# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/28d64749-4bff-4259-b48d-bef63a7e0516/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 HfO2 / Pbca (61) / materials id 775757](https://mdr.nims.go.jp/datasets/7021b57a-b906-40b3-a99a-a077338eff64) ## Fulltext phonopy: version: 2.17.1 frequency_unit_conversion_factor: 15.633302 symmetry_tolerance: 1.00000e-05 nac_unit_conversion_factor: 14.399652 configuration: save_params: ".true."physical_unit: atomic_mass: "AMU" length: "angstrom" force_constants: "eV/angstrom^2"space_group: type: "Pbca" number: 61 Hall_symbol: "-P 2ac 2ab"supercell_matrix:- [ 2, 0, 0 ]- [ 0, 2, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 5.134894930000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 5.248882170000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 10.067175160000000 ] # c points: - symbol: Hf # 1 coordinates: [ 0.958041330000000, 0.343429410000000, 0.138511570000000 ] mass: 178.490000 - symbol: Hf # 2 coordinates: [ 0.541958670000000, 0.843429410000000, 0.138511570000000 ] mass: 178.490000 - symbol: Hf # 3 coordinates: [ 0.458041330000000, 0.343429410000000, 0.361488430000000 ] mass: 178.490000 - symbol: Hf # 4 coordinates: [ 0.041958670000000, 0.843429410000000, 0.361488430000000 ] mass: 178.490000 - symbol: Hf # 5 coordinates: [ 0.958041330000000, 0.156570590000000, 0.638511570000000 ] mass: 178.490000 - symbol: Hf # 6 coordinates: [ 0.541958670000000, 0.656570590000000, 0.638511570000000 ] mass: 178.490000 - symbol: Hf # 7 coordinates: [ 0.458041330000000, 0.156570590000000, 0.861488430000000 ] mass: 178.490000 - symbol: Hf # 8 coordinates: [ 0.041958670000000, 0.656570590000000, 0.861488430000000 ] mass: 178.490000 - symbol: O # 9 coordinates: [ 0.830650990000000, 0.666779650000000, 0.033124950000000 ] mass: 15.999400 - symbol: O # 10 coordinates: [ 0.669349010000000, 0.166779650000000, 0.033124950000000 ] mass: 15.999400 - symbol: O # 11 coordinates: [ 0.247689430000000, 0.089371590000000, 0.223649970000000 ] mass: 15.999400 - symbol: O # 12 coordinates: [ 0.252310570000000, 0.589371590000000, 0.223649970000000 ] mass: 15.999400 - symbol: O # 13 coordinates: [ 0.747689430000000, 0.089371590000000, 0.276350030000000 ] mass: 15.999400 - symbol: O # 14 coordinates: [ 0.752310570000000, 0.589371590000000, 0.276350030000000 ] mass: 15.999400 - symbol: O # 15 coordinates: [ 0.169349010000000, 0.166779650000000, 0.466875050000000 ] mass: 15.999400 - symbol: O # 16 coordinates: [ 0.330650990000000, 0.666779650000000, 0.466875050000000 ] mass: 15.999400 - symbol: O # 17 coordinates: [ 0.669349010000000, 0.333220350000000, 0.533124950000000 ] mass: 15.999400 - symbol: O # 18 coordinates: [ 0.830650990000000, 0.833220350000000, 0.533124950000000 ] mass: 15.999400 - symbol: O # 19 coordinates: [ 0.247689430000000, 0.410628410000000, 0.723649970000000 ] mass: 15.999400 - symbol: O # 20 coordinates: [ 0.252310570000000, 0.910628410000000, 0.723649970000000 ] mass: 15.999400 - symbol: O # 21 coordinates: [ 0.747689430000000, 0.410628410000000, 0.776350030000000 ] mass: 15.999400 - symbol: O # 22 coordinates: [ 0.752310570000000, 0.910628410000000, 0.776350030000000 ] mass: 15.999400 - symbol: O # 23 coordinates: [ 0.169349010000000, 0.333220350000000, 0.966875050000000 ] mass: 15.999400 - symbol: O # 24 coordinates: [ 0.330650990000000, 0.833220350000000, 0.966875050000000 ] mass: 15.999400 reciprocal_lattice: # without 2pi - [ 0.194745951695646, 0.000000000000000, 0.000000000000000 ] # a* - [ 0.000000000000000, 0.190516755303730, 0.000000000000000 ] # b* - [ 0.000000000000000, 0.000000000000000, 0.099332730791584 ] # c*unit_cell: lattice: - [ 5.134894930000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 5.248882170000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 10.067175160000000 ] # c points: - symbol: Hf # 1 coordinates: [ 0.958041330000000, 0.343429410000000, 0.138511570000000 ] mass: 178.490000 reduced_to: 1 - symbol: Hf # 2 coordinates: [ 0.541958670000000, 0.843429410000000, 0.138511570000000 ] mass: 178.490000 reduced_to: 2 - symbol: Hf # 3 coordinates: [ 0.458041330000000, 0.343429410000000, 0.361488430000000 ] mass: 178.490000 reduced_to: 3 - symbol: Hf # 4 coordinates: [ 0.041958670000000, 0.843429410000000, 0.361488430000000 ] mass: 178.490000 reduced_to: 4 - symbol: Hf # 5 coordinates: [ 0.958041330000000, 0.156570590000000, 0.638511570000000 ] mass: 178.490000 reduced_to: 5 - symbol: Hf # 6 coordinates: [ 0.541958670000000, 0.656570590000000, 0.638511570000000 ] mass: 178.490000 reduced_to: 6 - symbol: Hf # 7 coordinates: [ 0.458041330000000, 0.156570590000000, 0.861488430000000 ] mass: 178.490000 reduced_to: 7 - symbol: Hf # 8 coordinates: [ 0.041958670000000, 0.656570590000000, 0.861488430000000 ] mass: 178.490000 reduced_to: 8 - symbol: O # 9 coordinates: [ 0.830650990000000, 0.666779650000000, 0.033124950000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 10 coordinates: [ 0.669349010000000, 0.166779650000000, 0.033124950000000 ] mass: 15.999400 reduced_to: 10 - symbol: O # 11 coordinates: [ 0.247689430000000, 0.089371590000000, 0.223649970000000 ] mass: 15.999400 reduced_to: 11 - symbol: O # 12 coordinates: [ 0.252310570000000, 0.589371590000000, 0.223649970000000 ] mass: 15.999400 reduced_to: 12 - symbol: O # 13 coordinates: [ 0.747689430000000, 0.089371590000000, 0.276350030000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 14 coordinates: [ 0.752310570000000, 0.589371590000000, 0.276350030000000 ] mass: 15.999400 reduced_to: 14 - symbol: O # 15 coordinates: [ 0.169349010000000, 0.166779650000000, 0.466875050000000 ] mass: 15.999400 reduced_to: 15 - symbol: O # 16 coordinates: [ 0.330650990000000, 0.666779650000000, 0.466875050000000 ] mass: 15.999400 reduced_to: 16 - symbol: O # 17 coordinates: [ 0.669349010000000, 0.333220350000000, 0.533124950000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 18 coordinates: [ 0.830650990000000, 0.833220350000000, 0.533124950000000 ] mass: 15.999400 reduced_to: 18 - symbol: O # 19 coordinates: [ 0.247689430000000, 0.410628410000000, 0.723649970000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 20 coordinates: [ 0.252310570000000, 0.910628410000000, 0.723649970000000 ] mass: 15.999400 reduced_to: 20 - symbol: O # 21 coordinates: [ 0.747689430000000, 0.410628410000000, 0.776350030000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 22 coordinates: [ 0.752310570000000, 0.910628410000000, 0.776350030000000 ] mass: 15.999400 reduced_to: 22 - symbol: O # 23 coordinates: [ 0.169349010000000, 0.333220350000000, 0.966875050000000 ] mass: 15.999400 reduced_to: 23 - symbol: O # 24 coordinates: [ 0.330650990000000, 0.833220350000000, 0.966875050000000 ] mass: 15.999400 reduced_to: 24supercell: lattice: - [ 10.269789859999999, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 10.497764340000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 10.067175160000000 ] # c points: - symbol: Hf # 1 coordinates: [ 0.479020665000000, 0.171714705000000, 0.138511570000000 ] mass: 178.490000 reduced_to: 1 - symbol: Hf # 2 coordinates: [ 0.979020665000000, 0.171714705000000, 0.138511570000000 ] mass: 178.490000 reduced_to: 1 - symbol: Hf # 3 coordinates: [ 0.479020665000000, 0.671714705000000, 0.138511570000000 ] mass: 178.490000 reduced_to: 1 - symbol: Hf # 4 coordinates: [ 0.979020665000000, 0.671714705000000, 0.138511570000000 ] mass: 178.490000 reduced_to: 1 - symbol: Hf # 5 coordinates: [ 0.270979335000000, 0.421714705000000, 0.138511570000000 ] mass: 178.490000 reduced_to: 5 - symbol: Hf # 6 coordinates: [ 0.770979335000000, 0.421714705000000, 0.138511570000000 ] mass: 178.490000 reduced_to: 5 - symbol: Hf # 7 coordinates: [ 0.270979335000000, 0.921714705000000, 0.138511570000000 ] mass: 178.490000 reduced_to: 5 - symbol: Hf # 8 coordinates: [ 0.770979335000000, 0.921714705000000, 0.138511570000000 ] mass: 178.490000 reduced_to: 5 - symbol: Hf # 9 coordinates: [ 0.229020665000000, 0.171714705000000, 0.361488430000000 ] mass: 178.490000 reduced_to: 9 - symbol: Hf # 10 coordinates: [ 0.729020665000000, 0.171714705000000, 0.361488430000000 ] mass: 178.490000 reduced_to: 9 - symbol: Hf # 11 coordinates: [ 0.229020665000000, 0.671714705000000, 0.361488430000000 ] mass: 178.490000 reduced_to: 9 - symbol: Hf # 12 coordinates: [ 0.729020665000000, 0.671714705000000, 0.361488430000000 ] mass: 178.490000 reduced_to: 9 - symbol: Hf # 13 coordinates: [ 0.020979335000000, 0.421714705000000, 0.361488430000000 ] mass: 178.490000 reduced_to: 13 - symbol: Hf # 14 coordinates: [ 0.520979335000000, 0.421714705000000, 0.361488430000000 ] mass: 178.490000 reduced_to: 13 - symbol: Hf # 15 coordinates: [ 0.020979335000000, 0.921714705000000, 0.361488430000000 ] mass: 178.490000 reduced_to: 13 - symbol: Hf # 16 coordinates: [ 0.520979335000000, 0.921714705000000, 0.361488430000000 ] mass: 178.490000 reduced_to: 13 - symbol: Hf # 17 coordinates: [ 0.479020665000000, 0.078285295000000, 0.638511570000000 ] mass: 178.490000 reduced_to: 17 - symbol: Hf # 18 coordinates: [ 0.979020665000000, 0.078285295000000, 0.638511570000000 ] mass: 178.490000 reduced_to: 17 - symbol: Hf # 19 coordinates: [ 0.479020665000000, 0.578285295000000, 0.638511570000000 ] mass: 178.490000 reduced_to: 17 - symbol: Hf # 20 coordinates: [ 0.979020665000000, 0.578285295000000, 0.638511570000000 ] mass: 178.490000 reduced_to: 17 - symbol: Hf # 21 coordinates: [ 0.270979335000000, 0.328285295000000, 0.638511570000000 ] mass: 178.490000 reduced_to: 21 - symbol: Hf # 22 coordinates: [ 0.770979335000000, 0.328285295000000, 0.638511570000000 ] mass: 178.490000 reduced_to: 21 - symbol: Hf # 23 coordinates: [ 0.270979335000000, 0.828285295000000, 0.638511570000000 ] mass: 178.490000 reduced_to: 21 - symbol: Hf # 24 coordinates: [ 0.770979335000000, 0.828285295000000, 0.638511570000000 ] mass: 178.490000 reduced_to: 21 - symbol: Hf # 25 coordinates: [ 0.229020665000000, 0.078285295000000, 0.861488430000000 ] mass: 178.490000 reduced_to: 25 - symbol: Hf # 26 coordinates: [ 0.729020665000000, 0.078285295000000, 0.861488430000000 ] mass: 178.490000 reduced_to: 25 - symbol: Hf # 27 coordinates: [ 0.229020665000000, 0.578285295000000, 0.861488430000000 ] mass: 178.490000 reduced_to: 25 - symbol: Hf # 28 coordinates: [ 0.729020665000000, 0.578285295000000, 0.861488430000000 ] mass: 178.490000 reduced_to: 25 - symbol: Hf # 29 coordinates: [ 0.020979335000000, 0.328285295000000, 0.861488430000000 ] mass: 178.490000 reduced_to: 29 - symbol: Hf # 30 coordinates: [ 0.520979335000000, 0.328285295000000, 0.861488430000000 ] mass: 178.490000 reduced_to: 29 - symbol: Hf # 31 coordinates: [ 0.020979335000000, 0.828285295000000, 0.861488430000000 ] mass: 178.490000 reduced_to: 29 - symbol: Hf # 32 coordinates: [ 0.520979335000000, 0.828285295000000, 0.861488430000000 ] mass: 178.490000 reduced_to: 29 - symbol: O # 33 coordinates: [ 0.415325495000000, 0.333389825000000, 0.033124950000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 34 coordinates: [ 0.915325495000000, 0.333389825000000, 0.033124950000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 35 coordinates: [ 0.415325495000000, 0.833389825000000, 0.033124950000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 36 coordinates: [ 0.915325495000000, 0.833389825000000, 0.033124950000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 37 coordinates: [ 0.334674505000000, 0.083389825000000, 0.033124950000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 38 coordinates: [ 0.834674505000000, 0.083389825000000, 0.033124950000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 39 coordinates: [ 0.334674505000000, 0.583389825000000, 0.033124950000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 40 coordinates: [ 0.834674505000000, 0.583389825000000, 0.033124950000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 41 coordinates: [ 0.123844715000000, 0.044685795000000, 0.223649970000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 42 coordinates: [ 0.623844715000000, 0.044685795000000, 0.223649970000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 43 coordinates: [ 0.123844715000000, 0.544685795000000, 0.223649970000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 44 coordinates: [ 0.623844715000000, 0.544685795000000, 0.223649970000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 45 coordinates: [ 0.126155285000000, 0.294685795000000, 0.223649970000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 46 coordinates: [ 0.626155285000000, 0.294685795000000, 0.223649970000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 47 coordinates: [ 0.126155285000000, 0.794685795000000, 0.223649970000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 48 coordinates: [ 0.626155285000000, 0.794685795000000, 0.223649970000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 49 coordinates: [ 0.373844715000000, 0.044685795000000, 0.276350030000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 50 coordinates: [ 0.873844715000000, 0.044685795000000, 0.276350030000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 51 coordinates: [ 0.373844715000000, 0.544685795000000, 0.276350030000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 52 coordinates: [ 0.873844715000000, 0.544685795000000, 0.276350030000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 53 coordinates: [ 0.376155285000000, 0.294685795000000, 0.276350030000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 54 coordinates: [ 0.876155285000000, 0.294685795000000, 0.276350030000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 55 coordinates: [ 0.376155285000000, 0.794685795000000, 0.276350030000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 56 coordinates: [ 0.876155285000000, 0.794685795000000, 0.276350030000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 57 coordinates: [ 0.084674505000000, 0.083389825000000, 0.466875050000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 58 coordinates: [ 0.584674505000000, 0.083389825000000, 0.466875050000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 59 coordinates: [ 0.084674505000000, 0.583389825000000, 0.466875050000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 60 coordinates: [ 0.584674505000000, 0.583389825000000, 0.466875050000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 61 coordinates: [ 0.165325495000000, 0.333389825000000, 0.466875050000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 62 coordinates: [ 0.665325495000000, 0.333389825000000, 0.466875050000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 63 coordinates: [ 0.165325495000000, 0.833389825000000, 0.466875050000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 64 coordinates: [ 0.665325495000000, 0.833389825000000, 0.466875050000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 65 coordinates: [ 0.334674505000000, 0.166610175000000, 0.533124950000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 66 coordinates: [ 0.834674505000000, 0.166610175000000, 0.533124950000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 67 coordinates: [ 0.334674505000000, 0.666610175000000, 0.533124950000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 68 coordinates: [ 0.834674505000000, 0.666610175000000, 0.533124950000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 69 coordinates: [ 0.415325495000000, 0.416610175000000, 0.533124950000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 70 coordinates: [ 0.915325495000000, 0.416610175000000, 0.533124950000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 71 coordinates: [ 0.415325495000000, 0.916610175000000, 0.533124950000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 72 coordinates: [ 0.915325495000000, 0.916610175000000, 0.533124950000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 73 coordinates: [ 0.123844715000000, 0.205314205000000, 0.723649970000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 74 coordinates: [ 0.623844715000000, 0.205314205000000, 0.723649970000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 75 coordinates: [ 0.123844715000000, 0.705314205000000, 0.723649970000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 76 coordinates: [ 0.623844715000000, 0.705314205000000, 0.723649970000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 77 coordinates: [ 0.126155285000000, 0.455314205000000, 0.723649970000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 78 coordinates: [ 0.626155285000000, 0.455314205000000, 0.723649970000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 79 coordinates: [ 0.126155285000000, 0.955314205000000, 0.723649970000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 80 coordinates: [ 0.626155285000000, 0.955314205000000, 0.723649970000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 81 coordinates: [ 0.373844715000000, 0.205314205000000, 0.776350030000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 82 coordinates: [ 0.873844715000000, 0.205314205000000, 0.776350030000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 83 coordinates: [ 0.373844715000000, 0.705314205000000, 0.776350030000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 84 coordinates: [ 0.873844715000000, 0.705314205000000, 0.776350030000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 85 coordinates: [ 0.376155285000000, 0.455314205000000, 0.776350030000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 86 coordinates: [ 0.876155285000000, 0.455314205000000, 0.776350030000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 87 coordinates: [ 0.376155285000000, 0.955314205000000, 0.776350030000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 88 coordinates: [ 0.876155285000000, 0.955314205000000, 0.776350030000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 89 coordinates: [ 0.084674505000000, 0.166610175000000, 0.966875050000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 90 coordinates: [ 0.584674505000000, 0.166610175000000, 0.966875050000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 91 coordinates: [ 0.084674505000000, 0.666610175000000, 0.966875050000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 92 coordinates: [ 0.584674505000000, 0.666610175000000, 0.966875050000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 93 coordinates: [ 0.165325495000000, 0.416610175000000, 0.966875050000000 ] mass: 15.999400 reduced_to: 93 - symbol: O # 94 coordinates: [ 0.665325495000000, 0.416610175000000, 0.966875050000000 ] mass: 15.999400 reduced_to: 93 - symbol: O # 95 coordinates: [ 0.165325495000000, 0.916610175000000, 0.966875050000000 ] mass: 15.999400 reduced_to: 93 - symbol: O # 96 coordinates: [ 0.665325495000000, 0.916610175000000, 0.966875050000000 ] mass: 15.999400 reduced_to: 93born_effective_charge:- # 1 (Hf) - [ 5.245550750000000, 0.364716570000000, 0.147496600000000 ] - [ 0.348429350000000, 4.798450960000000, -0.033818610000000 ] - [ 0.303822550000000, -0.084124530000000, 5.411842370000000 ]- # 2 (Hf) - [ 5.245550750000000, -0.364716570000000, -0.147496600000000 ] - [ -0.348429350000000, 4.798450960000000, -0.033818610000000 ] - [ -0.303822550000000, -0.084124530000000, 5.411842370000000 ]- # 3 (Hf) - [ 5.245550750000000, 0.364716570000000, -0.147496600000000 ] - [ 0.348429350000000, 4.798450960000000, 0.033818610000000 ] - [ -0.303822550000000, 0.084124530000000, 5.411842370000000 ]- # 4 (Hf) - [ 5.245550750000000, -0.364716570000000, 0.147496600000000 ] - [ -0.348429350000000, 4.798450960000000, 0.033818610000000 ] - [ 0.303822550000000, 0.084124530000000, 5.411842370000000 ]- # 5 (Hf) - [ 5.245550750000000, -0.364716570000000, 0.147496600000000 ] - [ -0.348429350000000, 4.798450960000000, 0.033818610000000 ] - [ 0.303822550000000, 0.084124530000000, 5.411842370000000 ]- # 6 (Hf) - [ 5.245550750000000, 0.364716570000000, -0.147496600000000 ] - [ 0.348429350000000, 4.798450960000000, 0.033818610000000 ] - [ -0.303822550000000, 0.084124530000000, 5.411842370000000 ]- # 7 (Hf) - [ 5.245550750000000, -0.364716570000000, -0.147496600000000 ] - [ -0.348429350000000, 4.798450960000000, -0.033818610000000 ] - [ -0.303822550000000, -0.084124530000000, 5.411842370000000 ]- # 8 (Hf) - [ 5.245550750000000, 0.364716570000000, 0.147496600000000 ] - [ 0.348429350000000, 4.798450960000000, -0.033818610000000 ] - [ 0.303822550000000, -0.084124530000000, 5.411842370000000 ]- # 9 (O) - [ -2.535227960000000, 0.871764110000000, 1.120987710000000 ] - [ 0.887892630000000, -2.247499200000000, 0.004668500000000 ] - [ 0.882960730000000, 0.104097830000000, -3.003676260000000 ]- # 10 (O) - [ -2.535227960000000, -0.871764110000000, -1.120987710000000 ] - [ -0.887892630000000, -2.247499200000000, 0.004668500000000 ] - [ -0.882960730000000, 0.104097830000000, -3.003676260000000 ]- # 11 (O) - [ -2.710322780000000, 0.288583120000000, 0.133239020000000 ] - [ 0.415807740000000, -2.550951750000000, 0.090316830000000 ] - [ 0.073945640000000, 0.017670410000000, -2.408166120000000 ]- # 12 (O) - [ -2.710322780000000, -0.288583120000000, -0.133239020000000 ] - [ -0.415807740000000, -2.550951750000000, 0.090316830000000 ] - [ -0.073945640000000, 0.017670410000000, -2.408166120000000 ]- # 13 (O) - [ -2.710322780000000, 0.288583120000000, -0.133239020000000 ] - [ 0.415807740000000, -2.550951750000000, -0.090316830000000 ] - [ -0.073945640000000, -0.017670410000000, -2.408166120000000 ]- # 14 (O) - [ -2.710322780000000, -0.288583120000000, 0.133239020000000 ] - [ -0.415807740000000, -2.550951750000000, -0.090316830000000 ] - [ 0.073945640000000, -0.017670410000000, -2.408166120000000 ]- # 15 (O) - [ -2.535227960000000, -0.871764110000000, 1.120987710000000 ] - [ -0.887892630000000, -2.247499200000000, -0.004668500000000 ] - [ 0.882960730000000, -0.104097830000000, -3.003676260000000 ]- # 16 (O) - [ -2.535227960000000, 0.871764110000000, -1.120987710000000 ] - [ 0.887892630000000, -2.247499200000000, -0.004668500000000 ] - [ -0.882960730000000, -0.104097830000000, -3.003676260000000 ]- # 17 (O) - [ -2.535227960000000, 0.871764110000000, -1.120987710000000 ] - [ 0.887892630000000, -2.247499200000000, -0.004668500000000 ] - [ -0.882960730000000, -0.104097830000000, -3.003676260000000 ]- # 18 (O) - [ -2.535227960000000, -0.871764110000000, 1.120987710000000 ] - [ -0.887892630000000, -2.247499200000000, -0.004668500000000 ] - [ 0.882960730000000, -0.104097830000000, -3.003676260000000 ]- # 19 (O) - [ -2.710322780000000, -0.288583120000000, 0.133239020000000 ] - [ -0.415807740000000, -2.550951750000000, -0.090316830000000 ] - [ 0.073945640000000, -0.017670410000000, -2.408166120000000 ]- # 20 (O) - [ -2.710322780000000, 0.288583120000000, -0.133239020000000 ] - [ 0.415807740000000, -2.550951750000000, -0.090316830000000 ] - [ -0.073945640000000, -0.017670410000000, -2.408166120000000 ]- # 21 (O) - [ -2.710322780000000, -0.288583120000000, -0.133239020000000 ] - [ -0.415807740000000, -2.550951750000000, 0.090316830000000 ] - [ -0.073945640000000, 0.017670410000000, -2.408166120000000 ]- # 22 (O) - [ -2.710322780000000, 0.288583120000000, 0.133239020000000 ] - [ 0.415807740000000, -2.550951750000000, 0.090316830000000 ] - [ 0.073945640000000, 0.017670410000000, -2.408166120000000 ]- # 23 (O) - [ -2.535227960000000, 0.871764110000000, 1.120987710000000 ] - [ 0.887892630000000, -2.247499200000000, 0.004668500000000 ] - [ 0.882960730000000, 0.104097830000000, -3.003676260000000 ]- # 24 (O) - [ -2.535227960000000, -0.871764110000000, -1.120987710000000 ] - [ -0.887892630000000, -2.247499200000000, 0.004668500000000 ] - [ -0.882960730000000, 0.104097830000000, -3.003676260000000 ]dielectric_constant: - [ 4.947953830000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 4.713806810000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 5.049636700000000 ]displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.2343952800000000, -0.0116494700000000, 0.0029230400000000 ] - [ 0.0189465800000000, 0.0015353600000000, -0.0001757300000000 ] - [ -0.0109945500000000, 0.0012418900000000, -0.0016491500000000 ] - [ 0.0065759400000000, 0.0012082400000000, 0.0020324900000000 ] - [ 0.0174112100000000, -0.0247292300000000, 0.0022615300000000 ] - [ 0.0189712400000000, 0.0190267300000000, -0.0068278400000000 ] - [ 0.0173308900000000, 0.0357079000000000, -0.0078581900000000 ] - [ 0.0189783100000000, -0.0167806700000000, -0.0042603900000000 ] - [ 0.0243287000000000, 0.0003322600000000, -0.0274695600000000 ] - [ 0.0244490900000000, -0.0014895900000000, 0.0320541000000000 ] - [ 0.0004030100000000, 0.0015130200000000, -0.0037716900000000 ] - [ 0.0003891300000000, 0.0006709300000000, 0.0020536400000000 ] - [ 0.0096224000000000, -0.0000196700000000, -0.0011432100000000 ] - [ -0.0278139500000000, 0.0046753200000000, 0.0059851700000000 ] - [ 0.0096230200000000, 0.0008155500000000, -0.0016079600000000 ] - [ -0.0277983900000000, -0.0038398500000000, 0.0054189000000000 ] - [ -0.0126027700000000, -0.0005187200000000, 0.0017719800000000 ] - [ 0.0082421200000000, -0.0025094000000000, 0.0006276500000000 ] - [ -0.0045731300000000, 0.0001755700000000, 0.0006152100000000 ] - [ 0.0027697200000000, -0.0004536900000000, 0.0008996000000000 ] - [ -0.0003505700000000, -0.0035273600000000, -0.0002737100000000 ] - [ 0.0046864100000000, 0.0025157300000000, 0.0028261300000000 ] - [ -0.0007070900000000, 0.0009216900000000, 0.0020414000000000 ] - [ 0.0023380200000000, -0.0019765400000000, 0.0001365100000000 ] - [ 0.0187096800000000, 0.0008493800000000, 0.0319890600000000 ] - [ 0.0187244000000000, -0.0125095300000000, -0.0195541500000000 ] - [ -0.0001126800000000, -0.0018952600000000, 0.0023169000000000 ] - [ -0.0001348900000000, 0.0022694000000000, -0.0030351300000000 ] - [ 0.0095642600000000, -0.0019362000000000, 0.0004077200000000 ] - [ -0.0278139400000000, 0.0169303300000000, -0.0028857100000000 ] - [ 0.0097653000000000, 0.0020547300000000, 0.0000871300000000 ] - [ -0.0103875500000000, -0.0031183300000000, 0.0004786600000000 ] - [ 0.0277729400000000, -0.0037835300000000, -0.0057245700000000 ] - [ -0.0057083500000000, 0.0017081100000000, 0.0029292000000000 ] - [ 0.0074632400000000, -0.0073323900000000, -0.0032138700000000 ] - [ -0.0061146100000000, 0.0030143300000000, 0.0033177500000000 ] - [ 0.0381597400000000, 0.0147643400000000, 0.0202613200000000 ] - [ -0.0092635700000000, 0.0002708100000000, -0.0010563100000000 ] - [ 0.0005206500000000, 0.0035904200000000, -0.0010024900000000 ] - [ -0.0024090200000000, -0.0035676000000000, 0.0010775200000000 ] - [ -0.0086767700000000, -0.0003319100000000, 0.0027104200000000 ] - [ 0.0271836300000000, -0.0035303400000000, 0.0012660500000000 ] - [ -0.0024880200000000, 0.0020485500000000, 0.0011031900000000 ] - [ 0.0038228800000000, -0.0056202400000000, -0.0003908400000000 ] - [ -0.0094094800000000, 0.0019596500000000, 0.0016615000000000 ] - [ 0.0185764900000000, 0.0025038000000000, 0.0000533700000000 ] - [ -0.0060570500000000, -0.0033130400000000, 0.0026483500000000 ] - [ 0.0023002200000000, 0.0064490700000000, -0.0008950900000000 ] - [ 0.0226923100000000, -0.0019980600000000, -0.0008954200000000 ] - [ -0.0083179400000000, 0.0020624900000000, -0.0004068900000000 ] - [ 0.0030483700000000, 0.0038812100000000, 0.0016256900000000 ] - [ -0.0020178800000000, -0.0007752200000000, -0.0013094000000000 ] - [ 0.0228215800000000, 0.0016772500000000, -0.0018472500000000 ] - [ -0.0102548500000000, -0.0007493100000000, -0.0005855700000000 ] - [ 0.0035643300000000, -0.0033324300000000, 0.0025177900000000 ] - [ -0.0035428300000000, 0.0015272400000000, -0.0012385300000000 ] - [ -0.0052467600000000, -0.0018374400000000, 0.0037732300000000 ] - [ 0.0070418600000000, 0.0027154400000000, -0.0084017300000000 ] - [ -0.0017447600000000, -0.0005034100000000, 0.0011025500000000 ] - [ 0.0011590200000000, 0.0007210000000000, -0.0005537100000000 ] - [ -0.0023705200000000, 0.0029162700000000, 0.0022098000000000 ] - [ 0.0006048100000000, -0.0035271000000000, -0.0076155500000000 ] - [ -0.0006755000000000, 0.0001847500000000, 0.0004149800000000 ] - [ 0.0013739200000000, 0.0004999900000000, 0.0002711800000000 ] - [ 0.0026822300000000, -0.0010168000000000, 0.0051808800000000 ] - [ -0.0055302300000000, 0.0007707900000000, -0.0064135400000000 ] - [ 0.0010574900000000, -0.0007125600000000, 0.0008924800000000 ] - [ -0.0011850300000000, 0.0002227600000000, -0.0010750400000000 ] - [ 0.0036309300000000, 0.0020251700000000, -0.0011351800000000 ] - [ -0.0028713800000000, -0.0015775700000000, 0.0010212900000000 ] - [ 0.0042771000000000, -0.0007795500000000, -0.0022891100000000 ] - [ -0.0022826700000000, -0.0002782100000000, 0.0010926300000000 ] - [ -0.0025699000000000, 0.0021548000000000, -0.0019228500000000 ] - [ 0.0023949300000000, -0.0037038900000000, 0.0055276600000000 ] - [ -0.0003303700000000, -0.0009182200000000, -0.0001991400000000 ] - [ 0.0016351600000000, -0.0004077900000000, 0.0001361100000000 ] - [ -0.0017170800000000, 0.0002322100000000, -0.0004450000000000 ] - [ 0.0005695800000000, -0.0016497900000000, 0.0008195300000000 ] - [ -0.0042795900000000, -0.0032929800000000, -0.0036099700000000 ] - [ 0.0016392600000000, 0.0018752100000000, 0.0023971700000000 ] - [ 0.0074206000000000, 0.0014097900000000, -0.0031777000000000 ] - [ -0.0041916600000000, -0.0018236200000000, 0.0003335700000000 ] - [ 0.0021186500000000, -0.0004606600000000, -0.0004367400000000 ] - [ -0.0014543200000000, -0.0011672500000000, -0.0000025500000000 ] - [ 0.0026150800000000, -0.0009467900000000, -0.0004258900000000 ] - [ -0.0025529400000000, -0.0009980000000000, -0.0002937800000000 ] - [ 0.0032719900000000, -0.0026904500000000, -0.0048509100000000 ] - [ -0.0050927300000000, 0.0022943000000000, 0.0019792000000000 ] - [ -0.0104635800000000, 0.0035676300000000, 0.0014991200000000 ] - [ 0.0303940900000000, -0.0047494900000000, -0.0234188600000000 ] - [ -0.0023075000000000, 0.0000314000000000, 0.0008495500000000 ] - [ 0.0029435000000000, -0.0009471300000000, -0.0010846800000000 ] - [ -0.0035542200000000, 0.0006196500000000, -0.0037419600000000 ] - [ 0.0025312400000000, -0.0053524200000000, 0.0043344000000000 ] - [ -0.0082099100000000, -0.0060814300000000, -0.0053207800000000 ] - [ 0.0014585700000000, 0.0065676400000000, 0.0035590100000000 ]- atom: 1 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.2341558100000000, 0.0140874600000000, -0.0009357600000000 ] - [ -0.0203316200000000, -0.0003407900000000, 0.0015796300000000 ] - [ 0.0095153800000000, -0.0000973400000000, 0.0030492600000000 ] - [ -0.0079798100000000, -0.0000431900000000, -0.0006212000000000 ] - [ -0.0158321400000000, 0.0260388700000000, -0.0009200400000000 ] - [ -0.0174583300000000, -0.0176996600000000, 0.0082061600000000 ] - [ -0.0159130200000000, -0.0346840900000000, 0.0093327200000000 ] - [ -0.0174514700000000, 0.0178096300000000, 0.0056568100000000 ] - [ -0.0258149100000000, 0.0008568100000000, 0.0262951400000000 ] - [ -0.0256954700000000, 0.0026709700000000, -0.0331104500000000 ] - [ -0.0018146400000000, -0.0003447800000000, 0.0023507000000000 ] - [ -0.0018288400000000, 0.0005036500000000, -0.0034507600000000 ] - [ -0.0081577000000000, 0.0012268100000000, -0.0002479300000000 ] - [ 0.0290763600000000, -0.0035272700000000, -0.0074202100000000 ] - [ -0.0081572900000000, 0.0003499800000000, 0.0002231700000000 ] - [ 0.0290927400000000, 0.0050617200000000, -0.0068251500000000 ] - [ 0.0111451500000000, -0.0006553400000000, -0.0003499500000000 ] - [ -0.0096471000000000, 0.0013243400000000, 0.0007855700000000 ] - [ 0.0031255800000000, -0.0013725200000000, 0.0008060700000000 ] - [ -0.0041856100000000, -0.0007313000000000, 0.0005156200000000 ] - [ 0.0017988000000000, 0.0023534900000000, 0.0016909800000000 ] - [ -0.0032661900000000, -0.0036825900000000, -0.0013964200000000 ] - [ 0.0021460500000000, -0.0021095600000000, -0.0006333200000000 ] - [ -0.0009124300000000, 0.0007848800000000, 0.0012733100000000 ] - [ -0.0201542600000000, -0.0020788800000000, -0.0334796300000000 ] - [ -0.0201380700000000, 0.0113006900000000, 0.0180214000000000 ] - [ -0.0012865000000000, 0.0006828100000000, -0.0037030800000000 ] - [ -0.0013088100000000, -0.0034499000000000, 0.0016114600000000 ] - [ -0.0080945300000000, 0.0007829600000000, -0.0018304300000000 ] - [ 0.0290212800000000, -0.0180968200000000, 0.0016748400000000 ] - [ -0.0083127600000000, -0.0032491400000000, -0.0015067700000000 ] - [ 0.0117861200000000, 0.0019253300000000, -0.0018940300000000 ] - [ -0.0279984800000000, 0.0045901600000000, 0.0052229100000000 ] - [ 0.0058308000000000, -0.0014512500000000, -0.0031127300000000 ] - [ -0.0073197000000000, 0.0076172300000000, 0.0030069300000000 ] - [ 0.0062305300000000, -0.0027278300000000, -0.0035049600000000 ] - [ -0.0404691400000000, -0.0160621200000000, -0.0223197200000000 ] - [ 0.0091062200000000, 0.0000129000000000, 0.0008910000000000 ] - [ -0.0006707000000000, -0.0032643700000000, 0.0007963900000000 ] - [ 0.0022657700000000, 0.0038255900000000, -0.0012680000000000 ] - [ 0.0097845000000000, 0.0013024500000000, -0.0025691200000000 ] - [ -0.0250159300000000, 0.0034932200000000, -0.0004407800000000 ] - [ 0.0035859700000000, -0.0010796200000000, -0.0009226200000000 ] - [ -0.0026734600000000, 0.0065495500000000, 0.0005461300000000 ] - [ 0.0082584800000000, -0.0010577500000000, -0.0015283000000000 ] - [ -0.0186693300000000, -0.0006588700000000, 0.0007124400000000 ] - [ 0.0049186500000000, 0.0042737100000000, -0.0024894300000000 ] - [ -0.0034245400000000, -0.0054698800000000, 0.0010462400000000 ] - [ -0.0221077100000000, 0.0024721100000000, 0.0012844700000000 ] - [ 0.0094076300000000, -0.0010949900000000, 0.0002271800000000 ] - [ -0.0019045300000000, -0.0029001900000000, -0.0017781000000000 ] - [ 0.0031477900000000, 0.0017180400000000, 0.0011412500000000 ] - [ -0.0244077600000000, -0.0002389900000000, 0.0022567500000000 ] - [ 0.0090818800000000, 0.0016770700000000, 0.0004101200000000 ] - [ -0.0046917300000000, 0.0042744200000000, -0.0026876000000000 ] - [ 0.0024022300000000, -0.0005646200000000, 0.0010676600000000 ] - [ 0.0050798300000000, 0.0020943400000000, -0.0035647200000000 ] - [ -0.0071415200000000, -0.0024383700000000, 0.0085513400000000 ] - [ 0.0015946400000000, 0.0007650500000000, -0.0008988100000000 ] - [ -0.0012885200000000, -0.0004440700000000, 0.0007527500000000 ] - [ 0.0024905100000000, -0.0026411600000000, -0.0020079400000000 ] - [ -0.0004513800000000, 0.0037613500000000, 0.0077944000000000 ] - [ 0.0008032300000000, 0.0000872400000000, -0.0002146800000000 ] - [ -0.0012327400000000, -0.0002326600000000, -0.0000698900000000 ] - [ -0.0028215500000000, 0.0007442800000000, -0.0053728600000000 ] - [ 0.0053712600000000, -0.0010419600000000, 0.0061743100000000 ] - [ -0.0012009700000000, 0.0004482300000000, -0.0010939100000000 ] - [ 0.0010415800000000, -0.0004870600000000, 0.0008689000000000 ] - [ -0.0034762500000000, -0.0022830100000000, 0.0009355900000000 ] - [ 0.0030087100000000, 0.0013065500000000, -0.0012297700000000 ] - [ -0.0041185100000000, 0.0005007200000000, 0.0020881900000000 ] - [ 0.0024210500000000, 0.0000122500000000, -0.0012976600000000 ] - [ 0.0036888200000000, -0.0031013000000000, 0.0020866600000000 ] - [ -0.0012298300000000, 0.0027373500000000, -0.0053831100000000 ] - [ 0.0014586400000000, -0.0000264500000000, 0.0003626200000000 ] - [ -0.0004924700000000, -0.0005359400000000, 0.0000312200000000 ] - [ 0.0005693400000000, -0.0011818500000000, 0.0006050000000000 ] - [ -0.0016830600000000, 0.0007113500000000, -0.0006613600000000 ] - [ 0.0031356800000000, 0.0023480600000000, 0.0037767300000000 ] - [ -0.0027622200000000, -0.0028257500000000, -0.0022257600000000 ] - [ -0.0062897200000000, -0.0023773500000000, 0.0030062500000000 ] - [ 0.0053186900000000, 0.0008657800000000, -0.0004947300000000 ] - [ -0.0009777900000000, -0.0004792300000000, 0.0002701700000000 ] - [ 0.0025867200000000, 0.0002200900000000, -0.0001606000000000 ] - [ -0.0037555000000000, 0.0000122500000000, 0.0002267300000000 ] - [ 0.0014169100000000, 0.0000443600000000, 0.0001293600000000 ] - [ -0.0044084900000000, 0.0017380000000000, 0.0046820700000000 ] - [ 0.0039468000000000, -0.0032345900000000, -0.0021358700000000 ] - [ 0.0103112600000000, -0.0038409700000000, -0.0012667300000000 ] - [ -0.0300926200000000, 0.0043577200000000, 0.0223426500000000 ] - [ 0.0021492700000000, -0.0002864700000000, -0.0006410400000000 ] - [ -0.0030718100000000, 0.0006839500000000, 0.0012803900000000 ] - [ 0.0036397000000000, -0.0008931800000000, 0.0039124700000000 ] - [ -0.0023537200000000, 0.0050698800000000, -0.0040941300000000 ] - [ 0.0083339600000000, 0.0058146100000000, 0.0055222200000000 ] - [ -0.0013071100000000, -0.0068052400000000, -0.0033223000000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0126970000000000, -0.2299611100000000, 0.0047228100000000 ] - [ 0.0002148000000000, -0.0092370500000000, -0.0012870800000000 ] - [ -0.0000268600000000, 0.0180657400000000, 0.0000470300000000 ] - [ -0.0000913100000000, 0.0080272500000000, 0.0007697300000000 ] - [ -0.0346888600000000, 0.0294278100000000, 0.0074555200000000 ] - [ 0.0180868100000000, 0.0121883200000000, -0.0026459800000000 ] - [ 0.0259575700000000, 0.0292793000000000, -0.0013854300000000 ] - [ -0.0176427600000000, 0.0121932900000000, 0.0076042800000000 ] - [ -0.0027784500000000, -0.0275961100000000, -0.0006655100000000 ] - [ -0.0010012500000000, -0.0276106100000000, -0.0001198000000000 ] - [ -0.0006453400000000, 0.0092394800000000, -0.0002646900000000 ] - [ 0.0002233600000000, 0.0092386000000000, -0.0005211400000000 ] - [ 0.0004809700000000, 0.0017446300000000, 0.0021787500000000 ] - [ 0.0051849200000000, 0.0224155800000000, 0.0245876500000000 ] - [ 0.0013380200000000, 0.0017571500000000, -0.0040297100000000 ] - [ -0.0033584800000000, 0.0223070500000000, -0.0268657300000000 ] - [ -0.0007706100000000, -0.0065669700000000, -0.0020853200000000 ] - [ 0.0011999100000000, -0.0034436800000000, 0.0014309000000000 ] - [ -0.0014915400000000, 0.0051991600000000, 0.0012475300000000 ] - [ -0.0008559100000000, 0.0021959900000000, 0.0007730300000000 ] - [ -0.0022305000000000, -0.0050447200000000, 0.0010162400000000 ] - [ 0.0038130700000000, -0.0031519100000000, 0.0021617800000000 ] - [ 0.0022307500000000, 0.0042558000000000, 0.0006359600000000 ] - [ -0.0006620100000000, 0.0018739000000000, -0.0008611900000000 ] - [ 0.0112362100000000, -0.0067606600000000, 0.0191414000000000 ] - [ -0.0022811500000000, -0.0066637600000000, 0.0046500800000000 ] - [ -0.0035919700000000, 0.0066131500000000, -0.0044674800000000 ] - [ 0.0005845400000000, 0.0066130600000000, -0.0032850100000000 ] - [ -0.0006538000000000, -0.0065694200000000, -0.0029657000000000 ] - [ 0.0183468200000000, -0.0062517500000000, -0.0393632200000000 ] - [ 0.0033676400000000, 0.0041958000000000, 0.0017300100000000 ] - [ -0.0017931800000000, 0.0072015100000000, 0.0069268500000000 ] - [ -0.0103255300000000, 0.0392810900000000, -0.0145269200000000 ] - [ -0.0026275100000000, 0.0035140600000000, 0.0009728400000000 ] - [ 0.0021866500000000, -0.0101285600000000, -0.0031183400000000 ] - [ 0.0031546800000000, -0.0034180200000000, -0.0017446200000000 ] - [ 0.0122153800000000, 0.0220223600000000, 0.0080897100000000 ] - [ 0.0022831200000000, 0.0031598600000000, -0.0018239800000000 ] - [ -0.0006990900000000, -0.0087467100000000, 0.0017016600000000 ] - [ -0.0022715100000000, -0.0040847800000000, 0.0006656400000000 ] - [ -0.0061809100000000, 0.0030410600000000, 0.0020106100000000 ] - [ 0.0022520500000000, 0.0182864700000000, 0.0024825800000000 ] - [ 0.0050911100000000, -0.0046768100000000, -0.0021988300000000 ] - [ -0.0004363400000000, -0.0076213600000000, -0.0001141500000000 ] - [ 0.0053029200000000, 0.0048895400000000, -0.0014319500000000 ] - [ 0.0072789600000000, 0.0256259000000000, 0.0025116900000000 ] - [ -0.0037845500000000, -0.0038849700000000, 0.0019124900000000 ] - [ 0.0001404900000000, -0.0074672500000000, 0.0003858500000000 ] - [ -0.0013976800000000, 0.0258038000000000, -0.0016205000000000 ] - [ 0.0050372500000000, 0.0030032100000000, 0.0016614800000000 ] - [ 0.0018584800000000, -0.0072205600000000, -0.0023974800000000 ] - [ -0.0000218800000000, -0.0020262900000000, -0.0014463000000000 ] - [ -0.0069277800000000, 0.0348106200000000, 0.0081283900000000 ] - [ -0.0050142900000000, 0.0031772300000000, -0.0016769400000000 ] - [ -0.0015166800000000, -0.0070805100000000, 0.0008792500000000 ] - [ -0.0000747800000000, -0.0022141400000000, 0.0007526100000000 ] - [ 0.0015971700000000, 0.0021430200000000, -0.0003193700000000 ] - [ 0.0015713800000000, 0.0051002500000000, 0.0066195400000000 ] - [ -0.0008231200000000, -0.0013489000000000, -0.0005067600000000 ] - [ -0.0022478800000000, -0.0046859900000000, -0.0018270800000000 ] - [ 0.0008948900000000, 0.0027233900000000, -0.0003657100000000 ] - [ -0.0044072200000000, 0.0030342100000000, -0.0062181000000000 ] - [ 0.0001786500000000, -0.0017926600000000, 0.0002864200000000 ] - [ 0.0041270100000000, -0.0039774900000000, 0.0034023000000000 ] - [ -0.0009065900000000, 0.0040344400000000, 0.0001570600000000 ] - [ -0.0013247200000000, 0.0008253800000000, -0.0004651700000000 ] - [ 0.0011281100000000, -0.0028378300000000, -0.0001524600000000 ] - [ 0.0005290800000000, -0.0016962500000000, -0.0001272900000000 ] - [ 0.0021226400000000, -0.0004972100000000, -0.0046819500000000 ] - [ -0.0002579300000000, -0.0007186800000000, -0.0007649500000000 ] - [ -0.0019236800000000, -0.0003616000000000, 0.0050047700000000 ] - [ -0.0001341900000000, 0.0002031600000000, 0.0007441000000000 ] - [ -0.0000594400000000, 0.0032979200000000, -0.0012686200000000 ] - [ -0.0008720200000000, 0.0046161800000000, 0.0014340500000000 ] - [ 0.0003532500000000, -0.0029556100000000, 0.0003136700000000 ] - [ 0.0006162300000000, -0.0035532500000000, -0.0004616300000000 ] - [ 0.0002877200000000, -0.0005740400000000, 0.0013529200000000 ] - [ -0.0021244200000000, -0.0031478800000000, 0.0022652300000000 ] - [ -0.0025084100000000, -0.0020758200000000, -0.0025725600000000 ] - [ 0.0000892700000000, 0.0005087800000000, -0.0007501100000000 ] - [ 0.0033344400000000, 0.0065163000000000, 0.0011140800000000 ] - [ 0.0005314400000000, 0.0017908300000000, -0.0006161400000000 ] - [ -0.0000997800000000, -0.0041165500000000, -0.0004550800000000 ] - [ -0.0005236600000000, -0.0028731600000000, 0.0001391800000000 ] - [ 0.0008929200000000, -0.0026804300000000, 0.0031885400000000 ] - [ -0.0016178400000000, -0.0009806800000000, 0.0002498000000000 ] - [ -0.0001201100000000, -0.0014700600000000, -0.0027748300000000 ] - [ -0.0008151600000000, 0.0005940500000000, -0.0004181700000000 ] - [ -0.0050247000000000, 0.0048208500000000, 0.0003111100000000 ] - [ -0.0034201200000000, 0.0260814200000000, 0.0007196600000000 ] - [ 0.0013566900000000, -0.0034927800000000, 0.0001061600000000 ] - [ 0.0014036200000000, -0.0044661800000000, 0.0000287600000000 ] - [ 0.0070797300000000, -0.0011897100000000, 0.0066333600000000 ] - [ -0.0058063700000000, -0.0037179300000000, 0.0039642000000000 ] - [ -0.0056558800000000, -0.0033744500000000, -0.0047304700000000 ] - [ 0.0020520300000000, -0.0009250900000000, -0.0048798400000000 ]- atom: 1 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0130056500000000, 0.2301908400000000, -0.0040470200000000 ] - [ -0.0016609200000000, 0.0103682700000000, 0.0026641400000000 ] - [ -0.0013659100000000, -0.0168359300000000, 0.0013951000000000 ] - [ -0.0013425600000000, -0.0068039600000000, 0.0006361900000000 ] - [ 0.0357048700000000, -0.0279958800000000, -0.0059661900000000 ] - [ -0.0165030800000000, -0.0109667300000000, 0.0040260900000000 ] - [ -0.0248126800000000, -0.0281432000000000, 0.0027520000000000 ] - [ 0.0190839700000000, -0.0109618600000000, -0.0061511700000000 ] - [ 0.0013822000000000, 0.0287070000000000, -0.0007897800000000 ] - [ -0.0004771100000000, 0.0286918700000000, -0.0013131500000000 ] - [ -0.0008125200000000, -0.0080135600000000, -0.0011199400000000 ] - [ -0.0016344600000000, -0.0080144300000000, -0.0008689400000000 ] - [ 0.0009467300000000, -0.0005736900000000, -0.0035679800000000 ] - [ -0.0037172300000000, -0.0210751300000000, -0.0256845400000000 ] - [ 0.0000915300000000, -0.0005610300000000, 0.0026142400000000 ] - [ 0.0048445400000000, -0.0211837700000000, 0.0256151700000000 ] - [ -0.0006341000000000, 0.0053848900000000, 0.0035331200000000 ] - [ -0.0026337400000000, 0.0022520200000000, 0.0000081400000000 ] - [ 0.0000564200000000, -0.0063726300000000, 0.0001728000000000 ] - [ -0.0005785800000000, -0.0033739900000000, 0.0006430900000000 ] - [ 0.0036504000000000, 0.0038291900000000, 0.0004122700000000 ] - [ -0.0023855700000000, 0.0019271800000000, -0.0007141400000000 ] - [ -0.0008004300000000, -0.0054023700000000, 0.0007785400000000 ] - [ 0.0020995800000000, -0.0030207700000000, 0.0022807200000000 ] - [ -0.0125742400000000, 0.0055752100000000, -0.0204087700000000 ] - [ 0.0006467400000000, 0.0056729900000000, -0.0059600000000000 ] - [ 0.0021274600000000, -0.0077758600000000, 0.0030010300000000 ] - [ -0.0019937900000000, -0.0077759000000000, 0.0018417400000000 ] - [ 0.0020656300000000, 0.0053305300000000, 0.0015343100000000 ] - [ -0.0166819800000000, 0.0047571000000000, 0.0376661800000000 ] - [ -0.0019360900000000, -0.0053355900000000, -0.0031457900000000 ] - [ 0.0032508400000000, -0.0083378700000000, -0.0084244500000000 ] - [ 0.0093945900000000, -0.0368400500000000, 0.0128531000000000 ] - [ 0.0027515800000000, -0.0032179300000000, -0.0011633400000000 ] - [ -0.0020047700000000, 0.0104322800000000, 0.0029624100000000 ] - [ -0.0029977600000000, 0.0036573700000000, 0.0015402900000000 ] - [ -0.0132469400000000, -0.0222392900000000, -0.0088764800000000 ] - [ -0.0023751000000000, -0.0029064100000000, 0.0016687900000000 ] - [ 0.0005794200000000, 0.0089782000000000, -0.0018789500000000 ] - [ 0.0021166700000000, 0.0043332400000000, -0.0008604700000000 ] - [ 0.0073113200000000, -0.0020843500000000, -0.0018410900000000 ] - [ -0.0001407200000000, -0.0183761200000000, -0.0016905700000000 ] - [ -0.0039141500000000, 0.0055934600000000, 0.0023433700000000 ] - [ 0.0015520300000000, 0.0085227400000000, 0.0002643500000000 ] - [ -0.0064023300000000, -0.0039051100000000, 0.0015856000000000 ] - [ -0.0077085000000000, -0.0242046300000000, -0.0019082900000000 ] - [ 0.0026340800000000, 0.0048033100000000, -0.0017354300000000 ] - [ -0.0012986900000000, 0.0083698800000000, -0.0002350200000000 ] - [ 0.0018799800000000, -0.0257644500000000, 0.0022887700000000 ] - [ -0.0038832600000000, -0.0020423200000000, -0.0018225800000000 ] - [ -0.0007076500000000, 0.0081234700000000, 0.0022072100000000 ] - [ 0.0011499600000000, 0.0029684400000000, 0.0012725800000000 ] - [ 0.0051453000000000, -0.0330806600000000, -0.0074316200000000 ] - [ 0.0038673800000000, -0.0022126500000000, 0.0015039600000000 ] - [ 0.0003925100000000, 0.0079981800000000, -0.0010627000000000 ] - [ -0.0010644100000000, 0.0031486500000000, -0.0009158700000000 ] - [ -0.0017224500000000, -0.0018624600000000, 0.0005056600000000 ] - [ -0.0017142600000000, -0.0048352600000000, -0.0064231000000000 ] - [ 0.0006858600000000, 0.0016136100000000, 0.0006976800000000 ] - [ 0.0020983300000000, 0.0049367600000000, 0.0020111100000000 ] - [ -0.0007640500000000, -0.0024526700000000, 0.0005656700000000 ] - [ 0.0045127900000000, -0.0027450200000000, 0.0063805800000000 ] - [ -0.0000337100000000, 0.0020433500000000, -0.0000867000000000 ] - [ -0.0039815600000000, 0.0042242200000000, -0.0032034900000000 ] - [ 0.0007605500000000, -0.0042875500000000, -0.0003760500000000 ] - [ 0.0011774800000000, -0.0010882900000000, 0.0002501100000000 ] - [ -0.0012639600000000, 0.0025573400000000, -0.0000555400000000 ] - [ -0.0006720500000000, 0.0014207200000000, -0.0000831000000000 ] - [ -0.0019635900000000, 0.0002385100000000, 0.0044524600000000 ] - [ 0.0004057500000000, 0.0004565100000000, 0.0005516100000000 ] - [ 0.0020594000000000, 0.0000834000000000, -0.0051985600000000 ] - [ 0.0002748200000000, -0.0004736000000000, -0.0009531700000000 ] - [ 0.0011881800000000, -0.0042214000000000, 0.0014209500000000 ] - [ 0.0020089300000000, -0.0055047200000000, -0.0013637500000000 ] - [ 0.0007859500000000, 0.0019903400000000, -0.0001456500000000 ] - [ 0.0005124500000000, 0.0025924600000000, 0.0006364100000000 ] - [ -0.0014180500000000, -0.0003680600000000, -0.0011774400000000 ] - [ 0.0009844300000000, 0.0022000900000000, -0.0020870900000000 ] - [ 0.0013673200000000, 0.0011089000000000, 0.0027216200000000 ] - [ -0.0012299600000000, -0.0014955700000000, 0.0009047200000000 ] - [ -0.0022111700000000, -0.0074181100000000, -0.0012916200000000 ] - [ 0.0006247800000000, -0.0027154900000000, 0.0004344900000000 ] - [ 0.0012370800000000, 0.0031555600000000, 0.0003047200000000 ] - [ 0.0016504200000000, 0.0019065800000000, -0.0003020200000000 ] - [ -0.0020435500000000, 0.0017461900000000, -0.0033471100000000 ] - [ 0.0004749600000000, 0.0000390100000000, -0.0004112000000000 ] - [ -0.0010086500000000, 0.0004907500000000, 0.0025976700000000 ] - [ -0.0002777300000000, -0.0015903800000000, 0.0002270900000000 ] - [ 0.0048482800000000, -0.0050567500000000, -0.0001076500000000 ] - [ 0.0034223800000000, -0.0263706300000000, -0.0007762700000000 ] - [ -0.0014844100000000, 0.0032024400000000, 0.0001004800000000 ] - [ -0.0015590100000000, 0.0041891500000000, 0.0001922700000000 ] - [ -0.0068912600000000, 0.0009250100000000, -0.0063851100000000 ] - [ 0.0058981000000000, 0.0034637600000000, -0.0037134000000000 ] - [ 0.0057765900000000, 0.0030641400000000, 0.0049316500000000 ] - [ -0.0019575700000000, 0.0006189700000000, 0.0051200300000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0009559500000000, 0.0048528800000000, -0.2342293000000000 ] - [ -0.0015820600000000, -0.0013824300000000, -0.0099109600000000 ] - [ -0.0030658700000000, -0.0000791900000000, -0.0085774500000000 ] - [ 0.0006126200000000, 0.0006606000000000, -0.0019400300000000 ] - [ 0.0093272300000000, -0.0015144900000000, -0.0313791000000000 ] - [ 0.0056537200000000, 0.0074430400000000, -0.0164916400000000 ] - [ -0.0008399900000000, 0.0073526200000000, -0.0314003300000000 ] - [ 0.0081869500000000, -0.0027147900000000, -0.0164759400000000 ] - [ -0.0333707800000000, -0.0000081000000000, 0.0187438900000000 ] - [ 0.0262530100000000, 0.0005282500000000, 0.0187033900000000 ] - [ -0.0034648500000000, 0.0004188300000000, -0.0000108100000000 ] - [ 0.0023426200000000, 0.0001640500000000, -0.0000132300000000 ] - [ -0.0001976700000000, 0.0039093400000000, -0.0001748600000000 ] - [ 0.0068438400000000, 0.0268851600000000, 0.0164908700000000 ] - [ 0.0002708400000000, -0.0022787700000000, -0.0001756900000000 ] - [ 0.0074378200000000, -0.0246134600000000, 0.0164633800000000 ] - [ 0.0003181400000000, 0.0021948800000000, 0.0230648500000000 ] - [ -0.0007921700000000, -0.0013067400000000, 0.0089304500000000 ] - [ -0.0008100400000000, -0.0011218500000000, 0.0085571500000000 ] - [ -0.0005219000000000, -0.0006539000000000, 0.0040502100000000 ] - [ 0.0016826900000000, -0.0008799300000000, 0.0134649600000000 ] - [ -0.0013755000000000, -0.0020154500000000, 0.0125385200000000 ] - [ -0.0006291200000000, -0.0005251400000000, 0.0070656000000000 ] - [ 0.0012923700000000, 0.0009720000000000, 0.0078411800000000 ] - [ 0.0180341700000000, 0.0046856800000000, 0.0189641800000000 ] - [ -0.0333044700000000, 0.0191115700000000, 0.0188555100000000 ] - [ 0.0015981600000000, -0.0031465300000000, 0.0000453900000000 ] - [ -0.0037166900000000, -0.0043125900000000, 0.0000355500000000 ] - [ 0.0018366700000000, -0.0028389700000000, -0.0001939700000000 ] - [ -0.0015519700000000, -0.0388299900000000, 0.0414267500000000 ] - [ 0.0015160800000000, 0.0018456700000000, -0.0012204200000000 ] - [ 0.0018879400000000, 0.0070599600000000, 0.0024839400000000 ] - [ -0.0054029000000000, -0.0080920100000000, 0.0339672700000000 ] - [ -0.0008013300000000, 0.0011227100000000, 0.0034567400000000 ] - [ -0.0002966200000000, -0.0040347200000000, 0.0035844900000000 ] - [ -0.0020307400000000, 0.0002513900000000, 0.0032178800000000 ] - [ 0.0249178600000000, 0.0115490200000000, 0.0364709200000000 ] - [ 0.0066452200000000, -0.0022536100000000, 0.0094227400000000 ] - [ -0.0010711500000000, 0.0031099200000000, 0.0020471100000000 ] - [ 0.0007265100000000, -0.0012396700000000, 0.0032409200000000 ] - [ 0.0036951500000000, 0.0010367200000000, 0.0052657300000000 ] - [ -0.0024151200000000, 0.0012121200000000, 0.0129415000000000 ] - [ -0.0010107800000000, 0.0017459000000000, 0.0019529800000000 ] - [ 0.0008310600000000, -0.0035269400000000, 0.0026426200000000 ] - [ 0.0040701800000000, -0.0010305500000000, 0.0042180100000000 ] - [ -0.0054795700000000, -0.0029079500000000, 0.0126537200000000 ] - [ -0.0018491800000000, -0.0001648500000000, 0.0017533200000000 ] - [ -0.0015009200000000, 0.0040245200000000, 0.0022104400000000 ] - [ 0.0023508400000000, 0.0051415100000000, 0.0191235600000000 ] - [ -0.0038272800000000, 0.0015473000000000, 0.0023167800000000 ] - [ 0.0023096900000000, -0.0040286600000000, 0.0030239100000000 ] - [ -0.0002251300000000, -0.0000676300000000, 0.0006322500000000 ] - [ -0.0003821300000000, -0.0027187600000000, 0.0238063400000000 ] - [ -0.0054435900000000, -0.0004713600000000, 0.0010069100000000 ] - [ 0.0018969800000000, 0.0054758500000000, 0.0033281800000000 ] - [ -0.0014352200000000, 0.0008522000000000, 0.0006615800000000 ] - [ 0.0046799900000000, 0.0028247800000000, -0.0043134500000000 ] - [ -0.0001853300000000, 0.0029287400000000, -0.0114775100000000 ] - [ 0.0005507400000000, -0.0003358300000000, -0.0009744500000000 ] - [ -0.0004268200000000, -0.0031617400000000, -0.0037114600000000 ] - [ 0.0020020600000000, -0.0030115400000000, -0.0047432300000000 ] - [ -0.0035330800000000, -0.0008441300000000, -0.0083171100000000 ] - [ -0.0000479800000000, 0.0009624600000000, -0.0014341100000000 ] - [ -0.0044824300000000, 0.0031428100000000, -0.0043861300000000 ] - [ -0.0006809200000000, -0.0007393800000000, -0.0101605600000000 ] - [ -0.0033464000000000, -0.0004451900000000, -0.0068890400000000 ] - [ -0.0001596600000000, -0.0001752800000000, -0.0018737600000000 ] - [ -0.0012210900000000, -0.0001697000000000, -0.0022896100000000 ] - [ 0.0022458200000000, -0.0013969900000000, -0.0074933900000000 ] - [ 0.0008283300000000, -0.0004207300000000, -0.0025596000000000 ] - [ 0.0027175700000000, 0.0007887400000000, -0.0079034300000000 ] - [ 0.0004331600000000, 0.0001529500000000, -0.0024985600000000 ] - [ -0.0007001700000000, 0.0007934200000000, -0.0029859100000000 ] - [ 0.0027801200000000, 0.0001695700000000, -0.0130703500000000 ] - [ 0.0006021700000000, -0.0005085000000000, -0.0009272500000000 ] - [ 0.0003385200000000, -0.0008410400000000, -0.0015691700000000 ] - [ -0.0010008700000000, -0.0004826600000000, -0.0014040800000000 ] - [ 0.0020235400000000, 0.0026954000000000, -0.0043097600000000 ] - [ -0.0018443500000000, -0.0022328200000000, -0.0029350200000000 ] - [ -0.0011360600000000, -0.0034535200000000, -0.0052703800000000 ] - [ -0.0039287700000000, -0.0002180000000000, -0.0111195900000000 ] - [ 0.0035064600000000, 0.0017131600000000, -0.0039528700000000 ] - [ 0.0003374400000000, -0.0005774800000000, -0.0014498700000000 ] - [ 0.0008497800000000, -0.0006331600000000, -0.0011683700000000 ] - [ -0.0051770100000000, 0.0040598900000000, -0.0060065800000000 ] - [ -0.0000484300000000, -0.0000045400000000, -0.0012639800000000 ] - [ -0.0010243900000000, -0.0031214700000000, -0.0058647400000000 ] - [ 0.0038530700000000, -0.0044945100000000, -0.0033376500000000 ] - [ -0.0053271900000000, 0.0020674600000000, 0.0019441500000000 ] - [ -0.0240597700000000, 0.0003159900000000, 0.0500821300000000 ] - [ -0.0013389000000000, 0.0000028500000000, 0.0013035500000000 ] - [ -0.0006274500000000, -0.0002531300000000, 0.0020429100000000 ] - [ -0.0019228400000000, 0.0022946200000000, 0.0011451000000000 ] - [ 0.0084348800000000, 0.0088245200000000, 0.0056948500000000 ] - [ -0.0022937400000000, -0.0051874300000000, 0.0020830100000000 ] - [ 0.0032304400000000, -0.0074232700000000, 0.0048873300000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0029721000000000, -0.0038947900000000, 0.2379614700000000 ] - [ 0.0001740700000000, 0.0025687200000000, 0.0113591900000000 ] - [ 0.0016321600000000, 0.0012685500000000, 0.0100158700000000 ] - [ -0.0020407000000000, 0.0005271400000000, 0.0033626200000000 ] - [ -0.0078634000000000, 0.0026238400000000, 0.0328631700000000 ] - [ -0.0042620400000000, -0.0063119400000000, 0.0179857100000000 ] - [ 0.0023420200000000, -0.0060683900000000, 0.0328414200000000 ] - [ -0.0068457900000000, 0.0039564900000000, 0.0180014700000000 ] - [ 0.0317932000000000, 0.0011855900000000, -0.0201626900000000 ] - [ -0.0275101100000000, 0.0006520300000000, -0.0202010200000000 ] - [ 0.0020395200000000, 0.0007668900000000, -0.0014183500000000 ] - [ -0.0037793600000000, 0.0010191200000000, -0.0014206100000000 ] - [ 0.0016333300000000, -0.0027345700000000, -0.0012562000000000 ] - [ -0.0054014500000000, -0.0255941100000000, -0.0179379100000000 ] - [ 0.0011662900000000, 0.0034673900000000, -0.0012574100000000 ] - [ -0.0059683200000000, 0.0256572000000000, -0.0179646900000000 ] - [ -0.0018032100000000, -0.0034233900000000, -0.0216668200000000 ] - [ -0.0006339300000000, 0.0001159400000000, -0.0075391700000000 ] - [ -0.0006189400000000, -0.0000469000000000, -0.0071805300000000 ] - [ -0.0009058500000000, -0.0005236400000000, -0.0026503300000000 ] - [ -0.0002823500000000, -0.0002758800000000, -0.0121009600000000 ] - [ 0.0028474000000000, 0.0008604100000000, -0.0111700500000000 ] - [ 0.0020454600000000, -0.0006676800000000, -0.0056732400000000 ] - [ 0.0001556200000000, -0.0021696300000000, -0.0064513800000000 ] - [ -0.0195409400000000, -0.0059245100000000, -0.0203225400000000 ] - [ 0.0321645600000000, -0.0204392100000000, -0.0204327900000000 ] - [ -0.0030485200000000, 0.0019803600000000, -0.0014352000000000 ] - [ 0.0023039100000000, 0.0031558900000000, -0.0014455100000000 ] - [ -0.0004016100000000, 0.0016609700000000, -0.0011982900000000 ] - [ 0.0030099100000000, 0.0382019400000000, -0.0433767400000000 ] - [ -0.0000779500000000, -0.0030302300000000, -0.0001733500000000 ] - [ -0.0004852200000000, -0.0082903700000000, -0.0038776800000000 ] - [ 0.0053184200000000, 0.0090296800000000, -0.0345784300000000 ] - [ 0.0009445800000000, -0.0008575200000000, -0.0036757200000000 ] - [ 0.0004604700000000, 0.0042921500000000, -0.0038210000000000 ] - [ 0.0021836100000000, 0.0000106100000000, -0.0034396000000000 ] - [ -0.0262112300000000, -0.0120285400000000, -0.0371031300000000 ] - [ -0.0068377500000000, 0.0025397200000000, -0.0096799200000000 ] - [ 0.0009276900000000, -0.0028387600000000, -0.0022633600000000 ] - [ -0.0008768800000000, 0.0015107900000000, -0.0034618900000000 ] - [ -0.0025786200000000, -0.0000779500000000, -0.0051011400000000 ] - [ 0.0039134300000000, -0.0005950900000000, -0.0124553000000000 ] - [ 0.0021466400000000, -0.0007985000000000, -0.0017896700000000 ] - [ 0.0003074600000000, 0.0044923400000000, -0.0024782600000000 ] - [ -0.0052172600000000, 0.0019778700000000, -0.0040511200000000 ] - [ 0.0045801500000000, 0.0040457400000000, -0.0122201200000000 ] - [ 0.0007055700000000, 0.0011067800000000, -0.0015851400000000 ] - [ 0.0003664000000000, -0.0030987100000000, -0.0020420400000000 ] - [ -0.0019142800000000, -0.0049454700000000, -0.0184086200000000 ] - [ 0.0049924100000000, -0.0005921800000000, -0.0024866500000000 ] - [ -0.0011736600000000, 0.0049920400000000, -0.0031934000000000 ] - [ 0.0013630300000000, 0.0010200100000000, -0.0007961700000000 ] - [ -0.0014693400000000, 0.0045850900000000, -0.0228553700000000 ] - [ 0.0043268800000000, 0.0014196400000000, -0.0011684400000000 ] - [ -0.0030185500000000, -0.0045385700000000, -0.0034962500000000 ] - [ 0.0003017400000000, 0.0000939800000000, -0.0008245300000000 ] - [ -0.0048245400000000, -0.0025541800000000, 0.0045305100000000 ] - [ -0.0000141200000000, -0.0025881800000000, 0.0116588100000000 ] - [ -0.0006962000000000, 0.0006018500000000, 0.0011844600000000 ] - [ 0.0002857000000000, 0.0034363100000000, 0.0039344700000000 ] - [ -0.0018617400000000, 0.0032796300000000, 0.0049791400000000 ] - [ 0.0036743400000000, 0.0011052500000000, 0.0085762600000000 ] - [ 0.0001931400000000, -0.0006989900000000, 0.0016519700000000 ] - [ 0.0046250600000000, -0.0028658800000000, 0.0046079700000000 ] - [ 0.0005743500000000, 0.0004633900000000, 0.0099805500000000 ] - [ 0.0032060100000000, 0.0001773500000000, 0.0067210300000000 ] - [ 0.0000246100000000, -0.0000935700000000, 0.0016841900000000 ] - [ 0.0010822500000000, -0.0000947100000000, 0.0020977600000000 ] - [ -0.0021136800000000, 0.0011240800000000, 0.0073295700000000 ] - [ -0.0006990800000000, 0.0001485800000000, 0.0023716300000000 ] - [ -0.0025701400000000, -0.0010303800000000, 0.0077287000000000 ] - [ -0.0002983300000000, -0.0004188800000000, 0.0023088700000000 ] - [ 0.0018490100000000, -0.0017447100000000, 0.0031536400000000 ] - [ -0.0016872500000000, -0.0011324900000000, 0.0133217900000000 ] - [ 0.0005347400000000, -0.0004422500000000, 0.0010925000000000 ] - [ 0.0007976700000000, -0.0001074100000000, 0.0017371400000000 ] - [ -0.0001264500000000, -0.0004699100000000, 0.0015685100000000 ] - [ -0.0031673300000000, -0.0036609300000000, 0.0044892300000000 ] - [ 0.0007149300000000, 0.0012917900000000, 0.0031019000000000 ] - [ -0.0000068600000000, 0.0025303600000000, 0.0054363100000000 ] - [ 0.0051156900000000, -0.0007293100000000, 0.0109848600000000 ] - [ -0.0023910300000000, -0.0026716700000000, 0.0037957900000000 ] - [ 0.0008029600000000, -0.0003730000000000, 0.0012843500000000 ] - [ 0.0002781000000000, -0.0003196900000000, 0.0010042200000000 ] - [ 0.0040819600000000, -0.0050515500000000, 0.0058793000000000 ] - [ -0.0010933200000000, -0.0009480100000000, 0.0010991700000000 ] - [ -0.0000941400000000, 0.0021887200000000, 0.0056997200000000 ] - [ -0.0049975200000000, 0.0035538400000000, 0.0031711000000000 ] - [ 0.0051827000000000, -0.0023299700000000, -0.0017581100000000 ] - [ 0.0264999100000000, -0.0007060400000000, -0.0534205500000000 ] - [ 0.0012030600000000, -0.0002749000000000, -0.0011103500000000 ] - [ 0.0004972000000000, -0.0000160000000000, -0.0018577500000000 ] - [ 0.0020612300000000, -0.0025678700000000, -0.0009616200000000 ] - [ -0.0083461500000000, -0.0091592500000000, -0.0055259700000000 ] - [ 0.0024176500000000, 0.0049121400000000, -0.0019091500000000 ] - [ -0.0031209900000000, 0.0072180400000000, -0.0047241100000000 ]- atom: 33 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0272314500000000, -0.0094671000000000, -0.0045162300000000 ] - [ -0.0064715500000000, -0.0020793800000000, -0.0001657100000000 ] - [ 0.0066689000000000, 0.0026883800000000, 0.0003340300000000 ] - [ -0.0068789200000000, 0.0036489600000000, -0.0013991100000000 ] - [ 0.0390808300000000, -0.0113987100000000, -0.0239550100000000 ] - [ -0.0084543000000000, -0.0017338300000000, -0.0060526900000000 ] - [ 0.0012963100000000, 0.0012088300000000, 0.0017168700000000 ] - [ -0.0016046000000000, 0.0027740000000000, -0.0001087300000000 ] - [ -0.0002161800000000, -0.0038628500000000, 0.0028946600000000 ] - [ -0.0031318100000000, 0.0014333400000000, -0.0026278900000000 ] - [ 0.0005819600000000, 0.0046274600000000, 0.0038351500000000 ] - [ -0.0014490000000000, 0.0006932600000000, -0.0005857200000000 ] - [ -0.0044368100000000, -0.0010650100000000, 0.0040264200000000 ] - [ 0.0078090600000000, -0.0010317300000000, -0.0007765200000000 ] - [ -0.0009530800000000, 0.0013422600000000, -0.0000814700000000 ] - [ 0.0019342500000000, 0.0027497300000000, -0.0010495300000000 ] - [ 0.0034834300000000, 0.0013942000000000, 0.0033472500000000 ] - [ -0.0030682100000000, -0.0003850000000000, 0.0010741700000000 ] - [ 0.0028419800000000, -0.0026281900000000, 0.0028797100000000 ] - [ -0.0036523200000000, -0.0002633900000000, 0.0014713300000000 ] - [ 0.0034496700000000, -0.0014196500000000, 0.0013267100000000 ] - [ -0.0047245100000000, -0.0018345500000000, 0.0039853000000000 ] - [ 0.0018403700000000, 0.0005987300000000, 0.0007974500000000 ] - [ -0.0003935400000000, 0.0000061400000000, 0.0018592300000000 ] - [ 0.0006351800000000, -0.0025941100000000, -0.0038982100000000 ] - [ -0.0089764400000000, 0.0051229300000000, 0.0016526100000000 ] - [ 0.0016922700000000, 0.0052429400000000, -0.0090804900000000 ] - [ -0.0043030600000000, -0.0075846300000000, 0.0012954900000000 ] - [ -0.0096437100000000, -0.0055001000000000, -0.0059355700000000 ] - [ 0.0311765300000000, -0.0040427300000000, -0.0267963400000000 ] - [ -0.0015155700000000, 0.0008210400000000, -0.0019770700000000 ] - [ 0.0037263100000000, 0.0008853800000000, -0.0012687500000000 ] - [ -0.1440283400000000, 0.0605545700000000, 0.0789609200000000 ] - [ 0.0044383700000000, -0.0003519000000000, -0.0013315700000000 ] - [ -0.0012639000000000, -0.0003852400000000, 0.0008714100000000 ] - [ 0.0015390700000000, -0.0012399500000000, -0.0000149100000000 ] - [ -0.0042178000000000, 0.0065384200000000, -0.0014698800000000 ] - [ 0.0029575200000000, 0.0002919200000000, 0.0019934600000000 ] - [ -0.0042137500000000, -0.0108249400000000, 0.0023805700000000 ] - [ 0.0029628500000000, 0.0023101200000000, 0.0017072800000000 ] - [ 0.0006890000000000, 0.0012736500000000, -0.0001909100000000 ] - [ 0.0030013000000000, -0.0018435700000000, 0.0017903100000000 ] - [ 0.0142450300000000, -0.0113173900000000, -0.0065404400000000 ] - [ -0.0003696400000000, 0.0020757100000000, 0.0013848100000000 ] - [ 0.0051846400000000, 0.0054010400000000, -0.0041471800000000 ] - [ 0.0052176400000000, -0.0004823500000000, 0.0084404200000000 ] - [ -0.0001758000000000, -0.0009338900000000, -0.0000037900000000 ] - [ -0.0013626000000000, -0.0005002000000000, -0.0000453900000000 ] - [ -0.0033499700000000, -0.0006898000000000, 0.0024724400000000 ] - [ 0.0019670700000000, 0.0002748000000000, -0.0000816600000000 ] - [ -0.0045556800000000, -0.0030201800000000, -0.0040655200000000 ] - [ 0.0033790600000000, 0.0012603800000000, 0.0005963700000000 ] - [ -0.0094358300000000, 0.0061505400000000, -0.0124921800000000 ] - [ 0.0026310900000000, 0.0004974600000000, 0.0002411900000000 ] - [ -0.0014813100000000, -0.0010578500000000, -0.0004275800000000 ] - [ 0.0002402100000000, 0.0000009800000000, -0.0002287100000000 ] - [ 0.0008589500000000, 0.0005430800000000, -0.0007956800000000 ] - [ -0.0006697300000000, -0.0003660300000000, -0.0000214700000000 ] - [ 0.0008566300000000, 0.0000793000000000, -0.0021689900000000 ] - [ -0.0006694000000000, 0.0000765800000000, -0.0006176600000000 ] - [ -0.0005144900000000, 0.0005384600000000, -0.0014274700000000 ] - [ -0.0005242500000000, 0.0010171100000000, -0.0000635000000000 ] - [ 0.0002354500000000, -0.0007551500000000, -0.0005382300000000 ] - [ 0.0002320400000000, -0.0002534500000000, -0.0001646700000000 ] - [ -0.0013686300000000, 0.0007146700000000, -0.0017903400000000 ] - [ 0.0013370300000000, -0.0005077700000000, 0.0001076000000000 ] - [ -0.0012638600000000, 0.0000393600000000, -0.0016412700000000 ] - [ 0.0006183000000000, -0.0005915700000000, -0.0001991700000000 ] - [ -0.0008410000000000, -0.0003828100000000, -0.0009895000000000 ] - [ 0.0023048200000000, 0.0007219400000000, -0.0020767000000000 ] - [ -0.0007949100000000, -0.0009772700000000, 0.0000379800000000 ] - [ 0.0008059300000000, -0.0000939200000000, -0.0008271300000000 ] - [ 0.0004863700000000, 0.0003886200000000, 0.0008213100000000 ] - [ 0.0053836800000000, -0.0068479100000000, -0.0060828800000000 ] - [ 0.0011848300000000, -0.0013980500000000, 0.0007558600000000 ] - [ -0.0001875400000000, 0.0003413000000000, -0.0003006100000000 ] - [ -0.0002017500000000, -0.0006277100000000, 0.0026329300000000 ] - [ 0.0026893000000000, 0.0053709000000000, -0.0041734100000000 ] - [ -0.0002754900000000, -0.0006382400000000, 0.0002284400000000 ] - [ -0.0008407500000000, -0.0020546100000000, -0.0005032700000000 ] - [ -0.0049201000000000, -0.0013180100000000, 0.0000155800000000 ] - [ 0.0039574800000000, 0.0007595800000000, 0.0002942000000000 ] - [ -0.0011475100000000, -0.0013811200000000, 0.0007582300000000 ] - [ 0.0022135300000000, -0.0000830000000000, -0.0005830700000000 ] - [ -0.0064069700000000, 0.0014736300000000, -0.0000606500000000 ] - [ 0.0026278900000000, -0.0005826700000000, -0.0003479300000000 ] - [ -0.0016076000000000, -0.0008725600000000, 0.0001995500000000 ] - [ 0.0015237000000000, -0.0020034000000000, -0.0006889900000000 ] - [ 0.0011287200000000, 0.0013770400000000, 0.0002626800000000 ] - [ 0.0165347100000000, -0.0231079300000000, -0.0086409200000000 ] - [ 0.0015813700000000, -0.0027269200000000, 0.0005702100000000 ] - [ -0.0023506800000000, 0.0012096500000000, 0.0018206400000000 ] - [ 0.0198260200000000, -0.0064418600000000, 0.0142456200000000 ] - [ 0.0200997700000000, 0.0096930700000000, -0.0013165300000000 ] - [ 0.0002674400000000, -0.0002869600000000, 0.0005254000000000 ] - [ 0.0002575800000000, -0.0023743000000000, 0.0007230300000000 ]- atom: 33 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0285412400000000, 0.0102346200000000, 0.0062087000000000 ] - [ 0.0050678200000000, 0.0032994400000000, 0.0015800200000000 ] - [ -0.0081138800000000, -0.0015035800000000, 0.0010913300000000 ] - [ 0.0054667300000000, -0.0025038300000000, 0.0028152700000000 ] - [ -0.0395418000000000, 0.0140751200000000, 0.0271899400000000 ] - [ 0.0099152600000000, 0.0029249300000000, 0.0074307100000000 ] - [ 0.0001058700000000, -0.0000691700000000, -0.0002816200000000 ] - [ 0.0030701100000000, -0.0016140500000000, 0.0014951000000000 ] - [ -0.0012725700000000, 0.0050574700000000, -0.0043133400000000 ] - [ 0.0017296000000000, -0.0002253600000000, 0.0012360700000000 ] - [ -0.0020256000000000, -0.0034809900000000, -0.0052724800000000 ] - [ 0.0000305100000000, 0.0004811400000000, -0.0008265800000000 ] - [ 0.0058903900000000, 0.0022552600000000, -0.0054787200000000 ] - [ -0.0063742600000000, 0.0022537500000000, -0.0006051300000000 ] - [ 0.0023865800000000, -0.0001664600000000, -0.0013281500000000 ] - [ -0.0005134700000000, -0.0015962700000000, -0.0003374500000000 ] - [ -0.0049120600000000, -0.0025890400000000, -0.0019408900000000 ] - [ 0.0016353600000000, -0.0007936500000000, 0.0003424900000000 ] - [ -0.0042652100000000, 0.0014580200000000, -0.0014801200000000 ] - [ 0.0022278500000000, -0.0009277000000000, -0.0000562400000000 ] - [ -0.0020539400000000, 0.0002476200000000, 0.0000714700000000 ] - [ 0.0061775300000000, 0.0006679200000000, -0.0025673700000000 ] - [ -0.0004191900000000, -0.0017934600000000, 0.0006129100000000 ] - [ 0.0018340000000000, -0.0011949600000000, -0.0004440800000000 ] - [ -0.0021306100000000, 0.0014154300000000, 0.0024535400000000 ] - [ 0.0075676400000000, -0.0063096400000000, -0.0030586800000000 ] - [ -0.0031931400000000, -0.0064618200000000, 0.0077010800000000 ] - [ 0.0028908000000000, 0.0063857400000000, -0.0026883300000000 ] - [ 0.0111316600000000, 0.0043734900000000, 0.0045750400000000 ] - [ -0.0293046100000000, 0.0027994500000000, 0.0237263300000000 ] - [ 0.0029416800000000, -0.0020201900000000, 0.0005661200000000 ] - [ -0.0022885300000000, -0.0020774300000000, -0.0001441500000000 ] - [ 0.1453361100000000, -0.0614993900000000, -0.0794272500000000 ] - [ -0.0043121200000000, 0.0006095400000000, 0.0011409200000000 ] - [ 0.0013993800000000, 0.0006681400000000, -0.0010723500000000 ] - [ -0.0014077900000000, 0.0015217100000000, -0.0001854100000000 ] - [ 0.0041624800000000, -0.0061826600000000, 0.0012763200000000 ] - [ -0.0031128600000000, -0.0000312000000000, -0.0021957900000000 ] - [ 0.0041672000000000, 0.0111128400000000, -0.0026112500000000 ] - [ -0.0031076200000000, -0.0020361800000000, -0.0019069700000000 ] - [ 0.0004578100000000, -0.0003323900000000, 0.0003569400000000 ] - [ -0.0019736500000000, 0.0028726500000000, -0.0016855500000000 ] - [ -0.0132440200000000, 0.0123683900000000, 0.0067556200000000 ] - [ 0.0014984900000000, -0.0011302300000000, -0.0012206000000000 ] - [ -0.0063719500000000, -0.0045060700000000, 0.0043587800000000 ] - [ -0.0063285800000000, 0.0013951100000000, -0.0082230800000000 ] - [ -0.0009492600000000, 0.0019021400000000, 0.0001652700000000 ] - [ 0.0002277300000000, 0.0014624400000000, 0.0002134800000000 ] - [ 0.0044878700000000, 0.0016430400000000, -0.0026446500000000 ] - [ -0.0008481300000000, 0.0006716000000000, -0.0000815700000000 ] - [ 0.0057696100000000, 0.0039953900000000, 0.0039289000000000 ] - [ -0.0022579100000000, -0.0003068600000000, -0.0007562100000000 ] - [ 0.0084485100000000, -0.0052140400000000, 0.0122263100000000 ] - [ -0.0037808200000000, 0.0004434800000000, -0.0004027800000000 ] - [ 0.0003500100000000, 0.0020239700000000, 0.0002602800000000 ] - [ -0.0013803200000000, 0.0009559200000000, 0.0000652800000000 ] - [ -0.0009950400000000, -0.0002746200000000, 0.0009932400000000 ] - [ 0.0005276000000000, 0.0006311300000000, 0.0002184200000000 ] - [ -0.0009974300000000, 0.0001912400000000, 0.0023804100000000 ] - [ 0.0005278800000000, 0.0001898100000000, 0.0008258900000000 ] - [ 0.0006727800000000, -0.0002800100000000, 0.0016430200000000 ] - [ 0.0006627800000000, -0.0007533500000000, 0.0002623200000000 ] - [ -0.0000949500000000, 0.0010293400000000, 0.0007442300000000 ] - [ -0.0000983600000000, 0.0005290500000000, 0.0003599100000000 ] - [ 0.0012369500000000, -0.0009830000000000, 0.0015955400000000 ] - [ -0.0014840600000000, 0.0002384900000000, -0.0003156500000000 ] - [ 0.0011287300000000, -0.0003074100000000, 0.0014484400000000 ] - [ -0.0007654300000000, 0.0003295300000000, -0.0000057400000000 ] - [ 0.0009809500000000, 0.0001137000000000, 0.0007936800000000 ] - [ -0.0021722300000000, -0.0009933300000000, 0.0018823200000000 ] - [ 0.0009420700000000, 0.0007151900000000, -0.0002449700000000 ] - [ -0.0006661000000000, -0.0001725200000000, 0.0006251000000000 ] - [ 0.0006638000000000, -0.0013502400000000, -0.0006625500000000 ] - [ -0.0042524400000000, 0.0059159400000000, 0.0062868500000000 ] - [ -0.0000478800000000, 0.0004558400000000, -0.0005937300000000 ] - [ 0.0013169000000000, -0.0012885200000000, 0.0004613000000000 ] - [ -0.0009199500000000, -0.0003203500000000, -0.0024904700000000 ] - [ -0.0038106600000000, -0.0063206100000000, 0.0043521900000000 ] - [ -0.0008542100000000, -0.0003060200000000, -0.0000580700000000 ] - [ -0.0002991700000000, 0.0011091800000000, 0.0006649900000000 ] - [ 0.0060645700000000, 0.0003817400000000, -0.0001337700000000 ] - [ -0.0028354500000000, -0.0017189800000000, -0.0004683700000000 ] - [ 0.0022919800000000, 0.0004363200000000, -0.0009278900000000 ] - [ -0.0010771900000000, -0.0008598100000000, 0.0004152600000000 ] - [ 0.0052927800000000, -0.0024496100000000, -0.0000563900000000 ] - [ -0.0037685500000000, -0.0003640700000000, 0.0001720500000000 ] - [ 0.0004726400000000, -0.0000686300000000, -0.0003624100000000 ] - [ -0.0026596800000000, 0.0010511200000000, 0.0005208600000000 ] - [ -0.0012598600000000, -0.0016671100000000, -0.0000669000000000 ] - [ -0.0165869500000000, 0.0225557200000000, 0.0087578700000000 ] - [ -0.0017206400000000, 0.0024827500000000, -0.0003713600000000 ] - [ 0.0022033600000000, -0.0014721700000000, -0.0016175500000000 ] - [ -0.0200085500000000, 0.0063003800000000, -0.0142540700000000 ] - [ -0.0197343900000000, -0.0098511300000000, 0.0014487400000000 ] - [ -0.0001080400000000, 0.0000325500000000, -0.0003152500000000 ] - [ -0.0001180200000000, 0.0021032700000000, -0.0005149500000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0044356400000000, 0.0375235400000000, -0.0069984600000000 ] - [ 0.0008638400000000, 0.0039478100000000, 0.0017003700000000 ] - [ -0.0082096200000000, -0.0096912800000000, -0.0034623000000000 ] - [ 0.0021567000000000, -0.0029319200000000, 0.0008238400000000 ] - [ -0.0150901800000000, 0.0228194400000000, 0.0128182000000000 ] - [ 0.0005984000000000, 0.0036243200000000, -0.0016668400000000 ] - [ -0.0026931700000000, -0.0082506600000000, 0.0036671600000000 ] - [ 0.0043944600000000, -0.0036047900000000, -0.0006578100000000 ] - [ -0.0043659800000000, 0.0034591700000000, 0.0002594100000000 ] - [ 0.0020546600000000, 0.0031609100000000, 0.0024241800000000 ] - [ -0.0003393600000000, -0.0035019500000000, -0.0037173200000000 ] - [ -0.0006692700000000, -0.0013170800000000, -0.0015410800000000 ] - [ 0.0026818000000000, 0.0025892600000000, -0.0033960900000000 ] - [ -0.0018581500000000, 0.0055708800000000, -0.0034693300000000 ] - [ 0.0013499900000000, -0.0008889500000000, -0.0002421500000000 ] - [ 0.0001334100000000, -0.0042058100000000, 0.0025671200000000 ] - [ -0.0000768300000000, -0.0008356800000000, -0.0002194300000000 ] - [ -0.0005690600000000, -0.0002598200000000, 0.0004192700000000 ] - [ -0.0028767600000000, -0.0009430900000000, 0.0019529200000000 ] - [ 0.0007286200000000, -0.0011734100000000, 0.0009881000000000 ] - [ -0.0001787000000000, 0.0035708900000000, 0.0012900300000000 ] - [ 0.0016410800000000, 0.0003621000000000, 0.0010025400000000 ] - [ 0.0001339700000000, -0.0032842800000000, 0.0007454800000000 ] - [ 0.0010717800000000, -0.0021456300000000, 0.0007385200000000 ] - [ -0.0073938600000000, -0.0013928900000000, -0.0079878600000000 ] - [ 0.0052287300000000, -0.0038144800000000, -0.0057336000000000 ] - [ 0.0044993100000000, -0.0041561900000000, 0.0083026000000000 ] - [ -0.0014658400000000, -0.0016230500000000, 0.0017291100000000 ] - [ 0.0044166200000000, 0.0043402200000000, 0.0014915200000000 ] - [ -0.0038766400000000, 0.0256166900000000, -0.0000717200000000 ] - [ 0.0008794100000000, -0.0039328300000000, -0.0005610900000000 ] - [ -0.0001045700000000, -0.0049130800000000, -0.0008101300000000 ] - [ 0.0610466200000000, -0.1255606300000000, 0.0025509500000000 ] - [ -0.0004137300000000, -0.0012283200000000, 0.0005762400000000 ] - [ -0.0004466800000000, 0.0045899900000000, -0.0002830600000000 ] - [ -0.0013060200000000, 0.0020419300000000, 0.0001806300000000 ] - [ 0.0107933900000000, 0.0217815500000000, 0.0023945900000000 ] - [ -0.0022381400000000, 0.0001093200000000, -0.0010462100000000 ] - [ -0.0065046100000000, 0.0221344800000000, -0.0021133400000000 ] - [ -0.0002387700000000, 0.0001021300000000, -0.0000183900000000 ] - [ 0.0019241500000000, 0.0000439700000000, -0.0004123700000000 ] - [ -0.0107133200000000, 0.0092770000000000, -0.0062364300000000 ] - [ -0.0065669800000000, 0.0075853800000000, 0.0038265100000000 ] - [ 0.0024832500000000, 0.0003222100000000, 0.0014757000000000 ] - [ -0.0033660000000000, -0.0049840200000000, 0.0024697600000000 ] - [ -0.0046771500000000, -0.0044513100000000, -0.0028582900000000 ] - [ 0.0004387300000000, 0.0031790600000000, -0.0004664400000000 ] - [ 0.0004602200000000, 0.0032802900000000, 0.0006149200000000 ] - [ 0.0046695500000000, 0.0035958300000000, -0.0048796200000000 ] - [ -0.0010617000000000, 0.0004111100000000, -0.0002983500000000 ] - [ 0.0016705800000000, 0.0033136800000000, 0.0053008000000000 ] - [ -0.0001695600000000, 0.0004909000000000, 0.0002700600000000 ] - [ 0.0023655700000000, -0.0103792300000000, -0.0064364000000000 ] - [ -0.0019185100000000, -0.0006348700000000, -0.0000181000000000 ] - [ -0.0003644000000000, 0.0036607900000000, 0.0003520800000000 ] - [ -0.0008571600000000, 0.0015369500000000, -0.0000323900000000 ] - [ -0.0000131000000000, 0.0001248500000000, 0.0000367200000000 ] - [ -0.0000150300000000, -0.0000708900000000, -0.0010866700000000 ] - [ -0.0004819500000000, 0.0001199000000000, 0.0011377900000000 ] - [ 0.0004254200000000, -0.0000780300000000, 0.0001347700000000 ] - [ 0.0009584700000000, -0.0008624200000000, 0.0003718300000000 ] - [ 0.0004797400000000, -0.0008621100000000, -0.0004806200000000 ] - [ -0.0003202800000000, 0.0013211400000000, 0.0003784100000000 ] - [ -0.0008171900000000, 0.0013176700000000, -0.0003397000000000 ] - [ 0.0007804100000000, -0.0008348400000000, 0.0003858700000000 ] - [ -0.0004451900000000, -0.0004694300000000, -0.0009502900000000 ] - [ 0.0001066900000000, 0.0004918700000000, 0.0005196400000000 ] - [ -0.0005294000000000, 0.0004398000000000, -0.0000602300000000 ] - [ 0.0003182100000000, -0.0010121900000000, -0.0010537600000000 ] - [ -0.0007898200000000, -0.0006567000000000, 0.0004643100000000 ] - [ 0.0009153500000000, 0.0006237300000000, -0.0009392300000000 ] - [ 0.0000300300000000, 0.0001016900000000, 0.0000251300000000 ] - [ 0.0012687300000000, -0.0020572600000000, 0.0002954700000000 ] - [ 0.0022212100000000, -0.0044892000000000, -0.0009353700000000 ] - [ 0.0000244200000000, 0.0010453000000000, -0.0006537700000000 ] - [ 0.0008868800000000, 0.0001027100000000, -0.0003094200000000 ] - [ -0.0016020400000000, -0.0013632300000000, -0.0018583200000000 ] - [ -0.0016753000000000, -0.0035087900000000, 0.0012878700000000 ] - [ -0.0001458700000000, 0.0006231300000000, 0.0009866100000000 ] - [ -0.0006460700000000, 0.0002873700000000, 0.0006314300000000 ] - [ 0.0010192500000000, -0.0006856600000000, 0.0055528600000000 ] - [ -0.0005290000000000, -0.0019084600000000, -0.0000387200000000 ] - [ 0.0015114800000000, 0.0014326300000000, -0.0011289600000000 ] - [ 0.0005203400000000, 0.0004342000000000, -0.0002239100000000 ] - [ -0.0000538100000000, -0.0004253800000000, -0.0060744800000000 ] - [ -0.0008913900000000, -0.0007005300000000, -0.0005978800000000 ] - [ -0.0006739000000000, 0.0010060900000000, 0.0006601800000000 ] - [ -0.0020240200000000, 0.0009815300000000, 0.0005131600000000 ] - [ 0.0014493200000000, -0.0022051900000000, 0.0001205200000000 ] - [ -0.0227369900000000, 0.0124035400000000, 0.0146422200000000 ] - [ -0.0026780300000000, 0.0023938900000000, -0.0000767900000000 ] - [ 0.0012794500000000, 0.0014763200000000, -0.0012624300000000 ] - [ -0.0096975000000000, -0.0012784100000000, -0.0069700300000000 ] - [ 0.0064057200000000, -0.0012874700000000, -0.0020550000000000 ] - [ 0.0022971000000000, 0.0020441500000000, 0.0011735900000000 ] - [ 0.0002291900000000, 0.0020481500000000, 0.0004791700000000 ]- atom: 33 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0039481300000000, -0.0385942100000000, 0.0101431000000000 ] - [ -0.0022959600000000, -0.0027854600000000, -0.0002808400000000 ] - [ 0.0067403700000000, 0.0108691800000000, 0.0048649400000000 ] - [ -0.0035856900000000, 0.0041442200000000, 0.0005826400000000 ] - [ 0.0157157700000000, -0.0214377900000000, -0.0107549500000000 ] - [ 0.0008571900000000, -0.0024421800000000, 0.0031265500000000 ] - [ 0.0041622400000000, 0.0094739100000000, -0.0022817900000000 ] - [ -0.0029988700000000, 0.0048130000000000, 0.0020932600000000 ] - [ 0.0029226000000000, -0.0023206700000000, -0.0016901000000000 ] - [ -0.0035028600000000, -0.0020156500000000, -0.0038671700000000 ] - [ -0.0010720200000000, 0.0047003900000000, 0.0022918200000000 ] - [ -0.0007666000000000, 0.0025185400000000, 0.0001203100000000 ] - [ -0.0012496500000000, -0.0014168000000000, 0.0019833800000000 ] - [ 0.0032960200000000, -0.0043655800000000, 0.0020473900000000 ] - [ 0.0000823900000000, 0.0020729800000000, -0.0011801700000000 ] - [ 0.0012985400000000, 0.0054167400000000, -0.0040314500000000 ] - [ -0.0013571400000000, -0.0003906100000000, 0.0015995000000000 ] - [ -0.0008590900000000, -0.0009364500000000, 0.0009908800000000 ] - [ 0.0014315600000000, -0.0002064400000000, -0.0005688500000000 ] - [ -0.0021564200000000, 0.0000024100000000, 0.0004187600000000 ] - [ 0.0015823500000000, -0.0047510100000000, 0.0000863600000000 ] - [ -0.0001711800000000, -0.0015517900000000, 0.0003796000000000 ] - [ 0.0012949900000000, 0.0021105000000000, 0.0006635600000000 ] - [ 0.0003620500000000, 0.0009718400000000, 0.0006638600000000 ] - [ 0.0059794000000000, 0.0001502600000000, 0.0066542700000000 ] - [ -0.0066670700000000, 0.0026247700000000, 0.0043657900000000 ] - [ -0.0059243100000000, 0.0030255700000000, -0.0096817800000000 ] - [ 0.0000470800000000, 0.0004924500000000, -0.0031334400000000 ] - [ -0.0029922100000000, -0.0055378400000000, -0.0029056300000000 ] - [ 0.0052317000000000, -0.0268408000000000, -0.0010911100000000 ] - [ 0.0005617600000000, 0.0027631200000000, -0.0008387700000000 ] - [ 0.0015264600000000, 0.0037427500000000, -0.0005735700000000 ] - [ -0.0610087200000000, 0.1281367700000000, -0.0051468600000000 ] - [ 0.0005474700000000, 0.0015059900000000, -0.0007822900000000 ] - [ 0.0006066400000000, -0.0043308600000000, 0.0000687400000000 ] - [ 0.0014556200000000, -0.0017865100000000, -0.0003872200000000 ] - [ -0.0111466400000000, -0.0218936900000000, -0.0026487100000000 ] - [ 0.0021081900000000, 0.0001609800000000, 0.0008421200000000 ] - [ 0.0062186000000000, -0.0215409400000000, 0.0018925600000000 ] - [ 0.0000842100000000, 0.0001538900000000, -0.0001941300000000 ] - [ -0.0008023900000000, 0.0009130600000000, 0.0005845500000000 ] - [ 0.0120123100000000, -0.0084589600000000, 0.0064686800000000 ] - [ 0.0077490400000000, -0.0066635700000000, -0.0036933600000000 ] - [ -0.0013326700000000, 0.0006204200000000, -0.0013031800000000 ] - [ 0.0022193700000000, 0.0059081700000000, -0.0022996700000000 ] - [ 0.0035459300000000, 0.0054608100000000, 0.0030114000000000 ] - [ -0.0015950800000000, -0.0022464600000000, 0.0006412600000000 ] - [ -0.0015908900000000, -0.0023446200000000, -0.0004465800000000 ] - [ -0.0035912300000000, -0.0026778300000000, 0.0047622500000000 ] - [ 0.0022084900000000, 0.0005442700000000, 0.0001358000000000 ] - [ -0.0005530500000000, -0.0023489900000000, -0.0054344300000000 ] - [ 0.0013102800000000, 0.0004529400000000, -0.0004399900000000 ] - [ -0.0034763700000000, 0.0114336900000000, 0.0061582600000000 ] - [ 0.0007820400000000, 0.0015940100000000, -0.0001490600000000 ] - [ -0.0007681400000000, -0.0027201000000000, -0.0005085800000000 ] - [ -0.0002776700000000, -0.0005933000000000, -0.0001309900000000 ] - [ -0.0001249900000000, 0.0001476000000000, 0.0001674600000000 ] - [ -0.0001283800000000, 0.0003470500000000, 0.0013139800000000 ] - [ 0.0003358200000000, 0.0001426000000000, -0.0009380500000000 ] - [ -0.0005716300000000, 0.0003402600000000, 0.0000787200000000 ] - [ -0.0008121500000000, 0.0011341200000000, -0.0001605100000000 ] - [ -0.0003387100000000, 0.0011343900000000, 0.0006962100000000 ] - [ 0.0004621500000000, -0.0010551900000000, -0.0001710300000000 ] - [ 0.0009675200000000, -0.0010589700000000, 0.0005519600000000 ] - [ -0.0009172800000000, 0.0005766400000000, -0.0005724500000000 ] - [ 0.0003013100000000, 0.0002087900000000, 0.0007595400000000 ] - [ -0.0002399200000000, -0.0007672000000000, -0.0007122100000000 ] - [ 0.0003917500000000, -0.0007116500000000, -0.0001372300000000 ] - [ -0.0001782400000000, 0.0007413200000000, 0.0008633800000000 ] - [ 0.0009256800000000, 0.0003857500000000, -0.0006610900000000 ] - [ -0.0007769900000000, -0.0008847200000000, 0.0007546000000000 ] - [ 0.0001089300000000, -0.0003676900000000, -0.0002227700000000 ] - [ -0.0001275700000000, 0.0011191400000000, -0.0001318400000000 ] - [ -0.0011264500000000, 0.0036373700000000, 0.0011397900000000 ] - [ 0.0011094500000000, -0.0020006500000000, 0.0008175100000000 ] - [ 0.0002503600000000, -0.0010684200000000, 0.0004722300000000 ] - [ 0.0004682000000000, 0.0004078800000000, 0.0020237500000000 ] - [ 0.0005078400000000, 0.0025001300000000, -0.0010866200000000 ] - [ -0.0009932200000000, -0.0015750000000000, -0.0008303300000000 ] - [ -0.0004919000000000, -0.0012289500000000, -0.0004727000000000 ] - [ 0.0001443000000000, -0.0002028200000000, -0.0056884100000000 ] - [ 0.0016607100000000, 0.0009682600000000, -0.0001305200000000 ] - [ -0.0003749500000000, -0.0023947600000000, 0.0009591600000000 ] - [ 0.0006064000000000, -0.0013947500000000, 0.0000601500000000 ] - [ -0.0010670200000000, -0.0005693000000000, 0.0059041200000000 ] - [ -0.0002553500000000, -0.0002509000000000, 0.0004331300000000 ] - [ -0.0004589600000000, -0.0019491700000000, -0.0008352900000000 ] - [ 0.0008960300000000, -0.0019375700000000, -0.0006844100000000 ] - [ -0.0015946900000000, 0.0019525800000000, 0.0000756900000000 ] - [ 0.0229268800000000, -0.0127472400000000, -0.0146618500000000 ] - [ 0.0025316500000000, -0.0026731300000000, 0.0002758800000000 ] - [ -0.0014023600000000, -0.0017566800000000, 0.0014478300000000 ] - [ 0.0098453100000000, 0.0009593500000000, 0.0071598500000000 ] - [ -0.0063356500000000, 0.0009504400000000, 0.0022261100000000 ] - [ -0.0021805500000000, -0.0023208500000000, -0.0009923800000000 ] - [ -0.0000901600000000, -0.0023165500000000, -0.0002882300000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0059318100000000, -0.0137361500000000, 0.0351858600000000 ] - [ 0.0022922700000000, 0.0016569400000000, 0.0042750500000000 ] - [ -0.0037928900000000, -0.0024192500000000, 0.0044235200000000 ] - [ 0.0026808600000000, -0.0010500400000000, 0.0040347700000000 ] - [ -0.0213483600000000, 0.0095620200000000, 0.0377606300000000 ] - [ 0.0016892100000000, -0.0011468600000000, 0.0102354000000000 ] - [ 0.0015994400000000, 0.0023626600000000, 0.0028779700000000 ] - [ -0.0004521600000000, 0.0013521500000000, 0.0040511600000000 ] - [ 0.0070164500000000, 0.0069125200000000, -0.0091319000000000 ] - [ -0.0028214200000000, 0.0010585800000000, -0.0055430300000000 ] - [ -0.0008877000000000, -0.0027089600000000, -0.0051809300000000 ] - [ -0.0010328900000000, 0.0004017000000000, -0.0022368900000000 ] - [ 0.0043805400000000, 0.0010012700000000, -0.0051091100000000 ] - [ -0.0077774900000000, -0.0059476200000000, -0.0122354500000000 ] - [ 0.0017131000000000, 0.0011975000000000, -0.0017739800000000 ] - [ 0.0000671300000000, 0.0025092400000000, -0.0045060800000000 ] - [ -0.0028988600000000, -0.0056554900000000, -0.0070890700000000 ] - [ 0.0004752900000000, -0.0014338300000000, -0.0017012800000000 ] - [ -0.0017460900000000, 0.0039414900000000, -0.0066814900000000 ] - [ 0.0004028500000000, 0.0000624600000000, -0.0017607100000000 ] - [ -0.0045198100000000, -0.0008585400000000, -0.0093471100000000 ] - [ 0.0069676300000000, -0.0002346700000000, -0.0060753100000000 ] - [ -0.0002696000000000, -0.0005421500000000, -0.0010746100000000 ] - [ 0.0016816100000000, -0.0005696000000000, -0.0014843200000000 ] - [ -0.0041544400000000, -0.0055816300000000, 0.0040362400000000 ] - [ 0.0046976000000000, -0.0054094400000000, 0.0012589400000000 ] - [ -0.0049137200000000, 0.0032522500000000, 0.0048320400000000 ] - [ 0.0030928200000000, 0.0058902000000000, 0.0003269900000000 ] - [ 0.0020632800000000, -0.0003970900000000, 0.0011134500000000 ] - [ -0.0209326300000000, 0.0001062600000000, 0.0493404100000000 ] - [ 0.0014523500000000, -0.0005869500000000, 0.0004904700000000 ] - [ -0.0004589800000000, -0.0006727800000000, 0.0012252700000000 ] - [ 0.0785086900000000, 0.0042435700000000, -0.1825606400000000 ] - [ -0.0011550600000000, 0.0008122900000000, -0.0015153300000000 ] - [ 0.0010329200000000, -0.0000396300000000, -0.0017004600000000 ] - [ 0.0001561900000000, 0.0004172700000000, -0.0011127500000000 ] - [ -0.0025348700000000, -0.0017677100000000, -0.0071977000000000 ] - [ -0.0018732300000000, 0.0002230600000000, -0.0026525300000000 ] - [ 0.0013305400000000, 0.0025785600000000, -0.0071844100000000 ] - [ -0.0021556200000000, -0.0008065600000000, -0.0026511700000000 ] - [ -0.0003826200000000, -0.0003581200000000, -0.0004989400000000 ] - [ 0.0075800000000000, -0.0042938000000000, 0.0039534800000000 ] - [ -0.0093886900000000, 0.0095968400000000, 0.0057833800000000 ] - [ 0.0024886600000000, 0.0014567800000000, -0.0004098600000000 ] - [ -0.0057299300000000, -0.0023533000000000, 0.0020815400000000 ] - [ 0.0091891600000000, -0.0000424900000000, 0.0043286600000000 ] - [ -0.0008090200000000, 0.0011600100000000, -0.0001092900000000 ] - [ -0.0001493500000000, 0.0001905600000000, -0.0000944700000000 ] - [ -0.0008822000000000, -0.0029216100000000, 0.0018027000000000 ] - [ 0.0011231300000000, 0.0004358300000000, -0.0004061800000000 ] - [ 0.0015706100000000, 0.0059308200000000, 0.0032384900000000 ] - [ -0.0008539700000000, 0.0001830000000000, -0.0005745600000000 ] - [ -0.0081681700000000, -0.0097672200000000, 0.0440019600000000 ] - [ -0.0007683300000000, 0.0008193800000000, -0.0004330300000000 ] - [ -0.0002521700000000, 0.0007560300000000, -0.0002183700000000 ] - [ -0.0008482300000000, 0.0004321100000000, -0.0000759900000000 ] - [ -0.0023511800000000, -0.0009090600000000, 0.0026956000000000 ] - [ -0.0007883300000000, 0.0001017500000000, 0.0034824100000000 ] - [ -0.0009626000000000, 0.0002008900000000, 0.0026894400000000 ] - [ -0.0001854900000000, 0.0013380200000000, 0.0034847400000000 ] - [ 0.0002217300000000, 0.0007254500000000, 0.0040202200000000 ] - [ 0.0016056300000000, -0.0001333000000000, 0.0040155800000000 ] - [ 0.0003310200000000, 0.0005788300000000, 0.0013925300000000 ] - [ 0.0007104800000000, -0.0001397000000000, 0.0013916400000000 ] - [ 0.0016161600000000, -0.0006195300000000, 0.0067252700000000 ] - [ -0.0002778400000000, 0.0007158700000000, 0.0024320700000000 ] - [ 0.0014648900000000, -0.0007430500000000, 0.0024430700000000 ] - [ 0.0000268300000000, -0.0001705800000000, 0.0009315200000000 ] - [ -0.0008177000000000, 0.0008289600000000, 0.0059616600000000 ] - [ -0.0018997100000000, -0.0006910200000000, 0.0024929600000000 ] - [ 0.0002097900000000, 0.0007054000000000, 0.0018689400000000 ] - [ -0.0006538000000000, -0.0002583700000000, 0.0010520900000000 ] - [ 0.0017704800000000, -0.0000113300000000, 0.0005321500000000 ] - [ -0.0068057600000000, 0.0107701500000000, 0.0094334500000000 ] - [ 0.0006412600000000, -0.0006125100000000, 0.0002428300000000 ] - [ 0.0006802700000000, -0.0020345100000000, 0.0001918400000000 ] - [ 0.0006942500000000, -0.0007865900000000, -0.0002261300000000 ] - [ -0.0067353500000000, -0.0095815100000000, 0.0070493300000000 ] - [ -0.0005369900000000, -0.0002997600000000, 0.0002558600000000 ] - [ -0.0007142800000000, 0.0012914900000000, 0.0003024200000000 ] - [ 0.0062683200000000, 0.0088057200000000, 0.0119965500000000 ] - [ -0.0013709100000000, -0.0004608800000000, 0.0000945700000000 ] - [ 0.0011405400000000, -0.0016612600000000, -0.0002446400000000 ] - [ -0.0004842000000000, -0.0011344400000000, 0.0004117800000000 ] - [ 0.0063802400000000, -0.0097579300000000, 0.0122299200000000 ] - [ -0.0026168500000000, -0.0006336200000000, 0.0003529400000000 ] - [ -0.0000421100000000, 0.0007203900000000, -0.0002657200000000 ] - [ -0.0017169800000000, 0.0003392400000000, 0.0003506700000000 ] - [ 0.0001015200000000, -0.0001080700000000, -0.0013919000000000 ] - [ -0.0087865200000000, 0.0144993200000000, -0.0081395400000000 ] - [ 0.0004067300000000, -0.0003175900000000, -0.0014045600000000 ] - [ 0.0016364100000000, -0.0014846400000000, -0.0020583600000000 ] - [ 0.0015174100000000, -0.0023005800000000, -0.0071077800000000 ] - [ -0.0141492600000000, -0.0071726900000000, -0.0070811900000000 ] - [ -0.0005395600000000, 0.0002513900000000, -0.0014654800000000 ] - [ -0.0003505600000000, 0.0009478200000000, -0.0014701700000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0050156300000000, 0.0136241900000000, -0.0333553800000000 ] - [ -0.0037497100000000, -0.0004795800000000, -0.0028573900000000 ] - [ 0.0024286800000000, 0.0036610600000000, -0.0029809100000000 ] - [ -0.0041418100000000, 0.0022343100000000, -0.0026223000000000 ] - [ 0.0212144000000000, -0.0074044100000000, -0.0358069600000000 ] - [ -0.0002590800000000, 0.0023464200000000, -0.0088672000000000 ] - [ -0.0001987800000000, -0.0012175500000000, -0.0014318400000000 ] - [ 0.0018935600000000, -0.0001736000000000, -0.0026516000000000 ] - [ -0.0083944000000000, -0.0056868700000000, 0.0077617800000000 ] - [ 0.0013964800000000, 0.0001269500000000, 0.0041788900000000 ] - [ -0.0005462200000000, 0.0038963400000000, 0.0038129400000000 ] - [ -0.0004030300000000, 0.0007744500000000, 0.0008489100000000 ] - [ -0.0029578500000000, 0.0001761900000000, 0.0037341800000000 ] - [ 0.0091764400000000, 0.0070956200000000, 0.0109001400000000 ] - [ -0.0002882800000000, -0.0000067300000000, 0.0003839300000000 ] - [ 0.0013731400000000, -0.0013289500000000, 0.0031391800000000 ] - [ 0.0014791100000000, 0.0045480200000000, 0.0085447200000000 ] - [ -0.0019151700000000, 0.0002630600000000, 0.0031066200000000 ] - [ 0.0003248400000000, -0.0051936400000000, 0.0081431200000000 ] - [ -0.0018481500000000, -0.0012545800000000, 0.0031711500000000 ] - [ 0.0060343600000000, -0.0003254900000000, 0.0107957400000000 ] - [ -0.0056212100000000, -0.0009504300000000, 0.0075359600000000 ] - [ 0.0017163200000000, -0.0006394300000000, 0.0024836500000000 ] - [ -0.0002623100000000, -0.0006138800000000, 0.0029025200000000 ] - [ 0.0027269100000000, 0.0044178900000000, -0.0055772400000000 ] - [ -0.0061453300000000, 0.0042525100000000, -0.0027343100000000 ] - [ 0.0035150600000000, -0.0044258500000000, -0.0063910600000000 ] - [ -0.0045615700000000, -0.0071286600000000, -0.0017808400000000 ] - [ -0.0007025500000000, -0.0008161400000000, -0.0025898900000000 ] - [ 0.0248563300000000, -0.0013925100000000, -0.0541543600000000 ] - [ -0.0000376300000000, -0.0005930500000000, -0.0019241100000000 ] - [ 0.0019062800000000, -0.0005095400000000, -0.0026760800000000 ] - [ -0.0798960700000000, -0.0034233000000000, 0.1841931600000000 ] - [ 0.0013173000000000, -0.0005464500000000, 0.0013092600000000 ] - [ -0.0009106800000000, 0.0003115200000000, 0.0015144800000000 ] - [ -0.0000141300000000, -0.0001507500000000, 0.0009149000000000 ] - [ 0.0024570300000000, 0.0022382700000000, 0.0070031600000000 ] - [ 0.0017409700000000, 0.0000472700000000, 0.0024651000000000 ] - [ -0.0014152800000000, -0.0024654200000000, 0.0070166500000000 ] - [ 0.0020337000000000, 0.0010814600000000, 0.0024664400000000 ] - [ 0.0015257100000000, 0.0013032500000000, 0.0006488600000000 ] - [ -0.0064787300000000, 0.0052806300000000, -0.0037833900000000 ] - [ 0.0105355500000000, -0.0086531000000000, -0.0055829600000000 ] - [ -0.0013669900000000, -0.0005000700000000, 0.0005577000000000 ] - [ 0.0046169800000000, 0.0033276700000000, -0.0019495000000000 ] - [ -0.0103156500000000, 0.0009722100000000, -0.0041836400000000 ] - [ -0.0003117800000000, -0.0002065400000000, 0.0002626800000000 ] - [ -0.0009941500000000, 0.0007583500000000, 0.0002541000000000 ] - [ 0.0020534400000000, 0.0038852000000000, -0.0020077000000000 ] - [ 0.0000103600000000, 0.0005117100000000, 0.0002351300000000 ] - [ -0.0004588900000000, -0.0049803600000000, -0.0034305900000000 ] - [ 0.0019944900000000, 0.0007712000000000, 0.0004068100000000 ] - [ 0.0068512600000000, 0.0105222900000000, -0.0433141600000000 ] - [ -0.0003611100000000, 0.0001263400000000, 0.0002623000000000 ] - [ -0.0008887400000000, 0.0001922300000000, 0.0000393700000000 ] - [ -0.0002845500000000, 0.0005191200000000, -0.0000946900000000 ] - [ 0.0021980600000000, 0.0011662600000000, -0.0024905100000000 ] - [ 0.0006550800000000, 0.0001575200000000, -0.0033135600000000 ] - [ 0.0008264700000000, 0.0000698500000000, -0.0024967500000000 ] - [ 0.0000545000000000, -0.0010629000000000, -0.0033113700000000 ] - [ -0.0001039000000000, -0.0004518700000000, -0.0038403000000000 ] - [ -0.0014647300000000, 0.0003988200000000, -0.0038450600000000 ] - [ -0.0001933400000000, -0.0003130800000000, -0.0011997400000000 ] - [ -0.0005717800000000, 0.0004094500000000, -0.0012007400000000 ] - [ -0.0017698600000000, 0.0003388900000000, -0.0069468200000000 ] - [ 0.0001454900000000, -0.0009943500000000, -0.0026510200000000 ] - [ -0.0016248300000000, 0.0004888500000000, -0.0026648800000000 ] - [ -0.0001664400000000, -0.0000936300000000, -0.0011388200000000 ] - [ 0.0009654700000000, -0.0010880900000000, -0.0061857700000000 ] - [ 0.0020594700000000, 0.0004343800000000, -0.0027114000000000 ] - [ -0.0000732400000000, -0.0009885900000000, -0.0020875200000000 ] - [ 0.0007984900000000, -0.0000106400000000, -0.0012594400000000 ] - [ -0.0006520100000000, -0.0009410800000000, -0.0003502200000000 ] - [ 0.0080450500000000, -0.0118986900000000, -0.0094068300000000 ] - [ 0.0004962700000000, -0.0003397300000000, -0.0000682200000000 ] - [ 0.0004582200000000, 0.0011072100000000, -0.0000145800000000 ] - [ -0.0018443100000000, -0.0001561300000000, 0.0004220000000000 ] - [ 0.0056923800000000, 0.0087785600000000, -0.0069834300000000 ] - [ -0.0005978400000000, -0.0006495500000000, -0.0000802500000000 ] - [ -0.0004159400000000, -0.0022621700000000, -0.0001274500000000 ] - [ -0.0052270800000000, -0.0099165400000000, -0.0123204800000000 ] - [ 0.0025332400000000, -0.0004880200000000, -0.0002470400000000 ] - [ -0.0000183700000000, 0.0007216900000000, 0.0000966300000000 ] - [ 0.0016306300000000, 0.0001913600000000, -0.0005761700000000 ] - [ -0.0076318200000000, 0.0089777900000000, -0.0125868200000000 ] - [ 0.0015082500000000, -0.0003172000000000, -0.0005075600000000 ] - [ -0.0010999200000000, -0.0016842600000000, 0.0001171500000000 ] - [ 0.0005871000000000, -0.0012920100000000, -0.0005116900000000 ] - [ -0.0002279700000000, -0.0001527000000000, 0.0016027900000000 ] - [ 0.0086106800000000, -0.0148030200000000, 0.0085228600000000 ] - [ -0.0005347100000000, 0.0000351700000000, 0.0016149600000000 ] - [ -0.0018016800000000, 0.0012257300000000, 0.0022867000000000 ] - [ -0.0012464400000000, 0.0019805500000000, 0.0074082900000000 ] - [ 0.0143482600000000, 0.0069572500000000, 0.0074359000000000 ] - [ 0.0006984700000000, -0.0005159200000000, 0.0016881600000000 ] - [ 0.0004901600000000, -0.0012180400000000, 0.0016835400000000 ]- atom: 41 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0099424000000000, -0.0061874900000000, 0.0038607200000000 ] - [ 0.0247977400000000, 0.0023153900000000, -0.0028118800000000 ] - [ -0.0037483100000000, 0.0051066200000000, -0.0008734400000000 ] - [ 0.0025085400000000, -0.0004099500000000, 0.0009536400000000 ] - [ 0.0036026500000000, -0.0001189400000000, 0.0016259400000000 ] - [ -0.0047661200000000, 0.0037887800000000, 0.0019793400000000 ] - [ 0.0198847700000000, -0.0075510700000000, 0.0053471200000000 ] - [ -0.0081130200000000, -0.0052282700000000, -0.0039129100000000 ] - [ 0.0219249000000000, -0.0008042900000000, -0.0025393300000000 ] - [ -0.0095719100000000, 0.0050179800000000, 0.0036751500000000 ] - [ 0.0017827300000000, 0.0018734400000000, -0.0024370900000000 ] - [ -0.0033066300000000, 0.0000085500000000, 0.0000858900000000 ] - [ 0.0048196900000000, 0.0015498400000000, 0.0017628500000000 ] - [ -0.0022473700000000, 0.0000938300000000, -0.0015764100000000 ] - [ 0.0241391200000000, 0.0063538900000000, 0.0001470900000000 ] - [ -0.0089691000000000, 0.0050597500000000, -0.0056183000000000 ] - [ -0.0038304700000000, 0.0000245000000000, -0.0005732200000000 ] - [ 0.0010667800000000, 0.0008545500000000, 0.0029752800000000 ] - [ -0.0016063300000000, -0.0003748200000000, 0.0007402600000000 ] - [ 0.0003454600000000, -0.0006436200000000, 0.0004782100000000 ] - [ 0.0018490300000000, -0.0021363100000000, -0.0018830500000000 ] - [ -0.0004348700000000, 0.0002615500000000, 0.0011402400000000 ] - [ 0.0029292600000000, 0.0000678100000000, 0.0012720400000000 ] - [ -0.0030121700000000, -0.0025374100000000, 0.0019864300000000 ] - [ 0.0061647700000000, -0.0033600800000000, 0.0038211700000000 ] - [ -0.0054754600000000, -0.0005429800000000, -0.0036345800000000 ] - [ 0.0008372300000000, 0.0000769600000000, -0.0004732000000000 ] - [ -0.0027404500000000, 0.0004951100000000, -0.0009870700000000 ] - [ 0.0038849500000000, 0.0008855800000000, -0.0053230100000000 ] - [ -0.0012644500000000, -0.0016402300000000, -0.0001776600000000 ] - [ 0.0045433100000000, -0.0001543400000000, -0.0011666600000000 ] - [ -0.0038038900000000, -0.0008541400000000, 0.0037338700000000 ] - [ 0.0001789200000000, 0.0015057200000000, -0.0010546200000000 ] - [ 0.0025414800000000, -0.0111631700000000, 0.0068849000000000 ] - [ 0.0138759300000000, -0.0070368300000000, -0.0100887200000000 ] - [ -0.0008540200000000, 0.0020304700000000, 0.0018182200000000 ] - [ 0.0057250900000000, 0.0042642500000000, -0.0099062500000000 ] - [ 0.0056941300000000, 0.0029239000000000, 0.0050590700000000 ] - [ -0.0008707100000000, -0.0008969200000000, -0.0005235400000000 ] - [ 0.0003200100000000, -0.0008771300000000, 0.0001499200000000 ] - [ -0.1418621300000000, 0.0202652300000000, 0.0161638200000000 ] - [ 0.0085438300000000, 0.0000453900000000, 0.0003150600000000 ] - [ -0.0004072900000000, 0.0002544100000000, -0.0001805600000000 ] - [ 0.0021753700000000, -0.0003775500000000, 0.0001704900000000 ] - [ -0.0093413100000000, -0.0004847100000000, -0.0020051600000000 ] - [ 0.0022220600000000, 0.0009884200000000, 0.0007138700000000 ] - [ -0.0093621000000000, -0.0019692800000000, 0.0012088800000000 ] - [ 0.0022260100000000, 0.0007626600000000, -0.0003371800000000 ] - [ 0.0350011200000000, 0.0010058800000000, 0.0050913400000000 ] - [ 0.0343404900000000, -0.0003188100000000, -0.0075336400000000 ] - [ 0.0003599400000000, 0.0000605800000000, 0.0001268500000000 ] - [ 0.0003710700000000, 0.0002128600000000, -0.0004809700000000 ] - [ 0.0005641400000000, 0.0034287700000000, -0.0009108700000000 ] - [ 0.0007640100000000, -0.0034268400000000, -0.0030859000000000 ] - [ 0.0005761700000000, -0.0032654000000000, 0.0025275500000000 ] - [ 0.0007745900000000, 0.0036965800000000, 0.0009497300000000 ] - [ -0.0089500800000000, -0.0028088100000000, -0.0075398500000000 ] - [ 0.0031350100000000, 0.0014857700000000, -0.0000898700000000 ] - [ -0.0009854700000000, -0.0000673500000000, 0.0004168800000000 ] - [ 0.0007383700000000, 0.0004235400000000, -0.0001793700000000 ] - [ -0.0038614000000000, 0.0042725900000000, 0.0015689800000000 ] - [ 0.0014764600000000, -0.0014915300000000, -0.0004470700000000 ] - [ -0.0050897500000000, 0.0012505600000000, -0.0009158000000000 ] - [ 0.0029018800000000, -0.0006120300000000, 0.0015360200000000 ] - [ 0.0031665000000000, -0.0012154900000000, 0.0060866900000000 ] - [ 0.0003043500000000, -0.0011735000000000, -0.0013562900000000 ] - [ -0.0003464000000000, -0.0002115500000000, 0.0000439200000000 ] - [ 0.0002226600000000, 0.0002913600000000, -0.0001291900000000 ] - [ 0.0006821600000000, 0.0004065700000000, -0.0000261100000000 ] - [ -0.0006764700000000, -0.0004504500000000, 0.0000058600000000 ] - [ -0.0000251400000000, -0.0008330600000000, 0.0011202900000000 ] - [ 0.0049051300000000, -0.0018095700000000, -0.0075607800000000 ] - [ -0.0013393000000000, -0.0003841500000000, 0.0007533600000000 ] - [ 0.0018854900000000, -0.0003951300000000, 0.0001000900000000 ] - [ -0.0000927200000000, -0.0005326800000000, 0.0000898000000000 ] - [ 0.0017143200000000, -0.0006907400000000, -0.0005710700000000 ] - [ -0.0016104400000000, -0.0005940100000000, 0.0007618800000000 ] - [ 0.0001955500000000, -0.0006676700000000, 0.0000091900000000 ] - [ -0.0020604200000000, -0.0003474900000000, -0.0013512300000000 ] - [ 0.0012422400000000, -0.0001761900000000, 0.0003770300000000 ] - [ 0.0008823300000000, 0.0001741300000000, 0.0001939200000000 ] - [ 0.0008956600000000, -0.0007690100000000, 0.0003717400000000 ] - [ 0.0003710800000000, -0.0008742800000000, -0.0005821100000000 ] - [ 0.0003766800000000, -0.0004497800000000, -0.0001340800000000 ] - [ -0.0005402600000000, -0.0001782100000000, 0.0000349000000000 ] - [ -0.0000965400000000, -0.0013268300000000, 0.0006406500000000 ] - [ -0.0010904600000000, -0.0004079400000000, -0.0010002800000000 ] - [ -0.0003690600000000, -0.0000625700000000, -0.0007192300000000 ] - [ -0.0058983800000000, 0.0003554500000000, 0.0071192100000000 ] - [ 0.0031296000000000, -0.0004501200000000, -0.0019696300000000 ] - [ -0.0011091000000000, -0.0002396400000000, 0.0006309600000000 ] - [ 0.0020225600000000, -0.0015966700000000, -0.0010535300000000 ] - [ -0.0016486400000000, -0.0010782800000000, -0.0004759900000000 ] - [ 0.0017136400000000, -0.0000892000000000, 0.0011549200000000 ] - [ -0.0054416600000000, -0.0005558500000000, -0.0056285200000000 ] - [ 0.0034652600000000, 0.0009611300000000, 0.0020439800000000 ]- atom: 41 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0085182300000000, 0.0073053700000000, -0.0024127800000000 ] - [ -0.0274028900000000, -0.0000770300000000, 0.0035130200000000 ] - [ 0.0023250500000000, -0.0038982300000000, 0.0022844400000000 ] - [ -0.0039873600000000, 0.0015791000000000, 0.0004302600000000 ] - [ -0.0021213500000000, 0.0013207700000000, -0.0002411800000000 ] - [ 0.0062086300000000, -0.0026296800000000, -0.0005754700000000 ] - [ -0.0173558100000000, 0.0074439200000000, -0.0047062000000000 ] - [ 0.0095546400000000, 0.0064771200000000, 0.0053759500000000 ] - [ -0.0228736500000000, 0.0024778700000000, 0.0017312300000000 ] - [ 0.0081530000000000, -0.0039032900000000, -0.0051460500000000 ] - [ -0.0031699300000000, -0.0006922600000000, 0.0010464300000000 ] - [ 0.0018587400000000, 0.0011809400000000, -0.0015030000000000 ] - [ -0.0034361700000000, -0.0003589100000000, -0.0031533500000000 ] - [ 0.0036974300000000, 0.0010837400000000, 0.0001608500000000 ] - [ -0.0230849700000000, -0.0057144400000000, -0.0009474800000000 ] - [ 0.0103679700000000, -0.0038227300000000, 0.0041532800000000 ] - [ 0.0024284500000000, -0.0012234400000000, 0.0019762500000000 ] - [ -0.0025577900000000, -0.0020261500000000, -0.0014920000000000 ] - [ 0.0001836200000000, -0.0008080400000000, 0.0006732000000000 ] - [ -0.0017834100000000, -0.0005403900000000, 0.0009378200000000 ] - [ -0.0004039100000000, 0.0009719800000000, 0.0033079300000000 ] - [ 0.0018520200000000, -0.0014446500000000, 0.0002661200000000 ] - [ -0.0014724800000000, -0.0012518300000000, 0.0001430400000000 ] - [ 0.0044033000000000, 0.0013380100000000, -0.0005729700000000 ] - [ -0.0075457900000000, 0.0021857700000000, -0.0052234700000000 ] - [ 0.0040349800000000, -0.0006360000000000, 0.0022630700000000 ] - [ -0.0022595500000000, -0.0012602500000000, -0.0009389200000000 ] - [ 0.0013008600000000, -0.0016795700000000, -0.0004159400000000 ] - [ -0.0024857600000000, -0.0020509900000000, 0.0039352800000000 ] - [ 0.0027057600000000, 0.0004526700000000, -0.0012224300000000 ] - [ -0.0031368800000000, -0.0010431100000000, -0.0002368900000000 ] - [ 0.0052357700000000, -0.0003174200000000, -0.0051169300000000 ] - [ -0.0000522800000000, -0.0012209900000000, 0.0008536100000000 ] - [ -0.0024339700000000, 0.0115618600000000, -0.0071747800000000 ] - [ -0.0136127600000000, 0.0072787500000000, 0.0098358000000000 ] - [ 0.0010143500000000, -0.0017857000000000, -0.0020375800000000 ] - [ -0.0058209500000000, -0.0039592000000000, 0.0095988300000000 ] - [ -0.0058622200000000, -0.0026613900000000, -0.0052880500000000 ] - [ 0.0007194400000000, 0.0011540100000000, 0.0003212900000000 ] - [ -0.0004535600000000, 0.0011565300000000, -0.0003473100000000 ] - [ 0.1427758600000000, -0.0191625500000000, -0.0156254500000000 ] - [ -0.0074130800000000, 0.0009059700000000, -0.0001656000000000 ] - [ 0.0015446600000000, 0.0006912200000000, 0.0003459700000000 ] - [ -0.0010410300000000, 0.0013284500000000, -0.0000011900000000 ] - [ 0.0082179400000000, 0.0012393300000000, 0.0021596800000000 ] - [ -0.0033617200000000, -0.0000265800000000, -0.0005490700000000 ] - [ 0.0081971900000000, 0.0030755400000000, -0.0010554300000000 ] - [ -0.0033578000000000, 0.0001736800000000, 0.0005057100000000 ] - [ -0.0332155600000000, -0.0000266100000000, -0.0050882700000000 ] - [ -0.0338766100000000, 0.0012676100000000, 0.0075490900000000 ] - [ 0.0007634800000000, 0.0008862700000000, -0.0002910200000000 ] - [ 0.0007747500000000, 0.0007412600000000, 0.0003177800000000 ] - [ -0.0017312400000000, -0.0024789300000000, 0.0007594600000000 ] - [ -0.0018902100000000, 0.0044022200000000, 0.0029434800000000 ] - [ -0.0017190300000000, 0.0041892200000000, -0.0026787400000000 ] - [ -0.0018797200000000, -0.0027451300000000, -0.0010934000000000 ] - [ 0.0089333600000000, 0.0030329800000000, 0.0074765000000000 ] - [ -0.0032770000000000, -0.0012150600000000, 0.0003174000000000 ] - [ 0.0008458600000000, 0.0003363200000000, -0.0002197000000000 ] - [ -0.0008821500000000, -0.0001560500000000, 0.0003843400000000 ] - [ 0.0039764700000000, -0.0039882400000000, -0.0013668300000000 ] - [ -0.0013386600000000, 0.0017782900000000, 0.0006659300000000 ] - [ 0.0052349100000000, -0.0009735100000000, 0.0011140500000000 ] - [ -0.0027349400000000, 0.0008673400000000, -0.0013123200000000 ] - [ -0.0033333900000000, 0.0009681000000000, -0.0063398400000000 ] - [ -0.0004138900000000, 0.0008963800000000, 0.0011822200000000 ] - [ 0.0001950800000000, -0.0000572300000000, -0.0002544900000000 ] - [ -0.0003562300000000, -0.0005558700000000, -0.0000683200000000 ] - [ -0.0005505400000000, -0.0006784100000000, -0.0001712600000000 ] - [ 0.0008280600000000, 0.0001861500000000, -0.0002163300000000 ] - [ 0.0001522200000000, 0.0005632600000000, -0.0013023100000000 ] - [ -0.0047308600000000, 0.0015380900000000, 0.0072888700000000 ] - [ 0.0024684400000000, -0.0005780900000000, -0.0006028700000000 ] - [ -0.0007498400000000, -0.0005508900000000, 0.0000617000000000 ] - [ 0.0012263500000000, -0.0004153900000000, 0.0000756000000000 ] - [ -0.0005735700000000, -0.0002600100000000, 0.0007321000000000 ] - [ 0.0004770100000000, -0.0003576500000000, -0.0005977100000000 ] - [ -0.0013318300000000, -0.0002798600000000, 0.0001556200000000 ] - [ 0.0009199800000000, -0.0005982900000000, 0.0015063600000000 ] - [ -0.0023759200000000, -0.0007745500000000, -0.0002179300000000 ] - [ 0.0002423200000000, -0.0011225000000000, -0.0003695200000000 ] - [ 0.0002558500000000, -0.0001890600000000, -0.0005468200000000 ] - [ 0.0007580500000000, -0.0000783100000000, 0.0004127500000000 ] - [ 0.0007636700000000, -0.0004966600000000, -0.0000335700000000 ] - [ -0.0006000500000000, -0.0007715800000000, -0.0002033900000000 ] - [ -0.0010334600000000, 0.0003775500000000, -0.0008106700000000 ] - [ -0.0000564300000000, -0.0005416500000000, 0.0008304700000000 ] - [ -0.0007490600000000, -0.0008796700000000, 0.0005249400000000 ] - [ 0.0058010100000000, -0.0006582300000000, -0.0068918600000000 ] - [ -0.0032666300000000, 0.0001858700000000, 0.0021553300000000 ] - [ 0.0009709800000000, -0.0000246900000000, -0.0004267600000000 ] - [ -0.0021609300000000, 0.0013234100000000, 0.0012504000000000 ] - [ 0.0017908800000000, 0.0008082500000000, 0.0006829700000000 ] - [ -0.0015770500000000, -0.0001751700000000, -0.0009597500000000 ] - [ 0.0055428300000000, 0.0003191400000000, 0.0058665500000000 ] - [ -0.0033275800000000, -0.0012282100000000, -0.0018597700000000 ]- atom: 41 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0015200700000000, 0.0031832100000000, 0.0012569000000000 ] - [ -0.0047086000000000, 0.0193133700000000, 0.0013277700000000 ] - [ 0.0008426200000000, -0.0045501700000000, 0.0019769700000000 ] - [ -0.0067623400000000, -0.0074727900000000, -0.0032782400000000 ] - [ -0.0052797700000000, -0.0073346100000000, 0.0042914600000000 ] - [ 0.0045122200000000, -0.0037476700000000, 0.0000737100000000 ] - [ -0.0003106400000000, 0.0251695700000000, -0.0030552000000000 ] - [ -0.0007948300000000, 0.0049740500000000, -0.0008159100000000 ] - [ -0.0026828800000000, 0.0267852900000000, -0.0053928700000000 ] - [ 0.0008594400000000, 0.0031379400000000, -0.0017690200000000 ] - [ 0.0026490600000000, -0.0070826800000000, 0.0037759000000000 ] - [ -0.0019582600000000, -0.0019112900000000, -0.0001638000000000 ] - [ 0.0045375200000000, -0.0069466800000000, -0.0057453100000000 ] - [ -0.0003373200000000, -0.0020856300000000, -0.0010866200000000 ] - [ -0.0005898900000000, 0.0341080500000000, 0.0034002700000000 ] - [ 0.0019399600000000, 0.0032656600000000, 0.0002543500000000 ] - [ -0.0033499300000000, 0.0031731800000000, -0.0005633600000000 ] - [ 0.0024876600000000, 0.0044596500000000, 0.0000740500000000 ] - [ -0.0002742400000000, -0.0030633800000000, 0.0007367600000000 ] - [ -0.0007749200000000, -0.0036653500000000, 0.0010654300000000 ] - [ -0.0004608600000000, -0.0032632700000000, -0.0024776000000000 ] - [ 0.0014242700000000, -0.0006865300000000, 0.0007126400000000 ] - [ 0.0030639600000000, 0.0004020400000000, 0.0036897700000000 ] - [ -0.0021032500000000, -0.0021864800000000, 0.0024676100000000 ] - [ -0.0026101000000000, 0.0063817300000000, -0.0004724500000000 ] - [ 0.0006318300000000, 0.0016613100000000, 0.0014911000000000 ] - [ -0.0007257800000000, -0.0042288500000000, -0.0008028800000000 ] - [ -0.0000212600000000, -0.0029818000000000, -0.0008589100000000 ] - [ 0.0002385300000000, -0.0027955400000000, 0.0038500500000000 ] - [ 0.0001925300000000, -0.0010953800000000, -0.0002335100000000 ] - [ -0.0015044000000000, -0.0015856800000000, -0.0033643600000000 ] - [ 0.0034792200000000, 0.0004932900000000, -0.0047299900000000 ] - [ 0.0008810600000000, -0.0003115600000000, -0.0009348500000000 ] - [ -0.0022799200000000, 0.0090026000000000, -0.0048813600000000 ] - [ -0.0117529100000000, 0.0072269400000000, 0.0090082800000000 ] - [ 0.0016714100000000, -0.0000072200000000, 0.0008744800000000 ] - [ 0.0008444000000000, -0.0048305100000000, -0.0005916400000000 ] - [ -0.0050382500000000, -0.0053396400000000, -0.0029503100000000 ] - [ 0.0009138200000000, 0.0029517100000000, -0.0003890800000000 ] - [ 0.0013395400000000, 0.0028411700000000, 0.0005753800000000 ] - [ 0.0202552500000000, -0.1438485800000000, -0.0024382000000000 ] - [ 0.0001354800000000, -0.0005111700000000, 0.0002175500000000 ] - [ 0.0003482700000000, 0.0081749100000000, -0.0000151800000000 ] - [ -0.0002853500000000, 0.0019751400000000, -0.0000046900000000 ] - [ 0.0019811300000000, 0.0340997000000000, 0.0014237800000000 ] - [ -0.0008643300000000, 0.0002914400000000, 0.0001010800000000 ] - [ 0.0002860100000000, 0.0334206200000000, -0.0019310700000000 ] - [ -0.0010746200000000, 0.0003016100000000, 0.0000734400000000 ] - [ -0.0003148900000000, -0.0084549100000000, -0.0015050800000000 ] - [ 0.0011710900000000, -0.0084627400000000, 0.0012212500000000 ] - [ 0.0003102600000000, 0.0030245200000000, 0.0005455200000000 ] - [ 0.0001488600000000, 0.0030248200000000, -0.0004438800000000 ] - [ 0.0031667300000000, 0.0017982000000000, -0.0012226000000000 ] - [ -0.0037986600000000, 0.0021936500000000, 0.0023832700000000 ] - [ -0.0035176500000000, 0.0018143700000000, -0.0020330700000000 ] - [ 0.0033425200000000, 0.0022013500000000, 0.0016092100000000 ] - [ -0.0057228100000000, -0.0108194700000000, 0.0101427200000000 ] - [ -0.0000968500000000, -0.0009816400000000, -0.0002514200000000 ] - [ 0.0014674900000000, 0.0033233600000000, -0.0001735400000000 ] - [ 0.0004079100000000, 0.0011991700000000, 0.0001445300000000 ] - [ -0.0010825200000000, 0.0032586000000000, 0.0035064900000000 ] - [ -0.0001254500000000, 0.0000612100000000, 0.0001370400000000 ] - [ -0.0034352300000000, 0.0029626900000000, -0.0053387200000000 ] - [ 0.0008495500000000, 0.0001570400000000, 0.0003912100000000 ] - [ 0.0057997300000000, -0.0031539400000000, 0.0091227000000000 ] - [ -0.0002207200000000, -0.0010245100000000, 0.0002118500000000 ] - [ -0.0016456300000000, 0.0006267100000000, -0.0018668100000000 ] - [ -0.0002386600000000, 0.0009680500000000, -0.0002749200000000 ] - [ 0.0009978300000000, 0.0013886000000000, 0.0000362800000000 ] - [ -0.0007500900000000, 0.0004478600000000, 0.0014798900000000 ] - [ -0.0007955600000000, -0.0017196500000000, -0.0005698200000000 ] - [ 0.0064299200000000, -0.0041881200000000, -0.0113930000000000 ] - [ 0.0004692900000000, -0.0012719900000000, -0.0007107300000000 ] - [ 0.0004901300000000, -0.0006439100000000, 0.0000202800000000 ] - [ 0.0006262300000000, 0.0006199100000000, 0.0000392800000000 ] - [ 0.0007828700000000, 0.0004742800000000, 0.0002673700000000 ] - [ -0.0006867600000000, 0.0011399700000000, -0.0000042400000000 ] - [ -0.0007604700000000, 0.0003534900000000, -0.0000250700000000 ] - [ -0.0004434600000000, -0.0024651200000000, 0.0008971300000000 ] - [ -0.0002673400000000, -0.0022296600000000, 0.0003187700000000 ] - [ 0.0008563800000000, -0.0009593100000000, 0.0012302200000000 ] - [ -0.0000786700000000, -0.0009600700000000, -0.0009369100000000 ] - [ 0.0005458700000000, 0.0004751900000000, -0.0001463900000000 ] - [ 0.0009660000000000, 0.0004766200000000, 0.0000362500000000 ] - [ -0.0002695300000000, 0.0006825100000000, 0.0001128500000000 ] - [ -0.0014196600000000, 0.0009041600000000, -0.0005804100000000 ] - [ -0.0005026300000000, -0.0024108800000000, 0.0004265000000000 ] - [ -0.0001563400000000, -0.0019548400000000, -0.0013713000000000 ] - [ 0.0018949500000000, -0.0000775100000000, -0.0092794200000000 ] - [ -0.0001844500000000, -0.0003610800000000, -0.0000521100000000 ] - [ -0.0004720700000000, 0.0013474900000000, 0.0012952600000000 ] - [ -0.0015961900000000, 0.0013265900000000, 0.0009150400000000 ] - [ 0.0009766600000000, 0.0017784000000000, -0.0010993700000000 ] - [ -0.0003189600000000, 0.0007790600000000, -0.0005638400000000 ] - [ 0.0009194900000000, -0.0003576600000000, 0.0094622200000000 ] - [ -0.0011690300000000, -0.0015725500000000, 0.0001172100000000 ]- atom: 41 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001136500000000, -0.0019421900000000, 0.0001416500000000 ] - [ 0.0023102700000000, -0.0173445100000000, -0.0004786200000000 ] - [ -0.0022854200000000, 0.0057202100000000, -0.0005678400000000 ] - [ 0.0054087600000000, 0.0086713100000000, 0.0047418300000000 ] - [ 0.0066401200000000, 0.0085028300000000, -0.0028321700000000 ] - [ -0.0030746800000000, 0.0049411900000000, 0.0013456400000000 ] - [ 0.0028460200000000, -0.0246579300000000, 0.0038974200000000 ] - [ 0.0022219000000000, -0.0038203300000000, 0.0021927100000000 ] - [ 0.0017869800000000, -0.0247847600000000, 0.0046971100000000 ] - [ -0.0022983600000000, -0.0019080100000000, 0.0003706000000000 ] - [ -0.0041330700000000, 0.0082604600000000, -0.0052455600000000 ] - [ 0.0005353000000000, 0.0030837000000000, -0.0012515700000000 ] - [ -0.0030693500000000, 0.0081317500000000, 0.0042697300000000 ] - [ 0.0017543600000000, 0.0032774400000000, -0.0003282800000000 ] - [ 0.0013257700000000, -0.0337852300000000, -0.0039072100000000 ] - [ -0.0004865800000000, -0.0021241400000000, -0.0016366900000000 ] - [ 0.0019058200000000, -0.0043465800000000, 0.0019750000000000 ] - [ -0.0039541300000000, -0.0056612300000000, 0.0013769800000000 ] - [ -0.0011661000000000, 0.0018829300000000, 0.0006710400000000 ] - [ -0.0006469900000000, 0.0024796500000000, 0.0003318300000000 ] - [ 0.0019001400000000, 0.0020846500000000, 0.0038791500000000 ] - [ 0.0000100200000000, -0.0004805700000000, 0.0006998900000000 ] - [ -0.0016376100000000, -0.0016026100000000, -0.0022947000000000 ] - [ 0.0035377000000000, 0.0009981900000000, -0.0010571800000000 ] - [ 0.0011765300000000, -0.0075527500000000, -0.0009838500000000 ] - [ -0.0020571300000000, -0.0028459000000000, -0.0028938000000000 ] - [ -0.0007073600000000, 0.0030426200000000, -0.0005986100000000 ] - [ -0.0014089100000000, 0.0017981400000000, -0.0005454400000000 ] - [ 0.0011977100000000, 0.0016314600000000, -0.0052617700000000 ] - [ 0.0012349000000000, -0.0000757500000000, -0.0011768800000000 ] - [ 0.0029241900000000, 0.0003752100000000, 0.0019460100000000 ] - [ -0.0020501600000000, -0.0016911800000000, 0.0033185300000000 ] - [ -0.0007253200000000, 0.0005575500000000, 0.0007266400000000 ] - [ 0.0024362500000000, -0.0087320100000000, 0.0046928600000000 ] - [ 0.0119319500000000, -0.0070221900000000, -0.0092419900000000 ] - [ -0.0015346000000000, 0.0002912100000000, -0.0010823800000000 ] - [ -0.0010322300000000, 0.0050813800000000, 0.0004223800000000 ] - [ 0.0048689300000000, 0.0055525300000000, 0.0027311400000000 ] - [ -0.0010488100000000, -0.0026731800000000, 0.0001786600000000 ] - [ -0.0014964700000000, -0.0025842100000000, -0.0007910600000000 ] - [ -0.0191525800000000, 0.1450494300000000, 0.0022346500000000 ] - [ 0.0009959100000000, 0.0014610500000000, -0.0000447100000000 ] - [ 0.0007850900000000, -0.0072313800000000, 0.0001838900000000 ] - [ 0.0014205300000000, -0.0010247800000000, 0.0001697300000000 ] - [ -0.0030646000000000, -0.0324929000000000, -0.0012483900000000 ] - [ -0.0002754100000000, 0.0006468900000000, 0.0000631200000000 ] - [ -0.0014388300000000, -0.0331728800000000, 0.0021220200000000 ] - [ -0.0000596600000000, 0.0006570300000000, 0.0000932800000000 ] - [ 0.0012711900000000, 0.0094042300000000, 0.0013075400000000 ] - [ 0.0001385400000000, 0.0093962800000000, -0.0014189000000000 ] - [ 0.0008384300000000, -0.0020749500000000, -0.0007103600000000 ] - [ 0.0009743200000000, -0.0020745500000000, 0.0002790000000000 ] - [ -0.0042880300000000, -0.0008605800000000, 0.0010570100000000 ] - [ 0.0026431700000000, -0.0012497700000000, -0.0025434000000000 ] - [ 0.0023899200000000, -0.0008442700000000, 0.0018600100000000 ] - [ -0.0044867600000000, -0.0012419300000000, -0.0017710900000000 ] - [ 0.0056420800000000, 0.0109930300000000, -0.0101435700000000 ] - [ -0.0000429200000000, 0.0012472500000000, 0.0004415400000000 ] - [ -0.0016143600000000, -0.0030573900000000, 0.0003903400000000 ] - [ -0.0005470100000000, -0.0009310800000000, 0.0000575700000000 ] - [ 0.0012497500000000, -0.0030144700000000, -0.0033005500000000 ] - [ 0.0002712300000000, 0.0001943400000000, 0.0000611600000000 ] - [ 0.0035800000000000, -0.0026998300000000, 0.0055726700000000 ] - [ -0.0007179300000000, 0.0001192500000000, -0.0001969300000000 ] - [ -0.0058923200000000, 0.0028554000000000, -0.0092371900000000 ] - [ 0.0000865400000000, 0.0007466100000000, -0.0004188900000000 ] - [ 0.0015179900000000, -0.0008892500000000, 0.0016864700000000 ] - [ 0.0000934700000000, -0.0012301600000000, 0.0000744000000000 ] - [ -0.0008561100000000, -0.0016571700000000, -0.0002367800000000 ] - [ 0.0008795400000000, -0.0007230500000000, -0.0016620400000000 ] - [ 0.0009431400000000, 0.0014566200000000, 0.0003597100000000 ] - [ -0.0063345900000000, 0.0039383900000000, 0.0112745800000000 ] - [ 0.0006627600000000, 0.0003126700000000, 0.0008722100000000 ] - [ 0.0006455700000000, -0.0003076500000000, 0.0001454300000000 ] - [ 0.0005087800000000, -0.0015639400000000, 0.0001286000000000 ] - [ 0.0003518100000000, -0.0014210300000000, -0.0001007600000000 ] - [ -0.0004502900000000, -0.0020932000000000, 0.0001695400000000 ] - [ -0.0003726400000000, -0.0013057700000000, 0.0001906900000000 ] - [ -0.0006944400000000, 0.0015244800000000, -0.0007283600000000 ] - [ -0.0008654600000000, 0.0012792000000000, -0.0001526200000000 ] - [ 0.0002759800000000, 0.0000036900000000, -0.0013862500000000 ] - [ 0.0012176600000000, 0.0000029400000000, 0.0007654300000000 ] - [ 0.0005925200000000, -0.0014214800000000, -0.0000170700000000 ] - [ 0.0001697200000000, -0.0014200600000000, -0.0002000300000000 ] - [ -0.0008628200000000, -0.0016351100000000, -0.0002793600000000 ] - [ 0.0002847900000000, -0.0018588800000000, 0.0004193200000000 ] - [ -0.0006361000000000, 0.0014666400000000, -0.0005871200000000 ] - [ -0.0009733400000000, 0.0010156700000000, 0.0012001200000000 ] - [ -0.0020282700000000, -0.0002213800000000, 0.0094551400000000 ] - [ 0.0000340300000000, 0.0000884900000000, 0.0002646600000000 ] - [ 0.0003317600000000, -0.0016077200000000, -0.0011089300000000 ] - [ 0.0014583000000000, -0.0015924900000000, -0.0007159100000000 ] - [ -0.0008407500000000, -0.0020487900000000, 0.0012837600000000 ] - [ 0.0004577100000000, -0.0010497700000000, 0.0007626200000000 ] - [ -0.0007803300000000, 0.0001248800000000, -0.0092585900000000 ] - [ 0.0013093700000000, 0.0013040800000000, 0.0000904000000000 ]- atom: 41 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0019282400000000, 0.0025277900000000, 0.0058719800000000 ] - [ -0.0000174500000000, 0.0028441100000000, 0.0133140800000000 ] - [ 0.0002992000000000, -0.0016854500000000, 0.0025835500000000 ] - [ -0.0011991400000000, 0.0004029600000000, 0.0032579400000000 ] - [ 0.0017042000000000, 0.0009100500000000, 0.0028213400000000 ] - [ -0.0018604800000000, 0.0024183600000000, 0.0023798700000000 ] - [ 0.0012324200000000, 0.0026494000000000, 0.0130834000000000 ] - [ -0.0008763100000000, -0.0009294700000000, 0.0048269800000000 ] - [ 0.0007429300000000, 0.0029487800000000, 0.0184471300000000 ] - [ -0.0004000300000000, -0.0011351300000000, 0.0017131900000000 ] - [ -0.0024133300000000, 0.0028992700000000, 0.0024248400000000 ] - [ 0.0005146500000000, 0.0019534300000000, 0.0000100100000000 ] - [ 0.0033088900000000, -0.0003757000000000, 0.0027302800000000 ] - [ -0.0004398300000000, -0.0002433700000000, 0.0000403600000000 ] - [ -0.0017355800000000, -0.0076526500000000, 0.0230802000000000 ] - [ 0.0002280900000000, 0.0021666000000000, 0.0003978800000000 ] - [ -0.0027247200000000, 0.0007525000000000, -0.0023590800000000 ] - [ 0.0047749200000000, -0.0019828500000000, -0.0125198200000000 ] - [ -0.0009982600000000, -0.0008216000000000, -0.0003036800000000 ] - [ -0.0006621000000000, -0.0000399900000000, -0.0009450900000000 ] - [ -0.0000321100000000, -0.0027728500000000, -0.0036909000000000 ] - [ 0.0012449100000000, -0.0018616000000000, -0.0007790900000000 ] - [ -0.0016101000000000, 0.0002426200000000, -0.0046506500000000 ] - [ 0.0044185800000000, 0.0020594000000000, -0.0023125000000000 ] - [ 0.0023576700000000, 0.0006091700000000, -0.0117577300000000 ] - [ -0.0011226100000000, -0.0011166500000000, -0.0045853200000000 ] - [ -0.0003661800000000, -0.0009680300000000, -0.0020788600000000 ] - [ -0.0007926300000000, -0.0003708900000000, -0.0017968300000000 ] - [ 0.0004007100000000, 0.0026610000000000, -0.0066631700000000 ] - [ 0.0005026300000000, -0.0002628400000000, -0.0018914100000000 ] - [ -0.0040375600000000, -0.0032637700000000, -0.0064888600000000 ] - [ 0.0027752600000000, -0.0009103500000000, -0.0039742100000000 ] - [ -0.0002052500000000, -0.0003636800000000, -0.0006727600000000 ] - [ 0.0018116300000000, -0.0062478800000000, 0.0037819900000000 ] - [ -0.0066112200000000, 0.0039112700000000, 0.0055969700000000 ] - [ 0.0013690100000000, 0.0015208600000000, -0.0005794800000000 ] - [ -0.0083588900000000, -0.0027923400000000, 0.0041455900000000 ] - [ 0.0041795300000000, 0.0025226900000000, 0.0019187200000000 ] - [ 0.0000598600000000, 0.0006632600000000, -0.0002712500000000 ] - [ 0.0000161500000000, -0.0004227300000000, -0.0002843200000000 ] - [ 0.0165711000000000, -0.0018734300000000, -0.1185547500000000 ] - [ 0.0008065900000000, 0.0006052000000000, -0.0009265900000000 ] - [ 0.0003045900000000, 0.0003712500000000, -0.0004786600000000 ] - [ 0.0006530400000000, 0.0003879200000000, -0.0006849300000000 ] - [ -0.0017071100000000, -0.0016370000000000, -0.0077272800000000 ] - [ -0.0001448700000000, 0.0004640900000000, -0.0007020300000000 ] - [ 0.0015224400000000, 0.0018719300000000, -0.0077324400000000 ] - [ -0.0012012700000000, 0.0004958800000000, -0.0007019300000000 ] - [ 0.0080405300000000, -0.0008375600000000, -0.0067898100000000 ] - [ -0.0044594000000000, 0.0018740600000000, -0.0067902000000000 ] - [ 0.0009662300000000, 0.0008360800000000, -0.0007469100000000 ] - [ 0.0003601300000000, -0.0001549900000000, -0.0007459200000000 ] - [ 0.0020420500000000, 0.0024252000000000, -0.0030731100000000 ] - [ 0.0004539200000000, -0.0012106900000000, -0.0037890700000000 ] - [ -0.0013995800000000, 0.0016124300000000, -0.0030506200000000 ] - [ -0.0035957000000000, -0.0019968100000000, -0.0038177800000000 ] - [ -0.0125554400000000, 0.0065144800000000, 0.0441924200000000 ] - [ 0.0002507100000000, 0.0000671200000000, -0.0002534400000000 ] - [ -0.0004143700000000, -0.0002990300000000, -0.0000324800000000 ] - [ -0.0002177000000000, 0.0000841900000000, 0.0001093600000000 ] - [ -0.0024993400000000, 0.0049624200000000, 0.0020087500000000 ] - [ 0.0000694900000000, 0.0003480400000000, -0.0002242700000000 ] - [ 0.0040797400000000, -0.0052549300000000, 0.0034456800000000 ] - [ -0.0006120700000000, -0.0002187500000000, -0.0003961300000000 ] - [ 0.0041841700000000, -0.0013214900000000, 0.0069129500000000 ] - [ -0.0026465600000000, 0.0018125000000000, -0.0004345300000000 ] - [ 0.0005138200000000, -0.0006889200000000, 0.0001109000000000 ] - [ -0.0002152400000000, -0.0010428800000000, 0.0000656100000000 ] - [ 0.0007472600000000, 0.0006031300000000, 0.0000534200000000 ] - [ -0.0003085200000000, 0.0002586600000000, -0.0000020300000000 ] - [ 0.0008174500000000, -0.0003454700000000, 0.0003348500000000 ] - [ -0.0061107500000000, 0.0008994400000000, 0.0093235800000000 ] - [ 0.0012499000000000, 0.0003255000000000, 0.0054163600000000 ] - [ 0.0005855600000000, -0.0004119500000000, 0.0008280500000000 ] - [ 0.0005750600000000, -0.0004349000000000, 0.0014085700000000 ] - [ -0.0000849000000000, -0.0006588200000000, 0.0010315400000000 ] - [ -0.0012468500000000, -0.0003868700000000, 0.0013038100000000 ] - [ -0.0004951400000000, -0.0003661800000000, 0.0005915500000000 ] - [ 0.0008623900000000, -0.0012916700000000, 0.0047464800000000 ] - [ -0.0008675700000000, -0.0007115700000000, 0.0012790500000000 ] - [ 0.0001118700000000, -0.0013239200000000, 0.0022346900000000 ] - [ 0.0002802900000000, 0.0008400800000000, 0.0022408800000000 ] - [ 0.0006208300000000, -0.0003580300000000, 0.0009810700000000 ] - [ 0.0010622800000000, -0.0005428800000000, 0.0009793000000000 ] - [ -0.0004479600000000, -0.0002787100000000, 0.0005529400000000 ] - [ 0.0001554000000000, -0.0009727500000000, 0.0011262900000000 ] - [ -0.0014760900000000, 0.0000302300000000, 0.0023588100000000 ] - [ -0.0011985000000000, -0.0017694600000000, 0.0037674900000000 ] - [ -0.0000853600000000, -0.0060765100000000, 0.0124412300000000 ] - [ -0.0003318200000000, -0.0006481100000000, 0.0005341900000000 ] - [ 0.0002096900000000, 0.0006099000000000, -0.0000854200000000 ] - [ -0.0006788000000000, 0.0004679000000000, 0.0005351000000000 ] - [ -0.0007707000000000, -0.0011767000000000, -0.0000630000000000 ] - [ 0.0005710600000000, -0.0002752600000000, 0.0005966900000000 ] - [ 0.0000106700000000, 0.0054450000000000, 0.0121951600000000 ] - [ -0.0003123400000000, -0.0000901400000000, 0.0002752400000000 ]- atom: 41 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0033526000000000, -0.0013240000000000, -0.0044952500000000 ] - [ -0.0017161800000000, -0.0013352200000000, -0.0120785700000000 ] - [ -0.0017270900000000, 0.0028567200000000, -0.0011601000000000 ] - [ -0.0002620300000000, 0.0007813600000000, -0.0018627000000000 ] - [ -0.0002372100000000, 0.0002894500000000, -0.0014309200000000 ] - [ 0.0032778100000000, -0.0012296500000000, -0.0009595500000000 ] - [ 0.0005644200000000, -0.0017656200000000, -0.0117858700000000 ] - [ 0.0023134900000000, 0.0020883500000000, -0.0034423900000000 ] - [ -0.0014412800000000, -0.0009606500000000, -0.0190822200000000 ] - [ -0.0010337200000000, 0.0023489400000000, -0.0030913800000000 ] - [ 0.0009909300000000, -0.0017053900000000, -0.0037931400000000 ] - [ -0.0019361500000000, -0.0007651000000000, -0.0014185700000000 ] - [ -0.0018965800000000, 0.0015663300000000, -0.0040949400000000 ] - [ 0.0018663200000000, 0.0014251100000000, -0.0014457300000000 ] - [ 0.0023708100000000, 0.0079096000000000, -0.0235782000000000 ] - [ 0.0012236300000000, -0.0010144000000000, -0.0017783600000000 ] - [ 0.0012847800000000, -0.0019368900000000, 0.0037803700000000 ] - [ -0.0061361000000000, 0.0008138600000000, 0.0138730900000000 ] - [ -0.0004365300000000, -0.0003620000000000, 0.0017155500000000 ] - [ -0.0007667000000000, -0.0011377600000000, 0.0023605900000000 ] - [ 0.0014486400000000, 0.0015791600000000, 0.0051077200000000 ] - [ 0.0001950600000000, 0.0006685300000000, 0.0021935300000000 ] - [ 0.0030125000000000, -0.0014125600000000, 0.0060562200000000 ] - [ -0.0029678800000000, -0.0032348600000000, 0.0037243000000000 ] - [ -0.0038265700000000, -0.0017964500000000, 0.0103470800000000 ] - [ -0.0002935700000000, -0.0000662100000000, 0.0031632600000000 ] - [ -0.0010728500000000, -0.0002083200000000, 0.0006552600000000 ] - [ -0.0006346000000000, -0.0008117700000000, 0.0003750300000000 ] - [ 0.0010527800000000, -0.0038748700000000, 0.0052236100000000 ] - [ 0.0009257100000000, -0.0009238800000000, 0.0004720100000000 ] - [ 0.0054955800000000, 0.0021095800000000, 0.0050765700000000 ] - [ -0.0013399700000000, -0.0002651300000000, 0.0025348500000000 ] - [ 0.0003426300000000, 0.0006334200000000, 0.0004744100000000 ] - [ -0.0016644000000000, 0.0064572300000000, -0.0039550300000000 ] - [ 0.0066841700000000, -0.0036085900000000, -0.0057693600000000 ] - [ -0.0012363500000000, -0.0012576600000000, 0.0003878200000000 ] - [ 0.0083046600000000, 0.0030782000000000, -0.0043669600000000 ] - [ -0.0043261600000000, -0.0022464300000000, -0.0021128300000000 ] - [ -0.0001988700000000, -0.0003981800000000, 0.0000769700000000 ] - [ -0.0001529900000000, 0.0006851400000000, 0.0000872500000000 ] - [ -0.0152193900000000, 0.0027991300000000, 0.1168663600000000 ] - [ 0.0003257900000000, 0.0003429800000000, 0.0010977300000000 ] - [ 0.0008311500000000, 0.0005699400000000, 0.0006403000000000 ] - [ 0.0004814300000000, 0.0005623900000000, 0.0008476100000000 ] - [ 0.0005571400000000, 0.0024152000000000, 0.0078831700000000 ] - [ -0.0009876600000000, 0.0004841700000000, 0.0008656000000000 ] - [ -0.0026422600000000, -0.0008001900000000, 0.0078781200000000 ] - [ 0.0000617800000000, 0.0004578600000000, 0.0008658300000000 ] - [ -0.0070396700000000, 0.0018024000000000, 0.0065676100000000 ] - [ 0.0057171900000000, -0.0009384000000000, 0.0065669200000000 ] - [ 0.0001676300000000, 0.0001131800000000, 0.0005767700000000 ] - [ 0.0007778800000000, 0.0011011300000000, 0.0005778000000000 ] - [ -0.0031638900000000, -0.0014674100000000, 0.0028767600000000 ] - [ -0.0015894100000000, 0.0021700900000000, 0.0036440000000000 ] - [ 0.0002711400000000, -0.0006675400000000, 0.0028993600000000 ] - [ 0.0024336600000000, 0.0029299100000000, 0.0036151400000000 ] - [ 0.0121660800000000, -0.0060814400000000, -0.0431233100000000 ] - [ -0.0003932500000000, 0.0001980900000000, 0.0004420700000000 ] - [ 0.0002733400000000, 0.0005615300000000, 0.0002255400000000 ] - [ 0.0000762800000000, 0.0001827900000000, 0.0000907000000000 ] - [ 0.0026176500000000, -0.0046787800000000, -0.0018014300000000 ] - [ 0.0000692900000000, -0.0000861900000000, 0.0004172400000000 ] - [ -0.0039143700000000, 0.0054798900000000, -0.0032234300000000 ] - [ 0.0007405900000000, 0.0004911500000000, 0.0005853500000000 ] - [ -0.0043407600000000, 0.0010535500000000, -0.0071187100000000 ] - [ 0.0024767600000000, -0.0020694600000000, 0.0002133900000000 ] - [ -0.0006541000000000, 0.0004148500000000, -0.0003192800000000 ] - [ 0.0000714300000000, 0.0007737700000000, -0.0002708100000000 ] - [ -0.0006022800000000, -0.0008681300000000, -0.0002580100000000 ] - [ 0.0004531300000000, -0.0005229100000000, -0.0002087200000000 ] - [ -0.0006663200000000, 0.0000817800000000, -0.0005477600000000 ] - [ 0.0062585000000000, -0.0011764500000000, -0.0095156000000000 ] - [ -0.0001063500000000, -0.0012573400000000, -0.0052410700000000 ] - [ 0.0005471500000000, -0.0005371700000000, -0.0006628900000000 ] - [ 0.0005606500000000, -0.0005245300000000, -0.0012436200000000 ] - [ 0.0012180400000000, -0.0002907500000000, -0.0008630000000000 ] - [ 0.0001128000000000, -0.0005604800000000, -0.0011369900000000 ] - [ -0.0006415300000000, -0.0005820100000000, -0.0004235400000000 ] - [ -0.0019950400000000, 0.0003339000000000, -0.0045761200000000 ] - [ -0.0002725000000000, -0.0002400300000000, -0.0011131100000000 ] - [ 0.0010306300000000, 0.0003785500000000, -0.0024032800000000 ] - [ 0.0008437000000000, -0.0017762900000000, -0.0023973400000000 ] - [ 0.0005202900000000, -0.0005945900000000, -0.0011432200000000 ] - [ 0.0000673700000000, -0.0004137500000000, -0.0011450500000000 ] - [ -0.0006861400000000, -0.0006709200000000, -0.0007175100000000 ] - [ -0.0012959800000000, 0.0000270400000000, -0.0012913900000000 ] - [ 0.0003548000000000, -0.0009833100000000, -0.0025263500000000 ] - [ 0.0000456800000000, 0.0008019900000000, -0.0039210700000000 ] - [ -0.0000814900000000, 0.0059030900000000, -0.0123754200000000 ] - [ 0.0001882000000000, 0.0003831300000000, -0.0003266700000000 ] - [ -0.0003522100000000, -0.0008855700000000, 0.0002974400000000 ] - [ 0.0005311700000000, -0.0007295300000000, -0.0003273700000000 ] - [ 0.0009154600000000, 0.0009115600000000, 0.0002781700000000 ] - [ -0.0004271500000000, 0.0000084700000000, -0.0003913300000000 ] - [ 0.0001601900000000, -0.0057977800000000, -0.0121223800000000 ] - [ 0.0004502200000000, -0.0001819100000000, -0.0000666100000000 ]