600000000, -0.0008507100000000 ] - [ -0.0009747300000000, -0.0003143600000000, -0.0001584300000000 ] - [ 0.0001837200000000, -0.0001889400000000, 0.0004266800000000 ] - [ 0.0032603700000000, -0.0021897700000000, -0.0014841400000000 ] - [ 0.0003477600000000, 0.0010525500000000, 0.0008541300000000 ] - [ -0.0001228000000000, -0.0017369600000000, 0.0005428700000000 ] - [ 0.0005041300000000, -0.0002232900000000, -0.0010559500000000 ] - [ 0.0000566200000000, 0.0004908900000000, -0.0008025100000000 ] - [ 0.0003030400000000, -0.0000114400000000, 0.0000322200000000 ] - [ -0.0005856600000000, 0.0003580400000000, 0.0002590600000000 ] - [ 0.0002896400000000, -0.0001622600000000, 0.0000590200000000 ] - [ 0.0012554700000000, 0.0001545500000000, 0.0002707000000000 ] - [ -0.0008293600000000, 0.0002621200000000, 0.0005712600000000 ] - [ -0.0052141500000000, 0.0010880600000000, 0.0097391500000000 ] - [ 0.0009529500000000, 0.0004884800000000, -0.0000759100000000 ] - [ 0.0007032100000000, -0.0000959800000000, 0.0004677800000000 ] - [ 0.0012227300000000, -0.0001537000000000, -0.0002889800000000 ] - [ -0.0008600600000000, 0.0011360600000000, 0.0007395800000000 ] - [ -0.0003867500000000, -0.0002514400000000, 0.0001865900000000 ] - [ 0.0006762200000000, 0.0002924200000000, -0.0001505800000000 ] - [ 0.0002051900000000, 0.0000337600000000, 0.0002889300000000 ] - [ 0.0017679600000000, 0.0004954500000000, -0.0001006000000000 ] - [ 0.0009810400000000, -0.0004842400000000, 0.0003860500000000 ] - [ -0.0001231100000000, -0.0002421700000000, -0.0002035100000000 ] - [ 0.0003072100000000, -0.0008575600000000, 0.0000473700000000 ] - [ -0.0003878800000000, -0.0003643500000000, -0.0004494600000000 ] - [ 0.0001819300000000, 0.0005435900000000, 0.0004543300000000 ] - [ 0.0003257900000000, 0.0004062400000000, 0.0000220000000000 ] - [ 0.0000208300000000, 0.0002586800000000, -0.0000387700000000 ] - [ -0.0009238500000000, -0.0008373400000000, 0.0001541500000000 ] - [ 0.0402961300000000, -0.0056361800000000, 0.0267288800000000 ] - [ 0.0002738900000000, -0.0001596300000000, -0.0002023900000000 ] - [ 0.0006541300000000, 0.0012560600000000, -0.0002965900000000 ] - [ 0.0001991900000000, 0.0005718400000000, -0.0002292800000000 ] - [ -0.0001257100000000, -0.0001292900000000, -0.0004668700000000 ] - [ 0.0012218200000000, 0.0003336800000000, 0.0000997500000000 ] - [ 0.0012985900000000, 0.0002426000000000, -0.0003968500000000 ] - [ 0.0011862300000000, -0.0012528600000000, 0.0011613300000000 ] - [ 0.0006289900000000, -0.0001575700000000, 0.0002496000000000 ] - [ -0.0000782600000000, -0.0002516100000000, -0.0002682300000000 ] - [ 0.0003677900000000, -0.0000365800000000, 0.0001964200000000 ] - [ -0.0000181600000000, 0.0004636500000000, -0.0001078300000000 ] - [ 0.0019420500000000, 0.0000339800000000, -0.0002060700000000 ] - [ 0.0004807200000000, -0.0001163500000000, -0.0008567100000000 ] - [ 0.0059433700000000, -0.0011517600000000, -0.0007904900000000 ] - [ 0.0004391900000000, -0.0003001000000000, 0.0003112300000000 ] - [ -0.0000472900000000, -0.0003902000000000, -0.0002783400000000 ] - [ -0.0004538700000000, 0.0002354500000000, 0.0004422800000000 ] - [ 0.0005032100000000, -0.0001542100000000, 0.0003377000000000 ] - [ 0.0008344100000000, -0.0001900500000000, -0.0006419400000000 ] - [ -0.0083317400000000, -0.0047591800000000, 0.0030560000000000 ] - [ -0.0011228700000000, 0.0000763800000000, 0.0000652300000000 ] - [ 0.0006259700000000, 0.0003727400000000, 0.0003495000000000 ] - [ 0.0026719600000000, -0.0016717000000000, 0.0015867400000000 ] - [ 0.0002961600000000, -0.0015036200000000, -0.0005072100000000 ] - [ 0.0001165800000000, -0.0008226100000000, 0.0000616200000000 ] - [ 0.0000771800000000, 0.0003807200000000, -0.0003555900000000 ] - [ 0.0015128000000000, -0.0028758800000000, -0.0009688400000000 ] - [ 0.0001596200000000, 0.0001618500000000, 0.0000601400000000 ] - [ 0.0028372700000000, 0.0012086300000000, 0.0047283700000000 ] - [ 0.0000444200000000, -0.0003441700000000, 0.0000324000000000 ] - [ 0.0000512400000000, -0.0001991900000000, -0.0004338400000000 ] - [ 0.0000675800000000, 0.0005356400000000, 0.0004149000000000 ] - [ -0.0000093100000000, 0.0006308100000000, 0.0006389700000000 ] - [ -0.0000385000000000, 0.0004105800000000, 0.0003787600000000 ] - [ 0.0009574000000000, -0.0001791900000000, -0.0001593000000000 ] - [ 0.0001011100000000, 0.0004206000000000, -0.0004440000000000 ] - [ -0.0000990700000000, -0.0003330500000000, -0.0000195100000000 ] - [ 0.0000904200000000, -0.0008723400000000, -0.0005698700000000 ] - [ -0.0012355700000000, -0.0007633800000000, 0.0014916400000000 ] - [ 0.0001388400000000, 0.0008719700000000, 0.0022520600000000 ] - [ -0.0006493800000000, 0.0012404200000000, 0.0009861700000000 ] - [ -0.0004549800000000, 0.0002409300000000, 0.0001304900000000 ] - [ 0.0000260500000000, -0.0004369300000000, -0.0002441200000000 ] - [ 0.0103984200000000, -0.0019444500000000, -0.0029429200000000 ] - [ 0.0000298300000000, -0.0003014900000000, 0.0003597200000000 ] - [ 0.0003502300000000, 0.0010396500000000, 0.0009550300000000 ] - [ 0.0003411600000000, -0.0006543200000000, 0.0007269500000000 ] - [ -0.0001225600000000, -0.0002172800000000, -0.0007208300000000 ] - [ -0.0002057900000000, 0.0002247600000000, 0.0002513100000000 ] - [ -0.0000595900000000, -0.0006425900000000, -0.0003255600000000 ] - [ 0.0003032500000000, 0.0002998600000000, 0.0001291900000000 ] - [ 0.0000691200000000, -0.0003367900000000, 0.0001093800000000 ] - [ 0.0002172700000000, 0.0000782500000000, 0.0001555900000000 ] - [ 0.0002280300000000, -0.0000226900000000, 0.0000410000000000 ] - [ -0.0001748900000000, 0.0003042700000000, 0.0002771700000000 ] - [ -0.0002031400000000, -0.0000668900000000, -0.0004246100000000 ] - [ 0.0001033200000000, 0.0002220400000000, 0.0014399900000000 ] - [ 0.0000001100000000, 0.0005096900000000, -0.0001150500000000 ] - [ 0.0007811000000000, -0.0003991500000000, 0.0002011500000000 ] - [ 0.0000652800000000, 0.0004324900000000, -0.0005758000000000 ] - [ -0.0000338600000000, 0.0001620600000000, -0.0004329400000000 ] - [ 0.0007743000000000, 0.0001982300000000, -0.0004227900000000 ] - [ 0.0003707300000000, 0.0002391400000000, -0.0000261200000000 ] - [ -0.0004166300000000, 0.0004073500000000, 0.0004637100000000 ] - [ -0.0009548500000000, -0.0001295500000000, -0.0001544900000000 ] - [ 0.0012650200000000, -0.0034942900000000, -0.0001254200000000 ] - [ -0.0001357300000000, -0.0002092100000000, -0.0002111800000000 ] - [ 0.0003969900000000, 0.0005362000000000, -0.0002488100000000 ] - [ -0.0005209700000000, 0.0004016600000000, 0.0001940600000000 ] - [ -0.0011575800000000, 0.0004220100000000, -0.0002403000000000 ] - [ -0.0001791300000000, 0.0001248700000000, 0.0004846700000000 ] - [ -0.0004444600000000, 0.0000273600000000, -0.0001445200000000 ] - [ -0.0000874500000000, -0.0002521000000000, 0.0003559700000000 ] - [ 0.0000744400000000, 0.0000032900000000, -0.0000985400000000 ] - [ -0.0003047600000000, 0.0009336800000000, -0.0002795800000000 ] - [ -0.0001265700000000, -0.0000384700000000, -0.0005583600000000 ] - [ 0.0000047900000000, -0.0003092100000000, 0.0004443000000000 ] - [ 0.0001921000000000, -0.0001480900000000, 0.0002856400000000 ] - [ -0.0003022300000000, -0.0001123700000000, 0.0009377800000000 ] - [ -0.0029393000000000, 0.0034116400000000, 0.0045560800000000 ] - [ 0.0084204500000000, -0.0045487200000000, 0.0076731700000000 ] - [ 0.0005190500000000, -0.0000407400000000, -0.0001279600000000 ] - [ -0.0007256200000000, 0.0007712600000000, 0.0003615500000000 ] - [ 0.0004951900000000, -0.0000908100000000, 0.0003106900000000 ] - [ -0.0002381000000000, 0.0000041800000000, 0.0004782900000000 ] - [ 0.0001364800000000, 0.0003705000000000, -0.0000358700000000 ] - [ -0.0002441300000000, -0.0005105000000000, 0.0005037500000000 ] - [ 0.0001456400000000, -0.0005659800000000, -0.0006071900000000 ] - [ 0.0003174500000000, -0.0004978700000000, -0.0006559500000000 ] - [ -0.0003432500000000, -0.0004358100000000, 0.0007400300000000 ] - [ -0.0005032100000000, 0.0005812100000000, -0.0000587800000000 ] - [ 0.0000570000000000, -0.0006630400000000, 0.0003202900000000 ] - [ -0.0002361400000000, 0.0000228900000000, 0.0001450100000000 ] - [ -0.0003350100000000, 0.0003876300000000, 0.0003592500000000 ] - [ -0.0001573700000000, -0.0004344200000000, -0.0000448000000000 ] - [ 0.0000448200000000, -0.0005001800000000, 0.0004853400000000 ] - [ -0.0005227100000000, -0.0008193000000000, 0.0003090900000000 ] - [ 0.0003810400000000, 0.0003352800000000, -0.0007054200000000 ] - [ 0.0002490700000000, 0.0006368400000000, 0.0001607900000000 ] - [ 0.0009603900000000, -0.0001483800000000, 0.0000550700000000 ] - [ 0.0003924600000000, 0.0003339000000000, 0.0000011000000000 ] - [ -0.0053202800000000, 0.0052150000000000, -0.0066635100000000 ]- atom: 84 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0006147200000000, 0.0012562000000000, -0.0005531500000000 ] - [ -0.0000051400000000, 0.0000385700000000, 0.0006362900000000 ] - [ 0.0001985100000000, 0.0000907800000000, -0.0000365000000000 ] - [ 0.0003394700000000, 0.0000371900000000, -0.0000097700000000 ] - [ 0.0015862100000000, 0.0001349900000000, -0.0000433400000000 ] - [ -0.0009706300000000, 0.0009579700000000, -0.0003715100000000 ] - [ 0.0003896900000000, -0.0001727100000000, 0.0010061300000000 ] - [ -0.0003032100000000, -0.0003988300000000, -0.0004831900000000 ] - [ 0.0001192500000000, 0.0001385500000000, 0.0000240800000000 ] - [ -0.0000664200000000, -0.0000730100000000, 0.0000080000000000 ] - [ -0.0029777500000000, -0.0004548800000000, 0.0004699600000000 ] - [ -0.0003403200000000, -0.0001309100000000, 0.0002555400000000 ] - [ -0.0001604900000000, 0.0000593700000000, 0.0000321800000000 ] - [ 0.0002636000000000, -0.0000817100000000, 0.0000939800000000 ] - [ 0.0001012500000000, -0.0000608600000000, 0.0000805400000000 ] - [ -0.0001637800000000, -0.0001426700000000, -0.0002831200000000 ] - [ -0.0113727700000000, -0.0077955300000000, -0.0001909200000000 ] - [ -0.0006616200000000, -0.0004512300000000, 0.0003400300000000 ] - [ 0.0019509900000000, -0.0013938000000000, -0.0016720500000000 ] - [ 0.0005520300000000, 0.0002627100000000, 0.0001172600000000 ] - [ 0.0013627700000000, -0.0005917100000000, -0.0011689800000000 ] - [ 0.0004000100000000, -0.0000614600000000, 0.0001772500000000 ] - [ -0.0005746000000000, 0.0003213200000000, -0.0002984600000000 ] - [ 0.0004267000000000, 0.0001873900000000, -0.0003459400000000 ] - [ 0.0003189700000000, 0.0001031200000000, 0.0003046500000000 ] - [ 0.0014170200000000, -0.0006185300000000, 0.0006954100000000 ] - [ -0.0003318800000000, 0.0002460600000000, 0.0002537600000000 ] - [ 0.0010183300000000, 0.0026762500000000, 0.0029984700000000 ] - [ -0.0005316400000000, 0.0004199600000000, 0.0003322600000000 ] - [ -0.0008233500000000, -0.0004469600000000, -0.0001292800000000 ] - [ 0.0003668100000000, 0.0001170000000000, -0.0000447900000000 ] - [ -0.0004650500000000, -0.0003396600000000, 0.0004612900000000 ] - [ 0.0019732600000000, -0.0000676100000000, 0.0001040500000000 ] - [ 0.0004418300000000, 0.0007263200000000, -0.0008798000000000 ] - [ 0.0019869800000000, -0.0003247000000000, -0.0008381800000000 ] - [ 0.0020511800000000, 0.0010995800000000, -0.0001663500000000 ] - [ 0.0008132900000000, -0.0040573000000000, -0.0007228000000000 ] - [ -0.0113462200000000, -0.0071779800000000, -0.0046327900000000 ] - [ 0.0002478800000000, -0.0002713500000000, 0.0005352600000000 ] - [ 0.0006874800000000, 0.0000891500000000, -0.0017336100000000 ] - [ -0.1659019900000000, -0.0154694400000000, -0.1736871100000000 ] - [ -0.0003438200000000, 0.0000835900000000, 0.0005938200000000 ] - [ 0.0009420300000000, -0.0006733000000000, -0.0004124600000000 ] - [ 0.0004580900000000, -0.0003299200000000, -0.0002177200000000 ] - [ 0.0005362000000000, 0.0003146900000000, -0.0005782800000000 ] - [ 0.0017226800000000, 0.0004654100000000, 0.0001779400000000 ] - [ 0.0005450100000000, 0.0006989400000000, -0.0003106200000000 ] - [ -0.0002326500000000, 0.0008013800000000, 0.0011054000000000 ] - [ 0.0017873800000000, -0.0001244400000000, -0.0002434000000000 ] - [ 0.0158340200000000, -0.0064151100000000, 0.0118402700000000 ] - [ 0.0004864500000000, 0.0001987800000000, -0.0004606500000000 ] - [ 0.0006332300000000, -0.0002314200000000, -0.0008697200000000 ] - [ -0.0014394400000000, -0.0002504700000000, 0.0002729300000000 ] - [ 0.0059064800000000, -0.0074557700000000, -0.0005609900000000 ] - [ 0.0003842700000000, 0.0013739600000000, 0.0024028800000000 ] - [ -0.0010344400000000, -0.0058141800000000, -0.0023152300000000 ] - [ -0.0001527500000000, 0.0007120200000000, 0.0008413400000000 ] - [ -0.0004591800000000, 0.0004606800000000, -0.0010352800000000 ] - [ -0.0001956100000000, 0.0001067400000000, 0.0006399800000000 ] - [ -0.0003243400000000, 0.0003799100000000, 0.0005858000000000 ] - [ 0.0003604400000000, 0.0000177500000000, 0.0010110900000000 ] - [ -0.0000644600000000, -0.0002661100000000, 0.0006653600000000 ] - [ -0.0013819000000000, -0.0004728400000000, 0.0015858700000000 ] - [ -0.0006912400000000, -0.0004492300000000, -0.0001811700000000 ] - [ 0.0002072600000000, 0.0006220000000000, -0.0001707200000000 ] - [ 0.0008581400000000, -0.0020314200000000, 0.0001032800000000 ] - [ -0.0014909100000000, -0.0009341800000000, 0.0018746800000000 ] - [ 0.0065126800000000, -0.0052490100000000, 0.0005704100000000 ] - [ 0.0006360400000000, 0.0001300500000000, -0.0010414200000000 ] - [ -0.0000420900000000, 0.0031498200000000, 0.0019759300000000 ] - [ -0.0003265800000000, 0.0008002100000000, 0.0001566100000000 ] - [ 0.0011456200000000, 0.0019205400000000, -0.0000804400000000 ] - [ -0.0002828500000000, -0.0003222500000000, -0.0004399200000000 ] - [ 0.0005968700000000, 0.0001189900000000, 0.0007854300000000 ] - [ -0.0012812400000000, 0.0004449200000000, -0.0004295700000000 ] - [ -0.0017029500000000, 0.0006751700000000, 0.0010271600000000 ] - [ 0.0004901800000000, -0.0006361700000000, 0.0004414800000000 ] - [ -0.0005220300000000, -0.0005579500000000, 0.0004849500000000 ] - [ 0.0010531400000000, 0.0005099500000000, 0.0011913400000000 ] - [ 0.0002922400000000, -0.0010577900000000, 0.0002354600000000 ] - [ 0.0006279200000000, 0.0002168400000000, -0.0008534900000000 ] - [ -0.0008273700000000, 0.0063982200000000, -0.0005380500000000 ] - [ -0.0003607500000000, -0.0008019400000000, -0.0004867700000000 ] - [ 0.2111711100000000, 0.0292084600000000, 0.2126682400000000 ] - [ 0.0033453900000000, 0.0014284000000000, -0.0002373400000000 ] - [ 0.0003418600000000, 0.0003409100000000, -0.0001002400000000 ] - [ 0.0013834300000000, 0.0007702000000000, 0.0009473200000000 ] - [ -0.0002498100000000, 0.0001859600000000, -0.0011049900000000 ] - [ -0.0005770800000000, -0.0004034600000000, -0.0000744800000000 ] - [ -0.0003434800000000, 0.0002219000000000, 0.0005698500000000 ] - [ -0.0003154400000000, 0.0004120300000000, -0.0000145800000000 ] - [ -0.0007461600000000, 0.0000837100000000, 0.0012797000000000 ] - [ 0.0005399600000000, -0.0004262700000000, -0.0002536100000000 ] - [ 0.0002013200000000, -0.0003080800000000, 0.0002100300000000 ] - [ -0.0028598800000000, 0.0014635200000000, 0.0019291000000000 ] - [ -0.0007859800000000, -0.0006399900000000, -0.0001115600000000 ] - [ 0.0007534400000000, 0.0012279500000000, -0.0001549500000000 ] - [ -0.0003849800000000, -0.0002809200000000, -0.0002577800000000 ] - [ -0.0005554500000000, -0.0001040000000000, 0.0014383900000000 ] - [ 0.0000754300000000, 0.0005028100000000, -0.0006714700000000 ] - [ 0.0000901400000000, 0.0002801400000000, 0.0001257600000000 ] - [ 0.0001850300000000, -0.0004755500000000, 0.0003094000000000 ] - [ 0.0000558200000000, -0.0000366600000000, 0.0002340700000000 ] - [ -0.0004786000000000, -0.0007702400000000, -0.0004547700000000 ] - [ 0.0043645100000000, -0.0006224900000000, -0.0094334200000000 ] - [ -0.0004647300000000, -0.0001097200000000, -0.0005618100000000 ] - [ -0.0001949500000000, 0.0002097700000000, 0.0008389000000000 ] - [ -0.0007857500000000, 0.0005667500000000, -0.0004491500000000 ] - [ 0.0013634400000000, -0.0015249500000000, -0.0001010400000000 ] - [ -0.0003507300000000, -0.0001749000000000, -0.0006175100000000 ] - [ 0.0000655900000000, 0.0001302100000000, -0.0002804800000000 ] - [ 0.0004321100000000, 0.0003467100000000, -0.0007808800000000 ] - [ -0.0004591800000000, 0.0000133200000000, 0.0002146100000000 ] - [ -0.0013569200000000, 0.0009691600000000, 0.0002503400000000 ] - [ -0.0005176000000000, -0.0002559200000000, -0.0001793100000000 ] - [ 0.0001971400000000, -0.0004511000000000, -0.0001642800000000 ] - [ -0.0002459400000000, -0.0000171700000000, -0.0000411900000000 ] - [ -0.0002984800000000, -0.0000341200000000, -0.0017607500000000 ] - [ -0.0010628600000000, 0.0000308700000000, 0.0003978100000000 ] - [ -0.0013261900000000, 0.0002486800000000, -0.0000791200000000 ] - [ 0.0005287500000000, 0.0012878500000000, 0.0005858900000000 ] - [ -0.0406317000000000, 0.0056442800000000, -0.0267156100000000 ] - [ -0.0003901400000000, -0.0003508300000000, 0.0015009100000000 ] - [ -0.0011522000000000, -0.0016374700000000, -0.0003380000000000 ] - [ -0.0003149500000000, 0.0007356000000000, -0.0002710900000000 ] - [ -0.0003029900000000, -0.0002960500000000, -0.0002755400000000 ] - [ -0.0007848200000000, -0.0007500500000000, 0.0006354800000000 ] - [ -0.0006593000000000, -0.0006233600000000, 0.0008851300000000 ] - [ -0.0016966700000000, 0.0011410300000000, 0.0001390800000000 ] - [ 0.0001051400000000, -0.0002603300000000, 0.0001868100000000 ] - [ -0.0003345800000000, -0.0001898700000000, -0.0004693800000000 ] - [ 0.0003725800000000, -0.0003866700000000, 0.0002378500000000 ] - [ -0.0004888500000000, 0.0008407900000000, -0.0000086600000000 ] - [ -0.0006472100000000, -0.0005324000000000, 0.0000910300000000 ] - [ 0.0000232800000000, -0.0000016900000000, -0.0004472200000000 ] - [ -0.0053743100000000, 0.0017791300000000, 0.0003992500000000 ] - [ -0.0000723900000000, -0.0003388200000000, 0.0001644700000000 ] - [ 0.0001661900000000, -0.0009208900000000, -0.0002297400000000 ] - [ 0.0000551300000000, 0.0004066900000000, 0.0000768600000000 ] - [ -0.0000853500000000, -0.0002807400000000, 0.0004043200000000 ] - [ -0.0004236900000000, 0.0006286100000000, -0.0000990900000000 ] - [ 0.0081063500000000, 0.0035442400000000, -0.0026221900000000 ] - [ -0.0001798800000000, -0.0001931200000000, 0.0004446500000000 ] - [ -0.0010586600000000, 0.0003631600000000, 0.0000756400000000 ] - [ -0.0030670100000000, 0.0010346800000000, -0.0020940900000000 ] - [ 0.0001410600000000, 0.0007559900000000, 0.0009129000000000 ] - [ -0.0006225900000000, -0.0004899900000000, 0.0000567500000000 ] - [ 0.0005629200000000, 0.0001155100000000, -0.0000277100000000 ] - [ -0.0010207700000000, 0.0042059300000000, 0.0010955900000000 ] - [ 0.0002503300000000, 0.0005754800000000, -0.0005001100000000 ] - [ -0.0020927000000000, -0.0007378200000000, -0.0050650400000000 ] - [ -0.0005470500000000, -0.0002933000000000, -0.0004226500000000 ] - [ -0.0004324300000000, -0.0002950900000000, -0.0002051500000000 ] - [ 0.0000498500000000, 0.0007740300000000, 0.0000962000000000 ] - [ -0.0006278500000000, -0.0002433100000000, -0.0001434900000000 ] - [ -0.0003984000000000, 0.0003250700000000, 0.0000403400000000 ] - [ 0.0003449000000000, 0.0000627200000000, -0.0003528200000000 ] - [ 0.0003378000000000, 0.0003186900000000, 0.0000349900000000 ] - [ -0.0006390400000000, -0.0001049100000000, -0.0003962300000000 ] - [ -0.0005965600000000, 0.0009922700000000, -0.0007349600000000 ] - [ 0.0008098800000000, 0.0000264400000000, -0.0019343500000000 ] - [ -0.0000230100000000, -0.0003656300000000, -0.0009477900000000 ] - [ 0.0010479500000000, -0.0006097400000000, -0.0015060300000000 ] - [ -0.0002812900000000, 0.0001780000000000, 0.0003052600000000 ] - [ -0.0004653000000000, -0.0003041500000000, -0.0001634200000000 ] - [ -0.0101357400000000, 0.0014374700000000, 0.0036290500000000 ] - [ 0.0003895000000000, -0.0004393500000000, 0.0000736000000000 ] - [ -0.0007931300000000, -0.0006296300000000, -0.0002152500000000 ] - [ 0.0002962300000000, 0.0001498300000000, -0.0003368500000000 ] - [ 0.0002418600000000, -0.0002938400000000, -0.0005880400000000 ] - [ -0.0002808600000000, 0.0001522100000000, 0.0003881800000000 ] - [ 0.0004532500000000, 0.0011508600000000, -0.0003113300000000 ] - [ -0.0007984000000000, 0.0003411800000000, 0.0002539100000000 ] - [ 0.0004364700000000, -0.0003018400000000, 0.0002809600000000 ] - [ 0.0010905100000000, 0.0000382600000000, 0.0003536700000000 ] - [ -0.0015385600000000, -0.0004802500000000, 0.0000741200000000 ] - [ -0.0004671800000000, 0.0001984600000000, 0.0001082100000000 ] - [ 0.0007014500000000, 0.0004520700000000, -0.0002127600000000 ] - [ 0.0004036000000000, -0.0001069000000000, -0.0001438100000000 ] - [ 0.0004406500000000, -0.0001009600000000, -0.0006266200000000 ] - [ -0.0002880100000000, 0.0000179000000000, 0.0004390100000000 ] - [ -0.0008108700000000, -0.0008620300000000, 0.0001504100000000 ] - [ 0.0007742200000000, 0.0002560300000000, -0.0000021900000000 ] - [ -0.0001339900000000, 0.0001924800000000, -0.0000826800000000 ] - [ 0.0009355500000000, 0.0002724300000000, 0.0001429500000000 ] - [ 0.0000393500000000, 0.0000766400000000, 0.0001678700000000 ] - [ 0.0003169600000000, -0.0003591200000000, -0.0002207100000000 ] - [ -0.0007535600000000, 0.0021947600000000, 0.0000087800000000 ] - [ -0.0005038000000000, -0.0001677000000000, -0.0002792500000000 ] - [ -0.0005173700000000, -0.0000330800000000, -0.0010645300000000 ] - [ -0.0002171800000000, 0.0000323800000000, 0.0002245200000000 ] - [ -0.0001443500000000, 0.0000869500000000, 0.0001240000000000 ] - [ -0.0002360400000000, 0.0003085600000000, 0.0002548400000000 ] - [ -0.0008640000000000, 0.0000909800000000, -0.0003639200000000 ] - [ -0.0000294800000000, -0.0002591100000000, 0.0009507800000000 ] - [ -0.0005642700000000, -0.0003816300000000, -0.0005421200000000 ] - [ 0.0001904000000000, 0.0003710300000000, -0.0002273500000000 ] - [ -0.0003058800000000, -0.0003799200000000, -0.0001825000000000 ] - [ 0.0004413000000000, -0.0000929500000000, 0.0002921400000000 ] - [ 0.0004461200000000, -0.0002375100000000, 0.0002097500000000 ] - [ -0.0002024400000000, -0.0000045700000000, 0.0003695000000000 ] - [ 0.0036910400000000, -0.0038044700000000, -0.0041022200000000 ] - [ -0.0088705300000000, 0.0041098200000000, -0.0085126200000000 ] - [ 0.0002223400000000, -0.0003936200000000, 0.0005480700000000 ] - [ 0.0002189300000000, 0.0005300600000000, -0.0004827700000000 ] - [ 0.0008115400000000, -0.0004150400000000, -0.0004283500000000 ] - [ 0.0007508300000000, -0.0001250000000000, -0.0017981900000000 ] - [ 0.0003589300000000, 0.0002681800000000, -0.0003483700000000 ] - [ 0.0006267200000000, -0.0001307500000000, -0.0000095800000000 ] - [ -0.0000279500000000, -0.0007392400000000, 0.0001031500000000 ] - [ -0.0006964700000000, 0.0011399700000000, 0.0011467300000000 ] - [ 0.0007649100000000, -0.0000000300000000, -0.0000053300000000 ] - [ 0.0009271700000000, -0.0001490300000000, -0.0006822100000000 ] - [ -0.0001745900000000, -0.0006422700000000, 0.0001867500000000 ] - [ -0.0010693800000000, -0.0001404200000000, 0.0003562200000000 ] - [ -0.0000617500000000, 0.0003539000000000, 0.0000866200000000 ] - [ -0.0002283400000000, -0.0002059300000000, -0.0004547300000000 ] - [ 0.0003989300000000, -0.0002369200000000, -0.0000799600000000 ] - [ 0.0000109700000000, -0.0004889700000000, -0.0001953500000000 ] - [ 0.0002578300000000, 0.0001483500000000, 0.0003335700000000 ] - [ 0.0002533800000000, 0.0006658400000000, -0.0000458500000000 ] - [ -0.0005584100000000, 0.0008862900000000, -0.0005009500000000 ] - [ 0.0003464600000000, 0.0001036100000000, -0.0004170200000000 ] - [ 0.0048480400000000, -0.0058670600000000, 0.0062998900000000 ]- atom: 84 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0011195000000000, -0.0002646100000000, 0.0002082000000000 ] - [ -0.0000429000000000, 0.0002307800000000, -0.0000010500000000 ] - [ 0.0000376600000000, -0.0000672400000000, -0.0000461500000000 ] - [ -0.0001229000000000, 0.0000333900000000, 0.0001207900000000 ] - [ -0.0002387000000000, 0.0001099100000000, -0.0000320500000000 ] - [ 0.0002418700000000, -0.0026923000000000, -0.0004609100000000 ] - [ -0.0001613700000000, 0.0002753300000000, -0.0000980200000000 ] - [ 0.0003370700000000, -0.0001043600000000, -0.0002430300000000 ] - [ -0.0000383000000000, -0.0000221800000000, -0.0000642800000000 ] - [ 0.0000428300000000, -0.0004028600000000, 0.0000145700000000 ] - [ 0.0005421400000000, 0.0025404100000000, 0.0004531100000000 ] - [ -0.0001297200000000, 0.0000952900000000, 0.0007271200000000 ] - [ -0.0000568300000000, -0.0003415400000000, -0.0000524100000000 ] - [ -0.0000072900000000, -0.0000420900000000, 0.0000294800000000 ] - [ 0.0000885900000000, -0.0004078400000000, 0.0000726100000000 ] - [ 0.0001037800000000, -0.0001064600000000, -0.0001581200000000 ] - [ 0.0094787300000000, 0.0153002200000000, 0.0008845700000000 ] - [ 0.0009182500000000, -0.0015003400000000, 0.0007649900000000 ] - [ 0.0002154900000000, 0.0007318800000000, -0.0000344500000000 ] - [ -0.0003775400000000, -0.0003475400000000, -0.0002422000000000 ] - [ 0.0000486500000000, 0.0005658000000000, 0.0000969400000000 ] - [ -0.0000513000000000, 0.0003245200000000, 0.0000115200000000 ] - [ -0.0004756500000000, 0.0002575800000000, 0.0006599700000000 ] - [ -0.0002702700000000, -0.0005701500000000, 0.0001499400000000 ] - [ -0.0001226500000000, -0.0004059800000000, -0.0000891300000000 ] - [ -0.0000119700000000, 0.0002199400000000, 0.0000019700000000 ] - [ 0.0002693300000000, -0.0005490000000000, -0.0000963600000000 ] - [ -0.0049882900000000, -0.0014558800000000, -0.0044143000000000 ] - [ 0.0004264300000000, -0.0008304300000000, -0.0003228000000000 ] - [ 0.0005449900000000, -0.0012441900000000, -0.0001247300000000 ] - [ -0.0002681700000000, -0.0002952800000000, 0.0001612200000000 ] - [ 0.0001827800000000, 0.0006015900000000, -0.0002080800000000 ] - [ 0.0000581000000000, 0.0005433800000000, 0.0001308800000000 ] - [ -0.0004559800000000, 0.0007261100000000, -0.0005342400000000 ] - [ -0.0006754000000000, -0.0005074000000000, -0.0004877900000000 ] - [ -0.0001702200000000, 0.0007031700000000, 0.0005421100000000 ] - [ 0.0020339300000000, -0.0002078700000000, 0.0004655200000000 ] - [ 0.0047677300000000, -0.0087816300000000, 0.0037026000000000 ] - [ -0.0005363700000000, -0.0006339100000000, 0.0005906700000000 ] - [ -0.0013838300000000, 0.0008658600000000, 0.0000528500000000 ] - [ 0.0096853900000000, 0.0624946600000000, 0.0084191700000000 ] - [ 0.0003625200000000, 0.0007421400000000, 0.0002537800000000 ] - [ 0.0001869000000000, -0.0010592500000000, -0.0000882400000000 ] - [ 0.0006406000000000, -0.0006435900000000, -0.0003658200000000 ] - [ -0.0003404900000000, -0.0009819000000000, 0.0002538200000000 ] - [ 0.0001968800000000, 0.0001160600000000, -0.0000341100000000 ] - [ 0.0001023400000000, 0.0013296100000000, 0.0004845300000000 ] - [ -0.0011414000000000, 0.0004443000000000, -0.0010086900000000 ] - [ 0.0003695500000000, -0.0001300100000000, -0.0001165200000000 ] - [ -0.0000985000000000, 0.0020464200000000, 0.0008278300000000 ] - [ -0.0007775700000000, 0.0005341900000000, -0.0003925200000000 ] - [ -0.0005466900000000, -0.0000848000000000, -0.0006053500000000 ] - [ -0.0011768400000000, -0.0029503600000000, 0.0021675900000000 ] - [ -0.0003541600000000, 0.0052118800000000, 0.0000790800000000 ] - [ -0.0017401400000000, -0.0011946000000000, -0.0007337900000000 ] - [ 0.0049109500000000, -0.0000673900000000, 0.0009726000000000 ] - [ 0.0008090500000000, 0.0003444000000000, -0.0004031700000000 ] - [ -0.0003676200000000, -0.0007253800000000, -0.0007142700000000 ] - [ -0.0000749300000000, -0.0011040100000000, -0.0019672900000000 ] - [ -0.0001338400000000, -0.0006796200000000, 0.0007344900000000 ] - [ 0.0007423000000000, 0.0000134600000000, 0.0004312600000000 ] - [ -0.0006999900000000, -0.0003611400000000, 0.0003199000000000 ] - [ 0.0002340200000000, 0.0005081100000000, 0.0003499700000000 ] - [ -0.0006921000000000, -0.0009384600000000, 0.0003150500000000 ] - [ -0.0002157500000000, 0.0002402600000000, -0.0004508300000000 ] - [ 0.0000337200000000, 0.0005252000000000, 0.0003397800000000 ] - [ 0.0018329700000000, 0.0011215500000000, -0.0014804000000000 ] - [ 0.0002972000000000, 0.0017417000000000, -0.0000482100000000 ] - [ 0.0001859800000000, 0.0002923800000000, 0.0000662300000000 ] - [ 0.0005631400000000, -0.0036133600000000, -0.0028895000000000 ] - [ 0.0001201800000000, -0.0005275400000000, 0.0004454400000000 ] - [ -0.0028138300000000, -0.0010031800000000, -0.0003705300000000 ] - [ 0.0004463100000000, -0.0022238400000000, -0.0003497200000000 ] - [ 0.0006187300000000, -0.0003122800000000, 0.0002207400000000 ] - [ -0.0005058200000000, -0.0016128900000000, -0.0002650400000000 ] - [ 0.0011069700000000, 0.0000301000000000, -0.0031405600000000 ] - [ -0.0004107500000000, -0.0004410500000000, 0.0003453500000000 ] - [ -0.0002541000000000, -0.0010630700000000, 0.0001684500000000 ] - [ -0.0009654500000000, -0.0008191200000000, -0.0000544400000000 ] - [ 0.0002458200000000, -0.0007038400000000, -0.0005595300000000 ] - [ -0.0007991000000000, -0.0012176400000000, -0.0002951500000000 ] - [ -0.0007502700000000, -0.0020134000000000, 0.0002254200000000 ] - [ 0.0002361200000000, 0.0002851400000000, 0.0008316500000000 ] - [ -0.0275952200000000, -0.0730964500000000, -0.0180934800000000 ] - [ -0.0034806200000000, 0.0011582000000000, -0.0004626900000000 ] - [ 0.0001852000000000, 0.0001466800000000, -0.0002049800000000 ] - [ -0.0017510100000000, 0.0022521700000000, -0.0025651800000000 ] - [ -0.0004214700000000, 0.0000707000000000, -0.0007973700000000 ] - [ -0.0000641800000000, -0.0001693000000000, -0.0002856400000000 ] - [ 0.0002456500000000, 0.0003460000000000, 0.0007746800000000 ] - [ 0.0003152100000000, 0.0003673300000000, -0.0002475800000000 ] - [ -0.0003601500000000, -0.0004202500000000, 0.0004311000000000 ] - [ -0.0002695900000000, 0.0011870100000000, -0.0010962100000000 ] - [ 0.0000912600000000, 0.0000134300000000, 0.0003382900000000 ] - [ 0.0007818700000000, -0.0017081200000000, -0.0001783500000000 ] - [ 0.0003662200000000, 0.0008627800000000, 0.0007183900000000 ] - [ -0.0006558000000000, 0.0001174500000000, -0.0001885600000000 ] - [ 0.0001399400000000, -0.0003716400000000, -0.0007037400000000 ] - [ 0.0004254900000000, -0.0004468100000000, -0.0000005800000000 ] - [ -0.0000472400000000, -0.0000124700000000, -0.0004139200000000 ] - [ -0.0003476800000000, 0.0009084500000000, 0.0001040100000000 ] - [ 0.0005361900000000, -0.0001070800000000, 0.0001409000000000 ] - [ 0.0007052100000000, -0.0000866200000000, 0.0002598200000000 ] - [ 0.0002903400000000, 0.0006429900000000, 0.0004969500000000 ] - [ 0.0134919200000000, 0.0016407000000000, 0.0279144000000000 ] - [ 0.0003143300000000, 0.0001152300000000, -0.0003137500000000 ] - [ 0.0003823400000000, 0.0001029600000000, 0.0006781800000000 ] - [ 0.0004788100000000, 0.0000054700000000, -0.0003551000000000 ] - [ -0.0005678400000000, 0.0013520800000000, 0.0011525200000000 ] - [ -0.0003162400000000, -0.0004740200000000, 0.0000541000000000 ] - [ 0.0004261500000000, 0.0000653900000000, -0.0002445100000000 ] - [ 0.0003929200000000, -0.0000291700000000, 0.0002601100000000 ] - [ 0.0009709500000000, 0.0000430300000000, 0.0001076700000000 ] - [ -0.0001356900000000, 0.0001225900000000, 0.0003253400000000 ] - [ -0.0002486700000000, -0.0002516100000000, -0.0002327500000000 ] - [ 0.0000818700000000, -0.0004169400000000, -0.0001026600000000 ] - [ -0.0003904500000000, 0.0003229700000000, -0.0000379100000000 ] - [ 0.0003136600000000, 0.0001986100000000, 0.0002477800000000 ] - [ -0.0002921300000000, 0.0000631900000000, 0.0002476100000000 ] - [ -0.0004320000000000, 0.0001448200000000, -0.0000381100000000 ] - [ -0.0011147200000000, 0.0005966600000000, 0.0003607900000000 ] - [ -0.0005000200000000, -0.0081863000000000, -0.0005372800000000 ] - [ 0.0001260300000000, -0.0005190200000000, 0.0005500900000000 ] - [ 0.0015446200000000, 0.0013962100000000, -0.0004053400000000 ] - [ 0.0000370800000000, 0.0003918600000000, -0.0002442500000000 ] - [ -0.0000237500000000, -0.0004341900000000, -0.0004337300000000 ] - [ 0.0002921200000000, -0.0003195200000000, 0.0003547600000000 ] - [ 0.0004085200000000, -0.0003617000000000, 0.0003038900000000 ] - [ -0.0001204700000000, -0.0009431000000000, 0.0010084600000000 ] - [ 0.0004375700000000, -0.0000064700000000, 0.0003147800000000 ] - [ -0.0003755400000000, 0.0000447400000000, -0.0004406200000000 ] - [ 0.0006524800000000, -0.0000610700000000, 0.0000467000000000 ] - [ -0.0002458400000000, 0.0009154800000000, -0.0000901100000000 ] - [ 0.0016695000000000, -0.0001995900000000, -0.0001716800000000 ] - [ 0.0003116600000000, 0.0000770900000000, -0.0006368800000000 ] - [ 0.0005941700000000, -0.0001270200000000, -0.0005140200000000 ] - [ 0.0002841300000000, -0.0001669200000000, 0.0002511200000000 ] - [ 0.0000890900000000, 0.0001077200000000, -0.0002622900000000 ] - [ -0.0004641100000000, 0.0003505500000000, 0.0004435900000000 ] - [ 0.0003817400000000, 0.0000907400000000, 0.0004260000000000 ] - [ 0.0001770900000000, 0.0001956900000000, -0.0003180400000000 ] - [ -0.0077282900000000, 0.0015348400000000, -0.0198868900000000 ] - [ 0.0002309300000000, 0.0004321500000000, -0.0001904700000000 ] - [ 0.0000313800000000, 0.0004399000000000, 0.0001923300000000 ] - [ 0.0001558700000000, -0.0006996000000000, -0.0001693900000000 ] - [ -0.0009109300000000, -0.0006878100000000, 0.0004763300000000 ] - [ -0.0001961600000000, -0.0003768100000000, 0.0000293500000000 ] - [ 0.0001717900000000, 0.0008091700000000, -0.0003815100000000 ] - [ -0.0014454900000000, -0.0006347300000000, 0.0000315500000000 ] - [ -0.0003463500000000, 0.0003100500000000, -0.0007348300000000 ] - [ 0.0017561400000000, -0.0015382900000000, -0.0012178100000000 ] - [ -0.0001686000000000, -0.0002484300000000, -0.0001328400000000 ] - [ -0.0000117700000000, 0.0000239200000000, -0.0003698100000000 ] - [ 0.0000654100000000, 0.0009143200000000, 0.0003062800000000 ] - [ -0.0001152400000000, 0.0005404500000000, 0.0005697400000000 ] - [ -0.0001742900000000, 0.0004897500000000, 0.0002578300000000 ] - [ 0.0006333800000000, -0.0000088200000000, -0.0002165100000000 ] - [ 0.0001644000000000, 0.0007247200000000, -0.0002630200000000 ] - [ -0.0003424800000000, -0.0001912200000000, -0.0002316500000000 ] - [ -0.0005478900000000, 0.0000989500000000, -0.0010942700000000 ] - [ -0.0007736300000000, -0.0017087000000000, 0.0016146500000000 ] - [ 0.0003752100000000, 0.0011110000000000, 0.0031068100000000 ] - [ -0.0008357600000000, 0.0016404400000000, 0.0018476100000000 ] - [ -0.0004218900000000, 0.0005500400000000, 0.0001014100000000 ] - [ -0.0001489800000000, -0.0004316100000000, -0.0002298600000000 ] - [ 0.0043560300000000, -0.0032504200000000, -0.0009555400000000 ] - [ 0.0001355200000000, -0.0001707600000000, 0.0002441200000000 ] - [ 0.0002686300000000, 0.0004413500000000, 0.0007170100000000 ] - [ 0.0002721000000000, -0.0002912600000000, 0.0002317500000000 ] - [ 0.0000920500000000, 0.0001965500000000, -0.0006101700000000 ] - [ -0.0002606100000000, 0.0003938700000000, 0.0002461700000000 ] - [ -0.0000618200000000, 0.0003457900000000, -0.0004725600000000 ] - [ -0.0001544800000000, 0.0001749900000000, 0.0001993900000000 ] - [ 0.0003676600000000, -0.0005027100000000, 0.0000629500000000 ] - [ 0.0007873200000000, 0.0004790300000000, 0.0002854500000000 ] - [ -0.0001698500000000, -0.0001449300000000, 0.0000934600000000 ] - [ -0.0002662600000000, 0.0004317300000000, 0.0002888400000000 ] - [ 0.0004709400000000, 0.0011286400000000, -0.0002015300000000 ] - [ 0.0001871900000000, 0.0001934500000000, 0.0016354300000000 ] - [ 0.0001379400000000, 0.0006215600000000, -0.0000759700000000 ] - [ 0.0003380400000000, -0.0002139500000000, 0.0003809300000000 ] - [ 0.0001901400000000, 0.0006008600000000, -0.0005192900000000 ] - [ 0.0004105400000000, 0.0012567600000000, 0.0001598600000000 ] - [ 0.0005060700000000, 0.0002996400000000, -0.0003525700000000 ] - [ 0.0008045900000000, 0.0005184800000000, 0.0000215700000000 ] - [ -0.0003880200000000, 0.0005248100000000, 0.0003991700000000 ] - [ 0.0001211600000000, 0.0005244300000000, -0.0011217700000000 ] - [ -0.0000510900000000, -0.0015229900000000, -0.0003830500000000 ] - [ -0.0002079300000000, -0.0004044600000000, -0.0002925100000000 ] - [ 0.0004355200000000, 0.0005177700000000, -0.0000761500000000 ] - [ -0.0002897700000000, 0.0009059100000000, -0.0000679000000000 ] - [ -0.0006621100000000, 0.0009107500000000, -0.0000531400000000 ] - [ -0.0003483300000000, 0.0001250700000000, 0.0004215500000000 ] - [ -0.0006507000000000, 0.0001598600000000, -0.0002249100000000 ] - [ 0.0000000500000000, 0.0000475400000000, 0.0004977800000000 ] - [ 0.0000042200000000, -0.0000763400000000, -0.0001519500000000 ] - [ -0.0001468700000000, 0.0021757700000000, -0.0007558700000000 ] - [ -0.0001190200000000, 0.0003143900000000, -0.0004327900000000 ] - [ 0.0004784600000000, 0.0004990900000000, 0.0000717800000000 ] - [ 0.0004159100000000, 0.0002955400000000, 0.0000664300000000 ] - [ -0.0002882600000000, 0.0000835200000000, 0.0005447200000000 ] - [ -0.0005595100000000, 0.0057715100000000, 0.0082576000000000 ] - [ 0.0004918300000000, -0.0035354800000000, 0.0005607500000000 ] - [ 0.0006498000000000, -0.0002152200000000, -0.0001310900000000 ] - [ -0.0004586300000000, 0.0000597700000000, 0.0005507100000000 ] - [ 0.0009356100000000, -0.0001592600000000, 0.0002278900000000 ] - [ -0.0000621500000000, -0.0002385400000000, -0.0000761400000000 ] - [ 0.0002036200000000, 0.0005015300000000, -0.0001194600000000 ] - [ 0.0000108700000000, -0.0006547100000000, 0.0001351300000000 ] - [ 0.0001893400000000, -0.0011347900000000, -0.0004332700000000 ] - [ -0.0006626100000000, 0.0002349200000000, 0.0005415300000000 ] - [ -0.0001703800000000, -0.0006197000000000, 0.0004070700000000 ] - [ -0.0005377300000000, 0.0006514400000000, 0.0001904700000000 ] - [ -0.0000047600000000, -0.0004203100000000, 0.0002446500000000 ] - [ -0.0003876900000000, -0.0001050300000000, 0.0001631600000000 ] - [ -0.0002200000000000, 0.0004395500000000, 0.0002115900000000 ] - [ -0.0003785900000000, -0.0000351700000000, -0.0004155300000000 ] - [ 0.0000852400000000, -0.0003323200000000, 0.0003390600000000 ] - [ -0.0004162000000000, -0.0009004000000000, 0.0002133700000000 ] - [ 0.0002589400000000, -0.0000757600000000, -0.0000944900000000 ] - [ 0.0002199400000000, 0.0009120700000000, 0.0001067800000000 ] - [ -0.0000115100000000, 0.0003108000000000, -0.0004250600000000 ] - [ 0.0003406600000000, 0.0004865500000000, -0.0000418300000000 ] - [ -0.0010702300000000, 0.0069800600000000, -0.0053931700000000 ]- atom: 84 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0012459000000000, 0.0003852700000000, -0.0003283600000000 ] - [ -0.0000771700000000, -0.0001081500000000, 0.0001219300000000 ] - [ 0.0000838700000000, 0.0001886500000000, -0.0000734800000000 ] - [ 0.0000030200000000, 0.0000891800000000, -0.0000017900000000 ] - [ 0.0001219700000000, -0.0002306700000000, -0.0000880000000000 ] - [ -0.0001241400000000, 0.0025706000000000, 0.0005701700000000 ] - [ 0.0002839100000000, -0.0003962600000000, 0.0002223400000000 ] - [ -0.0004611400000000, -0.0000176800000000, 0.0001227400000000 ] - [ 0.0001583700000000, 0.0001433400000000, -0.0000544700000000 ] - [ -0.0001646300000000, 0.0005255000000000, 0.0001044900000000 ] - [ -0.0004270700000000, -0.0024347800000000, -0.0005628700000000 ] - [ 0.0000080100000000, 0.0000259300000000, -0.0006073000000000 ] - [ -0.0000656400000000, 0.0002204000000000, -0.0000662400000000 ] - [ 0.0001297600000000, -0.0000783600000000, 0.0000901500000000 ] - [ 0.0000343800000000, 0.0002872700000000, 0.0000470300000000 ] - [ -0.0002252500000000, -0.0000146200000000, 0.0000385600000000 ] - [ -0.0102916300000000, -0.0158111300000000, -0.0010844500000000 ] - [ -0.0008539700000000, 0.0014277000000000, -0.0008388700000000 ] - [ -0.0001398300000000, -0.0006684900000000, 0.0000987100000000 ] - [ 0.0003087100000000, 0.0004163600000000, 0.0001687400000000 ] - [ 0.0000268300000000, -0.0004942500000000, -0.0000256000000000 ] - [ -0.0000202100000000, -0.0002555700000000, -0.0000836700000000 ] - [ 0.0003994000000000, -0.0003261500000000, -0.0005840000000000 ] - [ 0.0003409000000000, 0.0005021900000000, -0.0002282400000000 ] - [ 0.0000532600000000, 0.0003381100000000, 0.0001660300000000 ] - [ 0.0000859800000000, -0.0002891700000000, -0.0000739300000000 ] - [ -0.0001985700000000, 0.0006220700000000, 0.0001715000000000 ] - [ 0.0049191700000000, 0.0015366900000000, 0.0043620100000000 ] - [ -0.0003581300000000, 0.0009064400000000, 0.0004000000000000 ] - [ -0.0006156800000000, 0.0013098700000000, 0.0000489700000000 ] - [ 0.0002036700000000, 0.0002248900000000, -0.0000880000000000 ] - [ -0.0001126800000000, -0.0006742700000000, 0.0001363200000000 ] - [ 0.0007117700000000, 0.0006314400000000, 0.0001562500000000 ] - [ 0.0001655900000000, 0.0000377700000000, -0.0006416300000000 ] - [ 0.0009684700000000, -0.0002526000000000, -0.0006911200000000 ] - [ 0.0004559400000000, 0.0000610700000000, 0.0006309600000000 ] - [ -0.0012680900000000, 0.0004944200000000, 0.0007078800000000 ] - [ -0.0060174800000000, 0.0084184800000000, -0.0030303800000000 ] - [ -0.0002173300000000, 0.0003498300000000, 0.0005882400000000 ] - [ 0.0002001100000000, -0.0016216700000000, 0.0002278400000000 ] - [ -0.0113764300000000, -0.0616005700000000, -0.0113336500000000 ] - [ -0.0011246500000000, 0.0004348200000000, -0.0005373600000000 ] - [ 0.0005769400000000, -0.0001161800000000, -0.0001991900000000 ] - [ 0.0001181100000000, 0.0003597300000000, -0.0008093300000000 ] - [ 0.0015103800000000, 0.0006926000000000, -0.0010167400000000 ] - [ 0.0009860400000000, 0.0006475600000000, 0.0003234500000000 ] - [ 0.0001885600000000, -0.0001499500000000, 0.0002768800000000 ] - [ -0.0000334700000000, 0.0003169500000000, 0.0007249400000000 ] - [ 0.0008088900000000, -0.0006293300000000, -0.0001693100000000 ] - [ 0.0013475000000000, -0.0018065500000000, -0.0000079100000000 ] - [ -0.0003975200000000, -0.0002503800000000, -0.0003685700000000 ] - [ -0.0002095800000000, 0.0003699500000000, -0.0005743700000000 ] - [ 0.0008775500000000, 0.0017598600000000, -0.0013999300000000 ] - [ -0.0004049800000000, -0.0063823600000000, 0.0002019200000000 ] - [ 0.0014652200000000, 0.0004319300000000, 0.0019101300000000 ] - [ -0.0046461500000000, -0.0011308800000000, -0.0017475100000000 ] - [ -0.0000544600000000, 0.0008377800000000, 0.0006947800000000 ] - [ 0.0000831000000000, 0.0014875900000000, -0.0004679800000000 ] - [ 0.0003630300000000, 0.0003507200000000, 0.0007972600000000 ] - [ 0.0004160300000000, 0.0014360100000000, 0.0004427400000000 ] - [ 0.0000199300000000, 0.0002735400000000, 0.0007466400000000 ] - [ -0.0004730600000000, 0.0000753600000000, 0.0004423000000000 ] - [ -0.0009963200000000, -0.0007923600000000, 0.0008358200000000 ] - [ -0.0004838500000000, 0.0001763200000000, -0.0000308100000000 ] - [ -0.0000665500000000, 0.0009362700000000, -0.0003111200000000 ] - [ -0.0007856900000000, 0.0006513700000000, -0.0006256900000000 ] - [ -0.0010797400000000, -0.0023002600000000, 0.0012043200000000 ] - [ 0.0004639700000000, -0.0020183900000000, -0.0011263400000000 ] - [ 0.0009933300000000, -0.0005826100000000, -0.0008328100000000 ] - [ 0.0006147600000000, 0.0043912700000000, 0.0031838300000000 ] - [ 0.0001573600000000, 0.0017039100000000, 0.0003137400000000 ] - [ 0.0016384800000000, 0.0017709900000000, 0.0000821900000000 ] - [ 0.0007230200000000, 0.0014619700000000, 0.0000610100000000 ] - [ 0.0005635500000000, 0.0005979300000000, 0.0005423000000000 ] - [ -0.0006762500000000, 0.0018947000000000, -0.0004959600000000 ] - [ -0.0018775200000000, 0.0002610800000000, 0.0019771800000000 ] - [ 0.0001272400000000, -0.0007385000000000, 0.0004143600000000 ] - [ -0.0005093800000000, -0.0001130300000000, 0.0001204900000000 ] - [ 0.0006827000000000, 0.0000640900000000, 0.0012366600000000 ] - [ 0.0000443900000000, -0.0004713900000000, -0.0002000800000000 ] - [ 0.0004317200000000, 0.0007421400000000, -0.0003420600000000 ] - [ 0.0008638700000000, 0.0033506800000000, 0.0002811200000000 ] - [ -0.0008577100000000, 0.0001123400000000, -0.0003394000000000 ] - [ 0.0293824900000000, 0.0746208000000000, 0.0205287300000000 ] - [ 0.0048078800000000, -0.0012684700000000, -0.0000311600000000 ] - [ 0.0002437000000000, 0.0005914500000000, -0.0002201600000000 ] - [ 0.0010302500000000, -0.0026795000000000, 0.0021748900000000 ] - [ -0.0000844700000000, 0.0000450800000000, -0.0005148000000000 ] - [ -0.0003485600000000, -0.0005708900000000, -0.0001499000000000 ] - [ -0.0001328400000000, 0.0001598700000000, 0.0005343100000000 ] - [ 0.0000549200000000, 0.0002697500000000, -0.0002354400000000 ] - [ -0.0003731400000000, 0.0008343400000000, 0.0000094700000000 ] - [ -0.0001613300000000, -0.0019169600000000, 0.0006765500000000 ] - [ 0.0002883100000000, -0.0005025400000000, 0.0002942100000000 ] - [ -0.0003718800000000, 0.0009695300000000, 0.0006144800000000 ] - [ -0.0008065200000000, -0.0004527200000000, 0.0000226100000000 ] - [ 0.0012952000000000, -0.0006134400000000, 0.0005773300000000 ] - [ -0.0000245500000000, -0.0001329900000000, -0.0006053400000000 ] - [ -0.0009171900000000, 0.0008272100000000, 0.0006394100000000 ] - [ 0.0004261000000000, 0.0005038200000000, -0.0002226500000000 ] - [ -0.0001446900000000, -0.0002704300000000, 0.0002755500000000 ] - [ -0.0000619000000000, -0.0005273600000000, 0.0002272700000000 ] - [ 0.0006016400000000, 0.0002031900000000, 0.0002438500000000 ] - [ -0.0016078100000000, -0.0011578800000000, -0.0003840200000000 ] - [ -0.0140728800000000, -0.0010984600000000, -0.0272350400000000 ] - [ 0.0001734000000000, 0.0002612200000000, -0.0003226700000000 ] - [ 0.0001251100000000, 0.0000126200000000, 0.0006326700000000 ] - [ -0.0000456900000000, 0.0004035200000000, -0.0003851200000000 ] - [ 0.0010726200000000, -0.0017469800000000, -0.0005244300000000 ] - [ -0.0004227000000000, 0.0000510900000000, -0.0004853700000000 ] - [ 0.0003132000000000, 0.0003566000000000, -0.0001862600000000 ] - [ 0.0002401100000000, 0.0004059900000000, -0.0007500900000000 ] - [ 0.0003390400000000, 0.0004664700000000, 0.0000085300000000 ] - [ -0.0002488700000000, 0.0003711400000000, 0.0003082200000000 ] - [ -0.0003916400000000, -0.0002444200000000, -0.0001487800000000 ] - [ 0.0004244900000000, -0.0008911500000000, -0.0000110500000000 ] - [ -0.0002443100000000, -0.0006978700000000, -0.0004473500000000 ] - [ -0.0004308200000000, 0.0003124400000000, -0.0015590600000000 ] - [ -0.0004492500000000, 0.0003718800000000, 0.0001683200000000 ] - [ -0.0008735200000000, 0.0003632400000000, -0.0000761400000000 ] - [ 0.0007091000000000, -0.0001542500000000, 0.0003813000000000 ] - [ -0.0009650700000000, 0.0083277900000000, -0.0001026900000000 ] - [ -0.0002400300000000, 0.0000058800000000, 0.0007549100000000 ] - [ -0.0020320200000000, -0.0017768000000000, -0.0002275500000000 ] - [ -0.0001529100000000, 0.0009199800000000, -0.0002597400000000 ] - [ -0.0004034700000000, 0.0000100600000000, -0.0003076500000000 ] - [ 0.0001420600000000, -0.0000958300000000, 0.0003847600000000 ] - [ 0.0002216700000000, -0.0000214600000000, 0.0001914200000000 ] - [ -0.0003927400000000, 0.0008269700000000, 0.0003041300000000 ] - [ 0.0002951800000000, -0.0004157400000000, 0.0001161900000000 ] - [ -0.0000393200000000, -0.0004828300000000, -0.0002973400000000 ] - [ 0.0000898800000000, -0.0003625600000000, 0.0003839200000000 ] - [ -0.0002660100000000, 0.0003921100000000, -0.0000245500000000 ] - [ -0.0003702100000000, -0.0003059000000000, 0.0000578900000000 ] - [ 0.0001931700000000, -0.0001920400000000, -0.0006667500000000 ] - [ -0.0001182100000000, 0.0007729200000000, 0.0001276800000000 ] - [ 0.0000792700000000, -0.0004690000000000, 0.0002235300000000 ] - [ 0.0000289400000000, -0.0014185300000000, -0.0002484900000000 ] - [ 0.0000674800000000, 0.0002865900000000, 0.0000708300000000 ] - [ 0.0000374400000000, -0.0005229700000000, 0.0003149500000000 ] - [ 0.0002274800000000, 0.0002476000000000, -0.0004186200000000 ] - [ 0.0076492100000000, -0.0028003800000000, 0.0206478700000000 ] - [ -0.0015261400000000, -0.0005447700000000, 0.0007008700000000 ] - [ -0.0004674600000000, 0.0002999600000000, 0.0002305700000000 ] - [ -0.0005475400000000, 0.0000632600000000, -0.0003346400000000 ] - [ 0.0013578800000000, -0.0000430800000000, -0.0000684900000000 ] - [ -0.0003125400000000, -0.0009307400000000, 0.0000863900000000 ] - [ 0.0004644100000000, -0.0003143200000000, -0.0000021400000000 ] - [ 0.0019452400000000, 0.0019420100000000, 0.0000884800000000 ] - [ 0.0007560100000000, 0.0004264500000000, 0.0002935700000000 ] - [ -0.0010292400000000, 0.0019799200000000, 0.0007910200000000 ] - [ -0.0003268000000000, -0.0003855000000000, -0.0002514900000000 ] - [ -0.0003678500000000, -0.0005142500000000, -0.0002645100000000 ] - [ 0.0000478400000000, 0.0003956800000000, 0.0002055500000000 ] - [ -0.0005194400000000, -0.0001596400000000, -0.0000820000000000 ] - [ -0.0002588300000000, 0.0002458500000000, 0.0001653800000000 ] - [ 0.0006668600000000, -0.0001048700000000, -0.0002963400000000 ] - [ 0.0002757500000000, 0.0000127700000000, -0.0001435200000000 ] - [ -0.0003971400000000, -0.0002456000000000, -0.0001807000000000 ] - [ 0.0000374600000000, 0.0000149000000000, -0.0002079800000000 ] - [ 0.0003545300000000, 0.0009714600000000, -0.0020491200000000 ] - [ -0.0002635600000000, -0.0006097100000000, -0.0018170300000000 ] - [ 0.0012311000000000, -0.0010062400000000, -0.0023593900000000 ] - [ -0.0003178500000000, -0.0001311700000000, 0.0003311700000000 ] - [ -0.0002920300000000, -0.0003065000000000, -0.0001758400000000 ] - [ -0.0039856600000000, 0.0027657200000000, 0.0015982800000000 ] - [ 0.0002846900000000, -0.0005661200000000, 0.0001888300000000 ] - [ -0.0007127700000000, -0.0000389300000000, 0.0000160800000000 ] - [ 0.0003629600000000, -0.0002153500000000, 0.0001580100000000 ] - [ 0.0000240500000000, -0.0007079300000000, -0.0006982000000000 ] - [ -0.0002266300000000, -0.0000178500000000, 0.0003914800000000 ] - [ 0.0004454000000000, 0.0001551400000000, -0.0001636700000000 ] - [ -0.0003407600000000, 0.0004634000000000, 0.0001812600000000 ] - [ 0.0001309800000000, -0.0001326100000000, 0.0003228300000000 ] - [ 0.0005249100000000, -0.0003635900000000, 0.0002261600000000 ] - [ -0.0011409700000000, -0.0003611600000000, 0.0000192500000000 ] - [ -0.0003755300000000, 0.0000681000000000, 0.0000921200000000 ] - [ 0.0000306400000000, -0.0007427600000000, -0.0004306700000000 ] - [ 0.0003225400000000, -0.0000798200000000, -0.0003359100000000 ] - [ 0.0003037600000000, -0.0002149700000000, -0.0006635500000000 ] - [ 0.0001515200000000, -0.0001636100000000, 0.0002575400000000 ] - [ -0.0009315100000000, -0.0010311700000000, 0.0000956400000000 ] - [ 0.0003314200000000, -0.0008378300000000, -0.0005908500000000 ] - [ 0.0001299700000000, 0.0000857800000000, -0.0001465900000000 ] - [ 0.0004994100000000, -0.0000061700000000, 0.0000928400000000 ] - [ 0.0000134400000000, -0.0000407100000000, 0.0002330800000000 ] - [ -0.0007526900000000, -0.0010077000000000, 0.0007408200000000 ] - [ 0.0005612800000000, 0.0002182200000000, 0.0002690200000000 ] - [ -0.0004264700000000, 0.0000275800000000, -0.0001969900000000 ] - [ -0.0005525800000000, -0.0000137200000000, -0.0012370700000000 ] - [ -0.0004442300000000, -0.0004691600000000, 0.0004839100000000 ] - [ -0.0006432100000000, -0.0004017400000000, -0.0000601000000000 ] - [ -0.0000658400000000, 0.0003087900000000, 0.0003149500000000 ] - [ -0.0006616000000000, -0.0000426600000000, -0.0002849900000000 ] - [ -0.0001165000000000, -0.0005598600000000, 0.0008117200000000 ] - [ -0.0004929000000000, -0.0002976000000000, -0.0004878100000000 ] - [ 0.0000355100000000, -0.0008650100000000, 0.0002427700000000 ] - [ -0.0003172200000000, -0.0007300400000000, -0.0003062700000000 ] - [ -0.0000298800000000, -0.0008973000000000, 0.0006636700000000 ] - [ 0.0002206800000000, -0.0006772800000000, 0.0004279700000000 ] - [ -0.0002163800000000, -0.0001978500000000, 0.0007624600000000 ] - [ 0.0013007100000000, -0.0062393800000000, -0.0079199200000000 ] - [ -0.0008843100000000, 0.0030839900000000, -0.0012993000000000 ] - [ 0.0000876400000000, -0.0002166000000000, 0.0005504600000000 ] - [ -0.0000500900000000, 0.0012425900000000, -0.0006686300000000 ] - [ 0.0003683200000000, -0.0003476300000000, -0.0003441700000000 ] - [ 0.0005753600000000, 0.0001210800000000, -0.0012413400000000 ] - [ 0.0002889300000000, 0.0001371800000000, -0.0002613600000000 ] - [ 0.0003702600000000, 0.0000162500000000, 0.0003569600000000 ] - [ -0.0000759500000000, -0.0001684300000000, -0.0000734700000000 ] - [ 0.0002845400000000, 0.0004007000000000, -0.0000541900000000 ] - [ 0.0005896900000000, 0.0001861100000000, 0.0003279700000000 ] - [ 0.0009553400000000, -0.0002197500000000, -0.0009314700000000 ] - [ -0.0001125900000000, -0.0008860600000000, 0.0002630700000000 ] - [ -0.0009228200000000, -0.0000094500000000, 0.0003397100000000 ] - [ -0.0001731500000000, 0.0003020800000000, 0.0002342900000000 ] - [ -0.0000062700000000, -0.0006004200000000, -0.0000835600000000 ] - [ 0.0003554200000000, -0.0004061200000000, 0.0000638300000000 ] - [ -0.0000973900000000, -0.0004088400000000, -0.0001014100000000 ] - [ 0.0003766600000000, 0.0005587000000000, -0.0002759400000000 ] - [ 0.0002844700000000, 0.0003930300000000, 0.0000050900000000 ] - [ 0.0004061800000000, 0.0004269100000000, -0.0000208100000000 ] - [ 0.0003975400000000, -0.0000509000000000, -0.0003738200000000 ] - [ 0.0005835000000000, -0.0077302800000000, 0.0051062400000000 ]- atom: 84 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0002821300000000, -0.0002687900000000, 0.0005591200000000 ] - [ -0.0001395200000000, 0.0001088000000000, -0.0006337200000000 ] - [ -0.0000093900000000, 0.0000341200000000, -0.0001217500000000 ] - [ -0.0002368800000000, 0.0001738400000000, 0.0002102400000000 ] - [ -0.0007880700000000, -0.0001048000000000, 0.0001670600000000 ] - [ 0.0008427300000000, -0.0021547400000000, 0.0013940600000000 ] - [ -0.0005298000000000, 0.0000796600000000, -0.0007658200000000 ] - [ 0.0004704800000000, -0.0002401700000000, 0.0002903400000000 ] - [ 0.0000594300000000, 0.0001244800000000, -0.0004028300000000 ] - [ -0.0001621500000000, 0.0001586400000000, 0.0002630400000000 ] - [ -0.0003549200000000, 0.0001282700000000, 0.0020882000000000 ] - [ 0.0002284300000000, 0.0005181600000000, -0.0009960500000000 ] - [ -0.0000320300000000, -0.0002446200000000, -0.0003695300000000 ] - [ -0.0000798300000000, -0.0000941400000000, -0.0000806100000000 ] - [ -0.0000405700000000, -0.0001242000000000, 0.0001632300000000 ] - [ 0.0001645500000000, -0.0000983000000000, -0.0000702600000000 ] - [ -0.0017002900000000, -0.0024390900000000, 0.0038999400000000 ] - [ -0.0006696000000000, 0.0013579800000000, -0.0007549100000000 ] - [ -0.0006448700000000, 0.0002549400000000, 0.0017642100000000 ] - [ -0.0005823500000000, -0.0003092300000000, -0.0002397400000000 ] - [ -0.0003996200000000, 0.0002743500000000, 0.0006086200000000 ] - [ -0.0002649300000000, -0.0000534300000000, -0.0006902200000000 ] - [ 0.0006349100000000, 0.0006815500000000, -0.0013894300000000 ] - [ -0.0001602800000000, -0.0002021300000000, 0.0007428100000000 ] - [ -0.0003470900000000, -0.0002014400000000, -0.0004728100000000 ] - [ -0.0009341400000000, 0.0007094400000000, -0.0007206200000000 ] - [ 0.0004584100000000, -0.0002689800000000, -0.0006828300000000 ] - [ -0.0057824600000000, -0.0034426400000000, -0.0059949100000000 ] - [ 0.0007966100000000, -0.0007907100000000, -0.0007517600000000 ] - [ 0.0000421100000000, 0.0005072700000000, 0.0009627400000000 ] - [ -0.0000122400000000, -0.0000360900000000, 0.0001918000000000 ] - [ 0.0004841000000000, 0.0003896200000000, -0.0014866500000000 ] - [ -0.0003180900000000, 0.0008496600000000, 0.0007226000000000 ] - [ -0.0000153300000000, 0.0003581400000000, -0.0019419400000000 ] - [ -0.0012542800000000, -0.0006150800000000, 0.0000066200000000 ] - [ 0.0001241900000000, -0.0002760900000000, 0.0012151900000000 ] - [ 0.0009615400000000, 0.0010525900000000, 0.0021990400000000 ] - [ 0.0067314200000000, 0.0215142100000000, 0.0127858200000000 ] - [ -0.0007835300000000, -0.0001235100000000, 0.0009786900000000 ] - [ 0.0021741400000000, -0.0017865600000000, 0.0000518900000000 ] - [ 0.1847066200000000, 0.0178141800000000, 0.3342476700000000 ] - [ -0.0010660000000000, 0.0009810500000000, -0.0016314400000000 ] - [ 0.0000922000000000, -0.0005920300000000, 0.0003771700000000 ] - [ 0.0002131800000000, 0.0000812700000000, -0.0013371700000000 ] - [ 0.0015202300000000, 0.0003138900000000, -0.0001384400000000 ] - [ -0.0001956200000000, 0.0000891000000000, 0.0000597400000000 ] - [ 0.0003290000000000, 0.0005483700000000, 0.0000739100000000 ] - [ -0.0013381000000000, 0.0001725300000000, -0.0017140800000000 ] - [ 0.0001293800000000, -0.0007155600000000, -0.0005916500000000 ] - [ -0.0062247200000000, 0.0025867000000000, -0.0011382400000000 ] - [ -0.0009735300000000, 0.0002076700000000, -0.0005042000000000 ] - [ -0.0007484200000000, 0.0001349600000000, -0.0001178000000000 ] - [ 0.0007565200000000, 0.0024238100000000, 0.0015808900000000 ] - [ -0.0012380900000000, 0.0009794700000000, 0.0033114800000000 ] - [ -0.0024620400000000, -0.0014546800000000, 0.0000959700000000 ] - [ -0.0019385100000000, 0.0020469000000000, 0.0015630200000000 ] - [ 0.0005987900000000, 0.0007146800000000, -0.0020604600000000 ] - [ 0.0004299800000000, 0.0006129500000000, 0.0001194200000000 ] - [ -0.0001274100000000, -0.0014311900000000, -0.0034620800000000 ] - [ 0.0007722100000000, 0.0007758300000000, 0.0002471500000000 ] - [ 0.0005026800000000, 0.0000789500000000, -0.0006333500000000 ] - [ -0.0009043400000000, 0.0000842600000000, -0.0001293900000000 ] - [ -0.0001760200000000, 0.0002737300000000, -0.0029884700000000 ] - [ -0.0002696300000000, -0.0002842700000000, 0.0002833800000000 ] - [ -0.0004005500000000, 0.0005178900000000, -0.0007953400000000 ] - [ -0.0018778700000000, 0.0028857900000000, 0.0009708500000000 ] - [ 0.0023588500000000, -0.0005734200000000, -0.0047080800000000 ] - [ -0.0072154800000000, 0.0049820000000000, 0.0004060300000000 ] - [ 0.0010492300000000, -0.0000476500000000, -0.0005405500000000 ] - [ 0.0007029200000000, -0.0061713100000000, -0.0039601800000000 ] - [ 0.0007045200000000, 0.0005235900000000, 0.0010910100000000 ] - [ -0.0032476300000000, -0.0013283500000000, 0.0000663100000000 ] - [ 0.0013654900000000, 0.0000203500000000, 0.0003516000000000 ] - [ 0.0006316500000000, 0.0000653800000000, -0.0002206000000000 ] - [ -0.0003355500000000, 0.0004615800000000, 0.0001489900000000 ] - [ 0.0012872800000000, -0.0008313200000000, -0.0042440100000000 ] - [ -0.0002094600000000, -0.0004909300000000, 0.0001139400000000 ] - [ -0.0001890600000000, -0.0006957200000000, -0.0007213000000000 ] - [ -0.0015132700000000, -0.0013880200000000, -0.0003072000000000 ] - [ 0.0001785300000000, -0.0001026500000000, -0.0012912100000000 ] - [ -0.0011308300000000, -0.0006271000000000, 0.0011254700000000 ] - [ 0.0010329800000000, -0.0012081000000000, -0.0003361800000000 ] - [ 0.0001186800000000, 0.0008453700000000, -0.0001593300000000 ] - [ -0.2227763700000000, -0.0194662900000000, -0.3877446200000000 ] - [ 0.0024067900000000, -0.0025982200000000, -0.0029089500000000 ] - [ 0.0000996900000000, 0.0003622900000000, 0.0001054500000000 ] - [ -0.0013718200000000, -0.0051410800000000, -0.0003894600000000 ] - [ -0.0001243100000000, -0.0000984900000000, 0.0004007400000000 ] - [ 0.0000832800000000, -0.0002900800000000, -0.0004039200000000 ] - [ 0.0003545200000000, 0.0003224100000000, 0.0006226100000000 ] - [ 0.0005100300000000, 0.0003275200000000, -0.0004361200000000 ] - [ -0.0012751900000000, 0.0007507800000000, -0.0005035500000000 ] - [ -0.0002664200000000, -0.0012555700000000, -0.0010094000000000 ] - [ 0.0001122100000000, -0.0001642500000000, 0.0005929600000000 ] - [ 0.0011943000000000, -0.0009331800000000, -0.0008002900000000 ] - [ 0.0006052800000000, 0.0009636800000000, 0.0006025600000000 ] - [ 0.0007185100000000, -0.0010283000000000, 0.0001119500000000 ] - [ 0.0000923200000000, -0.0001455200000000, -0.0005991900000000 ] - [ -0.0024120200000000, 0.0003315500000000, 0.0011853800000000 ] - [ 0.0005247200000000, 0.0001442300000000, 0.0002046700000000 ] - [ -0.0002395100000000, 0.0002410300000000, -0.0000712200000000 ] - [ -0.0000955900000000, -0.0004324000000000, -0.0002289900000000 ] - [ 0.0007430900000000, 0.0000652000000000, 0.0003839000000000 ] - [ 0.0012300700000000, 0.0016196900000000, 0.0004850600000000 ] - [ 0.0173274200000000, 0.0102801500000000, 0.0191456200000000 ] - [ 0.0006412700000000, 0.0003787900000000, 0.0000232600000000 ] - [ 0.0004278000000000, -0.0000235100000000, 0.0001829800000000 ] - [ 0.0007641500000000, 0.0000285500000000, -0.0004764500000000 ] - [ -0.0012444600000000, 0.0024033000000000, 0.0013740600000000 ] - [ -0.0003378900000000, -0.0003799800000000, 0.0004081900000000 ] - [ 0.0005397800000000, 0.0004355200000000, 0.0000764500000000 ] - [ 0.0003830600000000, -0.0001805900000000, 0.0010842100000000 ] - [ -0.0001569800000000, 0.0003164500000000, -0.0001585300000000 ] - [ 0.0003424000000000, -0.0000471500000000, 0.0001513000000000 ] - [ -0.0002932000000000, -0.0002514400000000, -0.0001483800000000 ] - [ 0.0004341600000000, -0.0008614300000000, 0.0001938100000000 ] - [ -0.0003955000000000, -0.0004142500000000, -0.0006971200000000 ] - [ 0.0004654300000000, 0.0004859000000000, 0.0003473500000000 ] - [ -0.0000880200000000, 0.0002372500000000, 0.0001880700000000 ] - [ -0.0005150900000000, 0.0002631400000000, 0.0001717000000000 ] - [ -0.0007452500000000, 0.0001002600000000, -0.0002607000000000 ] - [ 0.0078877700000000, -0.0015874800000000, -0.0001704200000000 ] - [ -0.0005254800000000, -0.0000995000000000, 0.0015082800000000 ] - [ 0.0020424100000000, 0.0023199800000000, -0.0009788600000000 ] - [ 0.0000160700000000, 0.0005502000000000, -0.0001795500000000 ] - [ -0.0003876000000000, -0.0002213500000000, 0.0001553000000000 ] - [ 0.0005794100000000, -0.0000329800000000, 0.0001655100000000 ] - [ 0.0005865500000000, 0.0001678200000000, -0.0003778800000000 ] - [ 0.0011941400000000, -0.0004040600000000, -0.0017013300000000 ] - [ 0.0005355500000000, -0.0000567700000000, 0.0003449100000000 ] - [ -0.0000527000000000, -0.0002703100000000, -0.0001656000000000 ] - [ 0.0000269000000000, -0.0005530000000000, 0.0001930500000000 ] - [ -0.0001753900000000, 0.0006993500000000, -0.0001972400000000 ] - [ 0.0021075800000000, -0.0000949400000000, -0.0003426700000000 ] - [ 0.0004089200000000, -0.0001120200000000, -0.0010771000000000 ] - [ 0.0027595500000000, -0.0002734700000000, -0.0014960500000000 ] - [ 0.0002557400000000, -0.0003021700000000, 0.0001420300000000 ] - [ -0.0001052300000000, -0.0008268700000000, -0.0003573400000000 ] - [ -0.0006813200000000, 0.0003453100000000, 0.0008732800000000 ] - [ 0.0004325900000000, -0.0001403900000000, 0.0002210900000000 ] - [ 0.0003689900000000, 0.0001818100000000, -0.0006319500000000 ] - [ 0.0099136400000000, -0.0243783700000000, 0.0174016200000000 ] - [ -0.0015855600000000, -0.0005129400000000, -0.0000062200000000 ] - [ 0.0000193100000000, 0.0003838100000000, 0.0000802700000000 ] - [ 0.0027015300000000, -0.0017662500000000, 0.0011625300000000 ] - [ 0.0009383900000000, -0.0006344200000000, -0.0011419600000000 ] - [ -0.0000425900000000, -0.0006540700000000, -0.0000754100000000 ] - [ -0.0000280600000000, 0.0005073700000000, -0.0004520900000000 ] - [ -0.0001027200000000, -0.0004059000000000, -0.0009840200000000 ] - [ 0.0007954000000000, 0.0001545200000000, 0.0005411200000000 ] - [ 0.0027380300000000, -0.0009353800000000, -0.0004001600000000 ] - [ -0.0000186500000000, -0.0004030000000000, 0.0001461900000000 ] - [ -0.0000779600000000, -0.0002204300000000, -0.0005003800000000 ] - [ 0.0000456100000000, 0.0005828700000000, 0.0004897100000000 ] - [ 0.0000148700000000, 0.0007154300000000, 0.0008347300000000 ] - [ -0.0000472500000000, 0.0004180700000000, 0.0004926300000000 ] - [ 0.0007875400000000, -0.0001720900000000, -0.0000449000000000 ] - [ -0.0000138600000000, 0.0004222500000000, -0.0007398900000000 ] - [ -0.0002025500000000, -0.0004282300000000, 0.0000911300000000 ] - [ -0.0002401500000000, -0.0002199400000000, -0.0017899300000000 ] - [ -0.0011997200000000, -0.0009450900000000, 0.0028533800000000 ] - [ 0.0004934200000000, 0.0017408600000000, 0.0043351600000000 ] - [ -0.0012271100000000, 0.0021539700000000, 0.0024140000000000 ] - [ -0.0005077200000000, 0.0002429400000000, 0.0002497400000000 ] - [ -0.0001842600000000, -0.0003905600000000, -0.0000040500000000 ] - [ 0.0018186600000000, -0.0007094100000000, -0.0024937300000000 ] - [ -0.0000778900000000, -0.0002239200000000, 0.0005922000000000 ] - [ 0.0006269700000000, 0.0009678800000000, 0.0010230600000000 ] - [ 0.0002937700000000, -0.0007062800000000, 0.0008105800000000 ] - [ -0.0001254900000000, -0.0002640100000000, -0.0007158900000000 ] - [ -0.0003335700000000, 0.0002178000000000, 0.0002951300000000 ] - [ 0.0001765300000000, -0.0004848200000000, -0.0006222700000000 ] - [ -0.0000204800000000, 0.0002614100000000, 0.0003659700000000 ] - [ -0.0000184400000000, -0.0003903300000000, 0.0004831000000000 ] - [ 0.0002390400000000, -0.0000548100000000, -0.0000195900000000 ] - [ 0.0001964000000000, -0.0000101100000000, 0.0000747400000000 ] - [ -0.0001933700000000, 0.0003662000000000, 0.0003645700000000 ] - [ -0.0000734100000000, -0.0004182400000000, -0.0005702800000000 ] - [ 0.0002910200000000, 0.0004134600000000, 0.0027736000000000 ] - [ 0.0001172000000000, 0.0007044400000000, 0.0003316700000000 ] - [ 0.0005273200000000, -0.0002477700000000, 0.0002988200000000 ] - [ 0.0003815200000000, 0.0008035600000000, -0.0009317900000000 ] - [ -0.0000110100000000, 0.0000142300000000, -0.0007700300000000 ] - [ 0.0006215400000000, 0.0003308300000000, -0.0006608800000000 ] - [ 0.0002674400000000, 0.0001437300000000, 0.0000421800000000 ] - [ -0.0002256200000000, 0.0002958500000000, 0.0008520400000000 ] - [ -0.0010146800000000, -0.0023197700000000, 0.0001942600000000 ] - [ 0.0016650400000000, -0.0034605100000000, -0.0006037000000000 ] - [ -0.0002711900000000, 0.0000146100000000, 0.0004185000000000 ] - [ 0.0005585200000000, 0.0005923900000000, -0.0001542800000000 ] - [ -0.0004048100000000, 0.0004072600000000, 0.0001886900000000 ] - [ -0.0012270000000000, 0.0001694300000000, -0.0003010300000000 ] - [ -0.0002400300000000, 0.0001860900000000, 0.0007100200000000 ] - [ -0.0005041800000000, 0.0000499000000000, -0.0000691800000000 ] - [ -0.0001571300000000, -0.0002654200000000, 0.0004186400000000 ] - [ 0.0001536500000000, 0.0000100000000000, -0.0000239800000000 ] - [ -0.0000472500000000, -0.0002234600000000, -0.0003134500000000 ] - [ -0.0003036800000000, -0.0002163100000000, -0.0005897700000000 ] - [ -0.0000795300000000, -0.0007069700000000, 0.0007818000000000 ] - [ 0.0001508700000000, -0.0002953600000000, 0.0005581200000000 ] - [ -0.0003020800000000, -0.0001487000000000, 0.0012994200000000 ] - [ -0.0003203000000000, 0.0103955700000000, 0.0088301000000000 ] - [ 0.0104011000000000, -0.0038248000000000, 0.0055992800000000 ] - [ 0.0001969600000000, -0.0002393800000000, 0.0001849800000000 ] - [ -0.0006740700000000, 0.0008428600000000, 0.0009578800000000 ] - [ 0.0009139400000000, -0.0000878200000000, 0.0005122000000000 ] - [ -0.0002834900000000, 0.0002702700000000, 0.0023115400000000 ] - [ 0.0001023400000000, 0.0004187100000000, 0.0001244900000000 ] - [ 0.0003858300000000, -0.0006530900000000, 0.0022242100000000 ] - [ -0.0000557200000000, -0.0006250200000000, -0.0001783800000000 ] - [ -0.0000647900000000, 0.0001232200000000, -0.0003389400000000 ] - [ 0.0000147500000000, -0.0002652900000000, 0.0014151800000000 ] - [ -0.0008081100000000, 0.0008687500000000, 0.0004516800000000 ] - [ 0.0000096500000000, -0.0007173500000000, 0.0003860000000000 ] - [ -0.0007516700000000, -0.0000947600000000, 0.0003825300000000 ] - [ 0.0000414800000000, 0.0001206200000000, 0.0010716300000000 ] - [ 0.0000168500000000, -0.0004575600000000, 0.0000814200000000 ] - [ -0.0000611800000000, -0.0005040300000000, 0.0007279400000000 ] - [ -0.0003986700000000, -0.0011983500000000, 0.0009146900000000 ] - [ 0.0001559300000000, 0.0002330400000000, -0.0002460400000000 ] - [ 0.0002286600000000, 0.0008077700000000, 0.0003585700000000 ] - [ 0.0007848100000000, -0.0001849800000000, -0.0002717800000000 ] - [ 0.0003899900000000, 0.0004107300000000, 0.0000927200000000 ] - [ -0.0044973000000000, -0.0000134800000000, -0.0069173000000000 ]- atom: 84 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0001643900000000, 0.0003849900000000, -0.0006774900000000 ] - [ 0.0000203800000000, 0.0000135500000000, 0.0007538500000000 ] - [ 0.0001306700000000, 0.0000868900000000, 0.0000022100000000 ] - [ 0.0001167400000000, -0.0000515900000000, -0.0000914400000000 ] - [ 0.0006669100000000, -0.0000166100000000, -0.0002871000000000 ] - [ -0.0007155800000000, 0.0020303500000000, -0.0012650900000000 ] - [ 0.0006492500000000, -0.0002001400000000, 0.0008872200000000 ] - [ -0.0005933700000000, 0.0001182500000000, -0.0004106600000000 ] - [ 0.0000603500000000, -0.0000040000000000, 0.0002828200000000 ] - [ 0.0000405800000000, -0.0000368400000000, -0.0001432300000000 ] - [ 0.0005618300000000, 0.0000957500000000, -0.0027539500000000 ] - [ -0.0003484700000000, -0.0003939000000000, 0.0011133800000000 ] - [ -0.0000902500000000, 0.0001228000000000, 0.0002497500000000 ] - [ 0.0002020500000000, -0.0000264200000000, 0.0001998100000000 ] - [ 0.0001629800000000, 0.0000036500000000, -0.0000443300000000 ] - [ -0.0002843600000000, -0.0000226600000000, -0.0000475000000000 ] - [ 0.0015661500000000, 0.0023545200000000, -0.0038206300000000 ] - [ 0.0007324800000000, -0.0014279900000000, 0.0006812400000000 ] - [ 0.0007186100000000, -0.0001873900000000, -0.0016950300000000 ] - [ 0.0005124100000000, 0.0003781900000000, 0.0001645000000000 ] - [ 0.0004711100000000, -0.0002006300000000, -0.0005307600000000 ] - [ 0.0001908100000000, 0.0001229300000000, 0.0006163200000000 ] - [ -0.0007115500000000, -0.0007541100000000, 0.0014607700000000 ] - [ 0.0002309100000000, 0.0001321800000000, -0.0008192100000000 ] - [ 0.0002758400000000, 0.0001316600000000, 0.0005496100000000 ] - [ 0.0010087600000000, -0.0007801600000000, 0.0006459700000000 ] - [ -0.0003845800000000, 0.0003400800000000, 0.0007572800000000 ] - [ 0.0056640600000000, 0.0035061100000000, 0.0058905600000000 ] - [ -0.0007264600000000, 0.0008670400000000, 0.0008274400000000 ] - [ -0.0001157600000000, -0.0004347600000000, -0.0010379400000000 ] - [ -0.0000541000000000, -0.0000356900000000, -0.0001158700000000 ] - [ -0.0004090300000000, -0.0004608300000000, 0.0014116100000000 ] - [ 0.0010836900000000, 0.0003287600000000, -0.0004338100000000 ] - [ -0.0002778200000000, 0.0004055100000000, 0.0007621400000000 ] - [ 0.0015416300000000, -0.0001439200000000, -0.0011849700000000 ] - [ 0.0001620500000000, 0.0010384200000000, -0.0000394600000000 ] - [ -0.0002076500000000, -0.0007437400000000, -0.0010176700000000 ] - [ -0.0078314500000000, -0.0216766400000000, -0.0118930100000000 ] - [ 0.0000296200000000, -0.0001627100000000, 0.0002043000000000 ] - [ -0.0033596500000000, 0.0010298100000000, 0.0002296900000000 ] - [ -0.1724806600000000, -0.0155646400000000, -0.3200762900000000 ] - [ 0.0003012500000000, 0.0001994400000000, 0.0013429700000000 ] - [ 0.0006695400000000, -0.0005862800000000, -0.0006661900000000 ] - [ 0.0005447700000000, -0.0003658000000000, 0.0001587100000000 ] - [ -0.0003408500000000, -0.0006048900000000, -0.0006278700000000 ] - [ 0.0013756300000000, 0.0006727100000000, 0.0002319700000000 ] - [ -0.0000355000000000, 0.0006326100000000, 0.0006909600000000 ] - [ 0.0001609600000000, 0.0005889700000000, 0.0014253100000000 ] - [ 0.0010503600000000, -0.0000415500000000, 0.0003035700000000 ] - [ 0.0074491800000000, -0.0023277500000000, 0.0019452100000000 ] - [ -0.0002050600000000, 0.0000765700000000, -0.0002547000000000 ] - [ -0.0000084600000000, 0.0001522900000000, -0.0010642700000000 ] - [ -0.0010479000000000, -0.0036067100000000, -0.0008323100000000 ] - [ 0.0004495100000000, -0.0021348200000000, -0.0030394900000000 ] - [ 0.0021833600000000, 0.0006913600000000, 0.0010779300000000 ] - [ 0.0022175000000000, -0.0032365000000000, -0.0023242600000000 ] - [ 0.0001544600000000, 0.0004665000000000, 0.0023449800000000 ] - [ -0.0007160300000000, 0.0001461400000000, -0.0012994900000000 ] - [ 0.0004182800000000, 0.0006783700000000, 0.0022830900000000 ] - [ -0.0004859300000000, -0.0000195300000000, 0.0009344700000000 ] - [ 0.0002569800000000, 0.0002099500000000, 0.0018104200000000 ] - [ -0.0002699500000000, -0.0003721700000000, 0.0008896500000000 ] - [ -0.0005824000000000, -0.0005592300000000, 0.0041699700000000 ] - [ -0.0009070900000000, -0.0004770300000000, 0.0000061900000000 ] - [ 0.0001171000000000, 0.0006589000000000, 0.0000325400000000 ] - [ 0.0011233700000000, -0.0017061600000000, -0.0012651200000000 ] - [ -0.0015971500000000, -0.0006066600000000, 0.0044128100000000 ] - [ 0.0079872000000000, -0.0052684300000000, -0.0016039300000000 ] - [ 0.0001346400000000, -0.0002436200000000, -0.0002203700000000 ] - [ 0.0004801300000000, 0.0069254900000000, 0.0042392700000000 ] - [ -0.0004220100000000, 0.0006583400000000, -0.0003318300000000 ] - [ 0.0020561900000000, 0.0020873600000000, -0.0003541800000000 ] - [ -0.0001891700000000, -0.0007820800000000, -0.0006355400000000 ] - [ 0.0005529000000000, 0.0002194100000000, 0.0009802100000000 ] - [ -0.0008473500000000, -0.0001729200000000, -0.0009119300000000 ] - [ -0.0020460500000000, 0.0011187700000000, 0.0030617500000000 ] - [ -0.0000760500000000, -0.0006899800000000, 0.0006440100000000 ] - [ -0.0005739800000000, -0.0004828500000000, 0.0010098200000000 ] - [ 0.0012217100000000, 0.0006286700000000, 0.0014886700000000 ] - [ 0.0001137600000000, -0.0010744500000000, 0.0005302500000000 ] - [ 0.0007610300000000, 0.0001512900000000, -0.0017622400000000 ] - [ -0.0009139000000000, 0.0025347000000000, 0.0008312500000000 ] - [ -0.0007550300000000, -0.0004595800000000, 0.0006558700000000 ] - [ 0.2093658300000000, 0.0191769500000000, 0.3732569800000000 ] - [ -0.0010929800000000, 0.0024666500000000, 0.0023791300000000 ] - [ 0.0003253100000000, 0.0003810800000000, -0.0005343600000000 ] - [ 0.0006187000000000, 0.0046648800000000, -0.0000239400000000 ] - [ -0.0003802200000000, 0.0002200900000000, -0.0017100200000000 ] - [ -0.0004916800000000, -0.0004538800000000, -0.0000345600000000 ] - [ -0.0002333000000000, 0.0001832700000000, 0.0006851700000000 ] - [ -0.0001362700000000, 0.0003134000000000, -0.0000492300000000 ] - [ 0.0005352800000000, -0.0003404400000000, 0.0009439900000000 ] - [ -0.0001680100000000, 0.0005107100000000, 0.0005972300000000 ] - [ 0.0002681500000000, -0.0003295900000000, 0.0000474100000000 ] - [ -0.0007698300000000, 0.0001839000000000, 0.0012309300000000 ] - [ -0.0010470300000000, -0.0005566200000000, 0.0001436100000000 ] - [ -0.0000749400000000, 0.0005320500000000, 0.0002703300000000 ] - [ 0.0000297600000000, -0.0003586200000000, -0.0007081400000000 ] - [ 0.0019189900000000, 0.0000512600000000, -0.0005400900000000 ] - [ -0.0001416600000000, 0.0003515700000000, -0.0008451400000000 ] - [ -0.0002550900000000, 0.0004007300000000, 0.0004522400000000 ] - [ 0.0005707100000000, -0.0002099000000000, 0.0005954600000000 ] - [ 0.0005638300000000, 0.0000576000000000, 0.0001194700000000 ] - [ -0.0025485800000000, -0.0021373400000000, -0.0003635200000000 ] - [ -0.0176352700000000, -0.0095023100000000, -0.0183765400000000 ] - [ -0.0001551800000000, -0.0000044800000000, -0.0006639900000000 ] - [ 0.0000805200000000, 0.0001448100000000, 0.0011268900000000 ] - [ -0.0003253300000000, 0.0003781700000000, -0.0002678600000000 ] - [ 0.0017545100000000, -0.0027965900000000, -0.0007323800000000 ] - [ -0.0004064900000000, -0.0000468800000000, -0.0008361200000000 ] - [ 0.0002034200000000, -0.0000176300000000, -0.0005103600000000 ] - [ 0.0002559600000000, 0.0005537600000000, -0.0015713700000000 ] - [ 0.0014673400000000, 0.0001913100000000, 0.0002810200000000 ] - [ -0.0007228500000000, 0.0005418700000000, 0.0004893900000000 ] - [ -0.0003521800000000, -0.0002484200000000, -0.0002354600000000 ] - [ 0.0000724900000000, -0.0004475000000000, -0.0003140500000000 ] - [ -0.0002443200000000, 0.0000373700000000, 0.0002089500000000 ] - [ -0.0005881000000000, 0.0000256400000000, -0.0016534900000000 ] - [ -0.0006540200000000, 0.0001980800000000, 0.0002266100000000 ] - [ -0.0007885900000000, 0.0002445100000000, -0.0002916900000000 ] - [ 0.0003439400000000, 0.0003400000000000, 0.0010043900000000 ] - [ -0.0093477600000000, 0.0017194500000000, -0.0004909000000000 ] - [ 0.0004051000000000, -0.0004139200000000, -0.0002031400000000 ] - [ -0.0025157700000000, -0.0026838300000000, 0.0003353500000000 ] - [ -0.0001370700000000, 0.0007609200000000, -0.0003232300000000 ] - [ -0.0000386700000000, -0.0002030100000000, -0.0008996200000000 ] - [ -0.0001455600000000, -0.0003846200000000, 0.0005783200000000 ] - [ 0.0000545000000000, -0.0005493300000000, 0.0008756800000000 ] - [ -0.0017072600000000, 0.0002775000000000, 0.0030278000000000 ] - [ 0.0002046900000000, -0.0003639400000000, 0.0000866700000000 ] - [ -0.0003614800000000, -0.0001673300000000, -0.0005773900000000 ] - [ 0.0007184200000000, 0.0001298100000000, 0.0002402300000000 ] - [ -0.0003337900000000, 0.0006070700000000, 0.0000769000000000 ] - [ -0.0007994000000000, -0.0004086900000000, 0.0002210600000000 ] - [ 0.0000960000000000, -0.0000094700000000, -0.0002265200000000 ] - [ -0.0022650300000000, 0.0009223900000000, 0.0011040200000000 ] - [ 0.0001072900000000, -0.0003384500000000, 0.0003317000000000 ] - [ 0.0002280800000000, -0.0004842800000000, -0.0001517500000000 ] - [ 0.0002837000000000, 0.0003027900000000, -0.0003499300000000 ] - [ -0.0000169800000000, -0.0002922400000000, 0.0005261200000000 ] - [ 0.0000332400000000, 0.0002622600000000, -0.0001104200000000 ] - [ -0.0098019400000000, 0.0226125300000000, -0.0164846800000000 ] - [ 0.0002846900000000, 0.0003923100000000, 0.0005184000000000 ] - [ -0.0004523100000000, 0.0003602700000000, 0.0003430300000000 ] - [ -0.0030983100000000, 0.0011275800000000, -0.0016653900000000 ] - [ -0.0004926700000000, -0.0001043300000000, 0.0015436000000000 ] - [ -0.0004648900000000, -0.0006526900000000, 0.0001972700000000 ] - [ 0.0006734200000000, -0.0000113100000000, 0.0000726500000000 ] - [ 0.0006189800000000, 0.0016963500000000, 0.0011047200000000 ] - [ -0.0003832200000000, 0.0005853800000000, -0.0009792800000000 ] - [ -0.0019962700000000, 0.0013695300000000, -0.0000315300000000 ] - [ -0.0004813500000000, -0.0002386300000000, -0.0005308100000000 ] - [ -0.0003010100000000, -0.0002734800000000, -0.0001422400000000 ] - [ 0.0000747200000000, 0.0007259200000000, 0.0000224700000000 ] - [ -0.0006542400000000, -0.0003321000000000, -0.0003409200000000 ] - [ -0.0003858000000000, 0.0003227800000000, -0.0000705100000000 ] - [ 0.0005122500000000, 0.0000509600000000, -0.0004674000000000 ] - [ 0.0004530200000000, 0.0003222400000000, 0.0003346000000000 ] - [ -0.0005404800000000, -0.0000084100000000, -0.0005049700000000 ] - [ -0.0002660900000000, 0.0003371200000000, 0.0004930000000000 ] - [ 0.0007778700000000, 0.0002027100000000, -0.0032786800000000 ] - [ -0.0003745600000000, -0.0012367900000000, -0.0030398500000000 ] - [ 0.0016153800000000, -0.0015032500000000, -0.0029116800000000 ] - [ -0.0002362700000000, 0.0001770000000000, 0.0001824500000000 ] - [ -0.0002599000000000, -0.0003511500000000, -0.0003974300000000 ] - [ -0.0014019200000000, 0.0002106900000000, 0.0031350100000000 ] - [ 0.0004943300000000, -0.0005214500000000, -0.0001594200000000 ] - [ -0.0010708800000000, -0.0005651300000000, -0.0002844700000000 ] - [ 0.0003463600000000, 0.0002006200000000, -0.0004218000000000 ] - [ 0.0002477300000000, -0.0002471700000000, -0.0005943200000000 ] - [ -0.0001547900000000, 0.0001582900000000, 0.0003462700000000 ] - [ 0.0002100500000000, 0.0009876700000000, -0.0000176700000000 ] - [ -0.0004778200000000, 0.0003822600000000, 0.0000166200000000 ] - [ 0.0005163000000000, -0.0002528400000000, -0.0000989300000000 ] - [ 0.0010695800000000, 0.0001755600000000, 0.0005305000000000 ] - [ -0.0015003100000000, -0.0004936500000000, 0.0000439400000000 ] - [ -0.0004530400000000, 0.0001395300000000, 0.0000205300000000 ] - [ 0.0005732300000000, 0.0007997900000000, -0.0000718700000000 ] - [ 0.0002173800000000, -0.0002915900000000, -0.0014646800000000 ] - [ 0.0003233900000000, -0.0003020400000000, -0.0010783100000000 ] - [ -0.0000335800000000, -0.0001315800000000, 0.0003431600000000 ] - [ -0.0011237800000000, -0.0012235400000000, 0.0005032600000000 ] - [ 0.0007535900000000, 0.0004041000000000, 0.0003349700000000 ] - [ 0.0000253300000000, 0.0000555900000000, 0.0001544400000000 ] - [ 0.0010343800000000, 0.0003687400000000, 0.0000783300000000 ] - [ -0.0001480600000000, 0.0001875600000000, -0.0002140600000000 ] - [ 0.0003746600000000, 0.0018340900000000, -0.0005671500000000 ] - [ -0.0011531600000000, 0.0021586800000000, 0.0004872500000000 ] - [ -0.0003677700000000, -0.0003932100000000, -0.0009101200000000 ] - [ -0.0006771800000000, -0.0000873400000000, -0.0011556500000000 ] - [ -0.0003382500000000, 0.0000260200000000, 0.0002274300000000 ] - [ -0.0000794800000000, 0.0003412000000000, 0.0001783100000000 ] - [ -0.0001679100000000, 0.0002534200000000, 0.0000312600000000 ] - [ -0.0008059800000000, 0.0000735400000000, -0.0004398000000000 ] - [ 0.0000342300000000, -0.0002476100000000, 0.0008855800000000 ] - [ -0.0006445600000000, -0.0003861600000000, -0.0006190900000000 ] - [ -0.0000716900000000, 0.0015290000000000, -0.0001931400000000 ] - [ -0.0001314300000000, -0.0001974300000000, -0.0001551600000000 ] - [ 0.0005248700000000, 0.0003048700000000, -0.0000392300000000 ] - [ 0.0004897800000000, -0.0000849400000000, -0.0000646000000000 ] - [ -0.0002017600000000, 0.0000273300000000, 0.0000076500000000 ] - [ 0.0010680300000000, -0.0108889500000000, -0.0084590600000000 ] - [ -0.0108851600000000, 0.0033914500000000, -0.0064211100000000 ] - [ 0.0005453900000000, -0.0001934000000000, 0.0002303200000000 ] - [ 0.0001631800000000, 0.0004595500000000, -0.0010766400000000 ] - [ 0.0003882200000000, -0.0004193200000000, -0.0006339600000000 ] - [ 0.0007953700000000, -0.0003936900000000, -0.0036189600000000 ] - [ 0.0003897900000000, 0.0002247400000000, -0.0005040400000000 ] - [ -0.0000030000000000, 0.0000092800000000, -0.0017269700000000 ] - [ 0.0001749600000000, -0.0006775400000000, -0.0003296000000000 ] - [ -0.0003090000000000, 0.0005127500000000, 0.0008202200000000 ] - [ 0.0004053600000000, -0.0001675100000000, -0.0006730200000000 ] - [ 0.0012212500000000, -0.0004338700000000, -0.0011917700000000 ] - [ -0.0001329400000000, -0.0005883300000000, 0.0001222200000000 ] - [ -0.0005564900000000, -0.0000257200000000, 0.0001192500000000 ] - [ -0.0004312700000000, 0.0006257300000000, -0.0006207700000000 ] - [ -0.0003992200000000, -0.0001856400000000, -0.0005820300000000 ] - [ 0.0005001900000000, -0.0002382400000000, -0.0003219000000000 ] - [ -0.0001151600000000, -0.0001088400000000, -0.0007937400000000 ] - [ 0.0004828300000000, 0.0002497300000000, -0.0001270200000000 ] - [ 0.0002748900000000, 0.0004952600000000, -0.0002394700000000 ] - [ -0.0003853000000000, 0.0009269600000000, -0.0001706600000000 ] - [ 0.0003519500000000, 0.0000267200000000, -0.0005063700000000 ] - [ 0.0039735700000000, -0.0005919600000000, 0.0064822100000000 ]