# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/3f723c33-6dcb-4c29-b043-fcfda85330e4/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 BaHf(PO4)2 / C2/m (12) / materials id 545548](https://mdr.nims.go.jp/datasets/f7f75598-2e90-4331-bced-d2f10953ab27) ## 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: "C2/m" number: 12 Hall_symbol: "-C 2y"primitive_matrix:- [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ]- [ -0.500000000000000, 0.500000000000000, 0.000000000000000 ]- [ 0.000000000000000, 0.000000000000000, 1.000000000000000 ]supercell_matrix:- [ 1, 0, 0 ]- [ 0, 2, 0 ]- [ 0, 0, 2 ]primitive_cell: lattice: - [ 4.295819450000000, -2.650464230000000, 0.017644180000000 ] # a - [ 4.295819450000000, 2.650464230000000, 0.017644180000000 ] # b - [ -0.461250670000000, 0.000000000000000, 7.827971490000000 ] # c points: - symbol: O # 1 coordinates: [ 0.224476650000000, 0.699857530000000, 0.688277470000000 ] mass: 15.999400 - symbol: O # 2 coordinates: [ 0.775843480000000, 0.775843480000000, 0.413529190000000 ] mass: 15.999400 - symbol: O # 3 coordinates: [ 0.686828500000000, 0.686828500000000, 0.095486890000000 ] mass: 15.999400 - symbol: O # 4 coordinates: [ 0.313171500000000, 0.313171500000000, 0.904513110000000 ] mass: 15.999400 - symbol: O # 5 coordinates: [ 0.224156520000000, 0.224156520000000, 0.586470810000000 ] mass: 15.999400 - symbol: O # 6 coordinates: [ 0.699857530000000, 0.224476650000000, 0.688277470000000 ] mass: 15.999400 - symbol: O # 7 coordinates: [ 0.300142470000000, 0.775523350000000, 0.311722530000000 ] mass: 15.999400 - symbol: O # 8 coordinates: [ 0.775523350000000, 0.300142470000000, 0.311722530000000 ] mass: 15.999400 - symbol: P # 9 coordinates: [ 0.638724750000000, 0.638724750000000, 0.278959340000000 ] mass: 30.973762 - symbol: P # 10 coordinates: [ 0.361275250000000, 0.361275250000000, 0.721040660000000 ] mass: 30.973762 - symbol: Hf # 11 coordinates: [ 0.000000000000000, 0.000000000000000, 0.500000000000000 ] mass: 178.490000 - symbol: Ba # 12 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 137.327000 reciprocal_lattice: # without 2pi - [ 0.116364066817083, -0.188646198028487, 0.006856566078692 ] # a* - [ 0.116364066817083, 0.188646198028487, 0.006856566078692 ] # b* - [ -0.000524567199325, 0.000000000000000, 0.127716106823462 ] # c*unit_cell: lattice: - [ 8.591638900000000, 0.000000000000000, 0.035288360000000 ] # a - [ 0.000000000000000, 5.300928460000000, 0.000000000000000 ] # b - [ -0.461250670000000, 0.000000000000000, 7.827971490000000 ] # c points: - symbol: O # 1 coordinates: [ 0.962167090000000, 0.737690440000000, 0.688277470000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 2 coordinates: [ 0.275843480000000, 0.500000000000000, 0.413529190000000 ] mass: 15.999400 reduced_to: 2 - symbol: O # 3 coordinates: [ 0.186828500000000, 0.500000000000000, 0.095486890000000 ] mass: 15.999400 reduced_to: 3 - symbol: O # 4 coordinates: [ 0.813171500000000, 0.500000000000000, 0.904513110000000 ] mass: 15.999400 reduced_to: 4 - symbol: O # 5 coordinates: [ 0.724156520000000, 0.500000000000000, 0.586470810000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 6 coordinates: [ 0.962167090000000, 0.262309560000000, 0.688277470000000 ] mass: 15.999400 reduced_to: 6 - symbol: O # 7 coordinates: [ 0.037832910000000, 0.737690440000000, 0.311722530000000 ] mass: 15.999400 reduced_to: 7 - symbol: O # 8 coordinates: [ 0.037832910000000, 0.262309560000000, 0.311722530000000 ] mass: 15.999400 reduced_to: 8 - symbol: O # 9 coordinates: [ 0.462167090000000, 0.237690440000000, 0.688277470000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 10 coordinates: [ 0.775843480000000, 0.000000000000000, 0.413529190000000 ] mass: 15.999400 reduced_to: 2 - symbol: O # 11 coordinates: [ 0.686828500000000, 0.000000000000000, 0.095486890000000 ] mass: 15.999400 reduced_to: 3 - symbol: O # 12 coordinates: [ 0.313171500000000, 0.000000000000000, 0.904513110000000 ] mass: 15.999400 reduced_to: 4 - symbol: O # 13 coordinates: [ 0.224156520000000, 0.000000000000000, 0.586470810000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 14 coordinates: [ 0.462167090000000, 0.762309560000000, 0.688277470000000 ] mass: 15.999400 reduced_to: 6 - symbol: O # 15 coordinates: [ 0.537832910000000, 0.237690440000000, 0.311722530000000 ] mass: 15.999400 reduced_to: 7 - symbol: O # 16 coordinates: [ 0.537832910000000, 0.762309560000000, 0.311722530000000 ] mass: 15.999400 reduced_to: 8 - symbol: P # 17 coordinates: [ 0.138724750000000, 0.500000000000000, 0.278959340000000 ] mass: 30.973762 reduced_to: 17 - symbol: P # 18 coordinates: [ 0.861275250000000, 0.500000000000000, 0.721040660000000 ] mass: 30.973762 reduced_to: 18 - symbol: P # 19 coordinates: [ 0.638724750000000, 0.000000000000000, 0.278959340000000 ] mass: 30.973762 reduced_to: 17 - symbol: P # 20 coordinates: [ 0.361275250000000, 0.000000000000000, 0.721040660000000 ] mass: 30.973762 reduced_to: 18 - symbol: Hf # 21 coordinates: [ 0.000000000000000, 0.000000000000000, 0.500000000000000 ] mass: 178.490000 reduced_to: 21 - symbol: Hf # 22 coordinates: [ 0.500000000000000, 0.500000000000000, 0.500000000000000 ] mass: 178.490000 reduced_to: 21 - symbol: Ba # 23 coordinates: [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ] mass: 137.327000 reduced_to: 23 - symbol: Ba # 24 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 137.327000 reduced_to: 23supercell: lattice: - [ 8.591638900000000, 0.000000000000000, 0.035288360000000 ] # a - [ 0.000000000000000, 10.601856919999999, 0.000000000000000 ] # b - [ -0.922501340000000, 0.000000000000000, 15.655942980000001 ] # c points: - symbol: O # 1 coordinates: [ 0.962167090000000, 0.368845220000000, 0.344138735000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 2 coordinates: [ 0.962167090000000, 0.868845220000000, 0.344138735000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 3 coordinates: [ 0.962167090000000, 0.368845220000000, 0.844138735000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 4 coordinates: [ 0.962167090000000, 0.868845220000000, 0.844138735000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 5 coordinates: [ 0.275843480000000, 0.250000000000000, 0.206764595000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 6 coordinates: [ 0.275843480000000, 0.750000000000000, 0.206764595000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 7 coordinates: [ 0.275843480000000, 0.250000000000000, 0.706764595000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 8 coordinates: [ 0.275843480000000, 0.750000000000000, 0.706764595000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 9 coordinates: [ 0.186828500000000, 0.250000000000000, 0.047743445000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 10 coordinates: [ 0.186828500000000, 0.750000000000000, 0.047743445000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 11 coordinates: [ 0.186828500000000, 0.250000000000000, 0.547743445000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 12 coordinates: [ 0.186828500000000, 0.750000000000000, 0.547743445000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 13 coordinates: [ 0.813171500000000, 0.250000000000000, 0.452256555000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 14 coordinates: [ 0.813171500000000, 0.750000000000000, 0.452256555000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 15 coordinates: [ 0.813171500000000, 0.250000000000000, 0.952256555000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 16 coordinates: [ 0.813171500000000, 0.750000000000000, 0.952256555000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 17 coordinates: [ 0.724156520000000, 0.250000000000000, 0.293235405000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 18 coordinates: [ 0.724156520000000, 0.750000000000000, 0.293235405000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 19 coordinates: [ 0.724156520000000, 0.250000000000000, 0.793235405000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 20 coordinates: [ 0.724156520000000, 0.750000000000000, 0.793235405000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 21 coordinates: [ 0.962167090000000, 0.131154780000000, 0.344138735000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 22 coordinates: [ 0.962167090000000, 0.631154780000000, 0.344138735000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 23 coordinates: [ 0.962167090000000, 0.131154780000000, 0.844138735000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 24 coordinates: [ 0.962167090000000, 0.631154780000000, 0.844138735000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 25 coordinates: [ 0.037832910000000, 0.368845220000000, 0.155861265000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 26 coordinates: [ 0.037832910000000, 0.868845220000000, 0.155861265000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 27 coordinates: [ 0.037832910000000, 0.368845220000000, 0.655861265000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 28 coordinates: [ 0.037832910000000, 0.868845220000000, 0.655861265000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 29 coordinates: [ 0.037832910000000, 0.131154780000000, 0.155861265000000 ] mass: 15.999400 reduced_to: 29 - symbol: O # 30 coordinates: [ 0.037832910000000, 0.631154780000000, 0.155861265000000 ] mass: 15.999400 reduced_to: 29 - symbol: O # 31 coordinates: [ 0.037832910000000, 0.131154780000000, 0.655861265000000 ] mass: 15.999400 reduced_to: 29 - symbol: O # 32 coordinates: [ 0.037832910000000, 0.631154780000000, 0.655861265000000 ] mass: 15.999400 reduced_to: 29 - symbol: O # 33 coordinates: [ 0.462167090000000, 0.118845220000000, 0.344138735000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 34 coordinates: [ 0.462167090000000, 0.618845220000000, 0.344138735000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 35 coordinates: [ 0.462167090000000, 0.118845220000000, 0.844138735000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 36 coordinates: [ 0.462167090000000, 0.618845220000000, 0.844138735000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 37 coordinates: [ 0.775843480000000, 0.000000000000000, 0.206764595000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 38 coordinates: [ 0.775843480000000, 0.500000000000000, 0.206764595000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 39 coordinates: [ 0.775843480000000, 0.000000000000000, 0.706764595000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 40 coordinates: [ 0.775843480000000, 0.500000000000000, 0.706764595000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 41 coordinates: [ 0.686828500000000, 0.000000000000000, 0.047743445000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 42 coordinates: [ 0.686828500000000, 0.500000000000000, 0.047743445000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 43 coordinates: [ 0.686828500000000, 0.000000000000000, 0.547743445000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 44 coordinates: [ 0.686828500000000, 0.500000000000000, 0.547743445000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 45 coordinates: [ 0.313171500000000, 0.000000000000000, 0.452256555000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 46 coordinates: [ 0.313171500000000, 0.500000000000000, 0.452256555000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 47 coordinates: [ 0.313171500000000, 0.000000000000000, 0.952256555000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 48 coordinates: [ 0.313171500000000, 0.500000000000000, 0.952256555000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 49 coordinates: [ 0.224156520000000, 0.000000000000000, 0.293235405000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 50 coordinates: [ 0.224156520000000, 0.500000000000000, 0.293235405000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 51 coordinates: [ 0.224156520000000, 0.000000000000000, 0.793235405000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 52 coordinates: [ 0.224156520000000, 0.500000000000000, 0.793235405000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 53 coordinates: [ 0.462167090000000, 0.381154780000000, 0.344138735000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 54 coordinates: [ 0.462167090000000, 0.881154780000000, 0.344138735000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 55 coordinates: [ 0.462167090000000, 0.381154780000000, 0.844138735000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 56 coordinates: [ 0.462167090000000, 0.881154780000000, 0.844138735000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 57 coordinates: [ 0.537832910000000, 0.118845220000000, 0.155861265000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 58 coordinates: [ 0.537832910000000, 0.618845220000000, 0.155861265000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 59 coordinates: [ 0.537832910000000, 0.118845220000000, 0.655861265000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 60 coordinates: [ 0.537832910000000, 0.618845220000000, 0.655861265000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 61 coordinates: [ 0.537832910000000, 0.381154780000000, 0.155861265000000 ] mass: 15.999400 reduced_to: 29 - symbol: O # 62 coordinates: [ 0.537832910000000, 0.881154780000000, 0.155861265000000 ] mass: 15.999400 reduced_to: 29 - symbol: O # 63 coordinates: [ 0.537832910000000, 0.381154780000000, 0.655861265000000 ] mass: 15.999400 reduced_to: 29 - symbol: O # 64 coordinates: [ 0.537832910000000, 0.881154780000000, 0.655861265000000 ] mass: 15.999400 reduced_to: 29 - symbol: P # 65 coordinates: [ 0.138724750000000, 0.250000000000000, 0.139479670000000 ] mass: 30.973762 reduced_to: 65 - symbol: P # 66 coordinates: [ 0.138724750000000, 0.750000000000000, 0.139479670000000 ] mass: 30.973762 reduced_to: 65 - symbol: P # 67 coordinates: [ 0.138724750000000, 0.250000000000000, 0.639479670000000 ] mass: 30.973762 reduced_to: 65 - symbol: P # 68 coordinates: [ 0.138724750000000, 0.750000000000000, 0.639479670000000 ] mass: 30.973762 reduced_to: 65 - symbol: P # 69 coordinates: [ 0.861275250000000, 0.250000000000000, 0.360520330000000 ] mass: 30.973762 reduced_to: 69 - symbol: P # 70 coordinates: [ 0.861275250000000, 0.750000000000000, 0.360520330000000 ] mass: 30.973762 reduced_to: 69 - symbol: P # 71 coordinates: [ 0.861275250000000, 0.250000000000000, 0.860520330000000 ] mass: 30.973762 reduced_to: 69 - symbol: P # 72 coordinates: [ 0.861275250000000, 0.750000000000000, 0.860520330000000 ] mass: 30.973762 reduced_to: 69 - symbol: P # 73 coordinates: [ 0.638724750000000, 0.000000000000000, 0.139479670000000 ] mass: 30.973762 reduced_to: 65 - symbol: P # 74 coordinates: [ 0.638724750000000, 0.500000000000000, 0.139479670000000 ] mass: 30.973762 reduced_to: 65 - symbol: P # 75 coordinates: [ 0.638724750000000, 0.000000000000000, 0.639479670000000 ] mass: 30.973762 reduced_to: 65 - symbol: P # 76 coordinates: [ 0.638724750000000, 0.500000000000000, 0.639479670000000 ] mass: 30.973762 reduced_to: 65 - symbol: P # 77 coordinates: [ 0.361275250000000, 0.000000000000000, 0.360520330000000 ] mass: 30.973762 reduced_to: 69 - symbol: P # 78 coordinates: [ 0.361275250000000, 0.500000000000000, 0.360520330000000 ] mass: 30.973762 reduced_to: 69 - symbol: P # 79 coordinates: [ 0.361275250000000, 0.000000000000000, 0.860520330000000 ] mass: 30.973762 reduced_to: 69 - symbol: P # 80 coordinates: [ 0.361275250000000, 0.500000000000000, 0.860520330000000 ] mass: 30.973762 reduced_to: 69 - symbol: Hf # 81 coordinates: [ 0.000000000000000, 0.000000000000000, 0.250000000000000 ] mass: 178.490000 reduced_to: 81 - symbol: Hf # 82 coordinates: [ 0.000000000000000, 0.500000000000000, 0.250000000000000 ] mass: 178.490000 reduced_to: 81 - symbol: Hf # 83 coordinates: [ 0.000000000000000, 0.000000000000000, 0.750000000000000 ] mass: 178.490000 reduced_to: 81 - symbol: Hf # 84 coordinates: [ 0.000000000000000, 0.500000000000000, 0.750000000000000 ] mass: 178.490000 reduced_to: 81 - symbol: Hf # 85 coordinates: [ 0.500000000000000, 0.250000000000000, 0.250000000000000 ] mass: 178.490000 reduced_to: 81 - symbol: Hf # 86 coordinates: [ 0.500000000000000, 0.750000000000000, 0.250000000000000 ] mass: 178.490000 reduced_to: 81 - symbol: Hf # 87 coordinates: [ 0.500000000000000, 0.250000000000000, 0.750000000000000 ] mass: 178.490000 reduced_to: 81 - symbol: Hf # 88 coordinates: [ 0.500000000000000, 0.750000000000000, 0.750000000000000 ] mass: 178.490000 reduced_to: 81 - symbol: Ba # 89 coordinates: [ 0.500000000000000, 0.250000000000000, 0.000000000000000 ] mass: 137.327000 reduced_to: 89 - symbol: Ba # 90 coordinates: [ 0.500000000000000, 0.750000000000000, 0.000000000000000 ] mass: 137.327000 reduced_to: 89 - symbol: Ba # 91 coordinates: [ 0.500000000000000, 0.250000000000000, 0.500000000000000 ] mass: 137.327000 reduced_to: 89 - symbol: Ba # 92 coordinates: [ 0.500000000000000, 0.750000000000000, 0.500000000000000 ] mass: 137.327000 reduced_to: 89 - symbol: Ba # 93 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 137.327000 reduced_to: 89 - symbol: Ba # 94 coordinates: [ 0.000000000000000, 0.500000000000000, 0.000000000000000 ] mass: 137.327000 reduced_to: 89 - symbol: Ba # 95 coordinates: [ 0.000000000000000, 0.000000000000000, 0.500000000000000 ] mass: 137.327000 reduced_to: 89 - symbol: Ba # 96 coordinates: [ 0.000000000000000, 0.500000000000000, 0.500000000000000 ] mass: 137.327000 reduced_to: 89born_effective_charge:- # 1 (O) - [ -1.542387950000000, -0.937883360000000, 0.438940100000000 ] - [ -0.895374670000000, -2.758202500000000, 0.835367220000000 ] - [ 0.273292930000000, 0.523283450000000, -1.921793420000000 ]- # 2 (O) - [ -3.360072670000000, -0.000000000000000, -1.288634520000000 ] - [ -0.000000000000000, -1.101663500000000, -0.000000000000000 ] - [ -1.119055570000000, -0.000000000000000, -1.657077850000000 ]- # 3 (O) - [ -1.591496390000000, -0.000000000000000, 0.174685190000000 ] - [ -0.000000000000000, -1.378682450000000, 0.000000000000000 ] - [ 0.413991600000000, 0.000000000000000, -2.060274250000000 ]- # 4 (O) - [ -1.591496390000000, -0.000000000000000, 0.174685190000000 ] - [ -0.000000000000000, -1.378682450000000, 0.000000000000000 ] - [ 0.413991600000000, 0.000000000000000, -2.060274250000000 ]- # 5 (O) - [ -3.360072670000000, -0.000000000000000, -1.288634520000000 ] - [ -0.000000000000000, -1.101663500000000, -0.000000000000000 ] - [ -1.119055570000000, -0.000000000000000, -1.657077850000000 ]- # 6 (O) - [ -1.542387950000000, 0.937883360000000, 0.438940100000000 ] - [ 0.895374670000000, -2.758202500000000, -0.835367220000000 ] - [ 0.273292930000000, -0.523283450000000, -1.921793420000000 ]- # 7 (O) - [ -1.542387950000000, 0.937883360000000, 0.438940100000000 ] - [ 0.895374670000000, -2.758202500000000, -0.835367220000000 ] - [ 0.273292930000000, -0.523283450000000, -1.921793420000000 ]- # 8 (O) - [ -1.542387950000000, -0.937883360000000, 0.438940100000000 ] - [ -0.895374670000000, -2.758202500000000, 0.835367220000000 ] - [ 0.273292930000000, 0.523283450000000, -1.921793420000000 ]- # 9 (P) - [ 3.914952580000000, -0.000000000000000, 0.527036880000000 ] - [ -0.000000000000000, 4.148563300000000, 0.000000000000000 ] - [ -0.160782540000000, 0.000000000000000, 3.504295690000000 ]- # 10 (P) - [ 3.914952580000000, -0.000000000000000, 0.527036880000000 ] - [ -0.000000000000000, 4.148563300000000, 0.000000000000000 ] - [ -0.160782540000000, 0.000000000000000, 3.504295690000000 ]- # 11 (Hf) - [ 5.717516390000000, 0.000000000000000, -0.708124710000000 ] - [ 0.000000000000000, 5.172525060000000, -0.000000000000000 ] - [ 0.762266670000000, 0.000000000000000, 4.957788790000000 ]- # 12 (Ba) - [ 2.525268370000000, -0.000000000000000, 0.126189220000000 ] - [ 0.000000000000000, 2.523850240000000, 0.000000000000000 ] - [ -0.123745320000000, -0.000000000000000, 3.155497710000000 ]dielectric_constant: - [ 3.017128470000000, 0.000000000000000, 0.052083960000000 ] - [ 0.000000000000000, 2.996609160000000, 0.000000000000000 ] - [ 0.052085710000000, 0.000000000000000, 3.005609200000000 ]displacements:- atom: 1 displacement: [ 0.0099999156518758, 0.0000000000000000, 0.0000410725622434 ] forces: - [ -0.1627930300000000, -0.1585447200000000, 0.0418190500000000 ] - [ 0.0005149100000000, 0.0018268400000000, -0.0001859000000000 ] - [ 0.0001347000000000, -0.0003947800000000, -0.0004310500000000 ] - [ 0.0002934300000000, 0.0000366100000000, -0.0004939000000000 ] - [ 0.0063533100000000, -0.0010382400000000, 0.0023343000000000 ] - [ 0.0014114200000000, 0.0009915200000000, 0.0009583500000000 ] - [ 0.0003390000000000, -0.0001025300000000, 0.0008963100000000 ] - [ 0.0004255700000000, 0.0001364300000000, 0.0009027400000000 ] - [ 0.0009061300000000, -0.0008946600000000, -0.0007537000000000 ] - [ 0.0009009300000000, 0.0010101400000000, -0.0012327200000000 ] - [ -0.0000223500000000, -0.0006735900000000, 0.0003371500000000 ] - [ -0.0000459500000000, 0.0004779100000000, -0.0000221600000000 ] - [ 0.0056238700000000, 0.0183581800000000, -0.0145004900000000 ] - [ -0.0006736500000000, 0.0009260500000000, 0.0009862000000000 ] - [ -0.0001637800000000, -0.0001229500000000, 0.0000254800000000 ] - [ -0.0000853700000000, 0.0001234300000000, -0.0000402900000000 ] - [ 0.0351087200000000, 0.0246979600000000, 0.0135793700000000 ] - [ -0.0010021100000000, 0.0007218800000000, -0.0010968100000000 ] - [ -0.0004737100000000, -0.0000637700000000, -0.0010868100000000 ] - [ -0.0004223500000000, 0.0000668500000000, -0.0010259200000000 ] - [ -0.0086767100000000, -0.0027554900000000, 0.0014372200000000 ] - [ -0.0038669400000000, 0.0052473500000000, 0.0026689300000000 ] - [ 0.0002449900000000, 0.0000887100000000, -0.0004501600000000 ] - [ 0.0001716600000000, 0.0002813200000000, -0.0004909700000000 ] - [ 0.0014183700000000, -0.0030943700000000, -0.0060104600000000 ] - [ -0.0008336900000000, 0.0018310700000000, 0.0009358800000000 ] - [ -0.0003411600000000, -0.0007109100000000, 0.0002385600000000 ] - [ -0.0004510700000000, 0.0002636600000000, 0.0001267900000000 ] - [ -0.0005047900000000, -0.0011077000000000, 0.0007950100000000 ] - [ 0.0032482600000000, 0.0072087300000000, -0.0053497700000000 ] - [ -0.0006593200000000, 0.0000472100000000, -0.0001204600000000 ] - [ -0.0000656100000000, 0.0005907700000000, 0.0007756100000000 ] - [ 0.0030418200000000, 0.0018457800000000, -0.0012140700000000 ] - [ 0.0030478800000000, 0.0012791000000000, 0.0002602700000000 ] - [ 0.0003522200000000, -0.0000767800000000, -0.0003696700000000 ] - [ 0.0003523700000000, -0.0001129200000000, -0.0004082500000000 ] - [ -0.0004968200000000, 0.0010599400000000, 0.0012629400000000 ] - [ -0.0026191000000000, -0.0026860000000000, 0.0029775800000000 ] - [ -0.0001109500000000, 0.0000955900000000, 0.0002515700000000 ] - [ -0.0000940400000000, -0.0001025700000000, 0.0005117100000000 ] - [ -0.0002293500000000, 0.0004129900000000, 0.0002953900000000 ] - [ -0.0003343500000000, -0.0002882200000000, 0.0003178500000000 ] - [ 0.0005823200000000, 0.0010168800000000, -0.0013004100000000 ] - [ -0.0000259000000000, -0.0007774000000000, -0.0006900700000000 ] - [ 0.0002835100000000, 0.0005689600000000, 0.0001367400000000 ] - [ 0.0023759700000000, 0.0001170900000000, 0.0018580800000000 ] - [ 0.0001375700000000, 0.0000870500000000, 0.0000381600000000 ] - [ 0.0002749300000000, -0.0000825400000000, -0.0000557500000000 ] - [ 0.0003562900000000, 0.0006039200000000, -0.0001793600000000 ] - [ 0.0141111900000000, 0.0076169400000000, -0.0011267100000000 ] - [ -0.0003620300000000, 0.0000480200000000, -0.0009798400000000 ] - [ -0.0002190700000000, -0.0000506600000000, -0.0009051100000000 ] - [ 0.0050828200000000, -0.0041056900000000, -0.0014278800000000 ] - [ 0.0001035500000000, 0.0016432900000000, 0.0003072700000000 ] - [ 0.0004248900000000, -0.0000649000000000, -0.0004222800000000 ] - [ 0.0002803100000000, 0.0002551800000000, -0.0003524100000000 ] - [ 0.0001897800000000, 0.0014450500000000, 0.0021445600000000 ] - [ 0.0002014600000000, -0.0008253000000000, -0.0001926200000000 ] - [ -0.0000317400000000, -0.0002834800000000, -0.0004401800000000 ] - [ -0.0000345300000000, -0.0004138700000000, 0.0000502200000000 ] - [ -0.0000595900000000, -0.0020612900000000, 0.0020699600000000 ] - [ 0.0002369900000000, 0.0014549300000000, -0.0001495400000000 ] - [ -0.0002004300000000, -0.0000813900000000, -0.0001286800000000 ] - [ 0.0001651600000000, 0.0008052000000000, -0.0002931800000000 ] - [ -0.0039447500000000, 0.0053292200000000, 0.0009833200000000 ] - [ -0.0021512800000000, -0.0044940600000000, 0.0001645700000000 ] - [ 0.0004577500000000, 0.0006233000000000, -0.0001133900000000 ] - [ -0.0002360300000000, -0.0007866800000000, -0.0003629000000000 ] - [ 0.1216838000000000, 0.1025528500000000, -0.0267086600000000 ] - [ 0.0025014300000000, -0.0037587000000000, -0.0009846000000000 ] - [ 0.0004360700000000, 0.0002674700000000, 0.0005107900000000 ] - [ 0.0002984800000000, -0.0002834600000000, 0.0005319200000000 ] - [ 0.0001118200000000, -0.0027332100000000, -0.0013985500000000 ] - [ 0.0000944200000000, 0.0022014400000000, -0.0006177000000000 ] - [ -0.0007215000000000, -0.0004817900000000, 0.0015707300000000 ] - [ -0.0002696100000000, 0.0004970100000000, 0.0004851200000000 ] - [ -0.0013211700000000, -0.0028487000000000, -0.0001525400000000 ] - [ -0.0123336900000000, 0.0019942600000000, -0.0059635200000000 ] - [ 0.0000848800000000, -0.0001599900000000, 0.0004329800000000 ] - [ -0.0001378400000000, 0.0001607600000000, 0.0004921200000000 ] - [ 0.0018305500000000, -0.0022384900000000, -0.0020902400000000 ] - [ 0.0122637900000000, 0.0009988200000000, -0.0005078900000000 ] - [ 0.0003647800000000, -0.0003312800000000, 0.0007672600000000 ] - [ 0.0002809900000000, 0.0004001100000000, 0.0002017700000000 ] - [ -0.0208289000000000, 0.0023592800000000, -0.0063113100000000 ] - [ -0.0013984000000000, -0.0020774800000000, 0.0007296100000000 ] - [ -0.0002015800000000, 0.0002958300000000, 0.0008029200000000 ] - [ -0.0001396900000000, -0.0002996300000000, 0.0004648600000000 ] - [ -0.0003492800000000, 0.0001769200000000, -0.0005070300000000 ] - [ -0.0003730600000000, -0.0001685200000000, 0.0001767100000000 ] - [ -0.0045998200000000, 0.0010370600000000, 0.0012343100000000 ] - [ -0.0003294600000000, -0.0008592900000000, -0.0006261700000000 ] - [ 0.0003270700000000, -0.0001764300000000, 0.0003012900000000 ] - [ 0.0003900300000000, 0.0000933500000000, 0.0014616700000000 ] - [ 0.0017486500000000, -0.0022878000000000, 0.0005443700000000 ] - [ 0.0036646800000000, 0.0012260100000000, -0.0028834800000000 ]- atom: 1 displacement: [ -0.0099999156518758, 0.0000000000000000, -0.0000410725622434 ] forces: - [ 0.1658179400000000, 0.1638642900000000, -0.0432187300000000 ] - [ -0.0000036300000000, -0.0022023600000000, -0.0002309300000000 ] - [ 0.0003724900000000, 0.0000115000000000, 0.0000176500000000 ] - [ 0.0002127400000000, -0.0004220000000000, 0.0000799600000000 ] - [ -0.0058966200000000, 0.0010328400000000, -0.0007421400000000 ] - [ -0.0009320800000000, -0.0009935800000000, 0.0006530600000000 ] - [ 0.0001522700000000, 0.0001019300000000, 0.0007241800000000 ] - [ 0.0000634500000000, -0.0001372200000000, 0.0007143100000000 ] - [ -0.0008962800000000, 0.0008970100000000, 0.0003081200000000 ] - [ -0.0008923700000000, -0.0010134200000000, 0.0007929900000000 ] - [ 0.0000379000000000, 0.0006721200000000, -0.0007725200000000 ] - [ 0.0000606800000000, -0.0004776100000000, -0.0004207400000000 ] - [ -0.0056201800000000, -0.0185916000000000, 0.0152169700000000 ] - [ 0.0006632000000000, -0.0009262500000000, -0.0005482000000000 ] - [ 0.0001493700000000, 0.0001227200000000, 0.0004171400000000 ] - [ 0.0000699300000000, -0.0001242900000000, 0.0004863100000000 ] - [ -0.0361869700000000, -0.0252667200000000, -0.0155478800000000 ] - [ 0.0005208100000000, -0.0007209800000000, -0.0005181200000000 ] - [ -0.0000141500000000, 0.0000644400000000, -0.0005288400000000 ] - [ -0.0000654200000000, -0.0000659800000000, -0.0005898600000000 ] - [ 0.0092234700000000, 0.0033382900000000, -0.0018496300000000 ] - [ 0.0043562400000000, -0.0048995500000000, -0.0030875900000000 ] - [ 0.0002618400000000, 0.0002948300000000, 0.0000358100000000 ] - [ 0.0003349100000000, 0.0001042000000000, 0.0000769200000000 ] - [ -0.0019521700000000, 0.0027188200000000, 0.0064215600000000 ] - [ 0.0003242700000000, -0.0022150900000000, -0.0005151900000000 ] - [ -0.0001661000000000, 0.0003292700000000, 0.0001787300000000 ] - [ -0.0000544100000000, -0.0006492400000000, 0.0002871500000000 ] - [ -0.0000115000000000, 0.0014836900000000, -0.0003728200000000 ] - [ -0.0037496700000000, -0.0068609300000000, 0.0058045400000000 ] - [ 0.0001519600000000, 0.0003340900000000, 0.0005378400000000 ] - [ -0.0004401800000000, -0.0002073700000000, -0.0003640100000000 ] - [ -0.0025489000000000, -0.0022512600000000, 0.0008128500000000 ] - [ -0.0025306800000000, -0.0016477200000000, -0.0006793700000000 ] - [ 0.0001535300000000, -0.0003085300000000, -0.0000449900000000 ] - [ 0.0001539000000000, -0.0002719900000000, -0.0000054900000000 ] - [ 0.0010049000000000, -0.0010670900000000, 0.0003626700000000 ] - [ 0.0031392100000000, 0.0026933600000000, -0.0013495500000000 ] - [ 0.0006021200000000, -0.0000972500000000, 0.0013663200000000 ] - [ 0.0005857000000000, 0.0001027200000000, 0.0011070900000000 ] - [ 0.0002497300000000, -0.0004165600000000, -0.0007392300000000 ] - [ 0.0003570300000000, 0.0002932300000000, -0.0007561200000000 ] - [ -0.0005651900000000, -0.0010185600000000, 0.0008580200000000 ] - [ 0.0000435500000000, 0.0007787900000000, 0.0002482900000000 ] - [ -0.0003041200000000, -0.0005749900000000, 0.0003075800000000 ] - [ -0.0023855500000000, -0.0001042900000000, -0.0014082700000000 ] - [ -0.0001539400000000, -0.0000889900000000, 0.0004058300000000 ] - [ -0.0002908900000000, 0.0000832800000000, 0.0004989000000000 ] - [ -0.0008656300000000, -0.0006066100000000, -0.0014440900000000 ] - [ -0.0145029500000000, -0.0075007700000000, -0.0005517900000000 ] - [ -0.0001275200000000, -0.0000481300000000, -0.0006374700000000 ] - [ -0.0002706500000000, 0.0000522000000000, -0.0007112100000000 ] - [ -0.0045820900000000, 0.0045047300000000, 0.0010207200000000 ] - [ 0.0004025000000000, -0.0012646600000000, -0.0007253600000000 ] - [ 0.0000808800000000, 0.0004509600000000, 0.0000079000000000 ] - [ 0.0002267400000000, 0.0001279600000000, -0.0000626900000000 ] - [ -0.0006919100000000, -0.0018504200000000, -0.0017497400000000 ] - [ -0.0007009600000000, 0.0004414600000000, 0.0006073800000000 ] - [ -0.0004732400000000, -0.0001027500000000, 0.0008563200000000 ] - [ -0.0004716400000000, 0.0000308900000000, 0.0003664600000000 ] - [ -0.0004338000000000, 0.0024696400000000, -0.0016707200000000 ] - [ -0.0007418900000000, -0.0010761300000000, 0.0005647700000000 ] - [ -0.0003047400000000, 0.0004666900000000, 0.0005453500000000 ] - [ -0.0006712300000000, -0.0004217600000000, 0.0007088600000000 ] - [ 0.0036198000000000, -0.0053348400000000, -0.0011649600000000 ] - [ 0.0018229300000000, 0.0045211600000000, -0.0003596700000000 ] - [ -0.0008150000000000, -0.0006240200000000, -0.0000947600000000 ] - [ -0.0001228900000000, 0.0007881500000000, 0.0001625700000000 ] - [ -0.1233395500000000, -0.1076198800000000, 0.0279936000000000 ] - [ -0.0021685000000000, 0.0037669700000000, 0.0011905000000000 ] - [ -0.0000756200000000, -0.0002679500000000, -0.0003113200000000 ] - [ 0.0000636300000000, 0.0002839500000000, -0.0003348700000000 ] - [ -0.0004910700000000, 0.0027577800000000, 0.0012002600000000 ] - [ -0.0004960300000000, -0.0022219100000000, 0.0004019000000000 ] - [ 0.0003589000000000, 0.0004843900000000, -0.0017707500000000 ] - [ -0.0000929600000000, -0.0004992700000000, -0.0006876000000000 ] - [ 0.0017033700000000, 0.0028713900000000, 0.0003572700000000 ] - [ 0.0126865300000000, -0.0020182800000000, 0.0061617000000000 ] - [ 0.0002780300000000, 0.0001618400000000, -0.0002341700000000 ] - [ 0.0005008100000000, -0.0001627600000000, -0.0002937200000000 ] - [ -0.0018125900000000, 0.0022087800000000, 0.0020294900000000 ] - [ -0.0124398300000000, -0.0010651500000000, 0.0005462000000000 ] - [ -0.0003646500000000, 0.0003345400000000, -0.0007682600000000 ] - [ -0.0002816000000000, -0.0004037700000000, -0.0002032600000000 ] - [ 0.0209296400000000, -0.0023518900000000, 0.0063551900000000 ] - [ 0.0013949600000000, 0.0020757100000000, -0.0007199300000000 ] - [ 0.0001999400000000, -0.0002956300000000, -0.0008059700000000 ] - [ 0.0001396600000000, 0.0002996400000000, -0.0004674800000000 ] - [ 0.0003494000000000, -0.0001787600000000, 0.0005122100000000 ] - [ 0.0003747800000000, 0.0001699500000000, -0.0001780500000000 ] - [ 0.0045939800000000, -0.0010321800000000, -0.0012457600000000 ] - [ 0.0003269300000000, 0.0008561400000000, 0.0006248100000000 ] - [ -0.0003289500000000, 0.0001780200000000, -0.0003043200000000 ] - [ -0.0003898000000000, -0.0000972700000000, -0.0014676200000000 ] - [ -0.0017475700000000, 0.0022909700000000, -0.0005283400000000 ] - [ -0.0036506800000000, -0.0012491200000000, 0.0028498400000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.1573873700000000, -0.3134764300000000, 0.0858437700000000 ] - [ 0.0022720500000000, 0.0118891700000000, -0.0019410100000000 ] - [ 0.0000515900000000, -0.0007050700000000, -0.0005451400000000 ] - [ 0.0004853800000000, 0.0004712000000000, -0.0007687100000000 ] - [ 0.0043578300000000, -0.0017689500000000, 0.0035728400000000 ] - [ 0.0020323800000000, 0.0023445000000000, 0.0013873600000000 ] - [ -0.0001072300000000, -0.0002926700000000, -0.0000431700000000 ] - [ 0.0004618000000000, 0.0003531700000000, 0.0009175200000000 ] - [ 0.0006443700000000, -0.0015292700000000, 0.0001547600000000 ] - [ 0.0016284700000000, 0.0025226800000000, -0.0019944200000000 ] - [ 0.0001647400000000, -0.0011082500000000, -0.0018891300000000 ] - [ 0.0000513400000000, 0.0011697000000000, 0.0000828300000000 ] - [ 0.0175288500000000, 0.0069293400000000, -0.0142854100000000 ] - [ -0.0013632200000000, 0.0035328000000000, 0.0021469500000000 ] - [ -0.0000700100000000, -0.0004042700000000, -0.0000988000000000 ] - [ 0.0000408400000000, 0.0004134900000000, -0.0004042300000000 ] - [ 0.0318607500000000, 0.0068638700000000, 0.0099242500000000 ] - [ -0.0024866100000000, 0.0029474900000000, -0.0013439600000000 ] - [ -0.0006483800000000, -0.0001736500000000, -0.0012723600000000 ] - [ -0.0004935900000000, 0.0001738300000000, -0.0012036000000000 ] - [ 0.0032350300000000, 0.0547943100000000, 0.0063166000000000 ] - [ -0.0048596500000000, 0.0247404700000000, 0.0051710300000000 ] - [ 0.0003581600000000, -0.0001175600000000, -0.0006287300000000 ] - [ 0.0001674300000000, 0.0003253900000000, -0.0006475900000000 ] - [ 0.0026580900000000, -0.0090305200000000, -0.0039387100000000 ] - [ -0.0022886800000000, 0.0075622300000000, 0.0040880000000000 ] - [ 0.0002687800000000, -0.0019464900000000, -0.0000536500000000 ] - [ -0.0007065900000000, 0.0010855000000000, -0.0003063400000000 ] - [ -0.0015555500000000, -0.0022200100000000, 0.0036715300000000 ] - [ 0.0068531300000000, 0.0179668600000000, -0.0135554600000000 ] - [ -0.0003892900000000, 0.0001296600000000, -0.0010909000000000 ] - [ 0.0001385600000000, 0.0013362500000000, 0.0016318500000000 ] - [ 0.0017278900000000, 0.0011943100000000, -0.0004516700000000 ] - [ 0.0022985500000000, 0.0011797800000000, 0.0007695200000000 ] - [ 0.0003349800000000, -0.0000373000000000, -0.0005634100000000 ] - [ 0.0003704100000000, -0.0000400200000000, -0.0006667500000000 ] - [ 0.0027615400000000, 0.0017384900000000, 0.0037404900000000 ] - [ -0.0118274400000000, -0.0003332400000000, -0.0083089600000000 ] - [ -0.0001735900000000, 0.0002051000000000, -0.0000228100000000 ] - [ -0.0001719400000000, -0.0002233000000000, 0.0006408500000000 ] - [ 0.0002049700000000, 0.0005672400000000, 0.0009946100000000 ] - [ -0.0014583600000000, -0.0007708500000000, -0.0023866700000000 ] - [ 0.0009032900000000, 0.0013010500000000, -0.0017638800000000 ] - [ -0.0006423500000000, -0.0011136100000000, -0.0000833300000000 ] - [ -0.0008076700000000, 0.0013419400000000, -0.0001017300000000 ] - [ 0.0021585500000000, -0.0010979600000000, 0.0024591600000000 ] - [ 0.0000556700000000, 0.0002369900000000, -0.0000415700000000 ] - [ 0.0003108400000000, -0.0002236000000000, -0.0003957500000000 ] - [ -0.0028358600000000, 0.0021727700000000, -0.0006951100000000 ] - [ 0.0180286600000000, 0.0025655500000000, 0.0019212600000000 ] - [ -0.0005737700000000, 0.0001299500000000, -0.0011860600000000 ] - [ -0.0002486200000000, -0.0001391200000000, -0.0010618300000000 ] - [ 0.0045701000000000, -0.0055628400000000, -0.0010408000000000 ] - [ -0.0012052400000000, 0.0036587600000000, 0.0011097100000000 ] - [ 0.0005138700000000, -0.0004047200000000, -0.0007765800000000 ] - [ 0.0001911400000000, 0.0004809300000000, -0.0004530200000000 ] - [ 0.0003686800000000, 0.0008887800000000, 0.0022394200000000 ] - [ -0.0018980600000000, 0.0008763400000000, -0.0002173800000000 ] - [ -0.0000261100000000, -0.0003232900000000, -0.0008532600000000 ] - [ -0.0001613200000000, -0.0003263300000000, 0.0001919100000000 ] - [ -0.0025292900000000, -0.0046359300000000, 0.0020916900000000 ] - [ 0.0010137900000000, 0.0027998800000000, -0.0003096600000000 ] - [ -0.0005254100000000, -0.0006000700000000, -0.0000869800000000 ] - [ 0.0003646300000000, 0.0012715200000000, -0.0006063800000000 ] - [ -0.0029510800000000, 0.0081749100000000, -0.0028881000000000 ] - [ -0.0046751900000000, -0.0121604400000000, 0.0001595400000000 ] - [ -0.0006028600000000, 0.0017151700000000, 0.0023882800000000 ] - [ -0.0003026100000000, -0.0021584300000000, -0.0004728100000000 ] - [ 0.0944184100000000, 0.1816805200000000, -0.0330773300000000 ] - [ 0.0064493200000000, -0.0176027500000000, -0.0027864600000000 ] - [ 0.0004593900000000, 0.0007271100000000, 0.0007950400000000 ] - [ 0.0001137700000000, -0.0007303300000000, 0.0010454700000000 ] - [ -0.0026616700000000, -0.0033016900000000, -0.0031708500000000 ] - [ 0.0090336000000000, 0.0037427800000000, 0.0052791400000000 ] - [ -0.0009627700000000, -0.0009203800000000, 0.0023267600000000 ] - [ 0.0002914200000000, 0.0009472200000000, -0.0001359800000000 ] - [ 0.0025263700000000, -0.0046848000000000, 0.0007501900000000 ] - [ -0.0116469200000000, 0.0040436800000000, -0.0077442400000000 ] - [ 0.0002771600000000, -0.0004021100000000, 0.0006534500000000 ] - [ -0.0002473700000000, 0.0003996000000000, 0.0010406600000000 ] - [ 0.0050300600000000, -0.0192527700000000, -0.0177529800000000 ] - [ 0.0071117500000000, 0.0356825300000000, -0.0225341700000000 ] - [ 0.0003854600000000, -0.0008282400000000, 0.0017005300000000 ] - [ 0.0002696100000000, 0.0010461500000000, 0.0001615500000000 ] - [ -0.0151381500000000, 0.0057369300000000, -0.0071335400000000 ] - [ 0.0000657700000000, -0.0054473500000000, -0.0004826100000000 ] - [ 0.0002900600000000, 0.0007672100000000, 0.0015814100000000 ] - [ -0.0001458900000000, -0.0007731200000000, 0.0008309000000000 ] - [ 0.0000462100000000, 0.0009831500000000, -0.0003001100000000 ] - [ -0.0003656500000000, -0.0009605900000000, 0.0007499500000000 ] - [ -0.0040025100000000, 0.0018766400000000, 0.0018294600000000 ] - [ 0.0002081400000000, -0.0016879100000000, -0.0008694000000000 ] - [ 0.0004011600000000, -0.0007665600000000, -0.0003372800000000 ] - [ -0.0002526000000000, 0.0010554400000000, 0.0026054900000000 ] - [ 0.0014145500000000, -0.0054077700000000, 0.0050471300000000 ] - [ 0.0011671200000000, 0.0069502800000000, -0.0022420600000000 ]- atom: 1 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.1658406300000000, 0.3219489000000000, -0.0869421300000000 ] - [ -0.0017723700000000, -0.0122658800000000, 0.0015382100000000 ] - [ 0.0004533200000000, 0.0003203500000000, 0.0001266300000000 ] - [ 0.0000221700000000, -0.0008532000000000, 0.0003494400000000 ] - [ -0.0038633400000000, 0.0017752900000000, -0.0019381300000000 ] - [ -0.0015268200000000, -0.0023417200000000, 0.0002351300000000 ] - [ 0.0005955000000000, 0.0002928600000000, 0.0016557700000000 ] - [ 0.0000298500000000, -0.0003550900000000, 0.0007028100000000 ] - [ -0.0006265300000000, 0.0015396600000000, -0.0005940600000000 ] - [ -0.0015994400000000, -0.0025201700000000, 0.0015320600000000 ] - [ -0.0001497500000000, 0.0011164000000000, 0.0014291400000000 ] - [ -0.0000363600000000, -0.0011736900000000, -0.0005244900000000 ] - [ -0.0177014300000000, -0.0068207000000000, 0.0148352000000000 ] - [ 0.0013309700000000, -0.0035314900000000, -0.0016764000000000 ] - [ 0.0000542500000000, 0.0004046100000000, 0.0005402500000000 ] - [ -0.0000562400000000, -0.0004142700000000, 0.0008430200000000 ] - [ -0.0324193300000000, -0.0067348200000000, -0.0115181300000000 ] - [ 0.0019637100000000, -0.0029427300000000, -0.0002832200000000 ] - [ 0.0001542800000000, 0.0001749300000000, -0.0003498400000000 ] - [ 0.0000006000000000, -0.0001732600000000, -0.0004190400000000 ] - [ -0.0028063300000000, -0.0555886900000000, -0.0067536300000000 ] - [ 0.0053305200000000, -0.0240126700000000, -0.0055383300000000 ] - [ 0.0001476700000000, 0.0005029400000000, 0.0002109700000000 ] - [ 0.0003398800000000, 0.0000563400000000, 0.0002274700000000 ] - [ -0.0031875900000000, 0.0085992300000000, 0.0044163000000000 ] - [ 0.0017899600000000, -0.0079505400000000, -0.0036919200000000 ] - [ -0.0007719900000000, 0.0015582000000000, 0.0004595800000000 ] - [ 0.0002030600000000, -0.0014738700000000, 0.0007244100000000 ] - [ 0.0010644500000000, 0.0026384900000000, -0.0032782000000000 ] - [ -0.0073285000000000, -0.0174555500000000, 0.0138914500000000 ] - [ -0.0001117600000000, 0.0002640700000000, 0.0015004100000000 ] - [ -0.0006466500000000, -0.0009569000000000, -0.0012236000000000 ] - [ -0.0012018300000000, -0.0015570000000000, 0.0000350100000000 ] - [ -0.0017914500000000, -0.0015718200000000, -0.0011673300000000 ] - [ 0.0001715100000000, -0.0003438400000000, 0.0001445400000000 ] - [ 0.0001340400000000, -0.0003466600000000, 0.0002489400000000 ] - [ -0.0022997900000000, -0.0017295900000000, -0.0021359400000000 ] - [ 0.0122424300000000, 0.0003013900000000, 0.0098905900000000 ] - [ 0.0006648000000000, -0.0002047000000000, 0.0016408600000000 ] - [ 0.0006630400000000, 0.0002220200000000, 0.0009750500000000 ] - [ -0.0001919500000000, -0.0005624400000000, -0.0014441000000000 ] - [ 0.0014703900000000, 0.0007666300000000, 0.0019333000000000 ] - [ -0.0008864300000000, -0.0012927100000000, 0.0013164800000000 ] - [ 0.0006651600000000, 0.0011091000000000, -0.0003680200000000 ] - [ 0.0007972500000000, -0.0013351700000000, 0.0005536600000000 ] - [ -0.0021851400000000, 0.0010828200000000, -0.0019953400000000 ] - [ -0.0000706600000000, -0.0002357600000000, 0.0004821100000000 ] - [ -0.0003265400000000, 0.0002218800000000, 0.0008357600000000 ] - [ 0.0023822100000000, -0.0021673200000000, -0.0009102700000000 ] - [ -0.0183590500000000, -0.0025803100000000, -0.0035301800000000 ] - [ 0.0000803600000000, -0.0001284500000000, -0.0004367400000000 ] - [ -0.0002471600000000, 0.0001395600000000, -0.0005625500000000 ] - [ -0.0040479700000000, 0.0059263500000000, 0.0006302700000000 ] - [ 0.0017126800000000, -0.0032677600000000, -0.0015169500000000 ] - [ -0.0000076400000000, 0.0007875700000000, 0.0003579400000000 ] - [ 0.0003153400000000, -0.0000969900000000, 0.0000342100000000 ] - [ -0.0008799200000000, -0.0012552500000000, -0.0018146200000000 ] - [ 0.0013941400000000, -0.0012678500000000, 0.0006269800000000 ] - [ -0.0004787700000000, -0.0000599900000000, 0.0012657400000000 ] - [ -0.0003410200000000, -0.0000631100000000, 0.0002197200000000 ] - [ 0.0020176900000000, 0.0050015300000000, -0.0016669300000000 ] - [ -0.0015197500000000, -0.0024089100000000, 0.0007193600000000 ] - [ 0.0000209400000000, 0.0009852800000000, 0.0004969300000000 ] - [ -0.0008676400000000, -0.0008836000000000, 0.0010195000000000 ] - [ 0.0025874400000000, -0.0082299100000000, 0.0026625200000000 ] - [ 0.0042862800000000, 0.0121571100000000, -0.0003434100000000 ] - [ 0.0002383700000000, -0.0017204500000000, -0.0025646200000000 ] - [ -0.0000543500000000, 0.0021682400000000, 0.0002729300000000 ] - [ -0.1023854700000000, -0.1915372500000000, 0.0357695800000000 ] - [ -0.0060062900000000, 0.0175664600000000, 0.0029433500000000 ] - [ -0.0000977500000000, -0.0007289700000000, -0.0005909800000000 ] - [ 0.0002462600000000, 0.0007332900000000, -0.0008394300000000 ] - [ 0.0023222300000000, 0.0032798800000000, 0.0029839600000000 ] - [ -0.0093692600000000, -0.0037189100000000, -0.0054651900000000 ] - [ 0.0006014400000000, 0.0009163600000000, -0.0025194400000000 ] - [ -0.0006563400000000, -0.0009426600000000, -0.0000510300000000 ] - [ -0.0021955200000000, 0.0046551500000000, -0.0005736100000000 ] - [ 0.0119744700000000, -0.0040071300000000, 0.0078773300000000 ] - [ 0.0000836000000000, 0.0003998700000000, -0.0004499800000000 ] - [ 0.0006091200000000, -0.0003973000000000, -0.0008354800000000 ] - [ -0.0050577200000000, 0.0192962900000000, 0.0178715200000000 ] - [ -0.0064826200000000, -0.0342634300000000, 0.0204818500000000 ] - [ -0.0003845000000000, 0.0008228000000000, -0.0016924200000000 ] - [ -0.0002682500000000, -0.0010420500000000, -0.0001480700000000 ] - [ 0.0150699500000000, -0.0057314500000000, 0.0070868200000000 ] - [ -0.0000605600000000, 0.0054494200000000, 0.0004814000000000 ] - [ -0.0002866800000000, -0.0007686500000000, -0.0015707400000000 ] - [ 0.0001461900000000, 0.0007754400000000, -0.0008240600000000 ] - [ -0.0000442700000000, -0.0009831700000000, 0.0003000500000000 ] - [ 0.0003636300000000, 0.0009609300000000, -0.0007423500000000 ] - [ 0.0039893300000000, -0.0018790600000000, -0.0018203100000000 ] - [ -0.0002043400000000, 0.0016917600000000, 0.0008602200000000 ] - [ -0.0004022400000000, 0.0007592300000000, 0.0003474000000000 ] - [ 0.0002518300000000, -0.0010431000000000, -0.0025960500000000 ] - [ -0.0014110100000000, 0.0053927800000000, -0.0050847400000000 ] - [ -0.0011486600000000, -0.0068434600000000, 0.0024078400000000 ]- atom: 1 displacement: [ -0.0005882137232583, 0.0000000000000000, 0.0099826852407441 ] forces: - [ 0.0525304900000000, 0.0942995900000000, -0.1261235400000000 ] - [ 0.0002728600000000, -0.0020206300000000, -0.0017068900000000 ] - [ 0.0000260400000000, -0.0005190600000000, 0.0017500600000000 ] - [ -0.0000410500000000, -0.0007607300000000, 0.0012609000000000 ] - [ -0.0025758600000000, 0.0016203200000000, -0.0003906600000000 ] - [ -0.0021953600000000, -0.0015515700000000, -0.0004188300000000 ] - [ 0.0017080400000000, -0.0001127500000000, 0.0027155900000000 ] - [ 0.0013763900000000, 0.0002257000000000, 0.0017260700000000 ] - [ -0.0014750100000000, 0.0019076700000000, 0.0016585000000000 ] - [ -0.0018644700000000, -0.0020136400000000, 0.0017610800000000 ] - [ 0.0005254500000000, -0.0007877700000000, 0.0023674900000000 ] - [ 0.0006615100000000, 0.0006944300000000, 0.0000768100000000 ] - [ -0.0280522200000000, -0.0294058300000000, 0.0159003500000000 ] - [ 0.0005842800000000, -0.0002565100000000, -0.0027407800000000 ] - [ -0.0002275400000000, 0.0002529700000000, 0.0019727800000000 ] - [ -0.0002623500000000, -0.0002510700000000, 0.0018968600000000 ] - [ 0.0107459200000000, 0.0082674100000000, -0.0106208200000000 ] - [ -0.0007721000000000, -0.0009469200000000, -0.0023821200000000 ] - [ 0.0006981700000000, 0.0000028900000000, 0.0006027800000000 ] - [ 0.0005020300000000, 0.0000008300000000, 0.0003885400000000 ] - [ 0.0024853500000000, -0.0059861900000000, -0.0144623000000000 ] - [ 0.0033851500000000, -0.0054496000000000, -0.0091192800000000 ] - [ 0.0000052900000000, 0.0006154400000000, 0.0012584600000000 ] - [ -0.0000353500000000, 0.0006259400000000, 0.0017961700000000 ] - [ -0.0065455600000000, 0.0041077400000000, 0.0115176500000000 ] - [ 0.0005043500000000, -0.0041649800000000, -0.0014971300000000 ] - [ -0.0002259900000000, 0.0000878300000000, 0.0027886700000000 ] - [ -0.0003254300000000, 0.0003001800000000, 0.0010047700000000 ] - [ 0.0003431700000000, 0.0037159200000000, -0.0010414900000000 ] - [ -0.0060517900000000, -0.0138508700000000, 0.0123013700000000 ] - [ -0.0005652600000000, -0.0010940300000000, 0.0020376400000000 ] - [ 0.0002957800000000, 0.0016027600000000, 0.0031840200000000 ] - [ 0.0005797400000000, 0.0006647800000000, -0.0027992800000000 ] - [ -0.0009012500000000, -0.0005168800000000, -0.0028750200000000 ] - [ 0.0000400000000000, -0.0006558300000000, 0.0012145100000000 ] - [ 0.0000792700000000, -0.0005499700000000, 0.0012159500000000 ] - [ -0.0004433500000000, -0.0001602700000000, -0.0001648100000000 ] - [ 0.0107186400000000, -0.0024944200000000, 0.0081443600000000 ] - [ 0.0007983400000000, -0.0001734800000000, 0.0018676200000000 ] - [ 0.0006668100000000, 0.0001524500000000, 0.0020749600000000 ] - [ -0.0000937700000000, -0.0000145300000000, -0.0000478800000000 ] - [ 0.0011016900000000, 0.0001800400000000, 0.0022151600000000 ] - [ -0.0008111900000000, -0.0014468100000000, 0.0012099300000000 ] - [ -0.0017814400000000, 0.0010833800000000, 0.0014753600000000 ] - [ 0.0006722200000000, -0.0005566400000000, -0.0016044300000000 ] - [ 0.0014969800000000, 0.0009674100000000, -0.0042158600000000 ] - [ -0.0003743000000000, -0.0000405200000000, 0.0016458800000000 ] - [ -0.0005517900000000, 0.0000348800000000, 0.0020884400000000 ] - [ -0.0004800600000000, -0.0004003100000000, -0.0022332200000000 ] - [ -0.0134444400000000, -0.0026043400000000, -0.0077300600000000 ] - [ 0.0005569500000000, -0.0000832000000000, 0.0003738300000000 ] - [ 0.0008640400000000, 0.0000673200000000, 0.0007731500000000 ] - [ -0.0012168200000000, 0.0012529700000000, -0.0032249400000000 ] - [ 0.0007801200000000, -0.0011911600000000, -0.0020646100000000 ] - [ 0.0000224400000000, 0.0007714300000000, 0.0013876500000000 ] - [ 0.0001015200000000, 0.0004323400000000, 0.0010395600000000 ] - [ -0.0006739500000000, 0.0001411400000000, 0.0000168000000000 ] - [ 0.0016546000000000, -0.0021722000000000, 0.0001401800000000 ] - [ -0.0004269700000000, -0.0001746800000000, 0.0013813700000000 ] - [ -0.0009173400000000, 0.0008786000000000, 0.0013554600000000 ] - [ 0.0015905600000000, 0.0021761500000000, 0.0003270400000000 ] - [ -0.0006323500000000, -0.0003838200000000, 0.0002668100000000 ] - [ -0.0005986100000000, -0.0000852000000000, 0.0016140000000000 ] - [ -0.0007794300000000, -0.0006520200000000, 0.0011583200000000 ] - [ 0.0060124000000000, -0.0101172300000000, -0.0023730700000000 ] - [ 0.0053278800000000, 0.0095501400000000, -0.0001566600000000 ] - [ -0.0005649300000000, 0.0009418300000000, -0.0044058000000000 ] - [ -0.0014675300000000, -0.0017097000000000, -0.0010472200000000 ] - [ -0.0233749700000000, -0.0248490600000000, 0.0680626100000000 ] - [ -0.0019434800000000, 0.0042366500000000, 0.0049247200000000 ] - [ 0.0002921700000000, -0.0001275600000000, -0.0028889100000000 ] - [ 0.0004799900000000, 0.0001145200000000, -0.0026583600000000 ] - [ 0.0006184700000000, 0.0001580300000000, 0.0000816700000000 ] - [ -0.0080144600000000, -0.0005280000000000, -0.0058850100000000 ] - [ 0.0004677200000000, 0.0007943300000000, -0.0025230000000000 ] - [ 0.0009609500000000, -0.0007964900000000, -0.0031229600000000 ] - [ -0.0004589500000000, 0.0009594200000000, 0.0032812900000000 ] - [ 0.0059762800000000, -0.0013974800000000, 0.0115194000000000 ] - [ 0.0002880000000000, 0.0001924000000000, -0.0023496700000000 ] - [ 0.0002288700000000, -0.0001959800000000, -0.0031223700000000 ] - [ -0.0012118200000000, 0.0028095100000000, 0.0078111400000000 ] - [ -0.0082332000000000, -0.0250928900000000, 0.0399240700000000 ] - [ -0.0003666200000000, 0.0006734200000000, -0.0038036400000000 ] - [ -0.0002795700000000, -0.0003002600000000, -0.0055579600000000 ] - [ 0.0015073600000000, -0.0026799700000000, 0.0046999600000000 ] - [ 0.0012971900000000, 0.0027141600000000, 0.0034611900000000 ] - [ -0.0010238300000000, 0.0000759500000000, -0.0038833500000000 ] - [ -0.0006229100000000, -0.0000758600000000, -0.0030482400000000 ] - [ 0.0002986100000000, -0.0006836600000000, -0.0019145200000000 ] - [ 0.0003176700000000, 0.0006509200000000, -0.0018657100000000 ] - [ 0.0045664200000000, -0.0001894500000000, 0.0002823600000000 ] - [ 0.0000589200000000, 0.0000181600000000, 0.0017096000000000 ] - [ -0.0003282000000000, 0.0000000000000000, -0.0018333700000000 ] - [ 0.0001188400000000, 0.0000605600000000, -0.0046115000000000 ] - [ -0.0018724200000000, 0.0040411800000000, 0.0000851100000000 ] - [ -0.0020866700000000, -0.0028497000000000, 0.0057192700000000 ]- atom: 1 displacement: [ 0.0005882137232583, 0.0000000000000000, -0.0099826852407441 ] forces: - [ -0.0527242200000000, -0.0971330800000000, 0.1271726400000000 ] - [ 0.0002465300000000, 0.0016890900000000, 0.0012827400000000 ] - [ 0.0004776100000000, 0.0001294300000000, -0.0021688400000000 ] - [ 0.0005488700000000, 0.0003819700000000, -0.0016807300000000 ] - [ 0.0031414300000000, -0.0016426000000000, 0.0020549700000000 ] - [ 0.0027082900000000, 0.0015717400000000, 0.0020475300000000 ] - [ -0.0012193500000000, 0.0001094700000000, -0.0011038300000000 ] - [ -0.0008831500000000, -0.0002229300000000, -0.0001090700000000 ] - [ 0.0015095700000000, -0.0019373900000000, -0.0021067600000000 ] - [ 0.0018942600000000, 0.0020366000000000, -0.0022187700000000 ] - [ -0.0005084700000000, 0.0007782200000000, -0.0028228900000000 ] - [ -0.0006408000000000, -0.0006817100000000, -0.0005242500000000 ] - [ 0.0276367100000000, 0.0290578000000000, -0.0152239000000000 ] - [ -0.0006047000000000, 0.0002752300000000, 0.0031860400000000 ] - [ 0.0002098100000000, -0.0002583000000000, -0.0015330600000000 ] - [ 0.0002447700000000, 0.0002553600000000, -0.0014554700000000 ] - [ -0.0109186500000000, -0.0080953200000000, 0.0091780000000000 ] - [ 0.0002861600000000, 0.0009628100000000, 0.0007689300000000 ] - [ -0.0011918400000000, -0.0000038400000000, -0.0022242800000000 ] - [ -0.0009943600000000, 0.0000017300000000, -0.0020096000000000 ] - [ -0.0019639900000000, 0.0067036000000000, 0.0140592400000000 ] - [ -0.0029175000000000, 0.0058387800000000, 0.0087713900000000 ] - [ 0.0005019800000000, -0.0002352600000000, -0.0016777200000000 ] - [ 0.0005395200000000, -0.0002376900000000, -0.0022166500000000 ] - [ 0.0061567800000000, -0.0045756100000000, -0.0113095000000000 ] - [ -0.0010272500000000, 0.0038409000000000, 0.0019456300000000 ] - [ -0.0002764100000000, -0.0004845800000000, -0.0023751100000000 ] - [ -0.0001832400000000, -0.0006750600000000, -0.0005956200000000 ] - [ -0.0008622300000000, -0.0033752500000000, 0.0014948300000000 ] - [ 0.0055954300000000, 0.0143834600000000, -0.0120530200000000 ] - [ 0.0000581200000000, 0.0014758600000000, -0.0016322200000000 ] - [ -0.0007971000000000, -0.0012025700000000, -0.0027479000000000 ] - [ -0.0000504000000000, -0.0010279600000000, 0.0023700300000000 ] - [ 0.0014300500000000, 0.0001418400000000, 0.0024689300000000 ] - [ 0.0004663300000000, 0.0002722600000000, -0.0016319700000000 ] - [ 0.0004282500000000, 0.0001671600000000, -0.0016351200000000 ] - [ 0.0009481300000000, 0.0001771300000000, 0.0018092700000000 ] - [ -0.0104073700000000, 0.0025304200000000, -0.0066241300000000 ] - [ -0.0003119300000000, 0.0001734200000000, -0.0002570600000000 ] - [ -0.0001833000000000, -0.0001541400000000, -0.0004619100000000 ] - [ 0.0001083600000000, 0.0000205200000000, -0.0003797600000000 ] - [ -0.0011027700000000, -0.0001877800000000, -0.0026736500000000 ] - [ 0.0008335000000000, 0.0014516800000000, -0.0016673900000000 ] - [ 0.0017920500000000, -0.0010888400000000, -0.0019267400000000 ] - [ -0.0006923700000000, 0.0005667400000000, 0.0020396700000000 ] - [ -0.0014982900000000, -0.0009786100000000, 0.0046749500000000 ] - [ 0.0003587300000000, 0.0000405700000000, -0.0012015600000000 ] - [ 0.0005403100000000, -0.0000362100000000, -0.0016495700000000 ] - [ -0.0000271800000000, 0.0004180300000000, 0.0006185100000000 ] - [ 0.0131220800000000, 0.0026153000000000, 0.0061963800000000 ] - [ -0.0010485500000000, 0.0000842100000000, -0.0019942900000000 ] - [ -0.0013527300000000, -0.0000671300000000, -0.0023924700000000 ] - [ 0.0017717000000000, -0.0009218300000000, 0.0027960200000000 ] - [ -0.0002828200000000, 0.0016022900000000, 0.0016570000000000 ] - [ 0.0004856300000000, -0.0003913700000000, -0.0018077000000000 ] - [ 0.0004046900000000, -0.0000467700000000, -0.0014573500000000 ] - [ 0.0001761300000000, -0.0005085200000000, 0.0004288600000000 ] - [ -0.0021833600000000, 0.0018025600000000, 0.0002758900000000 ] - [ -0.0000770000000000, -0.0002127600000000, -0.0009749300000000 ] - [ 0.0004117100000000, -0.0012632200000000, -0.0009431100000000 ] - [ -0.0021213100000000, -0.0018433400000000, 0.0001131900000000 ] - [ 0.0001372100000000, 0.0007909900000000, 0.0001471900000000 ] - [ 0.0000915000000000, 0.0004660600000000, -0.0012031900000000 ] - [ 0.0002769100000000, 0.0010428000000000, -0.0007508300000000 ] - [ -0.0064612500000000, 0.0102704800000000, 0.0021399000000000 ] - [ -0.0057283900000000, -0.0096565300000000, -0.0000408300000000 ] - [ 0.0001988600000000, -0.0009263400000000, 0.0042201700000000 ] - [ 0.0010993500000000, 0.0016857700000000, 0.0008468300000000 ] - [ 0.0238600200000000, 0.0247839400000000, -0.0682714100000000 ] - [ 0.0022971100000000, -0.0043080500000000, -0.0047232400000000 ] - [ 0.0000723100000000, 0.0001352200000000, 0.0030948600000000 ] - [ -0.0001162700000000, -0.0001228000000000, 0.0028636600000000 ] - [ -0.0009961400000000, -0.0001944200000000, -0.0003201700000000 ] - [ 0.0077569500000000, 0.0005712400000000, 0.0057358800000000 ] - [ -0.0008342600000000, -0.0007979800000000, 0.0023415500000000 ] - [ -0.0013184300000000, 0.0008005600000000, 0.0029285500000000 ] - [ 0.0008314200000000, -0.0010044500000000, -0.0030692100000000 ] - [ -0.0057121300000000, 0.0014410800000000, -0.0113872300000000 ] - [ 0.0000740200000000, -0.0001942900000000, 0.0025509700000000 ] - [ 0.0001270000000000, 0.0001978500000000, 0.0033294400000000 ] - [ 0.0012631200000000, -0.0029355900000000, -0.0079719000000000 ] - [ 0.0088880700000000, 0.0270831600000000, -0.0413728300000000 ] - [ 0.0003689600000000, -0.0006777400000000, 0.0038164000000000 ] - [ 0.0002835000000000, 0.0003091500000000, 0.0055563100000000 ] - [ -0.0017396900000000, 0.0027265500000000, -0.0048065100000000 ] - [ -0.0013115800000000, -0.0027583700000000, -0.0034805900000000 ] - [ 0.0010251500000000, -0.0000697700000000, 0.0038941800000000 ] - [ 0.0006208400000000, 0.0000698100000000, 0.0030549700000000 ] - [ -0.0003012500000000, 0.0006938500000000, 0.0019054200000000 ] - [ -0.0003206100000000, -0.0006608000000000, 0.0018664300000000 ] - [ -0.0045852800000000, 0.0001986900000000, -0.0002584600000000 ] - [ -0.0000600400000000, -0.0000288500000000, -0.0017078600000000 ] - [ 0.0003329000000000, -0.0000036300000000, 0.0018273900000000 ] - [ -0.0001192800000000, -0.0000603100000000, 0.0046432500000000 ] - [ 0.0018781300000000, -0.0040721800000000, -0.0000390000000000 ] - [ 0.0021404100000000, 0.0031383700000000, -0.0053028100000000 ]- atom: 5 displacement: [ 0.0099999156518758, 0.0000000000000000, 0.0000410725622434 ] forces: - [ 0.0064327000000000, 0.0039569400000000, -0.0027175200000000 ] - [ 0.0014407300000000, 0.0015935600000000, -0.0026020600000000 ] - [ 0.0003437900000000, -0.0005470900000000, 0.0012777800000000 ] - [ 0.0004313600000000, 0.0000271800000000, 0.0009383400000000 ] - [ -0.3595923200000000, 0.0000000000000000, -0.2122600600000000 ] - [ -0.0030149100000000, 0.0000000000000000, -0.0010069100000000 ] - [ 0.0005463800000000, 0.0000000000000000, 0.0015549300000000 ] - [ 0.0004441400000000, 0.0000000000000000, 0.0012963000000000 ] - [ -0.0028255900000000, 0.0000000000000000, 0.0141737800000000 ] - [ -0.0011012000000000, 0.0000000000000000, -0.0004660000000000 ] - [ -0.0005187200000000, 0.0000000000000000, 0.0008464500000000 ] - [ -0.0003232900000000, 0.0000000000000000, 0.0004592400000000 ] - [ 0.0028464200000000, 0.0000000000000000, 0.0028262700000000 ] - [ 0.0009034900000000, 0.0000000000000000, -0.0003836800000000 ] - [ 0.0010866500000000, 0.0000000000000000, 0.0017629300000000 ] - [ 0.0006056300000000, 0.0000000000000000, 0.0005941900000000 ] - [ 0.0365103300000000, 0.0000000000000000, 0.0164388300000000 ] - [ 0.0011597500000000, 0.0000000000000000, -0.0003994200000000 ] - [ 0.0009617800000000, 0.0000000000000000, 0.0004805200000000 ] - [ 0.0005625800000000, 0.0000000000000000, -0.0001513100000000 ] - [ 0.0064327000000000, -0.0039569400000000, -0.0027175200000000 ] - [ 0.0014407300000000, -0.0015935600000000, -0.0026020600000000 ] - [ 0.0003437900000000, 0.0005470900000000, 0.0012777800000000 ] - [ 0.0004313600000000, -0.0000271800000000, 0.0009383400000000 ] - [ 0.0352071200000000, -0.0321544700000000, 0.0129385000000000 ] - [ -0.0010105100000000, 0.0020352600000000, -0.0003790600000000 ] - [ -0.0004910900000000, 0.0002162400000000, 0.0011533100000000 ] - [ -0.0004385300000000, 0.0000607000000000, 0.0009572600000000 ] - [ 0.0352071200000000, 0.0321544700000000, 0.0129385000000000 ] - [ -0.0010105100000000, -0.0020352600000000, -0.0003790600000000 ] - [ -0.0004910900000000, -0.0002162400000000, 0.0011533100000000 ] - [ -0.0004385300000000, -0.0000607000000000, 0.0009572600000000 ] - [ -0.0026994200000000, -0.0123268300000000, 0.0102819800000000 ] - [ -0.0004970500000000, 0.0023634800000000, -0.0009577400000000 ] - [ -0.0000898200000000, -0.0006083500000000, 0.0002060500000000 ] - [ -0.0001091500000000, -0.0006150800000000, 0.0003336100000000 ] - [ 0.0096132700000000, -0.0012268500000000, 0.0021899300000000 ] - [ 0.0096132700000000, 0.0012268500000000, 0.0021899300000000 ] - [ 0.0010371000000000, -0.0000259600000000, 0.0017515500000000 ] - [ 0.0010371000000000, 0.0000259600000000, 0.0017515500000000 ] - [ 0.0036446200000000, -0.0018336700000000, -0.0031859000000000 ] - [ 0.0036446200000000, 0.0018336700000000, -0.0031859000000000 ] - [ 0.0000447700000000, -0.0003360400000000, 0.0008490400000000 ] - [ 0.0000447700000000, 0.0003360400000000, 0.0008490400000000 ] - [ -0.0022609400000000, -0.0018504300000000, 0.0011958200000000 ] - [ -0.0022609400000000, 0.0018504300000000, 0.0011958200000000 ] - [ -0.0012319300000000, 0.0004685500000000, 0.0010293700000000 ] - [ -0.0012319300000000, -0.0004685500000000, 0.0010293700000000 ] - [ -0.0068999400000000, -0.0000655300000000, -0.0053801000000000 ] - [ -0.0068999400000000, 0.0000655300000000, -0.0053801000000000 ] - [ -0.0002289300000000, 0.0000356800000000, -0.0002717000000000 ] - [ -0.0002289300000000, -0.0000356800000000, -0.0002717000000000 ] - [ -0.0026994200000000, 0.0123268300000000, 0.0102819800000000 ] - [ -0.0004970500000000, -0.0023634800000000, -0.0009577400000000 ] - [ -0.0000898200000000, 0.0006083500000000, 0.0002060500000000 ] - [ -0.0001091500000000, 0.0006150800000000, 0.0003336100000000 ] - [ 0.0141565600000000, -0.0185084000000000, -0.0123729000000000 ] - [ 0.0003550500000000, 0.0024315900000000, 0.0000101200000000 ] - [ -0.0002356000000000, -0.0001862100000000, 0.0013337300000000 ] - [ -0.0003782500000000, 0.0001418600000000, 0.0010154800000000 ] - [ 0.0141565600000000, 0.0185084000000000, -0.0123729000000000 ] - [ 0.0003550500000000, -0.0024315900000000, 0.0000101200000000 ] - [ -0.0002356000000000, 0.0001862100000000, 0.0013337300000000 ] - [ -0.0003782500000000, -0.0001418600000000, 0.0010154800000000 ] - [ 0.1599086200000000, 0.0000000000000000, 0.1158558700000000 ] - [ 0.0042622100000000, 0.0000000000000000, 0.0010905800000000 ] - [ 0.0002405400000000, 0.0000000000000000, -0.0019768900000000 ] - [ 0.0001589400000000, 0.0000000000000000, -0.0012599400000000 ] - [ -0.0177679000000000, 0.0000000000000000, -0.0090296700000000 ] - [ -0.0026510400000000, 0.0000000000000000, 0.0001496700000000 ] - [ -0.0006575900000000, 0.0000000000000000, -0.0025629600000000 ] - [ -0.0006961000000000, 0.0000000000000000, -0.0007188700000000 ] - [ -0.0116942800000000, 0.0131669600000000, 0.0022376500000000 ] - [ -0.0116942800000000, -0.0131669600000000, 0.0022376500000000 ] - [ -0.0004016900000000, 0.0003126700000000, -0.0018889500000000 ] - [ -0.0004016900000000, -0.0003126700000000, -0.0018889500000000 ] - [ 0.0106622900000000, 0.0108491800000000, 0.0010289300000000 ] - [ 0.0106622900000000, -0.0108491800000000, 0.0010289300000000 ] - [ 0.0011076300000000, -0.0000668000000000, -0.0013896400000000 ] - [ 0.0011076300000000, 0.0000668000000000, -0.0013896400000000 ] - [ -0.0063915900000000, -0.0134679800000000, 0.0199813800000000 ] - [ -0.0063915900000000, 0.0134679800000000, 0.0199813800000000 ] - [ -0.0001963000000000, -0.0001727700000000, -0.0027451800000000 ] - [ -0.0001963000000000, 0.0001727700000000, -0.0027451800000000 ] - [ 0.0803620000000000, 0.0000000000000000, 0.0309678600000000 ] - [ 0.0010710200000000, 0.0000000000000000, 0.0013119000000000 ] - [ -0.0006547000000000, 0.0000000000000000, -0.0022120200000000 ] - [ -0.0003120600000000, 0.0000000000000000, -0.0016814300000000 ] - [ 0.0026300300000000, 0.0000000000000000, 0.0052063600000000 ] - [ 0.0006810300000000, 0.0000000000000000, 0.0011812500000000 ] - [ 0.0005023100000000, 0.0000000000000000, -0.0043460900000000 ] - [ -0.0003352300000000, 0.0000000000000000, -0.0010577700000000 ] - [ -0.0018263700000000, -0.0042393100000000, -0.0047910700000000 ] - [ -0.0018263700000000, 0.0042393100000000, -0.0047910700000000 ] - [ 0.0001078100000000, 0.0007310500000000, -0.0003699600000000 ] - [ 0.0001078100000000, -0.0007310500000000, -0.0003699600000000 ]- atom: 5 displacement: [ -0.0099999156518758, 0.0000000000000000, -0.0000410725622434 ] forces: - [ -0.0058523900000000, -0.0042905800000000, 0.0022986200000000 ] - [ -0.0009249000000000, -0.0019731900000000, 0.0021842400000000 ] - [ 0.0001673300000000, 0.0001591300000000, -0.0016773800000000 ] - [ 0.0000774900000000, -0.0004081700000000, -0.0013506000000000 ] - [ 0.3622536100000000, 0.0000000000000000, 0.2209314000000000 ] - [ 0.0034904100000000, 0.0000000000000000, 0.0026154700000000 ] - [ -0.0000528800000000, 0.0000000000000000, 0.0000706300000000 ] - [ 0.0000467100000000, 0.0000000000000000, 0.0003248100000000 ] - [ 0.0031311800000000, 0.0000000000000000, -0.0142598300000000 ] - [ 0.0011167700000000, 0.0000000000000000, 0.0000147100000000 ] - [ 0.0005303600000000, 0.0000000000000000, -0.0012753300000000 ] - [ 0.0003364200000000, 0.0000000000000000, -0.0008921600000000 ] - [ -0.0028360200000000, 0.0000000000000000, -0.0023400000000000 ] - [ -0.0009175700000000, 0.0000000000000000, 0.0008228800000000 ] - [ -0.0010891700000000, 0.0000000000000000, -0.0013107900000000 ] - [ -0.0006179900000000, 0.0000000000000000, -0.0001494800000000 ] - [ -0.0364768400000000, 0.0000000000000000, -0.0178594600000000 ] - [ -0.0016479600000000, 0.0000000000000000, -0.0012161000000000 ] - [ -0.0014413400000000, 0.0000000000000000, -0.0020842700000000 ] - [ -0.0010477500000000, 0.0000000000000000, -0.0014615200000000 ] - [ -0.0058523900000000, 0.0042905800000000, 0.0022986200000000 ] - [ -0.0009249000000000, 0.0019731900000000, 0.0021842400000000 ] - [ 0.0001673300000000, -0.0001591300000000, -0.0016773800000000 ] - [ 0.0000774900000000, 0.0004081700000000, -0.0013506000000000 ] - [ -0.0360984700000000, 0.0322132200000000, -0.0128905500000000 ] - [ 0.0005112600000000, -0.0024221900000000, 0.0007804500000000 ] - [ -0.0000198200000000, -0.0005937500000000, -0.0007267500000000 ] - [ -0.0000718100000000, -0.0004397800000000, -0.0005325800000000 ] - [ -0.0360984700000000, -0.0322132200000000, -0.0128905500000000 ] - [ 0.0005112600000000, 0.0024221900000000, 0.0007804500000000 ] - [ -0.0000198200000000, 0.0005937500000000, -0.0007267500000000 ] - [ -0.0000718100000000, 0.0004397800000000, -0.0005325800000000 ] - [ 0.0031281300000000, 0.0118149300000000, -0.0105929400000000 ] - [ 0.0009933000000000, -0.0027250500000000, 0.0005351100000000 ] - [ 0.0005946600000000, 0.0002253400000000, -0.0006126600000000 ] - [ 0.0006116300000000, 0.0002265800000000, -0.0007417000000000 ] - [ -0.0090913400000000, 0.0012077200000000, -0.0005680700000000 ] - [ -0.0090913400000000, -0.0012077200000000, -0.0005680700000000 ] - [ -0.0005409800000000, 0.0000267200000000, -0.0001249700000000 ] - [ -0.0005409800000000, -0.0000267200000000, -0.0001249700000000 ] - [ -0.0036102200000000, 0.0018198300000000, 0.0027150500000000 ] - [ -0.0036102200000000, -0.0018198300000000, 0.0027150500000000 ] - [ -0.0000324200000000, 0.0003323200000000, -0.0012757800000000 ] - [ -0.0000324200000000, -0.0003323200000000, -0.0012757800000000 ] - [ 0.0022209700000000, 0.0018320300000000, -0.0007488800000000 ] - [ 0.0022209700000000, -0.0018320300000000, -0.0007488800000000 ] - [ 0.0012053400000000, -0.0004559000000000, -0.0005748300000000 ] - [ 0.0012053400000000, 0.0004559000000000, -0.0005748300000000 ] - [ 0.0063986400000000, 0.0001055600000000, 0.0037004900000000 ] - [ 0.0063986400000000, -0.0001055600000000, 0.0037004900000000 ] - [ -0.0002562500000000, -0.0000344100000000, -0.0013358200000000 ] - [ -0.0002562500000000, 0.0000344100000000, -0.0013358200000000 ] - [ 0.0031281300000000, -0.0118149300000000, -0.0105929400000000 ] - [ 0.0009933000000000, 0.0027250500000000, 0.0005351100000000 ] - [ 0.0005946600000000, -0.0002253400000000, -0.0006126600000000 ] - [ 0.0006116300000000, -0.0002265800000000, -0.0007417000000000 ] - [ -0.0145562500000000, 0.0179001700000000, 0.0126019300000000 ] - [ -0.0008710400000000, -0.0027895800000000, 0.0004002400000000 ] - [ -0.0002755400000000, -0.0001930600000000, -0.0009050700000000 ] - [ -0.0001337900000000, -0.0005188100000000, -0.0005907800000000 ] - [ -0.0145562500000000, -0.0179001700000000, 0.0126019300000000 ] - [ -0.0008710400000000, 0.0027895800000000, 0.0004002400000000 ] - [ -0.0002755400000000, 0.0001930600000000, -0.0009050700000000 ] - [ -0.0001337900000000, 0.0005188100000000, -0.0005907800000000 ] - [ -0.1682416900000000, 0.0000000000000000, -0.1253209000000000 ] - [ -0.0046264400000000, 0.0000000000000000, -0.0012723000000000 ] - [ -0.0006019400000000, 0.0000000000000000, 0.0017567200000000 ] - [ -0.0005193600000000, 0.0000000000000000, 0.0010479200000000 ] - [ 0.0179494500000000, 0.0000000000000000, 0.0091162000000000 ] - [ 0.0030063200000000, 0.0000000000000000, 0.0000451100000000 ] - [ 0.0010085500000000, 0.0000000000000000, 0.0027270600000000 ] - [ 0.0010524500000000, 0.0000000000000000, 0.0009133800000000 ] - [ 0.0112938300000000, -0.0130750100000000, -0.0023995400000000 ] - [ 0.0112938300000000, 0.0130750100000000, -0.0023995400000000 ] - [ 0.0000403500000000, -0.0003107000000000, 0.0016695700000000 ] - [ 0.0000403500000000, 0.0003107000000000, 0.0016695700000000 ] - [ -0.0101822600000000, -0.0107716100000000, -0.0007855700000000 ] - [ -0.0101822600000000, 0.0107716100000000, -0.0007855700000000 ] - [ -0.0007367300000000, 0.0000602900000000, 0.0015638200000000 ] - [ -0.0007367300000000, -0.0000602900000000, 0.0015638200000000 ] - [ 0.0062821500000000, 0.0134525500000000, -0.0199648800000000 ] - [ 0.0062821500000000, -0.0134525500000000, -0.0199648800000000 ] - [ 0.0001900600000000, 0.0001658600000000, 0.0027172700000000 ] - [ 0.0001900600000000, -0.0001658600000000, 0.0027172700000000 ] - [ -0.0746185100000000, 0.0000000000000000, -0.0282944300000000 ] - [ -0.0010529200000000, 0.0000000000000000, -0.0012998700000000 ] - [ 0.0006484100000000, 0.0000000000000000, 0.0021811200000000 ] - [ 0.0003105700000000, 0.0000000000000000, 0.0016616500000000 ] - [ -0.0025439900000000, 0.0000000000000000, -0.0052089500000000 ] - [ -0.0006737000000000, 0.0000000000000000, -0.0011681800000000 ] - [ -0.0004878600000000, 0.0000000000000000, 0.0043056000000000 ] - [ 0.0003349600000000, 0.0000000000000000, 0.0010480100000000 ] - [ 0.0017907900000000, 0.0041908400000000, 0.0047891500000000 ] - [ 0.0017907900000000, -0.0041908400000000, 0.0047891500000000 ] - [ -0.0001128400000000, -0.0007239300000000, 0.0003588500000000 ] - [ -0.0001128400000000, 0.0007239300000000, 0.0003588500000000 ]- atom: 5 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0007929100000000, -0.0019656300000000, 0.0013654500000000 ] - [ 0.0012521300000000, 0.0021520600000000, -0.0017127100000000 ] - [ 0.0001542100000000, -0.0004827800000000, -0.0003236500000000 ] - [ 0.0003897100000000, 0.0001629700000000, 0.0000240500000000 ] - [ -0.0000136600000000, -0.0633824100000000, 0.0002469400000000 ] - [ 0.0002442400000000, 0.0012871600000000, 0.0008070300000000 ] - [ 0.0002446400000000, -0.0000773000000000, 0.0008084100000000 ] - [ 0.0002441700000000, 0.0000791200000000, 0.0008077900000000 ] - [ 0.0000367200000000, -0.0112785700000000, -0.0002126300000000 ] - [ 0.0000074000000000, 0.0010240700000000, -0.0002227100000000 ] - [ 0.0000072300000000, -0.0002429300000000, -0.0002190500000000 ] - [ 0.0000073800000000, 0.0002430500000000, -0.0002196400000000 ] - [ -0.0000100400000000, -0.0008256100000000, 0.0002183900000000 ] - [ -0.0000077000000000, 0.0006857500000000, 0.0002203900000000 ] - [ -0.0000050600000000, -0.0004873500000000, 0.0002186700000000 ] - [ -0.0000076800000000, 0.0004398100000000, 0.0002217900000000 ] - [ -0.0002708400000000, -0.0009191200000000, -0.0008252300000000 ] - [ -0.0002449300000000, 0.0009679100000000, -0.0008085900000000 ] - [ -0.0002441200000000, -0.0000972000000000, -0.0008077900000000 ] - [ -0.0002441100000000, 0.0001234800000000, -0.0008084100000000 ] - [ 0.0012920300000000, -0.0015787100000000, -0.0017797500000000 ] - [ -0.0007448600000000, 0.0025331800000000, 0.0012981400000000 ] - [ 0.0003568700000000, -0.0001019900000000, -0.0000897100000000 ] - [ 0.0001189600000000, 0.0005442400000000, -0.0004409700000000 ] - [ -0.0253581000000000, 0.0066330300000000, -0.0094991500000000 ] - [ -0.0009810200000000, 0.0027547400000000, 0.0011208500000000 ] - [ -0.0001912700000000, -0.0003639700000000, 0.0002093400000000 ] - [ -0.0003211800000000, -0.0000171000000000, 0.0002055400000000 ] - [ 0.0245261100000000, 0.0069679900000000, 0.0098331300000000 ] - [ 0.0004691700000000, 0.0031345800000000, -0.0007071500000000 ] - [ -0.0003192800000000, 0.0000157400000000, 0.0002083100000000 ] - [ -0.0001889700000000, 0.0003632100000000, 0.0002122300000000 ] - [ -0.0024159700000000, -0.0004966700000000, -0.0028843000000000 ] - [ 0.0013220300000000, 0.0015433800000000, -0.0003133400000000 ] - [ 0.0001514100000000, -0.0004128600000000, -0.0000604300000000 ] - [ 0.0003518600000000, 0.0000145400000000, -0.0003758700000000 ] - [ 0.0014606200000000, 0.0015722200000000, 0.0004854100000000 ] - [ -0.0009765400000000, 0.0015744600000000, 0.0011313500000000 ] - [ 0.0002715300000000, -0.0000035200000000, 0.0007728400000000 ] - [ 0.0002188400000000, -0.0000040900000000, 0.0008454500000000 ] - [ 0.0000275100000000, 0.0008768200000000, 0.0010575000000000 ] - [ -0.0000126600000000, 0.0008787700000000, -0.0014987800000000 ] - [ 0.0000510500000000, 0.0000049600000000, -0.0004032300000000 ] - [ -0.0000363300000000, 0.0000049900000000, -0.0000352700000000 ] - [ -0.0002636700000000, 0.0001281900000000, -0.0011295300000000 ] - [ 0.0002530700000000, 0.0001243400000000, 0.0015764300000000 ] - [ -0.0001823600000000, -0.0000299400000000, 0.0006553600000000 ] - [ 0.0001654600000000, -0.0000322200000000, -0.0002148400000000 ] - [ -0.0003187500000000, 0.0039660000000000, -0.0048455000000000 ] - [ -0.0001816200000000, 0.0040398600000000, 0.0032907900000000 ] - [ -0.0002104900000000, -0.0000074600000000, -0.0006424200000000 ] - [ -0.0002792300000000, -0.0000074500000000, -0.0009741600000000 ] - [ 0.0029411000000000, -0.0001374800000000, 0.0024641200000000 ] - [ -0.0008058400000000, 0.0019243400000000, -0.0001008900000000 ] - [ 0.0003576900000000, -0.0000325000000000, -0.0003557300000000 ] - [ 0.0001572300000000, 0.0003953400000000, -0.0000404700000000 ] - [ -0.0077879100000000, 0.0023849200000000, 0.0023737100000000 ] - [ -0.0008612500000000, 0.0019798200000000, 0.0005810400000000 ] - [ -0.0002037100000000, -0.0003290400000000, 0.0001443200000000 ] - [ -0.0003033400000000, -0.0000609600000000, 0.0002900200000000 ] - [ 0.0073473300000000, 0.0027618200000000, -0.0019634900000000 ] - [ 0.0003521100000000, 0.0023597400000000, -0.0001677300000000 ] - [ -0.0003064300000000, 0.0000507900000000, 0.0002732300000000 ] - [ -0.0002068200000000, 0.0003187400000000, 0.0001276100000000 ] - [ 0.0005821100000000, 0.0497300700000000, 0.0005969400000000 ] - [ -0.0001791300000000, -0.0045736700000000, -0.0000958400000000 ] - [ -0.0001807900000000, 0.0003157000000000, -0.0001005400000000 ] - [ -0.0001807400000000, -0.0003253700000000, -0.0001005600000000 ] - [ 0.0002003300000000, 0.0044212300000000, 0.0001122800000000 ] - [ 0.0001816300000000, -0.0033680400000000, 0.0000974100000000 ] - [ 0.0001794900000000, 0.0005046100000000, 0.0000959200000000 ] - [ 0.0001806100000000, -0.0006562900000000, 0.0000993500000000 ] - [ -0.0005727500000000, -0.0044996500000000, -0.0018282300000000 ] - [ 0.0002113500000000, -0.0044981600000000, 0.0016314400000000 ] - [ -0.0003089200000000, 0.0000089200000000, 0.0001355800000000 ] - [ -0.0000532600000000, 0.0000093900000000, -0.0003363400000000 ] - [ 0.0032447900000000, -0.0021092400000000, 0.0043802800000000 ] - [ -0.0029200800000000, -0.0020857400000000, -0.0042018000000000 ] - [ 0.0004149800000000, 0.0000231400000000, -0.0004512400000000 ] - [ -0.0000521200000000, 0.0000248000000000, 0.0006476300000000 ] - [ -0.0039507500000000, -0.0068046500000000, 0.0064938800000000 ] - [ 0.0039740500000000, -0.0068028800000000, -0.0064877700000000 ] - [ -0.0000337100000000, 0.0000339600000000, -0.0001759800000000 ] - [ 0.0000333300000000, 0.0000359100000000, 0.0001723700000000 ] - [ -0.0002480500000000, 0.0118218500000000, -0.0000980300000000 ] - [ -0.0000025500000000, -0.0044354100000000, 0.0000009900000000 ] - [ -0.0000009300000000, 0.0003537300000000, -0.0000016900000000 ] - [ -0.0000005100000000, -0.0003777600000000, -0.0000009700000000 ] - [ 0.0000044900000000, 0.0019886500000000, 0.0000022800000000 ] - [ -0.0000004800000000, -0.0011402100000000, 0.0000018800000000 ] - [ -0.0000014300000000, 0.0010989100000000, 0.0000005600000000 ] - [ -0.0000004000000000, -0.0008002700000000, -0.0000018200000000 ] - [ 0.0002647100000000, -0.0007438900000000, -0.0024747200000000 ] - [ -0.0002684300000000, -0.0007316400000000, 0.0024773500000000 ] - [ -0.0003231600000000, -0.0000307700000000, 0.0006838500000000 ] - [ 0.0003251300000000, -0.0000284700000000, -0.0006869500000000 ]- atom: 5 displacement: [ -0.0005882137232583, 0.0000000000000000, 0.0099826852407441 ] forces: - [ 0.0014287400000000, 0.0023214100000000, -0.0011970000000000 ] - [ 0.0003419100000000, 0.0002812500000000, -0.0012956000000000 ] - [ 0.0003255600000000, -0.0010141000000000, 0.0016149900000000 ] - [ 0.0003325600000000, -0.0000967900000000, 0.0006462400000000 ] - [ -0.1902489700000000, 0.0000000000000000, -0.2176092700000000 ] - [ -0.0013639200000000, 0.0000000000000000, -0.0009621000000000 ] - [ 0.0009629100000000, 0.0000000000000000, 0.0020832600000000 ] - [ 0.0007146300000000, 0.0000000000000000, 0.0016457000000000 ] - [ 0.0210155500000000, 0.0000000000000000, 0.0325819600000000 ] - [ -0.0001913900000000, 0.0000000000000000, -0.0014289500000000 ] - [ -0.0005442700000000, 0.0000000000000000, 0.0014706500000000 ] - [ -0.0003615400000000, 0.0000000000000000, 0.0008983000000000 ] - [ 0.0009382300000000, 0.0000000000000000, 0.0019187800000000 ] - [ 0.0003031900000000, 0.0000000000000000, 0.0001189700000000 ] - [ 0.0007681100000000, 0.0000000000000000, 0.0020833700000000 ] - [ 0.0002891900000000, 0.0000000000000000, 0.0006674200000000 ] - [ 0.0146741700000000, 0.0000000000000000, 0.0064494300000000 ] - [ 0.0000803100000000, 0.0000000000000000, -0.0011529300000000 ] - [ 0.0009560600000000, 0.0000000000000000, 0.0007579100000000 ] - [ 0.0003591000000000, 0.0000000000000000, -0.0001293400000000 ] - [ 0.0014287400000000, -0.0023214100000000, -0.0011970000000000 ] - [ 0.0003419100000000, -0.0002812500000000, -0.0012956000000000 ] - [ 0.0003255600000000, 0.0010141000000000, 0.0016149900000000 ] - [ 0.0003325600000000, 0.0000967900000000, 0.0006462400000000 ] - [ 0.0122373900000000, -0.0090123500000000, -0.0095209400000000 ] - [ -0.0004931200000000, 0.0002107000000000, -0.0013466000000000 ] - [ -0.0005251300000000, 0.0002476500000000, 0.0015494800000000 ] - [ -0.0004658800000000, 0.0001860700000000, 0.0013495800000000 ] - [ 0.0122373900000000, 0.0090123500000000, -0.0095209400000000 ] - [ -0.0004931200000000, -0.0002107000000000, -0.0013466000000000 ] - [ -0.0005251300000000, -0.0002476500000000, 0.0015494800000000 ] - [ -0.0004658800000000, -0.0001860700000000, 0.0013495800000000 ] - [ 0.0025834900000000, -0.0085934300000000, 0.0067097000000000 ] - [ 0.0007512800000000, 0.0025982700000000, -0.0011305800000000 ] - [ -0.0000277400000000, -0.0003329100000000, 0.0010166100000000 ] - [ -0.0002841300000000, -0.0009933600000000, 0.0007875300000000 ] - [ 0.0010697200000000, 0.0004007400000000, -0.0006707400000000 ] - [ 0.0010697200000000, -0.0004007400000000, -0.0006707400000000 ] - [ 0.0011293800000000, 0.0000373600000000, 0.0019803100000000 ] - [ 0.0011293800000000, -0.0000373600000000, 0.0019803100000000 ] - [ 0.0012268800000000, 0.0000643900000000, -0.0019785700000000 ] - [ 0.0012268800000000, -0.0000643900000000, -0.0019785700000000 ] - [ -0.0000960900000000, -0.0002330900000000, 0.0011773700000000 ] - [ -0.0000960900000000, 0.0002330900000000, 0.0011773700000000 ] - [ -0.0011002600000000, -0.0014137600000000, 0.0017477000000000 ] - [ -0.0011002600000000, 0.0014137600000000, 0.0017477000000000 ] - [ -0.0009468300000000, 0.0011586200000000, 0.0016305800000000 ] - [ -0.0009468300000000, -0.0011586200000000, 0.0016305800000000 ] - [ -0.0043855600000000, -0.0040661900000000, -0.0016206300000000 ] - [ -0.0043855600000000, 0.0040661900000000, -0.0016206300000000 ] - [ 0.0002808200000000, 0.0001629900000000, 0.0002333500000000 ] - [ 0.0002808200000000, -0.0001629900000000, 0.0002333500000000 ] - [ 0.0025834900000000, 0.0085934300000000, 0.0067097000000000 ] - [ 0.0007512800000000, -0.0025982700000000, -0.0011305800000000 ] - [ -0.0000277400000000, 0.0003329100000000, 0.0010166100000000 ] - [ -0.0002841300000000, 0.0009933600000000, 0.0007875300000000 ] - [ -0.0013852500000000, -0.0018153100000000, -0.0060149000000000 ] - [ 0.0003471800000000, -0.0004569100000000, -0.0011687800000000 ] - [ -0.0003583000000000, 0.0000584000000000, 0.0017190500000000 ] - [ -0.0004232300000000, 0.0001654500000000, 0.0013345600000000 ] - [ -0.0013852500000000, 0.0018153100000000, -0.0060149000000000 ] - [ 0.0003471800000000, 0.0004569100000000, -0.0011687800000000 ] - [ -0.0003583000000000, -0.0000584000000000, 0.0017190500000000 ] - [ -0.0004232300000000, -0.0001654500000000, 0.0013345600000000 ] - [ 0.1144165800000000, 0.0000000000000000, 0.1735159600000000 ] - [ 0.0013871900000000, 0.0000000000000000, 0.0024716000000000 ] - [ 0.0001616000000000, 0.0000000000000000, -0.0029193200000000 ] - [ 0.0001116400000000, 0.0000000000000000, -0.0019758700000000 ] - [ -0.0048529600000000, 0.0000000000000000, -0.0035474700000000 ] - [ -0.0004453700000000, 0.0000000000000000, 0.0001669600000000 ] - [ -0.0006228400000000, 0.0000000000000000, -0.0036036200000000 ] - [ -0.0002862800000000, 0.0000000000000000, -0.0008568300000000 ] - [ -0.0032362900000000, 0.0014342900000000, 0.0022881100000000 ] - [ -0.0032362900000000, -0.0014342900000000, 0.0022881100000000 ] - [ -0.0002505600000000, 0.0001181700000000, -0.0024643200000000 ] - [ -0.0002505600000000, -0.0001181700000000, -0.0024643200000000 ] - [ 0.0039202600000000, 0.0093020300000000, -0.0021051600000000 ] - [ 0.0039202600000000, -0.0093020300000000, -0.0021051600000000 ] - [ 0.0009580000000000, -0.0007151900000000, -0.0024155600000000 ] - [ 0.0009580000000000, 0.0007151900000000, -0.0024155600000000 ] - [ 0.0027268100000000, -0.0022953000000000, 0.0120780300000000 ] - [ 0.0027268100000000, 0.0022953000000000, 0.0120780300000000 ] - [ -0.0005271800000000, -0.0006283100000000, -0.0034463700000000 ] - [ -0.0005271800000000, 0.0006283100000000, -0.0034463700000000 ] - [ 0.0108530300000000, 0.0000000000000000, 0.0179854500000000 ] - [ -0.0004003400000000, 0.0000000000000000, 0.0043891600000000 ] - [ -0.0006901500000000, 0.0000000000000000, -0.0036964500000000 ] - [ -0.0002154000000000, 0.0000000000000000, -0.0026082400000000 ] - [ 0.0058206300000000, 0.0000000000000000, -0.0011392100000000 ] - [ 0.0002883300000000, 0.0000000000000000, 0.0009349300000000 ] - [ -0.0001939000000000, 0.0000000000000000, -0.0042679400000000 ] - [ -0.0003526800000000, 0.0000000000000000, -0.0015265900000000 ] - [ -0.0022099900000000, -0.0045808400000000, -0.0013826200000000 ] - [ -0.0022099900000000, 0.0045808400000000, -0.0013826200000000 ] - [ 0.0003903300000000, 0.0007071400000000, -0.0014626700000000 ] - [ 0.0003903300000000, -0.0007071400000000, -0.0014626700000000 ]- atom: 5 displacement: [ 0.0005882137232583, 0.0000000000000000, -0.0099826852407441 ] forces: - [ -0.0009279800000000, -0.0026959600000000, 0.0007747600000000 ] - [ 0.0001682300000000, -0.0006590800000000, 0.0008741700000000 ] - [ 0.0001823000000000, 0.0006406500000000, -0.0020379400000000 ] - [ 0.0001756500000000, -0.0002853400000000, -0.0010623400000000 ] - [ 0.1978327600000000, 0.0000000000000000, 0.2245051500000000 ] - [ 0.0018569400000000, 0.0000000000000000, 0.0025802500000000 ] - [ -0.0004721900000000, 0.0000000000000000, -0.0004690800000000 ] - [ -0.0002237200000000, 0.0000000000000000, -0.0000316000000000 ] - [ -0.0214508200000000, 0.0000000000000000, -0.0339974100000000 ] - [ 0.0002065400000000, 0.0000000000000000, 0.0009927900000000 ] - [ 0.0005597700000000, 0.0000000000000000, -0.0019153200000000 ] - [ 0.0003783100000000, 0.0000000000000000, -0.0013444200000000 ] - [ -0.0009556200000000, 0.0000000000000000, -0.0014830300000000 ] - [ -0.0003176600000000, 0.0000000000000000, 0.0003164300000000 ] - [ -0.0007933500000000, 0.0000000000000000, -0.0016469400000000 ] - [ -0.0003089300000000, 0.0000000000000000, -0.0002206200000000 ] - [ -0.0152079300000000, 0.0000000000000000, -0.0080555400000000 ] - [ -0.0005741400000000, 0.0000000000000000, -0.0004701400000000 ] - [ -0.0014524000000000, 0.0000000000000000, -0.0023807600000000 ] - [ -0.0008506100000000, 0.0000000000000000, -0.0014888900000000 ] - [ -0.0009279800000000, 0.0026959600000000, 0.0007747600000000 ] - [ 0.0001682300000000, 0.0006590800000000, 0.0008741700000000 ] - [ 0.0001823000000000, -0.0006406500000000, -0.0020379400000000 ] - [ 0.0001756500000000, 0.0002853400000000, -0.0010623400000000 ] - [ -0.0127236700000000, 0.0086116600000000, 0.0100829400000000 ] - [ -0.0000195400000000, -0.0005859800000000, 0.0017677400000000 ] - [ 0.0000143200000000, -0.0006259700000000, -0.0011360400000000 ] - [ -0.0000437300000000, -0.0005675000000000, -0.0009368000000000 ] - [ -0.0127236700000000, -0.0086116600000000, 0.0100829400000000 ] - [ -0.0000195400000000, 0.0005859800000000, 0.0017677400000000 ] - [ 0.0000143200000000, 0.0006259700000000, -0.0011360400000000 ] - [ -0.0000437300000000, 0.0005675000000000, -0.0009368000000000 ] - [ -0.0020149200000000, 0.0081602500000000, -0.0070810200000000 ] - [ -0.0002409600000000, -0.0029697500000000, 0.0007057000000000 ] - [ 0.0005388100000000, -0.0000478100000000, -0.0014350100000000 ] - [ 0.0007972800000000, 0.0006183300000000, -0.0012060300000000 ] - [ -0.0005926000000000, -0.0003882100000000, 0.0022775100000000 ] - [ -0.0005926000000000, 0.0003882100000000, 0.0022775100000000 ] - [ -0.0006394200000000, -0.0000378700000000, -0.0003653700000000 ] - [ -0.0006394200000000, 0.0000378700000000, -0.0003653700000000 ] - [ -0.0012191800000000, -0.0000558100000000, 0.0015560000000000 ] - [ -0.0012191800000000, 0.0000558100000000, 0.0015560000000000 ] - [ 0.0001123400000000, 0.0002319700000000, -0.0016218100000000 ] - [ 0.0001123400000000, -0.0002319700000000, -0.0016218100000000 ] - [ 0.0010817100000000, 0.0014096900000000, -0.0013090800000000 ] - [ 0.0010817100000000, -0.0014096900000000, -0.0013090800000000 ] - [ 0.0009362700000000, -0.0011672600000000, -0.0011909200000000 ] - [ 0.0009362700000000, 0.0011672600000000, -0.0011909200000000 ] - [ 0.0038878300000000, 0.0040479300000000, -0.0000089800000000 ] - [ 0.0038878300000000, -0.0040479300000000, -0.0000089800000000 ] - [ -0.0007728900000000, -0.0001649700000000, -0.0018534200000000 ] - [ -0.0007728900000000, 0.0001649700000000, -0.0018534200000000 ] - [ -0.0020149200000000, -0.0081602500000000, -0.0070810200000000 ] - [ -0.0002409600000000, 0.0029697500000000, 0.0007057000000000 ] - [ 0.0005388100000000, 0.0000478100000000, -0.0014350100000000 ] - [ 0.0007972800000000, -0.0006183300000000, -0.0012060300000000 ] - [ 0.0008176700000000, 0.0014873900000000, 0.0064726200000000 ] - [ -0.0008565100000000, 0.0000651000000000, 0.0015833300000000 ] - [ -0.0001514200000000, -0.0004397700000000, -0.0013056400000000 ] - [ -0.0000874600000000, -0.0005436800000000, -0.0009204500000000 ] - [ 0.0008176700000000, -0.0014873900000000, 0.0064726200000000 ] - [ -0.0008565100000000, -0.0000651000000000, 0.0015833300000000 ] - [ -0.0001514200000000, 0.0004397700000000, -0.0013056400000000 ] - [ -0.0000874600000000, 0.0005436800000000, -0.0009204500000000 ] - [ -0.1218234800000000, 0.0000000000000000, -0.1782518300000000 ] - [ -0.0017449400000000, 0.0000000000000000, -0.0026846400000000 ] - [ -0.0005224000000000, 0.0000000000000000, 0.0027219000000000 ] - [ -0.0004750700000000, 0.0000000000000000, 0.0017783900000000 ] - [ 0.0052523900000000, 0.0000000000000000, 0.0037919400000000 ] - [ 0.0008069400000000, 0.0000000000000000, 0.0000421800000000 ] - [ 0.0009965900000000, 0.0000000000000000, 0.0038160400000000 ] - [ 0.0006507800000000, 0.0000000000000000, 0.0010537700000000 ] - [ 0.0028930200000000, -0.0014913700000000, -0.0025088900000000 ] - [ 0.0028930200000000, 0.0014913700000000, -0.0025088900000000 ] - [ -0.0001111700000000, -0.0001160200000000, 0.0022670300000000 ] - [ -0.0001111700000000, 0.0001160200000000, 0.0022670300000000 ] - [ -0.0035383700000000, -0.0092796700000000, 0.0023222600000000 ] - [ -0.0035383700000000, 0.0092796700000000, 0.0023222600000000 ] - [ -0.0006015400000000, 0.0007209500000000, 0.0026214300000000 ] - [ -0.0006015400000000, -0.0007209500000000, 0.0026214300000000 ] - [ -0.0027133400000000, 0.0022840100000000, -0.0120405500000000 ] - [ -0.0027133400000000, -0.0022840100000000, -0.0120405500000000 ] - [ 0.0005282500000000, 0.0006354000000000, 0.0034541400000000 ] - [ 0.0005282500000000, -0.0006354000000000, 0.0034541400000000 ] - [ -0.0104945200000000, 0.0000000000000000, -0.0182094700000000 ] - [ 0.0003952600000000, 0.0000000000000000, -0.0043706300000000 ] - [ 0.0006906800000000, 0.0000000000000000, 0.0037020200000000 ] - [ 0.0002143500000000, 0.0000000000000000, 0.0026101200000000 ] - [ -0.0058623500000000, 0.0000000000000000, 0.0011157600000000 ] - [ -0.0002920300000000, 0.0000000000000000, -0.0009479400000000 ] - [ 0.0001899700000000, 0.0000000000000000, 0.0042661100000000 ] - [ 0.0003518700000000, 0.0000000000000000, 0.0015307300000000 ] - [ 0.0022298700000000, 0.0046069500000000, 0.0013657100000000 ] - [ 0.0022298700000000, -0.0046069500000000, 0.0013657100000000 ] - [ -0.0003893800000000, -0.0007062600000000, 0.0014673000000000 ] - [ -0.0003893800000000, 0.0007062600000000, 0.0014673000000000 ]- atom: 9 displacement: [ 0.0099999156518758, 0.0000000000000000, 0.0000410725622434 ] forces: - [ 0.0011606000000000, 0.0004447200000000, -0.0016467300000000 ] - [ 0.0011565800000000, 0.0014182400000000, -0.0020308900000000 ] - [ 0.0002272400000000, -0.0000342800000000, 0.0003138500000000 ] - [ 0.0001983900000000, -0.0001462000000000, 0.0004425500000000 ] - [ -0.0028300400000000, 0.0000000000000000, 0.0219686600000000 ] - [ -0.0008644000000000, 0.0000000000000000, 0.0005416100000000 ] - [ -0.0002765700000000, 0.0000000000000000, 0.0002267400000000 ] - [ -0.0000816900000000, 0.0000000000000000, 0.0004206600000000 ] - [ -0.1092626100000000, 0.0000000000000000, 0.1297850100000000 ] - [ -0.0009770400000000, 0.0000000000000000, 0.0004403600000000 ] - [ -0.0000977700000000, 0.0000000000000000, -0.0005940300000000 ] - [ -0.0000311600000000, 0.0000000000000000, -0.0005975500000000 ] - [ 0.0006487800000000, 0.0000000000000000, -0.0001524000000000 ] - [ 0.0007050000000000, 0.0000000000000000, -0.0004954900000000 ] - [ 0.0052393300000000, 0.0000000000000000, 0.0017328700000000 ] - [ 0.0004306600000000, 0.0000000000000000, 0.0007854900000000 ] - [ 0.0025929900000000, 0.0000000000000000, 0.0003096800000000 ] - [ 0.0006617400000000, 0.0000000000000000, -0.0004446100000000 ] - [ 0.0008443400000000, 0.0000000000000000, 0.0000389800000000 ] - [ 0.0003670800000000, 0.0000000000000000, -0.0004717400000000 ] - [ 0.0011606000000000, -0.0004447200000000, -0.0016467300000000 ] - [ 0.0011565800000000, -0.0014182400000000, -0.0020308900000000 ] - [ 0.0002272400000000, 0.0000342800000000, 0.0003138500000000 ] - [ 0.0001983900000000, 0.0001462000000000, 0.0004425500000000 ] - [ 0.0054520600000000, -0.0176676200000000, -0.0271864400000000 ] - [ -0.0009232700000000, 0.0011529100000000, 0.0007566400000000 ] - [ -0.0004107600000000, -0.0001273900000000, -0.0000165300000000 ] - [ -0.0003316500000000, -0.0002380900000000, -0.0000472200000000 ] - [ 0.0054520600000000, 0.0176676200000000, -0.0271864400000000 ] - [ -0.0009232700000000, -0.0011529100000000, 0.0007566400000000 ] - [ -0.0004107600000000, 0.0001273900000000, -0.0000165300000000 ] - [ -0.0003316500000000, 0.0002380900000000, -0.0000472200000000 ] - [ -0.0000968000000000, -0.0016578000000000, 0.0008789600000000 ] - [ 0.0000155100000000, 0.0000097000000000, -0.0003230200000000 ] - [ 0.0002217600000000, -0.0008500600000000, -0.0020014800000000 ] - [ 0.0008282300000000, 0.0007026400000000, -0.0009943400000000 ] - [ 0.0038664800000000, -0.0000223100000000, 0.0022459400000000 ] - [ 0.0038664800000000, 0.0000223100000000, 0.0022459400000000 ] - [ 0.0002873300000000, -0.0000438700000000, 0.0007101300000000 ] - [ 0.0002873300000000, 0.0000438700000000, 0.0007101300000000 ] - [ 0.0016476400000000, -0.0009824400000000, 0.0004263100000000 ] - [ 0.0016476400000000, 0.0009824400000000, 0.0004263100000000 ] - [ 0.0002287800000000, -0.0000798400000000, -0.0005697600000000 ] - [ 0.0002287800000000, 0.0000798400000000, -0.0005697600000000 ] - [ -0.0003920000000000, -0.0002577600000000, -0.0000083300000000 ] - [ -0.0003920000000000, 0.0002577600000000, -0.0000083300000000 ] - [ -0.0004486600000000, -0.0022770300000000, -0.0015947000000000 ] - [ -0.0004486600000000, 0.0022770300000000, -0.0015947000000000 ] - [ -0.0024787300000000, -0.0002600100000000, -0.0020313900000000 ] - [ -0.0024787300000000, 0.0002600100000000, -0.0020313900000000 ] - [ -0.0014616300000000, -0.0001738100000000, -0.0018212100000000 ] - [ -0.0014616300000000, 0.0001738100000000, -0.0018212100000000 ] - [ -0.0000968000000000, 0.0016578000000000, 0.0008789600000000 ] - [ 0.0000155100000000, -0.0000097000000000, -0.0003230200000000 ] - [ 0.0002217600000000, 0.0008500600000000, -0.0020014800000000 ] - [ 0.0008282300000000, -0.0007026400000000, -0.0009943400000000 ] - [ 0.0021239000000000, -0.0023679500000000, 0.0018506900000000 ] - [ 0.0000348300000000, 0.0006155800000000, 0.0009062000000000 ] - [ 0.0000308300000000, -0.0005092200000000, -0.0003197700000000 ] - [ -0.0001079400000000, -0.0002523000000000, -0.0001477600000000 ] - [ 0.0021239000000000, 0.0023679500000000, 0.0018506900000000 ] - [ 0.0000348300000000, -0.0006155800000000, 0.0009062000000000 ] - [ 0.0000308300000000, 0.0005092200000000, -0.0003197700000000 ] - [ -0.0001079400000000, 0.0002523000000000, -0.0001477600000000 ] - [ 0.0960303700000000, 0.0000000000000000, -0.0970137800000000 ] - [ 0.0022856800000000, 0.0000000000000000, -0.0008775000000000 ] - [ 0.0003542700000000, 0.0000000000000000, 0.0006579100000000 ] - [ 0.0000778100000000, 0.0000000000000000, 0.0005730900000000 ] - [ -0.0026984600000000, 0.0000000000000000, 0.0004939400000000 ] - [ -0.0018293600000000, 0.0000000000000000, 0.0002123500000000 ] - [ -0.0002112800000000, 0.0000000000000000, -0.0016428900000000 ] - [ -0.0002031600000000, 0.0000000000000000, -0.0008050700000000 ] - [ -0.0043556900000000, 0.0030981700000000, -0.0019730900000000 ] - [ -0.0043556900000000, -0.0030981700000000, -0.0019730900000000 ] - [ -0.0006322900000000, 0.0002293900000000, 0.0004221600000000 ] - [ -0.0006322900000000, -0.0002293900000000, 0.0004221600000000 ] - [ 0.0021237800000000, 0.0015056300000000, 0.0007364600000000 ] - [ 0.0021237800000000, -0.0015056300000000, 0.0007364600000000 ] - [ 0.0003996700000000, 0.0014191800000000, 0.0025223700000000 ] - [ 0.0003996700000000, -0.0014191800000000, 0.0025223700000000 ] - [ -0.0017988600000000, -0.0060883600000000, 0.0070470600000000 ] - [ -0.0017988600000000, 0.0060883600000000, 0.0070470600000000 ] - [ 0.0009954100000000, 0.0001277900000000, -0.0000523400000000 ] - [ 0.0009954100000000, -0.0001277900000000, -0.0000523400000000 ] - [ -0.0075963400000000, 0.0000000000000000, -0.0062320000000000 ] - [ 0.0001700900000000, 0.0000000000000000, -0.0008669400000000 ] - [ -0.0010164200000000, 0.0000000000000000, 0.0025297400000000 ] - [ -0.0005170000000000, 0.0000000000000000, 0.0011638400000000 ] - [ 0.0011280000000000, 0.0000000000000000, 0.0007578000000000 ] - [ -0.0002949300000000, 0.0000000000000000, -0.0005702100000000 ] - [ -0.0001325400000000, 0.0000000000000000, 0.0000672500000000 ] - [ -0.0001564400000000, 0.0000000000000000, 0.0004252700000000 ] - [ 0.0011226600000000, -0.0032018500000000, -0.0035171700000000 ] - [ 0.0011226600000000, 0.0032018500000000, -0.0035171700000000 ] - [ 0.0000871500000000, 0.0001317500000000, 0.0008393300000000 ] - [ 0.0000871500000000, -0.0001317500000000, 0.0008393300000000 ]- atom: 9 displacement: [ -0.0099999156518758, 0.0000000000000000, -0.0000410725622434 ] forces: - [ -0.0006482600000000, -0.0008287000000000, 0.0012215100000000 ] - [ -0.0006427400000000, -0.0017951900000000, 0.0016122900000000 ] - [ 0.0002882000000000, -0.0003347800000000, -0.0007394800000000 ] - [ 0.0003091500000000, -0.0002369100000000, -0.0008578600000000 ] - [ 0.0031846700000000, 0.0000000000000000, -0.0204864000000000 ] - [ 0.0013524400000000, 0.0000000000000000, 0.0010799700000000 ] - [ 0.0007582000000000, 0.0000000000000000, 0.0013796900000000 ] - [ 0.0005677700000000, 0.0000000000000000, 0.0011899600000000 ] - [ 0.1079826800000000, 0.0000000000000000, -0.1316398300000000 ] - [ 0.0009883700000000, 0.0000000000000000, -0.0008713900000000 ] - [ 0.0001139700000000, 0.0000000000000000, 0.0001440000000000 ] - [ 0.0000482400000000, 0.0000000000000000, 0.0001486800000000 ] - [ -0.0006627000000000, 0.0000000000000000, 0.0005841400000000 ] - [ -0.0007176500000000, 0.0000000000000000, 0.0009297400000000 ] - [ -0.0052264200000000, 0.0000000000000000, -0.0013225100000000 ] - [ -0.0004469100000000, 0.0000000000000000, -0.0003389000000000 ] - [ -0.0030996600000000, 0.0000000000000000, -0.0019366800000000 ] - [ -0.0011503000000000, 0.0000000000000000, -0.0011724700000000 ] - [ -0.0013360600000000, 0.0000000000000000, -0.0016694100000000 ] - [ -0.0008555000000000, 0.0000000000000000, -0.0011462400000000 ] - [ -0.0006482600000000, 0.0008287000000000, 0.0012215100000000 ] - [ -0.0006427400000000, 0.0017951900000000, 0.0016122900000000 ] - [ 0.0002882000000000, 0.0003347800000000, -0.0007394800000000 ] - [ 0.0003091500000000, 0.0002369100000000, -0.0008578600000000 ] - [ -0.0058971200000000, 0.0174446900000000, 0.0277997000000000 ] - [ 0.0004119000000000, -0.0015258700000000, -0.0003317800000000 ] - [ -0.0000985100000000, -0.0002539700000000, 0.0004249500000000 ] - [ -0.0001760100000000, -0.0001467400000000, 0.0004559300000000 ] - [ -0.0058971200000000, -0.0174446900000000, 0.0277997000000000 ] - [ 0.0004119000000000, 0.0015258700000000, -0.0003317800000000 ] - [ -0.0000985100000000, 0.0002539700000000, 0.0004249500000000 ] - [ -0.0001760100000000, 0.0001467400000000, 0.0004559300000000 ] - [ 0.0006005400000000, 0.0012886800000000, -0.0013077400000000 ] - [ 0.0004905600000000, -0.0003969800000000, -0.0000934900000000 ] - [ 0.0002813900000000, 0.0004562900000000, 0.0015679400000000 ] - [ -0.0003159500000000, -0.0010744100000000, 0.0005741300000000 ] - [ -0.0033543300000000, 0.0000282000000000, -0.0006166200000000 ] - [ -0.0033543300000000, -0.0000282000000000, -0.0006166200000000 ] - [ 0.0001993000000000, 0.0000420300000000, 0.0009014100000000 ] - [ 0.0001993000000000, -0.0000420300000000, 0.0009014100000000 ] - [ -0.0016290000000000, 0.0009721700000000, -0.0008446200000000 ] - [ -0.0016290000000000, -0.0009721700000000, -0.0008446200000000 ] - [ -0.0002117700000000, 0.0000797700000000, 0.0001204800000000 ] - [ -0.0002117700000000, -0.0000797700000000, 0.0001204800000000 ] - [ 0.0003774200000000, 0.0002596500000000, 0.0004417300000000 ] - [ 0.0003774200000000, -0.0002596500000000, 0.0004417300000000 ] - [ 0.0004254100000000, 0.0022581500000000, 0.0020340800000000 ] - [ 0.0004254100000000, -0.0022581500000000, 0.0020340800000000 ] - [ 0.0019874800000000, 0.0002678100000000, 0.0004064400000000 ] - [ 0.0019874800000000, -0.0002678100000000, 0.0004064400000000 ] - [ 0.0009627400000000, 0.0001695700000000, 0.0001969000000000 ] - [ 0.0009627400000000, -0.0001695700000000, 0.0001969000000000 ] - [ 0.0006005400000000, -0.0012886800000000, -0.0013077400000000 ] - [ 0.0004905600000000, 0.0003969800000000, -0.0000934900000000 ] - [ 0.0002813900000000, -0.0004562900000000, 0.0015679400000000 ] - [ -0.0003159500000000, 0.0010744100000000, 0.0005741300000000 ] - [ -0.0026376500000000, 0.0019938600000000, -0.0013939300000000 ] - [ -0.0005463600000000, -0.0009921600000000, -0.0004802200000000 ] - [ -0.0005373600000000, 0.0001228900000000, 0.0007250100000000 ] - [ -0.0004006000000000, -0.0001284700000000, 0.0005576900000000 ] - [ -0.0026376500000000, -0.0019938600000000, -0.0013939300000000 ] - [ -0.0005463600000000, 0.0009921600000000, -0.0004802200000000 ] - [ -0.0005373600000000, -0.0001228900000000, 0.0007250100000000 ] - [ -0.0004006000000000, 0.0001284700000000, 0.0005576900000000 ] - [ -0.0956039800000000, 0.0000000000000000, 0.0981168700000000 ] - [ -0.0026375400000000, 0.0000000000000000, 0.0006622000000000 ] - [ -0.0007132600000000, 0.0000000000000000, -0.0008393200000000 ] - [ -0.0004412300000000, 0.0000000000000000, -0.0007602900000000 ] - [ 0.0030572200000000, 0.0000000000000000, -0.0002757200000000 ] - [ 0.0021837700000000, 0.0000000000000000, -0.0000088700000000 ] - [ 0.0005544000000000, 0.0000000000000000, 0.0018744800000000 ] - [ 0.0005657600000000, 0.0000000000000000, 0.0010014300000000 ] - [ 0.0039820400000000, -0.0030920800000000, 0.0017369400000000 ] - [ 0.0039820400000000, 0.0030920800000000, 0.0017369400000000 ] - [ 0.0002678900000000, -0.0002251200000000, -0.0006071500000000 ] - [ 0.0002678900000000, 0.0002251200000000, -0.0006071500000000 ] - [ -0.0017586700000000, -0.0015239300000000, -0.0005208600000000 ] - [ -0.0017586700000000, 0.0015239300000000, -0.0005208600000000 ] - [ -0.0000302100000000, -0.0013952900000000, -0.0023161400000000 ] - [ -0.0000302100000000, 0.0013952900000000, -0.0023161400000000 ] - [ 0.0017774000000000, 0.0060326300000000, -0.0070176500000000 ] - [ 0.0017774000000000, -0.0060326300000000, -0.0070176500000000 ] - [ -0.0009903300000000, -0.0001192600000000, 0.0000682600000000 ] - [ -0.0009903300000000, 0.0001192600000000, 0.0000682600000000 ] - [ 0.0077483000000000, 0.0000000000000000, 0.0062301900000000 ] - [ -0.0001667200000000, 0.0000000000000000, 0.0008539100000000 ] - [ 0.0010188900000000, 0.0000000000000000, -0.0024901800000000 ] - [ 0.0005147900000000, 0.0000000000000000, -0.0011499200000000 ] - [ -0.0006578800000000, 0.0000000000000000, -0.0009223200000000 ] - [ 0.0002948800000000, 0.0000000000000000, 0.0005595400000000 ] - [ 0.0001322500000000, 0.0000000000000000, -0.0000506900000000 ] - [ 0.0001566400000000, 0.0000000000000000, -0.0004150100000000 ] - [ -0.0011521100000000, 0.0031679500000000, 0.0034796000000000 ] - [ -0.0011521100000000, -0.0031679500000000, 0.0034796000000000 ] - [ -0.0000881500000000, -0.0001335900000000, -0.0008267800000000 ] - [ -0.0000881500000000, 0.0001335900000000, -0.0008267800000000 ]- atom: 9 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0006494900000000, -0.0017270900000000, 0.0016634600000000 ] - [ 0.0012755700000000, 0.0023340300000000, -0.0021780600000000 ] - [ -0.0004160800000000, -0.0013038500000000, -0.0010335300000000 ] - [ 0.0007288000000000, 0.0009805700000000, 0.0005037400000000 ] - [ 0.0002136900000000, -0.0112791000000000, 0.0007103300000000 ] - [ 0.0002483600000000, 0.0010234500000000, 0.0008134200000000 ] - [ 0.0002438900000000, -0.0002436100000000, 0.0008052800000000 ] - [ 0.0002432700000000, 0.0002424700000000, 0.0008049500000000 ] - [ -0.0001036000000000, -0.0555721600000000, 0.0006527000000000 ] - [ 0.0000078200000000, 0.0020570800000000, -0.0002146700000000 ] - [ 0.0000089600000000, -0.0002072000000000, -0.0002247900000000 ] - [ 0.0000088600000000, 0.0002068100000000, -0.0002247900000000 ] - [ -0.0000082100000000, -0.0006277900000000, 0.0002174700000000 ] - [ -0.0000064800000000, 0.0006683700000000, 0.0002184800000000 ] - [ -0.0000068500000000, -0.0015935600000000, 0.0002240800000000 ] - [ -0.0000113900000000, 0.0016815700000000, 0.0002182400000000 ] - [ -0.0002566100000000, -0.0008250100000000, -0.0008137500000000 ] - [ -0.0002436700000000, 0.0006863700000000, -0.0008071400000000 ] - [ -0.0002465300000000, -0.0004867800000000, -0.0008084400000000 ] - [ -0.0002478700000000, 0.0004405100000000, -0.0008119100000000 ] - [ 0.0011588500000000, -0.0013417800000000, -0.0020810900000000 ] - [ -0.0007640000000000, 0.0027078900000000, 0.0017587400000000 ] - [ 0.0009218100000000, -0.0009199200000000, 0.0006133500000000 ] - [ -0.0002199200000000, 0.0013619700000000, -0.0009305200000000 ] - [ -0.0189424700000000, 0.0066687900000000, 0.0284757000000000 ] - [ -0.0011826800000000, 0.0033441900000000, 0.0004282100000000 ] - [ -0.0001300400000000, -0.0005959300000000, -0.0000443800000000 ] - [ -0.0003783500000000, 0.0002215200000000, 0.0004507800000000 ] - [ 0.0182413200000000, 0.0070838700000000, -0.0278951800000000 ] - [ 0.0006713700000000, 0.0037194300000000, 0.0000046400000000 ] - [ -0.0003773600000000, -0.0002122800000000, 0.0004530000000000 ] - [ -0.0001289000000000, 0.0006053200000000, -0.0000418200000000 ] - [ -0.0000387700000000, -0.0009515500000000, -0.0000482300000000 ] - [ 0.0006678100000000, 0.0003699900000000, -0.0002001200000000 ] - [ -0.0005263500000000, -0.0012998700000000, 0.0008315000000000 ] - [ 0.0012797900000000, 0.0011084200000000, -0.0016025500000000 ] - [ 0.0020749200000000, 0.0008797600000000, 0.0008589600000000 ] - [ -0.0015780800000000, 0.0008746700000000, 0.0007635400000000 ] - [ 0.0005758600000000, 0.0000043900000000, 0.0010579500000000 ] - [ -0.0000903400000000, 0.0000043900000000, 0.0005528600000000 ] - [ 0.0009810300000000, 0.0001633100000000, -0.0003152800000000 ] - [ -0.0009746400000000, 0.0001584200000000, -0.0001073300000000 ] - [ 0.0000879900000000, 0.0000015300000000, -0.0002004600000000 ] - [ -0.0000715300000000, 0.0000005900000000, -0.0002478100000000 ] - [ -0.0002638000000000, -0.0000307000000000, -0.0002240800000000 ] - [ 0.0002498600000000, -0.0000334400000000, 0.0006599500000000 ] - [ -0.0022818100000000, 0.0019382400000000, 0.0037768900000000 ] - [ 0.0022832600000000, 0.0019528100000000, -0.0033571000000000 ] - [ -0.0020792400000000, 0.0001312500000000, -0.0023323500000000 ] - [ 0.0015906100000000, 0.0001225700000000, 0.0007122000000000 ] - [ 0.0002109700000000, -0.0000302800000000, 0.0003798200000000 ] - [ -0.0007040000000000, -0.0000305300000000, -0.0020032000000000 ] - [ 0.0005441100000000, -0.0005855900000000, -0.0003824800000000 ] - [ -0.0001617200000000, 0.0007592000000000, -0.0002142900000000 ] - [ 0.0010381400000000, -0.0009225100000000, -0.0012523300000000 ] - [ -0.0007669500000000, 0.0014849900000000, 0.0011798400000000 ] - [ -0.0003659800000000, -0.0012710400000000, -0.0007616100000000 ] - [ -0.0008280900000000, 0.0011464500000000, 0.0007407200000000 ] - [ -0.0001711100000000, -0.0004140000000000, 0.0001739500000000 ] - [ -0.0003417400000000, 0.0000441600000000, 0.0002402000000000 ] - [ -0.0001528200000000, -0.0009096400000000, 0.0012000200000000 ] - [ 0.0003197800000000, 0.0015301000000000, -0.0003173800000000 ] - [ -0.0003368100000000, -0.0000310500000000, 0.0002352700000000 ] - [ -0.0001659600000000, 0.0004278400000000, 0.0001688400000000 ] - [ 0.0001359400000000, 0.0608684200000000, -0.0010319300000000 ] - [ -0.0001791400000000, -0.0054877700000000, -0.0001140800000000 ] - [ -0.0001820300000000, 0.0007210200000000, -0.0000946800000000 ] - [ -0.0001818500000000, -0.0007173100000000, -0.0000948900000000 ] - [ 0.0001838700000000, 0.0034311700000000, 0.0001087700000000 ] - [ 0.0001772500000000, -0.0031109300000000, 0.0001014800000000 ] - [ 0.0001870300000000, 0.0027637800000000, 0.0000975300000000 ] - [ 0.0001821500000000, -0.0022928000000000, 0.0001090000000000 ] - [ -0.0018161100000000, -0.0008544300000000, -0.0001435600000000 ] - [ 0.0014561600000000, -0.0008364200000000, -0.0000851300000000 ] - [ -0.0004607200000000, -0.0000003900000000, -0.0002942300000000 ] - [ 0.0000990400000000, 0.0000008100000000, 0.0001046400000000 ] - [ 0.0018505100000000, 0.0001817600000000, 0.0013530500000000 ] - [ -0.0014905300000000, 0.0002036600000000, -0.0011381200000000 ] - [ 0.0020586900000000, 0.0003057800000000, -0.0041106000000000 ] - [ -0.0017031000000000, 0.0003086000000000, 0.0043270500000000 ] - [ -0.0014035400000000, -0.0071684600000000, 0.0086832600000000 ] - [ 0.0013909600000000, -0.0071265500000000, -0.0086787400000000 ] - [ -0.0006458900000000, -0.0001008400000000, -0.0013271800000000 ] - [ 0.0006489100000000, -0.0000978000000000, 0.0013475600000000 ] - [ 0.0000715300000000, 0.0031799000000000, 0.0000126800000000 ] - [ -0.0000020500000000, -0.0024051700000000, -0.0000072600000000 ] - [ -0.0000005600000000, 0.0014411500000000, 0.0000071100000000 ] - [ 0.0000016300000000, -0.0015668100000000, 0.0000080700000000 ] - [ -0.0000112400000000, 0.0043389800000000, -0.0000074700000000 ] - [ -0.0000010700000000, -0.0021368600000000, -0.0000046400000000 ] - [ 0.0000000700000000, 0.0003117900000000, 0.0000073100000000 ] - [ 0.0000001500000000, -0.0003287900000000, 0.0000044900000000 ] - [ -0.0040698300000000, -0.0047798800000000, -0.0041820400000000 ] - [ 0.0040481700000000, -0.0047076600000000, 0.0041597200000000 ] - [ -0.0000717800000000, -0.0000155600000000, 0.0003778200000000 ] - [ 0.0000709200000000, -0.0000134400000000, -0.0003673800000000 ]- atom: 9 displacement: [ -0.0005882137232583, 0.0000000000000000, 0.0099826852407441 ] forces: - [ -0.0003358900000000, 0.0001470600000000, 0.0017277500000000 ] - [ -0.0008202700000000, -0.0020488500000000, 0.0018305700000000 ] - [ 0.0007949300000000, -0.0018563600000000, 0.0023891700000000 ] - [ 0.0004537400000000, 0.0001077000000000, 0.0000682700000000 ] - [ 0.0146028400000000, 0.0000000000000000, 0.0340674200000000 ] - [ 0.0000728100000000, 0.0000000000000000, -0.0004036500000000 ] - [ 0.0013291200000000, 0.0000000000000000, 0.0025997900000000 ] - [ 0.0009352400000000, 0.0000000000000000, 0.0019942100000000 ] - [ 0.1432596100000000, 0.0000000000000000, -0.4332288500000000 ] - [ 0.0007346800000000, 0.0000000000000000, -0.0031274400000000 ] - [ -0.0003612300000000, 0.0000000000000000, 0.0018108800000000 ] - [ -0.0003675200000000, 0.0000000000000000, 0.0014499100000000 ] - [ -0.0004239200000000, 0.0000000000000000, 0.0023008600000000 ] - [ -0.0007690100000000, 0.0000000000000000, 0.0016275000000000 ] - [ 0.0011968000000000, 0.0000000000000000, 0.0021044800000000 ] - [ 0.0005271100000000, 0.0000000000000000, 0.0001084300000000 ] - [ 0.0021734800000000, 0.0000000000000000, 0.0009866100000000 ] - [ -0.0009007400000000, 0.0000000000000000, -0.0009640200000000 ] - [ 0.0012193800000000, 0.0000000000000000, 0.0011011300000000 ] - [ 0.0000894300000000, 0.0000000000000000, -0.0003607800000000 ] - [ -0.0003358900000000, -0.0001470600000000, 0.0017277500000000 ] - [ -0.0008202700000000, 0.0020488500000000, 0.0018305700000000 ] - [ 0.0007949300000000, 0.0018563600000000, 0.0023891700000000 ] - [ 0.0004537400000000, -0.0001077000000000, 0.0000682700000000 ] - [ -0.0155948100000000, 0.0154598000000000, 0.0165601200000000 ] - [ 0.0005649600000000, -0.0021812200000000, -0.0027465200000000 ] - [ -0.0004483700000000, 0.0001246600000000, 0.0019643500000000 ] - [ -0.0005183500000000, 0.0004328200000000, 0.0018860400000000 ] - [ -0.0155948100000000, -0.0154598000000000, 0.0165601200000000 ] - [ 0.0005649600000000, 0.0021812200000000, -0.0027465200000000 ] - [ -0.0004483700000000, -0.0001246600000000, 0.0019643500000000 ] - [ -0.0005183500000000, -0.0004328200000000, 0.0018860400000000 ] - [ 0.0008019300000000, -0.0022720100000000, 0.0022117100000000 ] - [ 0.0007848700000000, 0.0010182000000000, -0.0000060300000000 ] - [ -0.0002202900000000, -0.0000130300000000, 0.0015733200000000 ] - [ -0.0008638500000000, -0.0017831300000000, 0.0012152000000000 ] - [ -0.0029115600000000, -0.0012766200000000, -0.0012203200000000 ] - [ -0.0029115600000000, 0.0012766200000000, -0.0012203200000000 ] - [ 0.0012974900000000, 0.0001860400000000, 0.0022778100000000 ] - [ 0.0012974900000000, -0.0001860400000000, 0.0022778100000000 ] - [ 0.0005639800000000, 0.0001612100000000, -0.0038746200000000 ] - [ 0.0005639800000000, -0.0001612100000000, -0.0038746200000000 ] - [ -0.0003559200000000, -0.0000189800000000, 0.0015771000000000 ] - [ -0.0003559200000000, 0.0000189800000000, 0.0015771000000000 ] - [ -0.0002200100000000, -0.0004278100000000, 0.0020443000000000 ] - [ -0.0002200100000000, 0.0004278100000000, 0.0020443000000000 ] - [ -0.0018034100000000, 0.0036873000000000, 0.0024465000000000 ] - [ -0.0018034100000000, -0.0036873000000000, 0.0024465000000000 ] - [ 0.0008488400000000, -0.0013390500000000, 0.0008501000000000 ] - [ 0.0008488400000000, 0.0013390500000000, 0.0008501000000000 ] - [ 0.0006235000000000, 0.0004420700000000, 0.0007126200000000 ] - [ 0.0006235000000000, -0.0004420700000000, 0.0007126200000000 ] - [ 0.0008019300000000, 0.0022720100000000, 0.0022117100000000 ] - [ 0.0007848700000000, -0.0010182000000000, -0.0000060300000000 ] - [ -0.0002202900000000, 0.0000130300000000, 0.0015733200000000 ] - [ -0.0008638500000000, 0.0017831300000000, 0.0012152000000000 ] - [ 0.0012549500000000, -0.0022946900000000, -0.0042510800000000 ] - [ -0.0003489400000000, 0.0000868800000000, -0.0016625100000000 ] - [ -0.0005556100000000, 0.0004414900000000, 0.0020941800000000 ] - [ -0.0004518100000000, 0.0000737300000000, 0.0016446700000000 ] - [ 0.0012549500000000, 0.0022946900000000, -0.0042510800000000 ] - [ -0.0003489400000000, -0.0000868800000000, -0.0016625100000000 ] - [ -0.0005556100000000, -0.0004414900000000, 0.0020941800000000 ] - [ -0.0004518100000000, -0.0000737300000000, 0.0016446700000000 ] - [ -0.1121376400000000, 0.0000000000000000, 0.3667052000000000 ] - [ -0.0023186000000000, 0.0000000000000000, 0.0044859900000000 ] - [ -0.0002056900000000, 0.0000000000000000, -0.0037024900000000 ] - [ 0.0001367300000000, 0.0000000000000000, -0.0028166400000000 ] - [ 0.0008864700000000, 0.0000000000000000, -0.0037896300000000 ] - [ 0.0021612400000000, 0.0000000000000000, -0.0010729300000000 ] - [ -0.0021024100000000, 0.0000000000000000, -0.0049862500000000 ] - [ -0.0003657000000000, 0.0000000000000000, -0.0000610500000000 ] - [ 0.0007267400000000, 0.0017264100000000, 0.0062710500000000 ] - [ 0.0007267400000000, -0.0017264100000000, 0.0062710500000000 ] - [ -0.0000628500000000, -0.0003071900000000, -0.0031546600000000 ] - [ -0.0000628500000000, 0.0003071900000000, -0.0031546600000000 ] - [ -0.0005244100000000, 0.0029229800000000, -0.0032445100000000 ] - [ -0.0005244100000000, -0.0029229800000000, -0.0032445100000000 ] - [ 0.0015957900000000, -0.0018912700000000, -0.0039988800000000 ] - [ 0.0015957900000000, 0.0018912700000000, -0.0039988800000000 ] - [ 0.0031460200000000, 0.0098478200000000, -0.0057352000000000 ] - [ 0.0031460200000000, -0.0098478200000000, -0.0057352000000000 ] - [ -0.0009221000000000, -0.0017929900000000, -0.0045118200000000 ] - [ -0.0009221000000000, 0.0017929900000000, -0.0045118200000000 ] - [ -0.0192355700000000, 0.0000000000000000, -0.0022716700000000 ] - [ 0.0001344400000000, 0.0000000000000000, 0.0021707300000000 ] - [ -0.0006284700000000, 0.0000000000000000, -0.0051387600000000 ] - [ 0.0000197900000000, 0.0000000000000000, -0.0032374200000000 ] - [ 0.0037539900000000, 0.0000000000000000, 0.0047198600000000 ] - [ 0.0004607500000000, 0.0000000000000000, 0.0027494900000000 ] - [ 0.0001158200000000, 0.0000000000000000, -0.0032596800000000 ] - [ 0.0000280100000000, 0.0000000000000000, -0.0022427000000000 ] - [ -0.0036592300000000, -0.0050168900000000, 0.0057415800000000 ] - [ -0.0036592300000000, 0.0050168900000000, 0.0057415800000000 ] - [ 0.0001493300000000, 0.0002287900000000, -0.0028395400000000 ] - [ 0.0001493300000000, -0.0002287900000000, -0.0028395400000000 ]- atom: 9 displacement: [ 0.0005882137232583, 0.0000000000000000, -0.0099826852407441 ] forces: - [ 0.0008469600000000, -0.0005247600000000, -0.0021444400000000 ] - [ 0.0013260600000000, 0.0016634400000000, -0.0022444800000000 ] - [ -0.0002933400000000, 0.0014771300000000, -0.0028046200000000 ] - [ 0.0000531500000000, -0.0004915000000000, -0.0004789400000000 ] - [ -0.0138711500000000, 0.0000000000000000, -0.0316828900000000 ] - [ 0.0004126600000000, 0.0000000000000000, 0.0020149300000000 ] - [ -0.0008367000000000, 0.0000000000000000, -0.0009800400000000 ] - [ -0.0004436200000000, 0.0000000000000000, -0.0003748400000000 ] - [ -0.1341660800000000, 0.0000000000000000, 0.4097513800000000 ] - [ -0.0007164400000000, 0.0000000000000000, 0.0026735200000000 ] - [ 0.0003763500000000, 0.0000000000000000, -0.0022512300000000 ] - [ 0.0003838400000000, 0.0000000000000000, -0.0018928600000000 ] - [ 0.0004085100000000, 0.0000000000000000, -0.0018472300000000 ] - [ 0.0007520700000000, 0.0000000000000000, -0.0011799700000000 ] - [ -0.0012171100000000, 0.0000000000000000, -0.0016443500000000 ] - [ -0.0005435300000000, 0.0000000000000000, 0.0003424400000000 ] - [ -0.0026353500000000, 0.0000000000000000, -0.0025893500000000 ] - [ 0.0004091400000000, 0.0000000000000000, -0.0006540800000000 ] - [ -0.0017071800000000, 0.0000000000000000, -0.0027101500000000 ] - [ -0.0005762500000000, 0.0000000000000000, -0.0012523700000000 ] - [ 0.0008469600000000, 0.0005247600000000, -0.0021444400000000 ] - [ 0.0013260600000000, -0.0016634400000000, -0.0022444800000000 ] - [ -0.0002933400000000, -0.0014771300000000, -0.0028046200000000 ] - [ 0.0000531500000000, 0.0004915000000000, -0.0004789400000000 ] - [ 0.0148657200000000, -0.0156812400000000, -0.0160498300000000 ] - [ -0.0010706300000000, 0.0017955400000000, 0.0031538800000000 ] - [ -0.0000602800000000, -0.0005054300000000, -0.0015439200000000 ] - [ 0.0000105100000000, -0.0008158700000000, -0.0014662100000000 ] - [ 0.0148657200000000, 0.0156812400000000, -0.0160498300000000 ] - [ -0.0010706300000000, -0.0017955400000000, 0.0031538800000000 ] - [ -0.0000602800000000, 0.0005054300000000, -0.0015439200000000 ] - [ 0.0000105100000000, 0.0008158700000000, -0.0014662100000000 ] - [ -0.0002915100000000, 0.0018694800000000, -0.0026124600000000 ] - [ -0.0002747700000000, -0.0013918100000000, -0.0004129900000000 ] - [ 0.0007277300000000, -0.0003724200000000, -0.0019830800000000 ] - [ 0.0013703400000000, 0.0013988000000000, -0.0016271200000000 ] - [ 0.0033909800000000, 0.0012735000000000, 0.0028309000000000 ] - [ 0.0033909800000000, -0.0012735000000000, 0.0028309000000000 ] - [ -0.0008060100000000, -0.0001868200000000, -0.0006574400000000 ] - [ -0.0008060100000000, 0.0001868200000000, -0.0006574400000000 ] - [ -0.0005451700000000, -0.0001611100000000, 0.0034214600000000 ] - [ -0.0005451700000000, 0.0001611100000000, 0.0034214600000000 ] - [ 0.0003718100000000, 0.0000185800000000, -0.0020182400000000 ] - [ 0.0003718100000000, -0.0000185800000000, -0.0020182400000000 ] - [ 0.0002007000000000, 0.0004236700000000, -0.0015919300000000 ] - [ 0.0002007000000000, -0.0004236700000000, -0.0015919300000000 ] - [ 0.0017875100000000, -0.0037003900000000, -0.0019857300000000 ] - [ 0.0017875100000000, 0.0037003900000000, -0.0019857300000000 ] - [ -0.0013432900000000, 0.0013314600000000, -0.0024672200000000 ] - [ -0.0013432900000000, -0.0013314600000000, -0.0024672200000000 ] - [ -0.0011097200000000, -0.0004434600000000, -0.0023229700000000 ] - [ -0.0011097200000000, 0.0004434600000000, -0.0023229700000000 ] - [ -0.0002915100000000, -0.0018694800000000, -0.0026124600000000 ] - [ -0.0002747700000000, 0.0013918100000000, -0.0004129900000000 ] - [ 0.0007277300000000, 0.0003724200000000, -0.0019830800000000 ] - [ 0.0013703400000000, -0.0013988000000000, -0.0016271200000000 ] - [ -0.0017644200000000, 0.0018989400000000, 0.0046370200000000 ] - [ -0.0001605400000000, -0.0004705200000000, 0.0020722500000000 ] - [ 0.0000477600000000, -0.0008238900000000, -0.0016728100000000 ] - [ -0.0000571500000000, -0.0004542000000000, -0.0012241000000000 ] - [ -0.0017644200000000, -0.0018989400000000, 0.0046370200000000 ] - [ -0.0001605400000000, 0.0004705200000000, 0.0020722500000000 ] - [ 0.0000477600000000, 0.0008238900000000, -0.0016728100000000 ] - [ -0.0000571500000000, 0.0004542000000000, -0.0012241000000000 ] - [ 0.1029887600000000, 0.0000000000000000, -0.3447783700000000 ] - [ 0.0019547600000000, 0.0000000000000000, -0.0046732500000000 ] - [ -0.0001550500000000, 0.0000000000000000, 0.0034954700000000 ] - [ -0.0004990600000000, 0.0000000000000000, 0.0026104800000000 ] - [ -0.0005368200000000, 0.0000000000000000, 0.0039805300000000 ] - [ -0.0017990700000000, 0.0000000000000000, 0.0012745800000000 ] - [ 0.0024863400000000, 0.0000000000000000, 0.0051734800000000 ] - [ 0.0007269200000000, 0.0000000000000000, 0.0002569200000000 ] - [ -0.0010815300000000, -0.0017258100000000, -0.0064569700000000 ] - [ -0.0010815300000000, 0.0017258100000000, -0.0064569700000000 ] - [ -0.0002985000000000, 0.0003083700000000, 0.0029477800000000 ] - [ -0.0002985000000000, -0.0003083700000000, 0.0029477800000000 ] - [ 0.0008922600000000, -0.0028996500000000, 0.0034397500000000 ] - [ 0.0008922600000000, 0.0028996500000000, 0.0034397500000000 ] - [ -0.0012334200000000, 0.0018964100000000, 0.0041875800000000 ] - [ -0.0012334200000000, -0.0018964100000000, 0.0041875800000000 ] - [ -0.0031394100000000, -0.0098350700000000, 0.0057426100000000 ] - [ -0.0031394100000000, 0.0098350700000000, 0.0057426100000000 ] - [ 0.0009201300000000, 0.0017973500000000, 0.0045054300000000 ] - [ 0.0009201300000000, -0.0017973500000000, 0.0045054300000000 ] - [ 0.0190805300000000, 0.0000000000000000, 0.0022752600000000 ] - [ -0.0001336100000000, 0.0000000000000000, -0.0021522700000000 ] - [ 0.0006228000000000, 0.0000000000000000, 0.0051294100000000 ] - [ -0.0000216800000000, 0.0000000000000000, 0.0032285800000000 ] - [ -0.0036558300000000, 0.0000000000000000, -0.0047480600000000 ] - [ -0.0004588800000000, 0.0000000000000000, -0.0027482100000000 ] - [ -0.0001164400000000, 0.0000000000000000, 0.0032492600000000 ] - [ -0.0000289200000000, 0.0000000000000000, 0.0022397500000000 ] - [ 0.0036245100000000, 0.0049605300000000, -0.0057774900000000 ] - [ 0.0036245100000000, -0.0049605300000000, -0.0057774900000000 ] - [ -0.0001483800000000, -0.0002270600000000, 0.0028361100000000 ] - [ -0.0001483800000000, 0.0002270600000000, 0.0028361100000000 ]- atom: 65 displacement: [ 0.0099999156518758, 0.0000000000000000, 0.0000410725622434 ] forces: - [ -0.0035552300000000, -0.0029813500000000, 0.0058086200000000 ] - [ -0.0017627300000000, -0.0046877300000000, 0.0052260600000000 ] - [ 0.0008854000000000, -0.0006069400000000, -0.0005675800000000 ] - [ 0.0002003500000000, -0.0003183800000000, -0.0015027400000000 ] - [ 0.1680979100000000, 0.0000000000000000, 0.1341194100000000 ] - [ 0.0046953800000000, 0.0000000000000000, 0.0026505800000000 ] - [ 0.0006593800000000, 0.0000000000000000, 0.0011657300000000 ] - [ 0.0005793900000000, 0.0000000000000000, 0.0011148500000000 ] - [ 0.0954479800000000, 0.0000000000000000, -0.1012966700000000 ] - [ 0.0024814500000000, 0.0000000000000000, -0.0022055100000000 ] - [ 0.0005453300000000, 0.0000000000000000, -0.0002295300000000 ] - [ 0.0002700000000000, 0.0000000000000000, 0.0001006400000000 ] - [ -0.0028886800000000, 0.0000000000000000, 0.0007528500000000 ] - [ -0.0020277100000000, 0.0000000000000000, 0.0020882700000000 ] - [ -0.0004021700000000, 0.0000000000000000, -0.0020973200000000 ] - [ -0.0003978900000000, 0.0000000000000000, -0.0003459300000000 ] - [ -0.0180945100000000, 0.0000000000000000, -0.0069422000000000 ] - [ -0.0030766600000000, 0.0000000000000000, -0.0016062900000000 ] - [ -0.0010832000000000, 0.0000000000000000, -0.0016759000000000 ] - [ -0.0011205300000000, 0.0000000000000000, -0.0013326800000000 ] - [ -0.0035552300000000, 0.0029813500000000, 0.0058086200000000 ] - [ -0.0017627300000000, 0.0046877300000000, 0.0052260600000000 ] - [ 0.0008854000000000, 0.0006069400000000, -0.0005675800000000 ] - [ 0.0002003500000000, 0.0003183800000000, -0.0015027400000000 ] - [ 0.1211361200000000, -0.0958653900000000, -0.0153960900000000 ] - [ 0.0020914400000000, -0.0064238300000000, -0.0017659900000000 ] - [ 0.0000036700000000, -0.0004730400000000, 0.0003231800000000 ] - [ -0.0001355200000000, -0.0001292800000000, 0.0005039400000000 ] - [ 0.1211361200000000, 0.0958653900000000, -0.0153960900000000 ] - [ 0.0020914400000000, 0.0064238300000000, -0.0017659900000000 ] - [ 0.0000036700000000, 0.0004730400000000, 0.0003231800000000 ] - [ -0.0001355200000000, 0.0001292800000000, 0.0005039400000000 ] - [ 0.0005827200000000, 0.0090151000000000, -0.0081021900000000 ] - [ 0.0005471300000000, -0.0026914000000000, 0.0006155100000000 ] - [ 0.0001638800000000, 0.0002835200000000, 0.0009211400000000 ] - [ -0.0002833800000000, -0.0009662200000000, 0.0004045700000000 ] - [ -0.0112373200000000, 0.0004151100000000, -0.0029403400000000 ] - [ -0.0112373200000000, -0.0004151100000000, -0.0029403400000000 ] - [ 0.0000170100000000, 0.0001268300000000, 0.0007163300000000 ] - [ 0.0000170100000000, -0.0001268300000000, 0.0007163300000000 ] - [ -0.0041707500000000, 0.0016452800000000, 0.0004609400000000 ] - [ -0.0041707500000000, -0.0016452800000000, 0.0004609400000000 ] - [ -0.0004402000000000, 0.0002806700000000, -0.0001426900000000 ] - [ -0.0004402000000000, -0.0002806700000000, -0.0001426900000000 ] - [ 0.0019357700000000, 0.0016733600000000, -0.0003815200000000 ] - [ 0.0019357700000000, -0.0016733600000000, -0.0003815200000000 ] - [ 0.0002138800000000, 0.0018658500000000, 0.0016414500000000 ] - [ 0.0002138800000000, -0.0018658500000000, 0.0016414500000000 ] - [ 0.0101666600000000, 0.0031008700000000, 0.0035292100000000 ] - [ 0.0101666600000000, -0.0031008700000000, 0.0035292100000000 ] - [ 0.0006715100000000, 0.0002316500000000, 0.0000197500000000 ] - [ 0.0006715100000000, -0.0002316500000000, 0.0000197500000000 ] - [ 0.0005827200000000, -0.0090151000000000, -0.0081021900000000 ] - [ 0.0005471300000000, 0.0026914000000000, 0.0006155100000000 ] - [ 0.0001638800000000, -0.0002835200000000, 0.0009211400000000 ] - [ -0.0002833800000000, 0.0009662200000000, 0.0004045700000000 ] - [ -0.0128298900000000, 0.0116569500000000, 0.0053450700000000 ] - [ -0.0017598800000000, -0.0025654600000000, -0.0005201500000000 ] - [ -0.0005715200000000, 0.0002332300000000, 0.0002305100000000 ] - [ -0.0003494500000000, -0.0002905600000000, 0.0003014100000000 ] - [ -0.0128298900000000, -0.0116569500000000, 0.0053450700000000 ] - [ -0.0017598800000000, 0.0025654600000000, -0.0005201500000000 ] - [ -0.0005715200000000, -0.0002332300000000, 0.0002305100000000 ] - [ -0.0003494500000000, 0.0002905600000000, 0.0003014100000000 ] - [ -0.5635518200000000, 0.0000000000000000, 0.0064025800000000 ] - [ -0.0099831700000000, 0.0000000000000000, 0.0018344600000000 ] - [ -0.0009721100000000, 0.0000000000000000, -0.0003177700000000 ] - [ -0.0005687200000000, 0.0000000000000000, -0.0006153500000000 ] - [ 0.0139645700000000, 0.0000000000000000, -0.0002002400000000 ] - [ 0.0062386900000000, 0.0000000000000000, -0.0006016000000000 ] - [ -0.0012685700000000, 0.0000000000000000, 0.0013522300000000 ] - [ 0.0009694900000000, 0.0000000000000000, 0.0010460700000000 ] - [ 0.0149784800000000, -0.0112290200000000, 0.0015004200000000 ] - [ 0.0149784800000000, 0.0112290200000000, 0.0015004200000000 ] - [ 0.0003708900000000, -0.0004758100000000, -0.0002062700000000 ] - [ 0.0003708900000000, 0.0004758100000000, -0.0002062700000000 ] - [ -0.0077814000000000, -0.0108503500000000, 0.0007650000000000 ] - [ -0.0077814000000000, 0.0108503500000000, 0.0007650000000000 ] - [ 0.0003511100000000, -0.0011689200000000, -0.0018923900000000 ] - [ 0.0003511100000000, 0.0011689200000000, -0.0018923900000000 ] - [ 0.0043614800000000, 0.0258707200000000, -0.0314315500000000 ] - [ 0.0043614800000000, -0.0258707200000000, -0.0314315500000000 ] - [ -0.0007707600000000, -0.0008637500000000, 0.0001788100000000 ] - [ -0.0007707600000000, 0.0008637500000000, 0.0001788100000000 ] - [ 0.0785427500000000, 0.0000000000000000, 0.0306297800000000 ] - [ -0.0000563900000000, 0.0000000000000000, -0.0004516300000000 ] - [ 0.0008723600000000, 0.0000000000000000, -0.0011622700000000 ] - [ 0.0005311700000000, 0.0000000000000000, -0.0005142300000000 ] - [ 0.0124269300000000, 0.0000000000000000, -0.0096008700000000 ] - [ -0.0000568300000000, 0.0000000000000000, 0.0004353500000000 ] - [ 0.0006952600000000, 0.0000000000000000, 0.0028329000000000 ] - [ 0.0006776500000000, 0.0000000000000000, 0.0000088800000000 ] - [ -0.0034795400000000, 0.0016440100000000, 0.0104108400000000 ] - [ -0.0034795400000000, -0.0016440100000000, 0.0104108400000000 ] - [ -0.0006233000000000, -0.0004823700000000, -0.0017225500000000 ] - [ -0.0006233000000000, 0.0004823700000000, -0.0017225500000000 ]- atom: 65 displacement: [ -0.0099999156518758, 0.0000000000000000, -0.0000410725622434 ] forces: - [ 0.0040473800000000, 0.0025766000000000, -0.0062181300000000 ] - [ 0.0022520700000000, 0.0042697000000000, -0.0056107700000000 ] - [ -0.0003920900000000, 0.0002112000000000, 0.0001603600000000 ] - [ 0.0003044500000000, -0.0000684900000000, 0.0010844500000000 ] - [ -0.1599924300000000, 0.0000000000000000, -0.1233540400000000 ] - [ -0.0041881900000000, 0.0000000000000000, -0.0010316500000000 ] - [ -0.0001653400000000, 0.0000000000000000, 0.0004557200000000 ] - [ -0.0000882400000000, 0.0000000000000000, 0.0005044000000000 ] - [ -0.0962138300000000, 0.0000000000000000, 0.0997805400000000 ] - [ -0.0024518700000000, 0.0000000000000000, 0.0017488900000000 ] - [ -0.0005293400000000, 0.0000000000000000, -0.0002099100000000 ] - [ -0.0002529000000000, 0.0000000000000000, -0.0005421400000000 ] - [ 0.0028688000000000, 0.0000000000000000, -0.0003060200000000 ] - [ 0.0020000000000000, 0.0000000000000000, -0.0016340700000000 ] - [ 0.0003592800000000, 0.0000000000000000, 0.0025827000000000 ] - [ 0.0003749000000000, 0.0000000000000000, 0.0007920000000000 ] - [ 0.0176476700000000, 0.0000000000000000, 0.0053172600000000 ] - [ 0.0025754000000000, 0.0000000000000000, -0.0000195900000000 ] - [ 0.0005990900000000, 0.0000000000000000, 0.0000757300000000 ] - [ 0.0006313500000000, 0.0000000000000000, -0.0002832200000000 ] - [ 0.0040473800000000, -0.0025766000000000, -0.0062181300000000 ] - [ 0.0022520700000000, -0.0042697000000000, -0.0056107700000000 ] - [ -0.0003920900000000, -0.0002112000000000, 0.0001603600000000 ] - [ 0.0003044500000000, 0.0000684900000000, 0.0010844500000000 ] - [ -0.1237954100000000, 0.1005488100000000, 0.0169430000000000 ] - [ -0.0025845600000000, 0.0060062900000000, 0.0021654300000000 ] - [ -0.0005072800000000, 0.0000863100000000, 0.0000958000000000 ] - [ -0.0003685100000000, -0.0002567100000000, -0.0000851900000000 ] - [ -0.1237954100000000, -0.1005488100000000, 0.0169430000000000 ] - [ -0.0025845600000000, -0.0060062900000000, 0.0021654300000000 ] - [ -0.0005072800000000, -0.0000863100000000, 0.0000958000000000 ] - [ -0.0003685100000000, 0.0002567100000000, -0.0000851900000000 ] - [ -0.0000700500000000, -0.0094328100000000, 0.0077069400000000 ] - [ -0.0000391100000000, 0.0023144300000000, -0.0010359400000000 ] - [ 0.0003433200000000, -0.0006657700000000, -0.0013249800000000 ] - [ 0.0007861900000000, 0.0005751300000000, -0.0008147900000000 ] - [ 0.0117002100000000, -0.0003825600000000, 0.0045322500000000 ] - [ 0.0117002100000000, 0.0003825600000000, 0.0045322500000000 ] - [ 0.0004721400000000, -0.0001264700000000, 0.0009022600000000 ] - [ 0.0004721400000000, 0.0001264700000000, 0.0009022600000000 ] - [ 0.0041872300000000, -0.0016269700000000, -0.0009080600000000 ] - [ 0.0041872300000000, 0.0016269700000000, -0.0009080600000000 ] - [ 0.0004558300000000, -0.0002806600000000, -0.0002973700000000 ] - [ 0.0004558300000000, 0.0002806600000000, -0.0002973700000000 ] - [ -0.0019561700000000, -0.0016776900000000, 0.0008330300000000 ] - [ -0.0019561700000000, 0.0016776900000000, 0.0008330300000000 ] - [ -0.0002235500000000, -0.0018607100000000, -0.0011879500000000 ] - [ -0.0002235500000000, 0.0018607100000000, -0.0011879500000000 ] - [ -0.0106480600000000, -0.0030986500000000, -0.0051515300000000 ] - [ -0.0106480600000000, 0.0030986500000000, -0.0051515300000000 ] - [ -0.0011529100000000, -0.0002306500000000, -0.0016298000000000 ] - [ -0.0011529100000000, 0.0002306500000000, -0.0016298000000000 ] - [ -0.0000700500000000, 0.0094328100000000, 0.0077069400000000 ] - [ -0.0000391100000000, -0.0023144300000000, -0.0010359400000000 ] - [ 0.0003433200000000, 0.0006657700000000, -0.0013249800000000 ] - [ 0.0007861900000000, -0.0005751300000000, -0.0008147900000000 ] - [ 0.0122848800000000, -0.0120298200000000, -0.0049794500000000 ] - [ 0.0012640900000000, 0.0021580900000000, 0.0009229600000000 ] - [ 0.0000666300000000, -0.0006179200000000, 0.0001909200000000 ] - [ -0.0001552700000000, -0.0000956600000000, 0.0001170800000000 ] - [ 0.0122848800000000, 0.0120298200000000, -0.0049794500000000 ] - [ 0.0012640900000000, -0.0021580900000000, 0.0009229600000000 ] - [ 0.0000666300000000, 0.0006179200000000, 0.0001909200000000 ] - [ -0.0001552700000000, 0.0000956600000000, 0.0001170800000000 ] - [ 0.5603870900000000, 0.0000000000000000, -0.0171559400000000 ] - [ 0.0095833500000000, 0.0000000000000000, -0.0020235000000000 ] - [ 0.0006089500000000, 0.0000000000000000, 0.0001074800000000 ] - [ 0.0002065800000000, 0.0000000000000000, 0.0004068600000000 ] - [ -0.0135866500000000, 0.0000000000000000, 0.0004367500000000 ] - [ -0.0058437600000000, 0.0000000000000000, 0.0008071000000000 ] - [ 0.0016637800000000, 0.0000000000000000, -0.0011910100000000 ] - [ -0.0006052300000000, 0.0000000000000000, -0.0008416200000000 ] - [ -0.0153344800000000, 0.0111698000000000, -0.0016982600000000 ] - [ -0.0153344800000000, -0.0111698000000000, -0.0016982600000000 ] - [ -0.0007305600000000, 0.0004745200000000, -0.0000029400000000 ] - [ -0.0007305600000000, -0.0004745200000000, -0.0000029400000000 ] - [ 0.0081558300000000, 0.0108737700000000, -0.0005610200000000 ] - [ 0.0081558300000000, -0.0108737700000000, -0.0005610200000000 ] - [ 0.0000051500000000, 0.0011610800000000, 0.0020830400000000 ] - [ 0.0000051500000000, -0.0011610800000000, 0.0020830400000000 ] - [ -0.0043050600000000, -0.0259413300000000, 0.0314618300000000 ] - [ -0.0043050600000000, 0.0259413300000000, 0.0314618300000000 ] - [ 0.0007678200000000, 0.0008586400000000, -0.0001850800000000 ] - [ 0.0007678200000000, -0.0008586400000000, -0.0001850800000000 ] - [ -0.0784872300000000, 0.0000000000000000, -0.0303857100000000 ] - [ 0.0000431300000000, 0.0000000000000000, 0.0004848000000000 ] - [ -0.0008799500000000, 0.0000000000000000, 0.0011402500000000 ] - [ -0.0005301000000000, 0.0000000000000000, 0.0005035600000000 ] - [ -0.0123494700000000, 0.0000000000000000, 0.0095013800000000 ] - [ 0.0000515100000000, 0.0000000000000000, -0.0004386800000000 ] - [ -0.0006971500000000, 0.0000000000000000, -0.0028464700000000 ] - [ -0.0006765900000000, 0.0000000000000000, -0.0000137500000000 ] - [ 0.0035144800000000, -0.0016645200000000, -0.0104065000000000 ] - [ 0.0035144800000000, 0.0016645200000000, -0.0104065000000000 ] - [ 0.0006240700000000, 0.0004789700000000, 0.0017143500000000 ] - [ 0.0006240700000000, -0.0004789700000000, 0.0017143500000000 ]- atom: 65 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0056352800000000, 0.0080140100000000, -0.0101034700000000 ] - [ -0.0042962300000000, -0.0123570900000000, 0.0091525500000000 ] - [ 0.0008779400000000, 0.0015321000000000, 0.0007661000000000 ] - [ -0.0005249000000000, -0.0023520400000000, -0.0019508700000000 ] - [ -0.0005666900000000, 0.0497298200000000, 0.0001387400000000 ] - [ 0.0002365100000000, -0.0045730400000000, 0.0008022600000000 ] - [ 0.0002460300000000, 0.0003150700000000, 0.0008096000000000 ] - [ 0.0002463300000000, -0.0003244400000000, 0.0008095300000000 ] - [ -0.0004073700000000, 0.0608681700000000, 0.0008515800000000 ] - [ 0.0000074300000000, -0.0054859800000000, -0.0002251300000000 ] - [ 0.0000068900000000, 0.0007208300000000, -0.0002168500000000 ] - [ 0.0000077600000000, -0.0007158000000000, -0.0002186800000000 ] - [ -0.0000074400000000, 0.0034307500000000, 0.0002266700000000 ] - [ -0.0000118300000000, -0.0031096900000000, 0.0002249700000000 ] - [ -0.0000051400000000, 0.0027627500000000, 0.0002147300000000 ] - [ -0.0000068300000000, -0.0022916100000000, 0.0002257100000000 ] - [ -0.0002267400000000, 0.0044213300000000, -0.0007973300000000 ] - [ -0.0002508200000000, -0.0033665700000000, -0.0008115300000000 ] - [ -0.0002443200000000, 0.0005044400000000, -0.0008093000000000 ] - [ -0.0002425400000000, -0.0006545800000000, -0.0008064700000000 ] - [ -0.0051112000000000, 0.0083902600000000, 0.0096844000000000 ] - [ 0.0047992000000000, -0.0119593700000000, -0.0095502900000000 ] - [ -0.0003618500000000, 0.0019029900000000, -0.0011787700000000 ] - [ 0.0010362000000000, -0.0019732600000000, 0.0015422000000000 ] - [ -0.1096950500000000, 0.1914560200000000, 0.0201943800000000 ] - [ 0.0035318400000000, -0.0177650700000000, -0.0038647800000000 ] - [ -0.0005251700000000, 0.0005406900000000, 0.0003271500000000 ] - [ 0.0000281200000000, -0.0009193700000000, 0.0001097500000000 ] - [ 0.1007367200000000, 0.1817595900000000, -0.0171928000000000 ] - [ -0.0040286000000000, -0.0174023100000000, 0.0042489600000000 ] - [ 0.0000115600000000, 0.0009147300000000, 0.0000961300000000 ] - [ -0.0005405700000000, -0.0005423400000000, 0.0003129500000000 ] - [ 0.0024666700000000, 0.0035291600000000, -0.0006206100000000 ] - [ -0.0024909800000000, -0.0034750300000000, -0.0001955900000000 ] - [ 0.0007543200000000, 0.0007517700000000, -0.0009772500000000 ] - [ -0.0002308700000000, -0.0011061000000000, 0.0005633200000000 ] - [ -0.0128994900000000, -0.0045129700000000, -0.0014359000000000 ] - [ 0.0133262500000000, -0.0044841400000000, 0.0030425800000000 ] - [ -0.0000633200000000, 0.0000084600000000, 0.0006754700000000 ] - [ 0.0005587100000000, 0.0000096600000000, 0.0009470900000000 ] - [ -0.0030764100000000, -0.0008481500000000, -0.0021385200000000 ] - [ 0.0030983800000000, -0.0008415400000000, 0.0016827600000000 ] - [ -0.0002216600000000, 0.0000001200000000, 0.0000785600000000 ] - [ 0.0002353000000000, 0.0000015800000000, -0.0005122300000000 ] - [ 0.0014925200000000, 0.0001904800000000, 0.0032263000000000 ] - [ -0.0015127400000000, 0.0001948700000000, -0.0027818000000000 ] - [ 0.0014001300000000, 0.0003070200000000, -0.0015828900000000 ] - [ -0.0014275300000000, 0.0003077400000000, 0.0020402900000000 ] - [ 0.0105349000000000, -0.0020963900000000, 0.0091229800000000 ] - [ -0.0110061200000000, -0.0020967600000000, -0.0107629200000000 ] - [ -0.0003051800000000, 0.0000241300000000, -0.0015286200000000 ] - [ -0.0001836700000000, 0.0000257500000000, -0.0000824900000000 ] - [ -0.0019608500000000, 0.0039328500000000, 0.0002190200000000 ] - [ 0.0029995300000000, -0.0031040300000000, -0.0002251800000000 ] - [ -0.0002474500000000, 0.0011366500000000, 0.0005630000000000 ] - [ 0.0007398300000000, -0.0007266600000000, -0.0009749900000000 ] - [ -0.0022641600000000, 0.0038198100000000, 0.0014995400000000 ] - [ 0.0025989100000000, -0.0048504400000000, -0.0006109500000000 ] - [ -0.0004185800000000, 0.0002095700000000, 0.0003985400000000 ] - [ -0.0000949600000000, -0.0005871200000000, 0.0000274200000000 ] - [ 0.0017589600000000, 0.0042299200000000, -0.0011070400000000 ] - [ -0.0031277700000000, -0.0044877500000000, 0.0010186100000000 ] - [ -0.0000939600000000, 0.0005868100000000, 0.0000232800000000 ] - [ -0.0004182900000000, -0.0002130300000000, 0.0003951600000000 ] - [ 0.0097233300000000, -0.5504343700000000, -0.0030584100000000 ] - [ -0.0001677200000000, 0.0235578800000000, -0.0000933200000000 ] - [ -0.0001795300000000, -0.0012911300000000, -0.0001048600000000 ] - [ -0.0001805400000000, 0.0013414000000000, -0.0001046700000000 ] - [ 0.0001746400000000, -0.0187225500000000, 0.0000865100000000 ] - [ 0.0001857600000000, 0.0150852400000000, 0.0000995300000000 ] - [ 0.0001772200000000, -0.0030897400000000, 0.0001027800000000 ] - [ 0.0001780200000000, 0.0039758100000000, 0.0000966200000000 ] - [ 0.0110107200000000, 0.0018695900000000, 0.0052660200000000 ] - [ -0.0113436200000000, 0.0018437100000000, -0.0054178500000000 ] - [ 0.0002957600000000, 0.0000053800000000, -0.0004098200000000 ] - [ -0.0006567400000000, 0.0000024800000000, 0.0002001200000000 ] - [ -0.0106344200000000, -0.0007466500000000, -0.0077758100000000 ] - [ 0.0110251600000000, -0.0007704700000000, 0.0079838900000000 ] - [ -0.0009893800000000, -0.0000620600000000, 0.0025148000000000 ] - [ 0.0013598100000000, -0.0000675700000000, -0.0023350600000000 ] - [ 0.0167604900000000, 0.0472304800000000, -0.0492834700000000 ] - [ -0.0169371600000000, 0.0473114500000000, 0.0493794300000000 ] - [ 0.0001548300000000, -0.0002094800000000, 0.0014273100000000 ] - [ -0.0001572800000000, -0.0002140300000000, -0.0014436000000000 ] - [ -0.0000240100000000, -0.0128727400000000, -0.0000125900000000 ] - [ 0.0000147100000000, 0.0102328100000000, 0.0000070500000000 ] - [ -0.0000002000000000, -0.0014484500000000, -0.0000046700000000 ] - [ -0.0000013700000000, 0.0014687200000000, -0.0000065600000000 ] - [ 0.0000062400000000, -0.0045354100000000, 0.0000128300000000 ] - [ 0.0000043800000000, 0.0035426400000000, 0.0000024100000000 ] - [ 0.0000006700000000, -0.0016620400000000, -0.0000064800000000 ] - [ 0.0000007700000000, 0.0016858500000000, -0.0000028400000000 ] - [ 0.0025826600000000, 0.0096670600000000, 0.0185995900000000 ] - [ -0.0026573600000000, 0.0097400700000000, -0.0187072600000000 ] - [ 0.0005861600000000, 0.0001296700000000, -0.0024297000000000 ] - [ -0.0005869400000000, 0.0001292000000000, 0.0024190900000000 ]- atom: 65 displacement: [ -0.0005882137232583, 0.0000000000000000, 0.0099826852407441 ] forces: - [ 0.0015755200000000, -0.0028089800000000, -0.0027543900000000 ] - [ 0.0006323000000000, 0.0003234200000000, -0.0005670300000000 ] - [ 0.0002223800000000, 0.0023027100000000, -0.0044991700000000 ] - [ -0.0000024400000000, -0.0005554400000000, -0.0010986900000000 ] - [ 0.1138091600000000, 0.0000000000000000, 0.1785336900000000 ] - [ 0.0011581100000000, 0.0000000000000000, 0.0033533600000000 ] - [ -0.0016316700000000, 0.0000000000000000, -0.0021432200000000 ] - [ -0.0009190500000000, 0.0000000000000000, -0.0011540900000000 ] - [ -0.1000950600000000, 0.0000000000000000, 0.3443161800000000 ] - [ -0.0009223200000000, 0.0000000000000000, 0.0044269400000000 ] - [ 0.0007393400000000, 0.0000000000000000, -0.0037783000000000 ] - [ 0.0006699300000000, 0.0000000000000000, -0.0029148800000000 ] - [ 0.0005666600000000, 0.0000000000000000, -0.0036732600000000 ] - [ 0.0002253300000000, 0.0000000000000000, -0.0010537900000000 ] - [ -0.0017033100000000, 0.0000000000000000, -0.0048135400000000 ] - [ -0.0008873600000000, 0.0000000000000000, 0.0000383200000000 ] - [ -0.0081863700000000, 0.0000000000000000, -0.0046274400000000 ] - [ -0.0000256300000000, 0.0000000000000000, -0.0006944900000000 ] - [ -0.0028177600000000, 0.0000000000000000, -0.0046195400000000 ] - [ -0.0010059800000000, 0.0000000000000000, -0.0017838900000000 ] - [ 0.0015755200000000, 0.0028089800000000, -0.0027543900000000 ] - [ 0.0006323000000000, -0.0003234200000000, -0.0005670300000000 ] - [ 0.0002223800000000, -0.0023027100000000, -0.0044991700000000 ] - [ -0.0000024400000000, 0.0005554400000000, -0.0010986900000000 ] - [ -0.0347755000000000, 0.0396072200000000, 0.0673282200000000 ] - [ -0.0014938100000000, 0.0030272000000000, 0.0050851400000000 ] - [ 0.0001561300000000, -0.0008686500000000, -0.0027679200000000 ] - [ 0.0001857400000000, -0.0011371700000000, -0.0025454200000000 ] - [ -0.0347755000000000, -0.0396072200000000, 0.0673282200000000 ] - [ -0.0014938100000000, -0.0030272000000000, 0.0050851400000000 ] - [ 0.0001561300000000, 0.0008686500000000, -0.0027679200000000 ] - [ 0.0001857400000000, 0.0011371700000000, -0.0025454200000000 ] - [ -0.0002656500000000, 0.0046266200000000, -0.0055789300000000 ] - [ -0.0010670000000000, -0.0031217600000000, -0.0001302100000000 ] - [ 0.0008544300000000, -0.0002638200000000, -0.0032701500000000 ] - [ 0.0019611100000000, 0.0022729900000000, -0.0025802600000000 ] - [ 0.0032176100000000, 0.0016987500000000, 0.0035707400000000 ] - [ 0.0032176100000000, -0.0016987500000000, 0.0035707400000000 ] - [ -0.0015075700000000, -0.0002428800000000, -0.0016559400000000 ] - [ -0.0015075700000000, 0.0002428800000000, -0.0016559400000000 ] - [ -0.0016219600000000, -0.0000687800000000, 0.0059904500000000 ] - [ -0.0016219600000000, 0.0000687800000000, 0.0059904500000000 ] - [ 0.0005616200000000, 0.0001828700000000, -0.0032478000000000 ] - [ 0.0005616200000000, -0.0001828700000000, -0.0032478000000000 ] - [ 0.0005158200000000, 0.0011463000000000, -0.0030491000000000 ] - [ 0.0005158200000000, -0.0011463000000000, -0.0030491000000000 ] - [ 0.0024060200000000, -0.0043217100000000, -0.0038107200000000 ] - [ 0.0024060200000000, 0.0043217100000000, -0.0038107200000000 ] - [ 0.0000625600000000, 0.0041141800000000, -0.0032234600000000 ] - [ 0.0000625600000000, -0.0041141800000000, -0.0032234600000000 ] - [ -0.0017659500000000, -0.0005621500000000, -0.0034656300000000 ] - [ -0.0017659500000000, 0.0005621500000000, -0.0034656300000000 ] - [ -0.0002656500000000, -0.0046266200000000, -0.0055789300000000 ] - [ -0.0010670000000000, 0.0031217600000000, -0.0001302100000000 ] - [ 0.0008544300000000, 0.0002638200000000, -0.0032701500000000 ] - [ 0.0019611100000000, -0.0022729900000000, -0.0025802600000000 ] - [ -0.0056172300000000, 0.0069127200000000, 0.0110030100000000 ] - [ -0.0004316100000000, -0.0007109700000000, 0.0034131600000000 ] - [ 0.0001728400000000, -0.0011541200000000, -0.0029969000000000 ] - [ 0.0000978200000000, -0.0007383000000000, -0.0022288100000000 ] - [ -0.0056172300000000, -0.0069127200000000, 0.0110030100000000 ] - [ -0.0004316100000000, 0.0007109700000000, 0.0034131600000000 ] - [ 0.0001728400000000, 0.0011541200000000, -0.0029969000000000 ] - [ 0.0000978200000000, 0.0007383000000000, -0.0022288100000000 ] - [ 0.0389199500000000, 0.0000000000000000, -0.6808702700000000 ] - [ 0.0023460800000000, 0.0000000000000000, -0.0080728400000000 ] - [ -0.0003701200000000, 0.0000000000000000, 0.0060190600000000 ] - [ -0.0006842600000000, 0.0000000000000000, 0.0043212800000000 ] - [ -0.0010269200000000, 0.0000000000000000, 0.0086127100000000 ] - [ -0.0008919100000000, 0.0000000000000000, 0.0022604600000000 ] - [ 0.0014974300000000, 0.0000000000000000, 0.0100573300000000 ] - [ 0.0010709600000000, 0.0000000000000000, 0.0009912800000000 ] - [ 0.0005725500000000, -0.0046732600000000, -0.0102684400000000 ] - [ 0.0005725500000000, 0.0046732600000000, -0.0102684400000000 ] - [ -0.0003350600000000, 0.0003321900000000, 0.0050355300000000 ] - [ -0.0003350600000000, -0.0003321900000000, 0.0050355300000000 ] - [ 0.0012963600000000, -0.0072384300000000, 0.0064320600000000 ] - [ 0.0012963600000000, 0.0072384300000000, 0.0064320600000000 ] - [ -0.0018391100000000, 0.0024932100000000, 0.0067060100000000 ] - [ -0.0018391100000000, -0.0024932100000000, 0.0067060100000000 ] - [ -0.0093534800000000, -0.0187336800000000, 0.0023029800000000 ] - [ -0.0093534800000000, 0.0187336800000000, 0.0023029800000000 ] - [ 0.0014142000000000, 0.0023496200000000, 0.0074969400000000 ] - [ 0.0014142000000000, -0.0023496200000000, 0.0074969400000000 ] - [ 0.0480675900000000, 0.0000000000000000, 0.0072764100000000 ] - [ 0.0003718100000000, 0.0000000000000000, -0.0048980400000000 ] - [ 0.0016252800000000, 0.0000000000000000, 0.0085772600000000 ] - [ 0.0001292600000000, 0.0000000000000000, 0.0055714500000000 ] - [ -0.0192107100000000, 0.0000000000000000, -0.0009888700000000 ] - [ -0.0008674400000000, 0.0000000000000000, -0.0039954400000000 ] - [ -0.0001382500000000, 0.0000000000000000, 0.0060785400000000 ] - [ 0.0002768400000000, 0.0000000000000000, 0.0036505400000000 ] - [ 0.0095642100000000, 0.0168545700000000, -0.0012161600000000 ] - [ 0.0095642100000000, -0.0168545700000000, -0.0012161600000000 ] - [ -0.0004376700000000, -0.0010715300000000, 0.0045894200000000 ] - [ -0.0004376700000000, 0.0010715300000000, 0.0045894200000000 ]- atom: 65 displacement: [ 0.0005882137232583, 0.0000000000000000, -0.0099826852407441 ] forces: - [ -0.0010289500000000, 0.0024111300000000, 0.0023412300000000 ] - [ -0.0001225200000000, -0.0007025000000000, 0.0001567800000000 ] - [ 0.0002870100000000, -0.0026863800000000, 0.0040872400000000 ] - [ 0.0005122400000000, 0.0001762800000000, 0.0006763400000000 ] - [ -0.1061712800000000, 0.0000000000000000, -0.1722748600000000 ] - [ -0.0006572700000000, 0.0000000000000000, -0.0017263700000000 ] - [ 0.0021206400000000, 0.0000000000000000, 0.0037568300000000 ] - [ 0.0014077000000000, 0.0000000000000000, 0.0027680200000000 ] - [ 0.1091018600000000, 0.0000000000000000, -0.3675202400000000 ] - [ 0.0009414600000000, 0.0000000000000000, -0.0048747400000000 ] - [ -0.0007224100000000, 0.0000000000000000, 0.0033270400000000 ] - [ -0.0006530500000000, 0.0000000000000000, 0.0024665700000000 ] - [ -0.0005710100000000, 0.0000000000000000, 0.0041152200000000 ] - [ -0.0002401700000000, 0.0000000000000000, 0.0014992500000000 ] - [ 0.0017234200000000, 0.0000000000000000, 0.0052785700000000 ] - [ 0.0008692700000000, 0.0000000000000000, 0.0004032800000000 ] - [ 0.0077948400000000, 0.0000000000000000, 0.0030617400000000 ] - [ -0.0004621800000000, 0.0000000000000000, -0.0009173600000000 ] - [ 0.0023325100000000, 0.0000000000000000, 0.0030079200000000 ] - [ 0.0005128700000000, 0.0000000000000000, 0.0001616000000000 ] - [ -0.0010289500000000, -0.0024111300000000, 0.0023412300000000 ] - [ -0.0001225200000000, 0.0007025000000000, 0.0001567800000000 ] - [ 0.0002870100000000, 0.0026863800000000, 0.0040872400000000 ] - [ 0.0005122400000000, -0.0001762800000000, 0.0006763400000000 ] - [ 0.0347773500000000, -0.0406294700000000, -0.0676942200000000 ] - [ 0.0009886600000000, -0.0034232900000000, -0.0046661300000000 ] - [ -0.0006643900000000, 0.0004863400000000, 0.0031796600000000 ] - [ -0.0006941600000000, 0.0007558800000000, 0.0029578700000000 ] - [ 0.0347773500000000, 0.0406294700000000, -0.0676942200000000 ] - [ 0.0009886600000000, 0.0034232900000000, -0.0046661300000000 ] - [ -0.0006643900000000, -0.0004863400000000, 0.0031796600000000 ] - [ -0.0006941600000000, -0.0007558800000000, 0.0029578700000000 ] - [ 0.0007472500000000, -0.0050135400000000, 0.0051727500000000 ] - [ 0.0015679800000000, 0.0027322900000000, -0.0002813200000000 ] - [ -0.0003470900000000, -0.0001205500000000, 0.0028462200000000 ] - [ -0.0014519800000000, -0.0026522500000000, 0.0021611300000000 ] - [ -0.0027414800000000, -0.0017093800000000, -0.0019402100000000 ] - [ -0.0027414800000000, 0.0017093800000000, -0.0019402100000000 ] - [ 0.0019984900000000, 0.0002431200000000, 0.0032722500000000 ] - [ 0.0019984900000000, -0.0002431200000000, 0.0032722500000000 ] - [ 0.0016400600000000, 0.0000646500000000, -0.0064364500000000 ] - [ 0.0016400600000000, -0.0000646500000000, -0.0064364500000000 ] - [ -0.0005443400000000, -0.0001825800000000, 0.0028005100000000 ] - [ -0.0005443400000000, 0.0001825800000000, 0.0028005100000000 ] - [ -0.0005361600000000, -0.0011443100000000, 0.0034922600000000 ] - [ -0.0005361600000000, 0.0011443100000000, 0.0034922600000000 ] - [ -0.0024309100000000, 0.0043218300000000, 0.0042623600000000 ] - [ -0.0024309100000000, -0.0043218300000000, 0.0042623600000000 ] - [ -0.0005417800000000, -0.0040908800000000, 0.0016093900000000 ] - [ -0.0005417800000000, 0.0040908800000000, 0.0016093900000000 ] - [ 0.0012694700000000, 0.0005619000000000, 0.0018434800000000 ] - [ 0.0012694700000000, -0.0005619000000000, 0.0018434800000000 ] - [ 0.0007472500000000, 0.0050135400000000, 0.0051727500000000 ] - [ 0.0015679800000000, -0.0027322900000000, -0.0002813200000000 ] - [ -0.0003470900000000, 0.0001205500000000, 0.0028462200000000 ] - [ -0.0014519800000000, 0.0026522500000000, 0.0021611300000000 ] - [ 0.0051000800000000, -0.0072898400000000, -0.0105832000000000 ] - [ -0.0000809800000000, 0.0003378300000000, -0.0029937400000000 ] - [ -0.0006805300000000, 0.0007723200000000, 0.0034086800000000 ] - [ -0.0006057000000000, 0.0003562200000000, 0.0026411200000000 ] - [ 0.0051000800000000, 0.0072898400000000, -0.0105832000000000 ] - [ -0.0000809800000000, -0.0003378300000000, -0.0029937400000000 ] - [ -0.0006805300000000, -0.0007723200000000, 0.0034086800000000 ] - [ -0.0006057000000000, -0.0003562200000000, 0.0026411200000000 ] - [ -0.0565975500000000, 0.0000000000000000, 0.7004301500000000 ] - [ -0.0027245700000000, 0.0000000000000000, 0.0078715500000000 ] - [ 0.0000090700000000, 0.0000000000000000, -0.0062100000000000 ] - [ 0.0003241300000000, 0.0000000000000000, -0.0045156600000000 ] - [ 0.0013031600000000, 0.0000000000000000, -0.0084221200000000 ] - [ 0.0012455600000000, 0.0000000000000000, -0.0020719100000000 ] - [ -0.0011295000000000, 0.0000000000000000, -0.0098824300000000 ] - [ -0.0007105400000000, 0.0000000000000000, -0.0007814900000000 ] - [ -0.0009238000000000, 0.0046769600000000, 0.0100680800000000 ] - [ -0.0009238000000000, -0.0046769600000000, 0.0100680800000000 ] - [ -0.0000276000000000, -0.0003324500000000, -0.0052303200000000 ] - [ -0.0000276000000000, 0.0003324500000000, -0.0052303200000000 ] - [ -0.0009104700000000, 0.0072197700000000, -0.0062177300000000 ] - [ -0.0009104700000000, -0.0072197700000000, -0.0062177300000000 ] - [ 0.0022067700000000, -0.0024863800000000, -0.0065084400000000 ] - [ 0.0022067700000000, 0.0024863800000000, -0.0065084400000000 ] - [ 0.0093017200000000, 0.0186336900000000, -0.0023972000000000 ] - [ 0.0093017200000000, -0.0186336900000000, -0.0023972000000000 ] - [ -0.0014110200000000, -0.0023562000000000, -0.0074909000000000 ] - [ -0.0014110200000000, 0.0023562000000000, -0.0074909000000000 ] - [ -0.0478542800000000, 0.0000000000000000, -0.0072859000000000 ] - [ -0.0003709600000000, 0.0000000000000000, 0.0048723100000000 ] - [ -0.0016318800000000, 0.0000000000000000, -0.0085635500000000 ] - [ -0.0001277400000000, 0.0000000000000000, -0.0055623600000000 ] - [ 0.0192225900000000, 0.0000000000000000, 0.0009925900000000 ] - [ 0.0008679000000000, 0.0000000000000000, 0.0040006200000000 ] - [ 0.0001412700000000, 0.0000000000000000, -0.0060737300000000 ] - [ -0.0002758900000000, 0.0000000000000000, -0.0036493400000000 ] - [ -0.0095988200000000, -0.0169532800000000, 0.0012042600000000 ] - [ -0.0095988200000000, 0.0169532800000000, 0.0012042600000000 ] - [ 0.0004365800000000, 0.0010652900000000, -0.0045823400000000 ] - [ 0.0004365800000000, -0.0010652900000000, -0.0045823400000000 ]- atom: 81 displacement: [ 0.0099999156518758, 0.0000000000000000, 0.0000410725622434 ] forces: - [ 0.0020625800000000, 0.0048010400000000, -0.0013087000000000 ] - [ 0.0127490100000000, 0.0066355300000000, -0.0079486600000000 ] - [ 0.0006210500000000, 0.0001990600000000, -0.0005704500000000 ] - [ 0.0005353100000000, 0.0000758600000000, -0.0004983300000000 ] - [ -0.0059762100000000, -0.0039432400000000, 0.0032533400000000 ] - [ -0.0059762100000000, 0.0039432400000000, 0.0032533400000000 ] - [ 0.0000457600000000, -0.0000341700000000, 0.0002568800000000 ] - [ 0.0000457600000000, 0.0000341700000000, 0.0002568800000000 ] - [ -0.0017479000000000, -0.0013522600000000, 0.0027901800000000 ] - [ -0.0017479000000000, 0.0013522600000000, 0.0027901800000000 ] - [ 0.0010079900000000, -0.0006529500000000, -0.0011042100000000 ] - [ 0.0010079900000000, 0.0006529500000000, -0.0011042100000000 ] - [ -0.0017956600000000, 0.0013707600000000, 0.0032499300000000 ] - [ -0.0017956600000000, -0.0013707600000000, 0.0032499300000000 ] - [ 0.0009843400000000, 0.0006526000000000, -0.0006603500000000 ] - [ 0.0009843400000000, -0.0006526000000000, -0.0006603500000000 ] - [ -0.0065536400000000, 0.0039286400000000, 0.0015571300000000 ] - [ -0.0065536400000000, -0.0039286400000000, 0.0015571300000000 ] - [ -0.0004502300000000, 0.0000342900000000, -0.0013650400000000 ] - [ -0.0004502300000000, -0.0000342900000000, -0.0013650400000000 ] - [ 0.0127490100000000, -0.0066355300000000, -0.0079486600000000 ] - [ 0.0020625800000000, -0.0048010400000000, -0.0013087000000000 ] - [ 0.0005353100000000, -0.0000758600000000, -0.0004983300000000 ] - [ 0.0006210500000000, -0.0001990600000000, -0.0005704500000000 ] - [ 0.0015726600000000, -0.0051405400000000, -0.0008914900000000 ] - [ 0.0120150700000000, -0.0067747100000000, -0.0073993200000000 ] - [ 0.0001173500000000, -0.0005844800000000, -0.0001542000000000 ] - [ 0.0000320000000000, -0.0004640100000000, -0.0000780300000000 ] - [ 0.0120150700000000, 0.0067747100000000, -0.0073993200000000 ] - [ 0.0015726600000000, 0.0051405400000000, -0.0008914900000000 ] - [ 0.0000320000000000, 0.0004640100000000, -0.0000780300000000 ] - [ 0.0001173500000000, 0.0005844800000000, -0.0001542000000000 ] - [ -0.0206599300000000, -0.0153334900000000, 0.0001944300000000 ] - [ -0.0011417800000000, -0.0001224100000000, 0.0010276300000000 ] - [ 0.0000602400000000, 0.0001027400000000, -0.0012594900000000 ] - [ 0.0001179200000000, -0.0003342100000000, -0.0008496400000000 ] - [ 0.0745558400000000, 0.0000000000000000, 0.0148294000000000 ] - [ 0.0013020000000000, 0.0000000000000000, 0.0004873700000000 ] - [ -0.0004150900000000, 0.0000000000000000, 0.0000625000000000 ] - [ -0.0000728600000000, 0.0000000000000000, 0.0005645600000000 ] - [ -0.0075990100000000, 0.0000000000000000, -0.0198413800000000 ] - [ 0.0001680700000000, 0.0000000000000000, -0.0000682900000000 ] - [ -0.0010007200000000, 0.0000000000000000, -0.0009319800000000 ] - [ -0.0005054700000000, 0.0000000000000000, -0.0002449100000000 ] - [ -0.0076377500000000, 0.0000000000000000, -0.0194561200000000 ] - [ 0.0001614800000000, 0.0000000000000000, 0.0003735400000000 ] - [ -0.0010079100000000, 0.0000000000000000, -0.0004822500000000 ] - [ -0.0005177800000000, 0.0000000000000000, 0.0001990700000000 ] - [ 0.0805519300000000, 0.0000000000000000, 0.0158895400000000 ] - [ 0.0008354300000000, 0.0000000000000000, -0.0011227700000000 ] - [ -0.0009012500000000, 0.0000000000000000, -0.0015535100000000 ] - [ -0.0005618000000000, 0.0000000000000000, -0.0010540300000000 ] - [ -0.0011417800000000, 0.0001224100000000, 0.0010276300000000 ] - [ -0.0206599300000000, 0.0153334900000000, 0.0001944300000000 ] - [ 0.0001179200000000, 0.0003342100000000, -0.0008496400000000 ] - [ 0.0000602400000000, -0.0001027400000000, -0.0012594900000000 ] - [ -0.0211555400000000, 0.0149334900000000, 0.0006328100000000 ] - [ -0.0016558900000000, -0.0002453500000000, 0.0014493200000000 ] - [ -0.0004465900000000, -0.0004875300000000, -0.0008475300000000 ] - [ -0.0003890800000000, -0.0000486100000000, -0.0004371500000000 ] - [ -0.0016558900000000, 0.0002453500000000, 0.0014493200000000 ] - [ -0.0211555400000000, -0.0149334900000000, 0.0006328100000000 ] - [ -0.0003890800000000, 0.0000486100000000, -0.0004371500000000 ] - [ -0.0004465900000000, 0.0004875300000000, -0.0008475300000000 ] - [ 0.0039667900000000, 0.0165837600000000, -0.0091752100000000 ] - [ 0.0039667900000000, -0.0165837600000000, -0.0091752100000000 ] - [ -0.0009579100000000, 0.0001602700000000, 0.0013014000000000 ] - [ -0.0009579100000000, -0.0001602700000000, 0.0013014000000000 ] - [ 0.0045161800000000, -0.0167057500000000, -0.0089935500000000 ] - [ 0.0045161800000000, 0.0167057500000000, -0.0089935500000000 ] - [ -0.0005899100000000, -0.0001640000000000, 0.0014994700000000 ] - [ -0.0005899100000000, 0.0001640000000000, 0.0014994700000000 ] - [ 0.0779661700000000, 0.0000000000000000, 0.0523733500000000 ] - [ -0.0002162700000000, 0.0000000000000000, 0.0002519100000000 ] - [ 0.0006861200000000, 0.0000000000000000, 0.0016225000000000 ] - [ 0.0003488800000000, 0.0000000000000000, 0.0000841600000000 ] - [ 0.0788872600000000, 0.0000000000000000, 0.0530199400000000 ] - [ 0.0001108600000000, 0.0000000000000000, 0.0004459100000000 ] - [ 0.0010418400000000, 0.0000000000000000, 0.0018126500000000 ] - [ 0.0007053000000000, 0.0000000000000000, 0.0002813800000000 ] - [ -0.2874914000000000, 0.0000000000000000, -0.0322754300000000 ] - [ -0.0052444800000000, 0.0000000000000000, 0.0062072100000000 ] - [ 0.0005141200000000, 0.0000000000000000, 0.0011107400000000 ] - [ 0.0001129700000000, 0.0000000000000000, 0.0006780800000000 ] - [ 0.0234403100000000, 0.0000583800000000, -0.0147435400000000 ] - [ 0.0234403100000000, -0.0000583800000000, -0.0147435400000000 ] - [ 0.0001550300000000, -0.0000000900000000, 0.0022641300000000 ] - [ 0.0001550300000000, 0.0000000900000000, 0.0022641300000000 ] - [ 0.0028148500000000, -0.0033962400000000, 0.0023301200000000 ] - [ 0.0028148500000000, 0.0033962400000000, 0.0023301200000000 ] - [ 0.0028234100000000, 0.0034147800000000, 0.0023509200000000 ] - [ 0.0028234100000000, -0.0034147800000000, 0.0023509200000000 ] - [ -0.0074991400000000, 0.0000000000000000, -0.0012876300000000 ] - [ -0.0009993000000000, 0.0000000000000000, -0.0011780100000000 ] - [ -0.0075107200000000, 0.0000000000000000, -0.0013528600000000 ] - [ -0.0010024900000000, 0.0000000000000000, -0.0011902000000000 ]- atom: 81 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0019687500000000, -0.0194654000000000, 0.0025223500000000 ] - [ 0.0011285500000000, 0.0340365100000000, -0.0252680800000000 ] - [ -0.0000783700000000, -0.0010104900000000, 0.0004495200000000 ] - [ 0.0006569700000000, 0.0008516600000000, -0.0004905400000000 ] - [ -0.0132458000000000, -0.0068087900000000, -0.0022701200000000 ] - [ 0.0136512000000000, -0.0067975700000000, 0.0039023600000000 ] - [ 0.0000784700000000, 0.0000362400000000, 0.0001659400000000 ] - [ 0.0004116900000000, 0.0000345800000000, 0.0014503700000000 ] - [ -0.0060824900000000, -0.0071315300000000, 0.0092783000000000 ] - [ 0.0061162100000000, -0.0071621000000000, -0.0097185100000000 ] - [ 0.0001369100000000, -0.0000959800000000, -0.0020106000000000 ] - [ -0.0001239200000000, -0.0001023200000000, 0.0015671700000000 ] - [ 0.0060824900000000, -0.0071315300000000, -0.0092783000000000 ] - [ -0.0061162100000000, -0.0071621000000000, 0.0097185100000000 ] - [ -0.0001369100000000, -0.0000959800000000, 0.0020106000000000 ] - [ 0.0001239200000000, -0.0001023200000000, -0.0015671700000000 ] - [ 0.0132458000000000, -0.0068087900000000, 0.0022701200000000 ] - [ -0.0136512000000000, -0.0067975700000000, -0.0039023600000000 ] - [ -0.0000784700000000, 0.0000362400000000, -0.0001659400000000 ] - [ -0.0004116900000000, 0.0000345800000000, -0.0014503700000000 ] - [ -0.0011549800000000, 0.0359119400000000, 0.0268658400000000 ] - [ 0.0025008300000000, -0.0190793900000000, -0.0029690000000000 ] - [ -0.0001473000000000, 0.0012341100000000, 0.0000726200000000 ] - [ 0.0005917200000000, -0.0006366100000000, -0.0008641900000000 ] - [ 0.0019687500000000, -0.0194654000000000, -0.0025223500000000 ] - [ -0.0011285500000000, 0.0340365100000000, 0.0252680800000000 ] - [ 0.0000783700000000, -0.0010104900000000, -0.0004495200000000 ] - [ -0.0006569700000000, 0.0008516600000000, 0.0004905400000000 ] - [ 0.0011549800000000, 0.0359119400000000, -0.0268658400000000 ] - [ -0.0025008300000000, -0.0190793900000000, 0.0029690000000000 ] - [ 0.0001473000000000, 0.0012341100000000, -0.0000726200000000 ] - [ -0.0005917200000000, -0.0006366100000000, 0.0008641900000000 ] - [ 0.0026549500000000, 0.0055775800000000, -0.0027811500000000 ] - [ -0.0018330700000000, -0.0056397200000000, 0.0024081400000000 ] - [ 0.0005505800000000, 0.0005796100000000, -0.0001193100000000 ] - [ -0.0000442200000000, -0.0009629300000000, -0.0002981300000000 ] - [ 0.0006028200000000, 0.0118217000000000, 0.0009505300000000 ] - [ 0.0002548900000000, -0.0044333800000000, 0.0008158500000000 ] - [ 0.0002464800000000, 0.0003520600000000, 0.0008100400000000 ] - [ 0.0002463100000000, -0.0003761400000000, 0.0008083100000000 ] - [ -0.0000107000000000, 0.0031786100000000, -0.0002630300000000 ] - [ 0.0000106200000000, -0.0024028900000000, -0.0002154200000000 ] - [ 0.0000086500000000, 0.0014406000000000, -0.0002194700000000 ] - [ 0.0000095200000000, -0.0015648700000000, -0.0002222700000000 ] - [ 0.0000107000000000, 0.0031786100000000, 0.0002630300000000 ] - [ -0.0000106200000000, -0.0024028900000000, 0.0002154200000000 ] - [ -0.0000086500000000, 0.0014406000000000, 0.0002194700000000 ] - [ -0.0000095200000000, -0.0015648700000000, 0.0002222700000000 ] - [ -0.0006028200000000, 0.0118217000000000, -0.0009505300000000 ] - [ -0.0002548900000000, -0.0044333800000000, -0.0008158500000000 ] - [ -0.0002464800000000, 0.0003520600000000, -0.0008100400000000 ] - [ -0.0002463100000000, -0.0003761400000000, -0.0008083100000000 ] - [ 0.0023400900000000, -0.0052524000000000, -0.0028281200000000 ] - [ -0.0020772700000000, 0.0058878500000000, 0.0023553700000000 ] - [ 0.0005536700000000, -0.0005818700000000, -0.0001170800000000 ] - [ -0.0000395600000000, 0.0009549900000000, -0.0003004400000000 ] - [ -0.0026549500000000, 0.0055775800000000, 0.0027811500000000 ] - [ 0.0018330700000000, -0.0056397200000000, -0.0024081400000000 ] - [ -0.0005505800000000, 0.0005796100000000, 0.0001193100000000 ] - [ 0.0000442200000000, -0.0009629300000000, 0.0002981300000000 ] - [ -0.0023400900000000, -0.0052524000000000, 0.0028281200000000 ] - [ 0.0020772700000000, 0.0058878500000000, -0.0023553700000000 ] - [ -0.0005536700000000, -0.0005818700000000, 0.0001170800000000 ] - [ 0.0000395600000000, 0.0009549900000000, 0.0003004400000000 ] - [ 0.0258704100000000, 0.0473360800000000, -0.0174020700000000 ] - [ -0.0260831000000000, 0.0472058900000000, 0.0169699200000000 ] - [ -0.0010506600000000, -0.0002154400000000, 0.0022064100000000 ] - [ 0.0006902800000000, -0.0002077300000000, -0.0024044000000000 ] - [ -0.0258704100000000, 0.0473360800000000, 0.0174020700000000 ] - [ 0.0260831000000000, 0.0472058900000000, -0.0169699200000000 ] - [ 0.0010506600000000, -0.0002154400000000, -0.0022064100000000 ] - [ -0.0006902800000000, -0.0002077300000000, 0.0024044000000000 ] - [ -0.0000143900000000, -0.0128716400000000, -0.0000189900000000 ] - [ -0.0001943400000000, 0.0102327400000000, -0.0001125500000000 ] - [ -0.0001810200000000, -0.0014485400000000, -0.0001028700000000 ] - [ -0.0001829000000000, 0.0014686200000000, -0.0000965500000000 ] - [ 0.0000143900000000, -0.0128716400000000, 0.0000189900000000 ] - [ 0.0001943400000000, 0.0102327400000000, 0.0001125500000000 ] - [ 0.0001810200000000, -0.0014485400000000, 0.0001028700000000 ] - [ 0.0001829000000000, 0.0014686200000000, 0.0000965500000000 ] - [ 0.0000000000000000, -0.2295997200000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0331582000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0014854300000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0018711600000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0009375000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0010431100000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0000075200000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000015700000000, 0.0000000000000000 ] - [ 0.0019790200000000, 0.0000684300000000, -0.0024886500000000 ] - [ -0.0019709600000000, 0.0000894100000000, 0.0024891800000000 ] - [ -0.0019790200000000, 0.0000684300000000, 0.0024886500000000 ] - [ 0.0019709600000000, 0.0000894100000000, -0.0024891800000000 ] - [ -0.0000104300000000, -0.0132991000000000, 0.0000200000000000 ] - [ 0.0000001300000000, 0.0062882000000000, -0.0000119800000000 ] - [ 0.0000104300000000, -0.0132991000000000, -0.0000200000000000 ] - [ -0.0000001300000000, 0.0062882000000000, 0.0000119800000000 ]- atom: 81 displacement: [ -0.0005882137232583, 0.0000000000000000, 0.0099826852407441 ] forces: - [ -0.0019400600000000, -0.0182712300000000, 0.0076272500000000 ] - [ -0.0014771800000000, -0.0230841800000000, 0.0417752000000000 ] - [ 0.0010132800000000, 0.0014772600000000, -0.0039511900000000 ] - [ 0.0004641900000000, -0.0000488800000000, -0.0057325700000000 ] - [ 0.0204706100000000, 0.0067051700000000, 0.0138861100000000 ] - [ 0.0204706100000000, -0.0067051700000000, 0.0138861100000000 ] - [ -0.0024556100000000, -0.0001730300000000, -0.0027683300000000 ] - [ -0.0024556100000000, 0.0001730300000000, -0.0027683300000000 ] - [ 0.0071565300000000, 0.0087415000000000, -0.0057372200000000 ] - [ 0.0071565300000000, -0.0087415000000000, -0.0057372200000000 ] - [ -0.0000953300000000, -0.0012992000000000, -0.0046836200000000 ] - [ -0.0000953300000000, 0.0012992000000000, -0.0046836200000000 ] - [ 0.0071398000000000, -0.0087555400000000, -0.0052701900000000 ] - [ 0.0071398000000000, 0.0087555400000000, -0.0052701900000000 ] - [ -0.0001047900000000, 0.0012949600000000, -0.0042367000000000 ] - [ -0.0001047900000000, -0.0012949600000000, -0.0042367000000000 ] - [ 0.0200433000000000, -0.0067211700000000, 0.0122981400000000 ] - [ 0.0200433000000000, 0.0067211700000000, 0.0122981400000000 ] - [ -0.0029439400000000, 0.0001717000000000, -0.0043870900000000 ] - [ -0.0029439400000000, -0.0001717000000000, -0.0043870900000000 ] - [ -0.0014771800000000, 0.0230841800000000, 0.0417752000000000 ] - [ -0.0019400600000000, 0.0182712300000000, 0.0076272500000000 ] - [ 0.0004641900000000, 0.0000488800000000, -0.0057325700000000 ] - [ 0.0010132800000000, -0.0014772600000000, -0.0039511900000000 ] - [ -0.0024527200000000, 0.0178852200000000, 0.0080425200000000 ] - [ -0.0013759400000000, 0.0206633600000000, 0.0403663000000000 ] - [ 0.0005079500000000, -0.0018647100000000, -0.0035365200000000 ] - [ -0.0000464700000000, -0.0003270300000000, -0.0053243200000000 ] - [ -0.0013759400000000, -0.0206633600000000, 0.0403663000000000 ] - [ -0.0024527200000000, -0.0178852200000000, 0.0080425200000000 ] - [ -0.0000464700000000, 0.0003270300000000, -0.0053243200000000 ] - [ 0.0005079500000000, 0.0018647100000000, -0.0035365200000000 ] - [ -0.0048333700000000, -0.0063777800000000, 0.0041598100000000 ] - [ 0.0010423600000000, -0.0006829100000000, 0.0032384600000000 ] - [ 0.0010823500000000, 0.0013635600000000, -0.0039881000000000 ] - [ 0.0007382900000000, 0.0006426100000000, -0.0031950300000000 ] - [ 0.0250948600000000, 0.0000000000000000, 0.0198958400000000 ] - [ 0.0014706200000000, 0.0000000000000000, 0.0052857700000000 ] - [ -0.0018895000000000, 0.0000000000000000, -0.0029732500000000 ] - [ -0.0013911500000000, 0.0000000000000000, -0.0018817200000000 ] - [ -0.0057546900000000, 0.0000000000000000, -0.0017599600000000 ] - [ -0.0008660600000000, 0.0000000000000000, 0.0018753400000000 ] - [ 0.0026013500000000, 0.0000000000000000, -0.0051686800000000 ] - [ 0.0012076700000000, 0.0000000000000000, -0.0033853200000000 ] - [ -0.0057709500000000, 0.0000000000000000, -0.0012093800000000 ] - [ -0.0008890600000000, 0.0000000000000000, 0.0023281900000000 ] - [ 0.0025696600000000, 0.0000000000000000, -0.0047205000000000 ] - [ 0.0011882600000000, 0.0000000000000000, -0.0029424700000000 ] - [ 0.0247484700000000, 0.0000000000000000, 0.0179804200000000 ] - [ 0.0009758400000000, 0.0000000000000000, 0.0036654000000000 ] - [ -0.0023877800000000, 0.0000000000000000, -0.0045964100000000 ] - [ -0.0018873300000000, 0.0000000000000000, -0.0035046100000000 ] - [ 0.0010423600000000, 0.0006829100000000, 0.0032384600000000 ] - [ -0.0048333700000000, 0.0063777800000000, 0.0041598100000000 ] - [ 0.0007382900000000, -0.0006426100000000, -0.0031950300000000 ] - [ 0.0010823500000000, -0.0013635600000000, -0.0039881000000000 ] - [ -0.0053918000000000, 0.0060412800000000, 0.0045523300000000 ] - [ 0.0005405200000000, 0.0002868300000000, 0.0036420100000000 ] - [ 0.0005794400000000, -0.0017497200000000, -0.0035714300000000 ] - [ 0.0002330000000000, -0.0010271200000000, -0.0027779100000000 ] - [ 0.0005405200000000, -0.0002868300000000, 0.0036420100000000 ] - [ -0.0053918000000000, -0.0060412800000000, 0.0045523300000000 ] - [ 0.0002330000000000, 0.0010271200000000, -0.0027779100000000 ] - [ 0.0005794400000000, 0.0017497200000000, -0.0035714300000000 ] - [ -0.0317701800000000, -0.0501103600000000, 0.0009182500000000 ] - [ -0.0317701800000000, 0.0501103600000000, 0.0009182500000000 ] - [ 0.0000198000000000, 0.0014276900000000, 0.0073237000000000 ] - [ 0.0000198000000000, -0.0014276900000000, 0.0073237000000000 ] - [ -0.0315341200000000, 0.0503643200000000, 0.0011518100000000 ] - [ -0.0315341200000000, -0.0503643200000000, 0.0011518100000000 ] - [ 0.0003736300000000, -0.0014192400000000, 0.0075209000000000 ] - [ 0.0003736300000000, 0.0014192400000000, 0.0075209000000000 ] - [ 0.0257345500000000, 0.0000000000000000, 0.0059856500000000 ] - [ -0.0006321500000000, 0.0000000000000000, -0.0050271900000000 ] - [ -0.0014204800000000, 0.0000000000000000, 0.0083031400000000 ] - [ -0.0007441600000000, 0.0000000000000000, 0.0054254900000000 ] - [ 0.0258885500000000, 0.0000000000000000, 0.0059681600000000 ] - [ -0.0002558800000000, 0.0000000000000000, -0.0048390600000000 ] - [ -0.0010496200000000, 0.0000000000000000, 0.0084997700000000 ] - [ -0.0003798500000000, 0.0000000000000000, 0.0056267500000000 ] - [ -0.0141082000000000, 0.0000000000000000, -0.2740778800000000 ] - [ 0.0066424200000000, 0.0000000000000000, -0.0335384500000000 ] - [ 0.0010230500000000, 0.0000000000000000, 0.0133804900000000 ] - [ 0.0006306100000000, 0.0000000000000000, 0.0097079500000000 ] - [ -0.0160030800000000, -0.0000412800000000, -0.0227922400000000 ] - [ -0.0160030800000000, 0.0000412800000000, -0.0227922400000000 ] - [ 0.0022132800000000, -0.0000004500000000, 0.0090639400000000 ] - [ 0.0022132800000000, 0.0000004500000000, 0.0090639400000000 ] - [ -0.0014292000000000, -0.0021077700000000, 0.0023711800000000 ] - [ -0.0014292000000000, 0.0021077700000000, 0.0023711800000000 ] - [ -0.0014374700000000, 0.0020987000000000, 0.0023530400000000 ] - [ -0.0014374700000000, -0.0020987000000000, 0.0023530400000000 ] - [ -0.0001379500000000, 0.0000000000000000, 0.0254752000000000 ] - [ 0.0016324100000000, 0.0000000000000000, 0.0039265500000000 ] - [ -0.0001343600000000, 0.0000000000000000, 0.0256933500000000 ] - [ 0.0016367000000000, 0.0000000000000000, 0.0039244300000000 ]- atom: 89 displacement: [ 0.0099999156518758, 0.0000000000000000, 0.0000410725622434 ] forces: - [ -0.0000979200000000, -0.0001484000000000, 0.0000625500000000 ] - [ -0.0001204600000000, -0.0005528900000000, 0.0000810200000000 ] - [ -0.0043684700000000, -0.0041940200000000, 0.0041264400000000 ] - [ -0.0000777200000000, 0.0000125500000000, -0.0001581300000000 ] - [ 0.0028005700000000, 0.0000000000000000, 0.0067729000000000 ] - [ 0.0009207400000000, 0.0000000000000000, 0.0011418400000000 ] - [ 0.0007177900000000, 0.0000000000000000, 0.0006245200000000 ] - [ -0.0000955400000000, 0.0000000000000000, 0.0004286400000000 ] - [ 0.0006154100000000, 0.0000000000000000, 0.0036202800000000 ] - [ -0.0002942200000000, 0.0000000000000000, 0.0002319200000000 ] - [ -0.0001259500000000, 0.0000000000000000, -0.0001261100000000 ] - [ -0.0001477000000000, 0.0000000000000000, -0.0002110300000000 ] - [ -0.0001389700000000, 0.0000000000000000, 0.0003165700000000 ] - [ -0.0001616300000000, 0.0000000000000000, 0.0002316300000000 ] - [ 0.0011483500000000, 0.0000000000000000, 0.0039421500000000 ] - [ -0.0003036100000000, 0.0000000000000000, 0.0006760600000000 ] - [ 0.0002381800000000, 0.0000000000000000, -0.0009874500000000 ] - [ -0.0005806800000000, 0.0000000000000000, -0.0011865400000000 ] - [ 0.0023673300000000, 0.0000000000000000, 0.0052257200000000 ] - [ 0.0004412200000000, 0.0000000000000000, -0.0004724000000000 ] - [ -0.0000979200000000, 0.0001484000000000, 0.0000625500000000 ] - [ -0.0001204600000000, 0.0005528900000000, 0.0000810200000000 ] - [ -0.0043684700000000, 0.0041940200000000, 0.0041264400000000 ] - [ -0.0000777200000000, -0.0000125500000000, -0.0001581300000000 ] - [ -0.0048512400000000, 0.0037834400000000, 0.0045002500000000 ] - [ -0.0005840800000000, -0.0003927500000000, 0.0002522100000000 ] - [ -0.0006072600000000, -0.0002363900000000, 0.0004810300000000 ] - [ -0.0006282100000000, 0.0001700600000000, 0.0004989600000000 ] - [ -0.0048512400000000, -0.0037834400000000, 0.0045002500000000 ] - [ -0.0005840800000000, 0.0003927500000000, 0.0002522100000000 ] - [ -0.0006072600000000, 0.0002363900000000, 0.0004810300000000 ] - [ -0.0006282100000000, -0.0001700600000000, 0.0004989600000000 ] - [ 0.0006438700000000, -0.0004368900000000, -0.0000801000000000 ] - [ 0.0005820400000000, 0.0002073500000000, -0.0005254100000000 ] - [ 0.0038987100000000, 0.0009518400000000, -0.0020842400000000 ] - [ 0.0020099700000000, 0.0012487300000000, -0.0019821300000000 ] - [ -0.0015569400000000, -0.0002584400000000, -0.0015201600000000 ] - [ -0.0015569400000000, 0.0002584400000000, -0.0015201600000000 ] - [ 0.0003554500000000, 0.0003220500000000, 0.0012028900000000 ] - [ 0.0003554500000000, -0.0003220500000000, 0.0012028900000000 ] - [ 0.0011794000000000, 0.0040578600000000, -0.0037753100000000 ] - [ 0.0011794000000000, -0.0040578600000000, -0.0037753100000000 ] - [ 0.0000997700000000, 0.0000692900000000, -0.0000783200000000 ] - [ 0.0000997700000000, -0.0000692900000000, -0.0000783200000000 ] - [ 0.0000814400000000, -0.0000703400000000, 0.0003641000000000 ] - [ 0.0000814400000000, 0.0000703400000000, 0.0003641000000000 ] - [ 0.0010963500000000, -0.0040946700000000, -0.0033391400000000 ] - [ 0.0010963500000000, 0.0040946700000000, -0.0033391400000000 ] - [ -0.0001406700000000, -0.0003206400000000, -0.0004211000000000 ] - [ -0.0001406700000000, 0.0003206400000000, -0.0004211000000000 ] - [ -0.0020805800000000, 0.0002544500000000, -0.0031528100000000 ] - [ -0.0020805800000000, -0.0002544500000000, -0.0031528100000000 ] - [ 0.0006438700000000, 0.0004368900000000, -0.0000801000000000 ] - [ 0.0005820400000000, -0.0002073500000000, -0.0005254100000000 ] - [ 0.0038987100000000, -0.0009518400000000, -0.0020842400000000 ] - [ 0.0020099700000000, -0.0012487300000000, -0.0019821300000000 ] - [ 0.0034084600000000, -0.0013447900000000, -0.0016751400000000 ] - [ 0.0015057600000000, -0.0016195700000000, -0.0015669700000000 ] - [ 0.0001466900000000, 0.0000462200000000, 0.0003272500000000 ] - [ 0.0000793200000000, -0.0005935300000000, -0.0001129100000000 ] - [ 0.0034084600000000, 0.0013447900000000, -0.0016751400000000 ] - [ 0.0015057600000000, 0.0016195700000000, -0.0015669700000000 ] - [ 0.0001466900000000, -0.0000462200000000, 0.0003272500000000 ] - [ 0.0000793200000000, 0.0005935300000000, -0.0001129100000000 ] - [ 0.0121931000000000, 0.0000000000000000, -0.0185319000000000 ] - [ -0.0002236100000000, 0.0000000000000000, -0.0009848000000000 ] - [ 0.0005348300000000, 0.0000000000000000, -0.0001711800000000 ] - [ 0.0004987700000000, 0.0000000000000000, 0.0002343600000000 ] - [ 0.0008817800000000, 0.0000000000000000, 0.0000245500000000 ] - [ 0.0008522200000000, 0.0000000000000000, 0.0004293000000000 ] - [ 0.0126575600000000, 0.0000000000000000, -0.0185133400000000 ] - [ 0.0001262900000000, 0.0000000000000000, -0.0007919700000000 ] - [ -0.0037072600000000, -0.0026688800000000, 0.0092830700000000 ] - [ -0.0037072600000000, 0.0026688800000000, 0.0092830700000000 ] - [ -0.0008154500000000, -0.0005752400000000, -0.0005561400000000 ] - [ -0.0008154500000000, 0.0005752400000000, -0.0005561400000000 ] - [ -0.0004419400000000, 0.0005776700000000, -0.0003561800000000 ] - [ -0.0004419400000000, -0.0005776700000000, -0.0003561800000000 ] - [ -0.0032777100000000, 0.0027237800000000, 0.0094913200000000 ] - [ -0.0032777100000000, -0.0027237800000000, 0.0094913200000000 ] - [ 0.0028238600000000, 0.0019535500000000, -0.0012460600000000 ] - [ 0.0028238600000000, -0.0019535500000000, -0.0012460600000000 ] - [ 0.0028443600000000, -0.0019766800000000, -0.0012722700000000 ] - [ 0.0028443600000000, 0.0019766800000000, -0.0012722700000000 ] - [ -0.0074771700000000, 0.0000000000000000, -0.0005156900000000 ] - [ -0.0010088100000000, 0.0000000000000000, 0.0015870500000000 ] - [ -0.0075393400000000, 0.0000000000000000, -0.0004315700000000 ] - [ -0.0010166200000000, 0.0000000000000000, 0.0016005100000000 ] - [ -0.0251946800000000, 0.0000000000000000, 0.0018762900000000 ] - [ -0.0027081800000000, 0.0000000000000000, -0.0015977100000000 ] - [ -0.0000722400000000, 0.0000000000000000, -0.0002818400000000 ] - [ -0.0000560400000000, 0.0000000000000000, 0.0000497000000000 ] - [ 0.0076018400000000, -0.0000289200000000, 0.0013386100000000 ] - [ 0.0076018400000000, 0.0000289200000000, 0.0013386100000000 ] - [ 0.0000740100000000, 0.0000009100000000, -0.0002123800000000 ] - [ 0.0000740100000000, -0.0000009100000000, -0.0002123800000000 ]- atom: 89 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0004362900000000, 0.0007958900000000, -0.0008877600000000 ] - [ 0.0000823100000000, -0.0011509900000000, 0.0004384600000000 ] - [ 0.0012985100000000, 0.0017011000000000, -0.0003516400000000 ] - [ -0.0006042200000000, -0.0018819600000000, -0.0002326400000000 ] - [ 0.0002474500000000, 0.0019883400000000, 0.0008218400000000 ] - [ 0.0002465200000000, -0.0011387400000000, 0.0008068100000000 ] - [ 0.0002419100000000, 0.0010988200000000, 0.0008057700000000 ] - [ 0.0002484000000000, -0.0007990100000000, 0.0008113700000000 ] - [ 0.0000069100000000, 0.0043381600000000, -0.0002126300000000 ] - [ 0.0000123400000000, -0.0021353000000000, -0.0002255200000000 ] - [ 0.0000072500000000, 0.0003115300000000, -0.0002211200000000 ] - [ 0.0000081800000000, -0.0003274400000000, -0.0002192200000000 ] - [ -0.0000072500000000, 0.0003115300000000, 0.0002211200000000 ] - [ -0.0000081800000000, -0.0003274400000000, 0.0002192200000000 ] - [ -0.0000069100000000, 0.0043381600000000, 0.0002126300000000 ] - [ -0.0000123400000000, -0.0021353000000000, 0.0002255200000000 ] - [ -0.0002419100000000, 0.0010988200000000, -0.0008057700000000 ] - [ -0.0002484000000000, -0.0007990100000000, -0.0008113700000000 ] - [ -0.0002474500000000, 0.0019883400000000, -0.0008218400000000 ] - [ -0.0002465200000000, -0.0011387400000000, -0.0008068100000000 ] - [ 0.0000757100000000, 0.0011701800000000, 0.0004709600000000 ] - [ 0.0004263500000000, -0.0007689600000000, -0.0008546300000000 ] - [ -0.0007719500000000, 0.0020545800000000, -0.0000854000000000 ] - [ 0.0011110700000000, -0.0014955800000000, -0.0001780700000000 ] - [ -0.0012985100000000, 0.0017011000000000, 0.0003516400000000 ] - [ 0.0006042200000000, -0.0018819600000000, 0.0002326400000000 ] - [ -0.0004362900000000, 0.0007958900000000, 0.0008877600000000 ] - [ -0.0000823100000000, -0.0011509900000000, -0.0004384600000000 ] - [ 0.0007719500000000, 0.0020545800000000, 0.0000854000000000 ] - [ -0.0011110700000000, -0.0014955800000000, 0.0001780700000000 ] - [ -0.0000757100000000, 0.0011701800000000, -0.0004709600000000 ] - [ -0.0004263500000000, -0.0007689600000000, 0.0008546300000000 ] - [ 0.0003493100000000, 0.0008567000000000, -0.0001394000000000 ] - [ 0.0000803200000000, -0.0009471300000000, -0.0002200600000000 ] - [ 0.0014863800000000, 0.0066504100000000, -0.0031925600000000 ] - [ -0.0020491900000000, -0.0055869600000000, 0.0037305500000000 ] - [ 0.0044372400000000, -0.0007407900000000, 0.0056466200000000 ] - [ -0.0039530100000000, -0.0007335100000000, -0.0040508300000000 ] - [ -0.0004784800000000, -0.0000313300000000, 0.0000581400000000 ] - [ 0.0009704200000000, -0.0000269900000000, 0.0015599100000000 ] - [ 0.0031771000000000, -0.0047881100000000, 0.0049661400000000 ] - [ -0.0031505900000000, -0.0046978100000000, -0.0053979100000000 ] - [ -0.0001239500000000, -0.0000156600000000, -0.0004561800000000 ] - [ 0.0001394000000000, -0.0000126000000000, 0.0000150700000000 ] - [ 0.0001239500000000, -0.0000156600000000, 0.0004561800000000 ] - [ -0.0001394000000000, -0.0000126000000000, -0.0000150700000000 ] - [ -0.0031771000000000, -0.0047881100000000, -0.0049661400000000 ] - [ 0.0031505900000000, -0.0046978100000000, 0.0053979100000000 ] - [ 0.0004784800000000, -0.0000313300000000, -0.0000581400000000 ] - [ -0.0009704200000000, -0.0000269900000000, -0.0015599100000000 ] - [ -0.0044372400000000, -0.0007407900000000, -0.0056466200000000 ] - [ 0.0039530100000000, -0.0007335100000000, 0.0040508300000000 ] - [ 0.0001596600000000, 0.0012416700000000, -0.0002719900000000 ] - [ 0.0004342600000000, -0.0005765700000000, -0.0002023200000000 ] - [ -0.0010125500000000, 0.0071432200000000, 0.0026612400000000 ] - [ 0.0025618600000000, -0.0052110400000000, -0.0041249000000000 ] - [ -0.0014863800000000, 0.0066504100000000, 0.0031925600000000 ] - [ 0.0020491900000000, -0.0055869600000000, -0.0037305500000000 ] - [ -0.0003493100000000, 0.0008567000000000, 0.0001394000000000 ] - [ -0.0000803200000000, -0.0009471300000000, 0.0002200600000000 ] - [ 0.0010125500000000, 0.0071432200000000, -0.0026612400000000 ] - [ -0.0025618600000000, -0.0052110400000000, 0.0041249000000000 ] - [ -0.0001596600000000, 0.0012416700000000, 0.0002719900000000 ] - [ -0.0004342600000000, -0.0005765700000000, 0.0002023200000000 ] - [ -0.0001572700000000, -0.0045339400000000, -0.0001352300000000 ] - [ -0.0001866100000000, 0.0035416800000000, -0.0000921200000000 ] - [ -0.0001782200000000, -0.0016608500000000, -0.0000970200000000 ] - [ -0.0001838600000000, 0.0016849500000000, -0.0001020400000000 ] - [ 0.0001782200000000, -0.0016608500000000, 0.0000970200000000 ] - [ 0.0001838600000000, 0.0016849500000000, 0.0001020400000000 ] - [ 0.0001572700000000, -0.0045339400000000, 0.0001352300000000 ] - [ 0.0001866100000000, 0.0035416800000000, 0.0000921200000000 ] - [ -0.0017542800000000, 0.0096978800000000, -0.0170497500000000 ] - [ 0.0014160800000000, 0.0097096200000000, 0.0170033400000000 ] - [ 0.0002950400000000, 0.0001352300000000, 0.0009992600000000 ] - [ -0.0006567000000000, 0.0001234700000000, -0.0011975200000000 ] - [ -0.0002950400000000, 0.0001352300000000, -0.0009992600000000 ] - [ 0.0006567000000000, 0.0001234700000000, 0.0011975200000000 ] - [ 0.0017542800000000, 0.0096978800000000, 0.0170497500000000 ] - [ -0.0014160800000000, 0.0097096200000000, -0.0170033400000000 ] - [ -0.0033897800000000, 0.0000895400000000, -0.0023077600000000 ] - [ 0.0034017300000000, 0.0000687300000000, 0.0023063900000000 ] - [ 0.0033897800000000, 0.0000895400000000, 0.0023077600000000 ] - [ -0.0034017300000000, 0.0000687300000000, -0.0023063900000000 ] - [ -0.0000072300000000, -0.0132978500000000, -0.0000274200000000 ] - [ -0.0000009400000000, 0.0062863600000000, 0.0000129200000000 ] - [ 0.0000072300000000, -0.0132978500000000, 0.0000274200000000 ] - [ 0.0000009400000000, 0.0062863600000000, -0.0000129200000000 ] - [ 0.0000000000000000, -0.0269690200000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0096302500000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0004940600000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0004524400000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0005689700000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0005422600000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000077600000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000035500000000, 0.0000000000000000 ]- atom: 89 displacement: [ -0.0005882137232583, 0.0000000000000000, 0.0099826852407441 ] forces: - [ -0.0002300100000000, -0.0004979000000000, -0.0021610000000000 ] - [ 0.0004588200000000, 0.0005729900000000, -0.0020777700000000 ] - [ 0.0017606200000000, 0.0018678400000000, -0.0001337300000000 ] - [ -0.0003589000000000, -0.0010670000000000, 0.0014569400000000 ] - [ 0.0053318400000000, 0.0000000000000000, -0.0003628500000000 ] - [ 0.0013767800000000, 0.0000000000000000, 0.0018035900000000 ] - [ -0.0040745000000000, 0.0000000000000000, -0.0036932500000000 ] - [ -0.0007800400000000, 0.0000000000000000, -0.0007593200000000 ] - [ 0.0007396900000000, 0.0000000000000000, 0.0043607600000000 ] - [ -0.0005499500000000, 0.0000000000000000, 0.0024694100000000 ] - [ 0.0000893100000000, 0.0000000000000000, -0.0034760100000000 ] - [ 0.0004457700000000, 0.0000000000000000, -0.0024385900000000 ] - [ 0.0000700900000000, 0.0000000000000000, -0.0030352600000000 ] - [ 0.0004288100000000, 0.0000000000000000, -0.0019930800000000 ] - [ 0.0007981800000000, 0.0000000000000000, 0.0047587600000000 ] - [ -0.0005647900000000, 0.0000000000000000, 0.0029049900000000 ] - [ -0.0045838700000000, 0.0000000000000000, -0.0053278700000000 ] - [ -0.0012699600000000, 0.0000000000000000, -0.0023762700000000 ] - [ 0.0047719200000000, 0.0000000000000000, -0.0019860200000000 ] - [ 0.0008806000000000, 0.0000000000000000, 0.0001779100000000 ] - [ -0.0002300100000000, 0.0004979000000000, -0.0021610000000000 ] - [ 0.0004588200000000, -0.0005729900000000, -0.0020777700000000 ] - [ 0.0017606200000000, -0.0018678400000000, -0.0001337300000000 ] - [ -0.0003589000000000, 0.0010670000000000, 0.0014569400000000 ] - [ 0.0012549800000000, -0.0022453600000000, 0.0003122100000000 ] - [ -0.0008650600000000, 0.0006839800000000, 0.0018804000000000 ] - [ -0.0007304900000000, 0.0001064900000000, -0.0017500800000000 ] - [ -0.0000452500000000, -0.0009598800000000, -0.0016667600000000 ] - [ 0.0012549800000000, 0.0022453600000000, 0.0003122100000000 ] - [ -0.0008650600000000, -0.0006839800000000, 0.0018804000000000 ] - [ -0.0007304900000000, -0.0001064900000000, -0.0017500800000000 ] - [ -0.0000452500000000, 0.0009598800000000, -0.0016667600000000 ] - [ 0.0017122800000000, 0.0024240900000000, -0.0047591200000000 ] - [ 0.0005429100000000, -0.0005598700000000, -0.0019989500000000 ] - [ -0.0028562200000000, -0.0026865600000000, 0.0050040500000000 ] - [ 0.0006901200000000, 0.0047743900000000, -0.0000162100000000 ] - [ -0.0044269800000000, 0.0024933100000000, -0.0007039400000000 ] - [ -0.0044269800000000, -0.0024933100000000, -0.0007039400000000 ] - [ -0.0001224200000000, -0.0007016000000000, -0.0007010500000000 ] - [ -0.0001224200000000, 0.0007016000000000, -0.0007010500000000 ] - [ -0.0035780100000000, 0.0039167300000000, 0.0055723200000000 ] - [ -0.0035780100000000, -0.0039167300000000, 0.0055723200000000 ] - [ 0.0008447500000000, -0.0003750500000000, -0.0030178700000000 ] - [ 0.0008447500000000, 0.0003750500000000, -0.0030178700000000 ] - [ 0.0008304600000000, 0.0003773100000000, -0.0025746400000000 ] - [ 0.0008304600000000, -0.0003773100000000, -0.0025746400000000 ] - [ -0.0035874600000000, -0.0039331600000000, 0.0059506900000000 ] - [ -0.0035874600000000, 0.0039331600000000, 0.0059506900000000 ] - [ -0.0006054800000000, 0.0007048400000000, -0.0023167500000000 ] - [ -0.0006054800000000, -0.0007048400000000, -0.0023167500000000 ] - [ -0.0049119000000000, -0.0024814100000000, -0.0023340700000000 ] - [ -0.0049119000000000, 0.0024814100000000, -0.0023340700000000 ] - [ 0.0017122800000000, -0.0024240900000000, -0.0047591200000000 ] - [ 0.0005429100000000, 0.0005598700000000, -0.0019989500000000 ] - [ -0.0028562200000000, 0.0026865600000000, 0.0050040500000000 ] - [ 0.0006901200000000, -0.0047743900000000, -0.0000162100000000 ] - [ -0.0033417900000000, 0.0020884300000000, 0.0059023300000000 ] - [ 0.0001739500000000, -0.0051747800000000, 0.0004109600000000 ] - [ 0.0012031100000000, -0.0027975900000000, -0.0043371300000000 ] - [ 0.0000383800000000, 0.0001699300000000, -0.0015877900000000 ] - [ -0.0033417900000000, -0.0020884300000000, 0.0059023300000000 ] - [ 0.0001739500000000, 0.0051747800000000, 0.0004109600000000 ] - [ 0.0012031100000000, 0.0027975900000000, -0.0043371300000000 ] - [ 0.0000383800000000, -0.0001699300000000, -0.0015877900000000 ] - [ -0.0104763600000000, 0.0000000000000000, -0.0006245100000000 ] - [ 0.0002733300000000, 0.0000000000000000, -0.0040256800000000 ] - [ 0.0025781700000000, 0.0000000000000000, 0.0061440200000000 ] - [ -0.0002249900000000, 0.0000000000000000, 0.0035327200000000 ] - [ 0.0029584100000000, 0.0000000000000000, 0.0063494200000000 ] - [ 0.0001379900000000, 0.0000000000000000, 0.0037273600000000 ] - [ -0.0100467700000000, 0.0000000000000000, -0.0002993300000000 ] - [ 0.0006376100000000, 0.0000000000000000, -0.0038127600000000 ] - [ 0.0104601600000000, -0.0185204600000000, -0.0012794900000000 ] - [ 0.0104601600000000, 0.0185204600000000, -0.0012794900000000 ] - [ -0.0018749300000000, 0.0024484600000000, 0.0044118400000000 ] - [ -0.0018749300000000, -0.0024484600000000, 0.0044118400000000 ] - [ -0.0015196600000000, -0.0024609500000000, 0.0046091600000000 ] - [ -0.0015196600000000, 0.0024609500000000, 0.0046091600000000 ] - [ 0.0107426500000000, 0.0184133800000000, -0.0010186400000000 ] - [ 0.0107426500000000, -0.0184133800000000, -0.0010186400000000 ] - [ 0.0021588000000000, -0.0026024300000000, 0.0025630700000000 ] - [ 0.0021588000000000, 0.0026024300000000, 0.0025630700000000 ] - [ 0.0021615500000000, 0.0025983800000000, 0.0025845000000000 ] - [ 0.0021615500000000, -0.0025983800000000, 0.0025845000000000 ] - [ -0.0009815100000000, 0.0000000000000000, 0.0256498300000000 ] - [ -0.0011404600000000, 0.0000000000000000, 0.0037572000000000 ] - [ -0.0009816100000000, 0.0000000000000000, 0.0254202600000000 ] - [ -0.0011376900000000, 0.0000000000000000, 0.0037675700000000 ] - [ 0.0036405900000000, 0.0000000000000000, -0.0705446100000000 ] - [ -0.0014084400000000, 0.0000000000000000, -0.0066453700000000 ] - [ -0.0002987900000000, 0.0000000000000000, 0.0053217500000000 ] - [ 0.0000373800000000, 0.0000000000000000, 0.0037880100000000 ] - [ 0.0009150300000000, 0.0000092100000000, -0.0063409900000000 ] - [ 0.0009150300000000, -0.0000092100000000, -0.0063409900000000 ] - [ -0.0002324000000000, -0.0000003800000000, 0.0038511100000000 ] - [ -0.0002324000000000, 0.0000003800000000, 0.0038511100000000 ]