# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/2bd102f3-c484-469e-8058-1d13c925424e/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 KTa(GeO3)3 / P-6c2 (188) / materials id 540631](https://mdr.nims.go.jp/datasets/f9d5d86d-26a4-4513-87ff-81057c7e2556) ## 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: "P-6c2" number: 188 Hall_symbol: "P -6c 2"supercell_matrix:- [ 2, 0, 0 ]- [ 0, 2, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 7.002943130000000, 0.000000000000000, 0.000000000000000 ] # a - [ -3.501471570000000, 6.064726660000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 10.233498870000000 ] # c points: - symbol: K # 1 coordinates: [ 0.666666670000000, 0.333333330000000, 0.000000000000000 ] mass: 39.098300 - symbol: K # 2 coordinates: [ 0.666666670000000, 0.333333330000000, 0.500000000000000 ] mass: 39.098300 - symbol: Ta # 3 coordinates: [ 0.333333330000000, 0.666666670000000, 0.000000000000000 ] mass: 180.947880 - symbol: Ta # 4 coordinates: [ 0.333333330000000, 0.666666670000000, 0.500000000000000 ] mass: 180.947880 - symbol: Ge # 5 coordinates: [ 0.072811810000000, 0.782308610000000, 0.750000000000000 ] mass: 72.640000 - symbol: Ge # 6 coordinates: [ 0.217691390000000, 0.290503210000000, 0.750000000000000 ] mass: 72.640000 - symbol: Ge # 7 coordinates: [ 0.709496790000000, 0.927188190000000, 0.750000000000000 ] mass: 72.640000 - symbol: Ge # 8 coordinates: [ 0.709496790000000, 0.782308610000000, 0.250000000000000 ] mass: 72.640000 - symbol: Ge # 9 coordinates: [ 0.217691390000000, 0.927188190000000, 0.250000000000000 ] mass: 72.640000 - symbol: Ge # 10 coordinates: [ 0.072811810000000, 0.290503210000000, 0.250000000000000 ] mass: 72.640000 - symbol: O # 11 coordinates: [ 0.267454160000000, 0.066692650000000, 0.750000000000000 ] mass: 15.999400 - symbol: O # 12 coordinates: [ 0.933307350000000, 0.200761510000000, 0.750000000000000 ] mass: 15.999400 - symbol: O # 13 coordinates: [ 0.799238490000000, 0.732545840000000, 0.750000000000000 ] mass: 15.999400 - symbol: O # 14 coordinates: [ 0.799238490000000, 0.066692650000000, 0.250000000000000 ] mass: 15.999400 - symbol: O # 15 coordinates: [ 0.933307350000000, 0.732545840000000, 0.250000000000000 ] mass: 15.999400 - symbol: O # 16 coordinates: [ 0.267454160000000, 0.200761510000000, 0.250000000000000 ] mass: 15.999400 - symbol: O # 17 coordinates: [ 0.095612700000000, 0.655384930000000, 0.890353040000000 ] mass: 15.999400 - symbol: O # 18 coordinates: [ 0.344615070000000, 0.440227780000000, 0.609646960000000 ] mass: 15.999400 - symbol: O # 19 coordinates: [ 0.559772220000000, 0.904387300000000, 0.609646960000000 ] mass: 15.999400 - symbol: O # 20 coordinates: [ 0.559772220000000, 0.904387300000000, 0.890353040000000 ] mass: 15.999400 - symbol: O # 21 coordinates: [ 0.344615070000000, 0.440227780000000, 0.890353040000000 ] mass: 15.999400 - symbol: O # 22 coordinates: [ 0.559772220000000, 0.655384930000000, 0.109646960000000 ] mass: 15.999400 - symbol: O # 23 coordinates: [ 0.344615070000000, 0.904387300000000, 0.109646960000000 ] mass: 15.999400 - symbol: O # 24 coordinates: [ 0.095612700000000, 0.440227780000000, 0.109646960000000 ] mass: 15.999400 - symbol: O # 25 coordinates: [ 0.344615070000000, 0.904387300000000, 0.390353040000000 ] mass: 15.999400 - symbol: O # 26 coordinates: [ 0.095612700000000, 0.440227780000000, 0.390353040000000 ] mass: 15.999400 - symbol: O # 27 coordinates: [ 0.095612700000000, 0.655384930000000, 0.609646960000000 ] mass: 15.999400 - symbol: O # 28 coordinates: [ 0.559772220000000, 0.655384930000000, 0.390353040000000 ] mass: 15.999400 reciprocal_lattice: # without 2pi - [ 0.142797104222664, 0.082443946569224, 0.000000000000000 ] # a* - [ 0.000000000000000, 0.164887892902992, 0.000000000000000 ] # b* - [ 0.000000000000000, 0.000000000000000, 0.097718288994153 ] # c*unit_cell: lattice: - [ 7.002943130000000, 0.000000000000000, 0.000000000000000 ] # a - [ -3.501471570000000, 6.064726660000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 10.233498870000000 ] # c points: - symbol: K # 1 coordinates: [ 0.666666670000000, 0.333333330000000, 0.000000000000000 ] mass: 39.098300 reduced_to: 1 - symbol: K # 2 coordinates: [ 0.666666670000000, 0.333333330000000, 0.500000000000000 ] mass: 39.098300 reduced_to: 2 - symbol: Ta # 3 coordinates: [ 0.333333330000000, 0.666666670000000, 0.000000000000000 ] mass: 180.947880 reduced_to: 3 - symbol: Ta # 4 coordinates: [ 0.333333330000000, 0.666666670000000, 0.500000000000000 ] mass: 180.947880 reduced_to: 4 - symbol: Ge # 5 coordinates: [ 0.072811810000000, 0.782308610000000, 0.750000000000000 ] mass: 72.640000 reduced_to: 5 - symbol: Ge # 6 coordinates: [ 0.217691390000000, 0.290503210000000, 0.750000000000000 ] mass: 72.640000 reduced_to: 6 - symbol: Ge # 7 coordinates: [ 0.709496790000000, 0.927188190000000, 0.750000000000000 ] mass: 72.640000 reduced_to: 7 - symbol: Ge # 8 coordinates: [ 0.709496790000000, 0.782308610000000, 0.250000000000000 ] mass: 72.640000 reduced_to: 8 - symbol: Ge # 9 coordinates: [ 0.217691390000000, 0.927188190000000, 0.250000000000000 ] mass: 72.640000 reduced_to: 9 - symbol: Ge # 10 coordinates: [ 0.072811810000000, 0.290503210000000, 0.250000000000000 ] mass: 72.640000 reduced_to: 10 - symbol: O # 11 coordinates: [ 0.267454160000000, 0.066692650000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 11 - symbol: O # 12 coordinates: [ 0.933307350000000, 0.200761510000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 12 - symbol: O # 13 coordinates: [ 0.799238490000000, 0.732545840000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 14 coordinates: [ 0.799238490000000, 0.066692650000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 14 - symbol: O # 15 coordinates: [ 0.933307350000000, 0.732545840000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 15 - symbol: O # 16 coordinates: [ 0.267454160000000, 0.200761510000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 16 - symbol: O # 17 coordinates: [ 0.095612700000000, 0.655384930000000, 0.890353040000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 18 coordinates: [ 0.344615070000000, 0.440227780000000, 0.609646960000000 ] mass: 15.999400 reduced_to: 18 - symbol: O # 19 coordinates: [ 0.559772220000000, 0.904387300000000, 0.609646960000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 20 coordinates: [ 0.559772220000000, 0.904387300000000, 0.890353040000000 ] mass: 15.999400 reduced_to: 20 - symbol: O # 21 coordinates: [ 0.344615070000000, 0.440227780000000, 0.890353040000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 22 coordinates: [ 0.559772220000000, 0.655384930000000, 0.109646960000000 ] mass: 15.999400 reduced_to: 22 - symbol: O # 23 coordinates: [ 0.344615070000000, 0.904387300000000, 0.109646960000000 ] mass: 15.999400 reduced_to: 23 - symbol: O # 24 coordinates: [ 0.095612700000000, 0.440227780000000, 0.109646960000000 ] mass: 15.999400 reduced_to: 24 - symbol: O # 25 coordinates: [ 0.344615070000000, 0.904387300000000, 0.390353040000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 26 coordinates: [ 0.095612700000000, 0.440227780000000, 0.390353040000000 ] mass: 15.999400 reduced_to: 26 - symbol: O # 27 coordinates: [ 0.095612700000000, 0.655384930000000, 0.609646960000000 ] mass: 15.999400 reduced_to: 27 - symbol: O # 28 coordinates: [ 0.559772220000000, 0.655384930000000, 0.390353040000000 ] mass: 15.999400 reduced_to: 28supercell: lattice: - [ 14.005886260000000, 0.000000000000000, 0.000000000000000 ] # a - [ -7.002943140000000, 12.129453320000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 10.233498870000000 ] # c points: - symbol: K # 1 coordinates: [ 0.333333335000000, 0.166666665000000, 0.000000000000000 ] mass: 39.098300 reduced_to: 1 - symbol: K # 2 coordinates: [ 0.833333335000000, 0.166666665000000, 0.000000000000000 ] mass: 39.098300 reduced_to: 1 - symbol: K # 3 coordinates: [ 0.333333335000000, 0.666666665000000, 0.000000000000000 ] mass: 39.098300 reduced_to: 1 - symbol: K # 4 coordinates: [ 0.833333335000000, 0.666666665000000, 0.000000000000000 ] mass: 39.098300 reduced_to: 1 - symbol: K # 5 coordinates: [ 0.333333335000000, 0.166666665000000, 0.500000000000000 ] mass: 39.098300 reduced_to: 5 - symbol: K # 6 coordinates: [ 0.833333335000000, 0.166666665000000, 0.500000000000000 ] mass: 39.098300 reduced_to: 5 - symbol: K # 7 coordinates: [ 0.333333335000000, 0.666666665000000, 0.500000000000000 ] mass: 39.098300 reduced_to: 5 - symbol: K # 8 coordinates: [ 0.833333335000000, 0.666666665000000, 0.500000000000000 ] mass: 39.098300 reduced_to: 5 - symbol: Ta # 9 coordinates: [ 0.166666665000000, 0.333333335000000, 0.000000000000000 ] mass: 180.947880 reduced_to: 9 - symbol: Ta # 10 coordinates: [ 0.666666665000000, 0.333333335000000, 0.000000000000000 ] mass: 180.947880 reduced_to: 9 - symbol: Ta # 11 coordinates: [ 0.166666665000000, 0.833333335000000, 0.000000000000000 ] mass: 180.947880 reduced_to: 9 - symbol: Ta # 12 coordinates: [ 0.666666665000000, 0.833333335000000, 0.000000000000000 ] mass: 180.947880 reduced_to: 9 - symbol: Ta # 13 coordinates: [ 0.166666665000000, 0.333333335000000, 0.500000000000000 ] mass: 180.947880 reduced_to: 13 - symbol: Ta # 14 coordinates: [ 0.666666665000000, 0.333333335000000, 0.500000000000000 ] mass: 180.947880 reduced_to: 13 - symbol: Ta # 15 coordinates: [ 0.166666665000000, 0.833333335000000, 0.500000000000000 ] mass: 180.947880 reduced_to: 13 - symbol: Ta # 16 coordinates: [ 0.666666665000000, 0.833333335000000, 0.500000000000000 ] mass: 180.947880 reduced_to: 13 - symbol: Ge # 17 coordinates: [ 0.036405905000000, 0.391154305000000, 0.750000000000000 ] mass: 72.640000 reduced_to: 17 - symbol: Ge # 18 coordinates: [ 0.536405905000000, 0.391154305000000, 0.750000000000000 ] mass: 72.640000 reduced_to: 17 - symbol: Ge # 19 coordinates: [ 0.036405905000000, 0.891154305000000, 0.750000000000000 ] mass: 72.640000 reduced_to: 17 - symbol: Ge # 20 coordinates: [ 0.536405905000000, 0.891154305000000, 0.750000000000000 ] mass: 72.640000 reduced_to: 17 - symbol: Ge # 21 coordinates: [ 0.108845695000000, 0.145251605000000, 0.750000000000000 ] mass: 72.640000 reduced_to: 21 - symbol: Ge # 22 coordinates: [ 0.608845695000000, 0.145251605000000, 0.750000000000000 ] mass: 72.640000 reduced_to: 21 - symbol: Ge # 23 coordinates: [ 0.108845695000000, 0.645251605000000, 0.750000000000000 ] mass: 72.640000 reduced_to: 21 - symbol: Ge # 24 coordinates: [ 0.608845695000000, 0.645251605000000, 0.750000000000000 ] mass: 72.640000 reduced_to: 21 - symbol: Ge # 25 coordinates: [ 0.354748395000000, 0.463594095000000, 0.750000000000000 ] mass: 72.640000 reduced_to: 25 - symbol: Ge # 26 coordinates: [ 0.854748395000000, 0.463594095000000, 0.750000000000000 ] mass: 72.640000 reduced_to: 25 - symbol: Ge # 27 coordinates: [ 0.354748395000000, 0.963594095000000, 0.750000000000000 ] mass: 72.640000 reduced_to: 25 - symbol: Ge # 28 coordinates: [ 0.854748395000000, 0.963594095000000, 0.750000000000000 ] mass: 72.640000 reduced_to: 25 - symbol: Ge # 29 coordinates: [ 0.354748395000000, 0.391154305000000, 0.250000000000000 ] mass: 72.640000 reduced_to: 29 - symbol: Ge # 30 coordinates: [ 0.854748395000000, 0.391154305000000, 0.250000000000000 ] mass: 72.640000 reduced_to: 29 - symbol: Ge # 31 coordinates: [ 0.354748395000000, 0.891154305000000, 0.250000000000000 ] mass: 72.640000 reduced_to: 29 - symbol: Ge # 32 coordinates: [ 0.854748395000000, 0.891154305000000, 0.250000000000000 ] mass: 72.640000 reduced_to: 29 - symbol: Ge # 33 coordinates: [ 0.108845695000000, 0.463594095000000, 0.250000000000000 ] mass: 72.640000 reduced_to: 33 - symbol: Ge # 34 coordinates: [ 0.608845695000000, 0.463594095000000, 0.250000000000000 ] mass: 72.640000 reduced_to: 33 - symbol: Ge # 35 coordinates: [ 0.108845695000000, 0.963594095000000, 0.250000000000000 ] mass: 72.640000 reduced_to: 33 - symbol: Ge # 36 coordinates: [ 0.608845695000000, 0.963594095000000, 0.250000000000000 ] mass: 72.640000 reduced_to: 33 - symbol: Ge # 37 coordinates: [ 0.036405905000000, 0.145251605000000, 0.250000000000000 ] mass: 72.640000 reduced_to: 37 - symbol: Ge # 38 coordinates: [ 0.536405905000000, 0.145251605000000, 0.250000000000000 ] mass: 72.640000 reduced_to: 37 - symbol: Ge # 39 coordinates: [ 0.036405905000000, 0.645251605000000, 0.250000000000000 ] mass: 72.640000 reduced_to: 37 - symbol: Ge # 40 coordinates: [ 0.536405905000000, 0.645251605000000, 0.250000000000000 ] mass: 72.640000 reduced_to: 37 - symbol: O # 41 coordinates: [ 0.133727080000000, 0.033346325000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 42 coordinates: [ 0.633727080000000, 0.033346325000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 43 coordinates: [ 0.133727080000000, 0.533346325000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 44 coordinates: [ 0.633727080000000, 0.533346325000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 45 coordinates: [ 0.466653675000000, 0.100380755000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 46 coordinates: [ 0.966653675000000, 0.100380755000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 47 coordinates: [ 0.466653675000000, 0.600380755000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 48 coordinates: [ 0.966653675000000, 0.600380755000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 49 coordinates: [ 0.399619245000000, 0.366272920000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 50 coordinates: [ 0.899619245000000, 0.366272920000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 51 coordinates: [ 0.399619245000000, 0.866272920000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 52 coordinates: [ 0.899619245000000, 0.866272920000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 53 coordinates: [ 0.399619245000000, 0.033346325000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 54 coordinates: [ 0.899619245000000, 0.033346325000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 55 coordinates: [ 0.399619245000000, 0.533346325000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 56 coordinates: [ 0.899619245000000, 0.533346325000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 57 coordinates: [ 0.466653675000000, 0.366272920000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 58 coordinates: [ 0.966653675000000, 0.366272920000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 59 coordinates: [ 0.466653675000000, 0.866272920000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 60 coordinates: [ 0.966653675000000, 0.866272920000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 61 coordinates: [ 0.133727080000000, 0.100380755000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 62 coordinates: [ 0.633727080000000, 0.100380755000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 63 coordinates: [ 0.133727080000000, 0.600380755000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 64 coordinates: [ 0.633727080000000, 0.600380755000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 65 coordinates: [ 0.047806350000000, 0.327692465000000, 0.890353040000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 66 coordinates: [ 0.547806350000000, 0.327692465000000, 0.890353040000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 67 coordinates: [ 0.047806350000000, 0.827692465000000, 0.890353040000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 68 coordinates: [ 0.547806350000000, 0.827692465000000, 0.890353040000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 69 coordinates: [ 0.172307535000000, 0.220113890000000, 0.609646960000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 70 coordinates: [ 0.672307535000000, 0.220113890000000, 0.609646960000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 71 coordinates: [ 0.172307535000000, 0.720113890000000, 0.609646960000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 72 coordinates: [ 0.672307535000000, 0.720113890000000, 0.609646960000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 73 coordinates: [ 0.279886110000000, 0.452193650000000, 0.609646960000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 74 coordinates: [ 0.779886110000000, 0.452193650000000, 0.609646960000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 75 coordinates: [ 0.279886110000000, 0.952193650000000, 0.609646960000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 76 coordinates: [ 0.779886110000000, 0.952193650000000, 0.609646960000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 77 coordinates: [ 0.279886110000000, 0.452193650000000, 0.890353040000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 78 coordinates: [ 0.779886110000000, 0.452193650000000, 0.890353040000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 79 coordinates: [ 0.279886110000000, 0.952193650000000, 0.890353040000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 80 coordinates: [ 0.779886110000000, 0.952193650000000, 0.890353040000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 81 coordinates: [ 0.172307535000000, 0.220113890000000, 0.890353040000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 82 coordinates: [ 0.672307535000000, 0.220113890000000, 0.890353040000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 83 coordinates: [ 0.172307535000000, 0.720113890000000, 0.890353040000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 84 coordinates: [ 0.672307535000000, 0.720113890000000, 0.890353040000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 85 coordinates: [ 0.279886110000000, 0.327692465000000, 0.109646960000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 86 coordinates: [ 0.779886110000000, 0.327692465000000, 0.109646960000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 87 coordinates: [ 0.279886110000000, 0.827692465000000, 0.109646960000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 88 coordinates: [ 0.779886110000000, 0.827692465000000, 0.109646960000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 89 coordinates: [ 0.172307535000000, 0.452193650000000, 0.109646960000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 90 coordinates: [ 0.672307535000000, 0.452193650000000, 0.109646960000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 91 coordinates: [ 0.172307535000000, 0.952193650000000, 0.109646960000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 92 coordinates: [ 0.672307535000000, 0.952193650000000, 0.109646960000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 93 coordinates: [ 0.047806350000000, 0.220113890000000, 0.109646960000000 ] mass: 15.999400 reduced_to: 93 - symbol: O # 94 coordinates: [ 0.547806350000000, 0.220113890000000, 0.109646960000000 ] mass: 15.999400 reduced_to: 93 - symbol: O # 95 coordinates: [ 0.047806350000000, 0.720113890000000, 0.109646960000000 ] mass: 15.999400 reduced_to: 93 - symbol: O # 96 coordinates: [ 0.547806350000000, 0.720113890000000, 0.109646960000000 ] mass: 15.999400 reduced_to: 93 - symbol: O # 97 coordinates: [ 0.172307535000000, 0.452193650000000, 0.390353040000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 98 coordinates: [ 0.672307535000000, 0.452193650000000, 0.390353040000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 99 coordinates: [ 0.172307535000000, 0.952193650000000, 0.390353040000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 100 coordinates: [ 0.672307535000000, 0.952193650000000, 0.390353040000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 101 coordinates: [ 0.047806350000000, 0.220113890000000, 0.390353040000000 ] mass: 15.999400 reduced_to: 101 - symbol: O # 102 coordinates: [ 0.547806350000000, 0.220113890000000, 0.390353040000000 ] mass: 15.999400 reduced_to: 101 - symbol: O # 103 coordinates: [ 0.047806350000000, 0.720113890000000, 0.390353040000000 ] mass: 15.999400 reduced_to: 101 - symbol: O # 104 coordinates: [ 0.547806350000000, 0.720113890000000, 0.390353040000000 ] mass: 15.999400 reduced_to: 101 - symbol: O # 105 coordinates: [ 0.047806350000000, 0.327692465000000, 0.609646960000000 ] mass: 15.999400 reduced_to: 105 - symbol: O # 106 coordinates: [ 0.547806350000000, 0.327692465000000, 0.609646960000000 ] mass: 15.999400 reduced_to: 105 - symbol: O # 107 coordinates: [ 0.047806350000000, 0.827692465000000, 0.609646960000000 ] mass: 15.999400 reduced_to: 105 - symbol: O # 108 coordinates: [ 0.547806350000000, 0.827692465000000, 0.609646960000000 ] mass: 15.999400 reduced_to: 105 - symbol: O # 109 coordinates: [ 0.279886110000000, 0.327692465000000, 0.390353040000000 ] mass: 15.999400 reduced_to: 109 - symbol: O # 110 coordinates: [ 0.779886110000000, 0.327692465000000, 0.390353040000000 ] mass: 15.999400 reduced_to: 109 - symbol: O # 111 coordinates: [ 0.279886110000000, 0.827692465000000, 0.390353040000000 ] mass: 15.999400 reduced_to: 109 - symbol: O # 112 coordinates: [ 0.779886110000000, 0.827692465000000, 0.390353040000000 ] mass: 15.999400 reduced_to: 109born_effective_charge:- # 1 (K) - [ 1.387764100000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 1.387764100000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 1.052717470000000 ]- # 2 (K) - [ 1.387764100000000, -0.000000000000000, 0.000000000000000 ] - [ -0.000000000000000, 1.387764100000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 1.052717470000000 ]- # 3 (Ta) - [ 5.653315170000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 5.653315170000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 7.992213080000000 ]- # 4 (Ta) - [ 5.653315170000000, -0.000000000000000, 0.000000000000000 ] - [ -0.000000000000001, 5.653315170000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 7.992213080000000 ]- # 5 (Ge) - [ 3.903319560000000, -1.085985340000000, 0.000000000000000 ] - [ -0.352142420000000, 3.210997360000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 3.714035500000000 ]- # 6 (Ge) - [ 2.761350323857617, -0.307173824891070, 0.000000000000000 ] - [ 0.426669091129614, 4.352966596142382, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 3.714035500000000 ]- # 7 (Ge) - [ 4.006805497049896, 0.292394787169043, 0.000000000000000 ] - [ 1.026237703629458, 3.107511422950104, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 3.714035500000000 ]- # 8 (Ge) - [ 3.903319558209342, 1.085985340000000, 0.000000000000000 ] - [ 0.352142421141556, 3.210997361790658, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 3.714035500000000 ]- # 9 (Ge) - [ 4.006805497532019, -0.292394787169043, 0.000000000000000 ] - [ -1.026237702146630, 3.107511422467979, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 3.714035500000000 ]- # 10 (Ge) - [ 2.761350323351125, 0.307173824891069, 0.000000000000000 ] - [ -0.426669093753997, 4.352966596648875, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 3.714035500000000 ]- # 11 (O) - [ -1.426973210000000, 0.811436710000000, 0.000000000000000 ] - [ 0.472930740000000, -2.861827890000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -1.068728000000000 ]- # 12 (O) - [ -1.946966800659661, -0.773149180792585, 0.000000000000000 ] - [ -1.111655147384721, -2.341834299340339, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -1.068728000000000 ]- # 13 (O) - [ -3.059261639758955, 0.469471425657511, 0.000000000000000 ] - [ 0.130965453886542, -1.229539460241045, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -1.068728000000000 ]- # 14 (O) - [ -1.426973208662039, -0.811436710000000, 0.000000000000000 ] - [ -0.472930737634098, -2.861827891337961, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -1.068728000000000 ]- # 15 (O) - [ -3.059261638984853, -0.469471425657511, 0.000000000000000 ] - [ -0.130965456903532, -1.229539461015146, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -1.068728000000000 ]- # 16 (O) - [ -1.946966801934491, 0.773149180792585, 0.000000000000000 ] - [ 1.111655148035810, -2.341834298065509, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -1.068728000000000 ]- # 17 (O) - [ -2.565701360000000, 0.261791240000000, -1.197599280000000 ] - [ 0.308279770000000, -1.194082980000000, 0.409932410000000 ] - [ -1.570696060000000, 0.357856590000000, -2.830142180000000 ]- # 18 (O) - [ -1.290139586633636, 0.428166162330794, -0.243787757772556 ] - [ 0.474654693986205, -2.469644753366364, 1.242117603930776 ] - [ -0.475435133686882, 1.539190986159349, -2.830142180000000 ]- # 19 (O) - [ -1.783835563308873, -0.759690200271725, -0.953811522227444 ] - [ -0.713201666232976, -1.975948776691127, -0.832185193930776 ] - [ -1.095260926313118, -1.181334396159349, -2.830142180000000 ]- # 20 (O) - [ -1.783835563308873, -0.759690200271725, 0.953811522227444 ] - [ -0.713201666232976, -1.975948776691127, 0.832185193930776 ] - [ 1.095260926313118, 1.181334396159349, -2.830142180000000 ]- # 21 (O) - [ -1.290139586633636, 0.428166162330794, 0.243787757772556 ] - [ 0.474654693986205, -2.469644753366364, -1.242117603930776 ] - [ 0.475435133686882, -1.539190986159349, -2.830142180000000 ]- # 22 (O) - [ -2.565701359568338, -0.261791240000000, -1.197599280000000 ] - [ -0.308279772261633, -1.194082980431662, -0.409932411974696 ] - [ -1.570696059409938, -0.357856590000000, -2.830142180000000 ]- # 23 (O) - [ -1.783835564561510, 0.759690200271725, 0.953811522227444 ] - [ 0.713201666549747, -1.975948775438489, -0.832185192358056 ] - [ 1.095260928260995, -1.181334396159349, -2.830142180000000 ]- # 24 (O) - [ -1.290139585927642, -0.428166162330794, 0.243787757772556 ] - [ -0.474654692041344, -2.469644754072358, 1.242117604332752 ] - [ 0.475435131148943, 1.539190986159349, -2.830142180000000 ]- # 25 (O) - [ -1.783835564561510, 0.759690200271725, -0.953811522227444 ] - [ 0.713201666549747, -1.975948775438489, 0.832185192358056 ] - [ -1.095260928260995, 1.181334396159349, -2.830142180000000 ]- # 26 (O) - [ -1.290139585927642, -0.428166162330794, -0.243787757772556 ] - [ -0.474654692041344, -2.469644754072358, -1.242117604332752 ] - [ -0.475435131148943, -1.539190986159349, -2.830142180000000 ]- # 27 (O) - [ -2.565701360000000, 0.261791240000000, 1.197599280000000 ] - [ 0.308279770000000, -1.194082980000000, -0.409932410000000 ] - [ 1.570696060000000, -0.357856590000000, -2.830142180000000 ]- # 28 (O) - [ -2.565701359568338, -0.261791240000000, 1.197599280000000 ] - [ -0.308279772261633, -1.194082980431662, 0.409932411974696 ] - [ 1.570696059409938, 0.357856590000000, -2.830142180000000 ]dielectric_constant: - [ 3.097307130000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 3.097307130000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 3.483533300000000 ]displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0130363700000000, -0.0001120800000000, -0.0000009800000000 ] - [ 0.0010307200000000, 0.0000007400000000, -0.0000075300000000 ] - [ 0.0000588200000000, -0.0005600200000000, 0.0000037900000000 ] - [ 0.0000602800000000, 0.0005621200000000, 0.0000037900000000 ] - [ -0.0010667000000000, 0.0000007000000000, 0.0000000000000000 ] - [ 0.0006732700000000, 0.0000007900000000, 0.0000206500000000 ] - [ 0.0000296900000000, -0.0003709000000000, -0.0000102300000000 ] - [ 0.0000304500000000, 0.0003724000000000, -0.0000103400000000 ] - [ 0.0079076600000000, -0.0072051800000000, -0.0009503800000000 ] - [ 0.0079404700000000, 0.0072650400000000, -0.0009584300000000 ] - [ -0.0045965700000000, 0.0000296500000000, 0.0019094100000000 ] - [ 0.0012891700000000, 0.0000012600000000, -0.0000021000000000 ] - [ 0.0009482000000000, -0.0018399600000000, 0.0000753800000000 ] - [ 0.0009475300000000, 0.0018499200000000, 0.0000736100000000 ] - [ -0.0022378000000000, 0.0000055600000000, -0.0001507300000000 ] - [ 0.0012178000000000, 0.0000007700000000, 0.0000010900000000 ] - [ 0.0020202800000000, -0.0006899600000000, 0.0008645800000000 ] - [ -0.0035245800000000, 0.0028959200000000, -0.0031278400000000 ] - [ -0.0002777800000000, 0.0033796800000000, 0.0003903300000000 ] - [ 0.0008821400000000, -0.0009747400000000, -0.0000708100000000 ] - [ 0.0027732000000000, 0.0014056400000000, 0.0052291600000000 ] - [ 0.0022662800000000, -0.0005569500000000, -0.0016904300000000 ] - [ 0.0004603000000000, -0.0005538500000000, -0.0000253600000000 ] - [ -0.0013082700000000, 0.0004155000000000, 0.0000015100000000 ] - [ -0.0015967700000000, -0.0012230100000000, 0.0012920000000000 ] - [ 0.0021662600000000, 0.0003018300000000, -0.0008369700000000 ] - [ -0.0008679200000000, -0.0037283400000000, -0.0021125300000000 ] - [ 0.0018038800000000, 0.0011902000000000, 0.0000683200000000 ] - [ -0.0034929100000000, -0.0022935100000000, -0.0031288700000000 ] - [ 0.0020383700000000, 0.0013015300000000, 0.0008649100000000 ] - [ -0.0002698700000000, -0.0027765600000000, 0.0003870800000000 ] - [ 0.0009015000000000, 0.0015780100000000, -0.0000700100000000 ] - [ 0.0016219700000000, -0.0005873400000000, -0.0008364000000000 ] - [ -0.0021546600000000, 0.0009284400000000, 0.0012960000000000 ] - [ -0.0013770100000000, 0.0034266700000000, -0.0021254300000000 ] - [ 0.0012647300000000, -0.0014825000000000, 0.0000692700000000 ] - [ 0.0027706000000000, 0.0002230600000000, -0.0016752700000000 ] - [ 0.0032969800000000, -0.0017429700000000, 0.0052658400000000 ] - [ 0.0009711500000000, 0.0002295400000000, -0.0000306100000000 ] - [ -0.0008025900000000, -0.0007501400000000, 0.0000010700000000 ] - [ -0.0003824600000000, -0.0016782700000000, -0.0015476700000000 ] - [ -0.0009305900000000, 0.0016347900000000, 0.0001362100000000 ] - [ -0.0006638700000000, 0.0012636800000000, -0.0001192200000000 ] - [ 0.0007032700000000, -0.0006175700000000, 0.0003706600000000 ] - [ -0.0014151400000000, 0.0008293800000000, 0.0017920900000000 ] - [ -0.0019965200000000, -0.0016966900000000, -0.0004719400000000 ] - [ 0.0002937800000000, 0.0000699300000000, -0.0001010200000000 ] - [ -0.0011585300000000, -0.0009026100000000, 0.0000975600000000 ] - [ 0.0031353700000000, -0.0001371600000000, -0.0002407900000000 ] - [ -0.0009291700000000, -0.0000061000000000, 0.0000211200000000 ] - [ 0.0002779800000000, 0.0005682900000000, 0.0001026200000000 ] - [ 0.0001742800000000, -0.0008259600000000, -0.0000342700000000 ] - [ -0.0001044000000000, 0.0029623200000000, -0.0015513600000000 ] - [ -0.0006605600000000, -0.0003476500000000, 0.0001349500000000 ] - [ 0.0009792500000000, 0.0019245200000000, 0.0003695600000000 ] - [ -0.0003919000000000, 0.0000263700000000, -0.0001186700000000 ] - [ 0.0019201200000000, -0.0002679500000000, -0.0002356900000000 ] - [ -0.0021560500000000, -0.0004074800000000, 0.0000210000000000 ] - [ -0.0010507000000000, 0.0004167800000000, -0.0000343500000000 ] - [ -0.0009501800000000, -0.0009740100000000, 0.0001042400000000 ] - [ -0.0004460100000000, -0.0016960100000000, 0.0017835300000000 ] - [ -0.0010153500000000, 0.0008269000000000, -0.0004748300000000 ] - [ -0.0001876600000000, 0.0000367200000000, 0.0000984100000000 ] - [ 0.0012562000000000, -0.0009274300000000, -0.0001012600000000 ] - [ -0.0030570600000000, 0.0007414200000000, -0.0014475500000000 ] - [ 0.0001112800000000, -0.0011366400000000, 0.0006365600000000 ] - [ 0.0001851900000000, -0.0006218200000000, 0.0000418500000000 ] - [ -0.0014196600000000, 0.0002952200000000, -0.0006274900000000 ] - [ 0.0001739300000000, 0.0000252300000000, -0.0012711000000000 ] - [ 0.0000352100000000, -0.0011644800000000, 0.0008345000000000 ] - [ 0.0005039900000000, -0.0006608200000000, 0.0003497300000000 ] - [ 0.0004629200000000, -0.0009809600000000, 0.0003815000000000 ] - [ 0.0007802700000000, 0.0012917900000000, 0.0004035100000000 ] - [ -0.0000527700000000, 0.0002042900000000, 0.0001295300000000 ] - [ 0.0014900300000000, 0.0015009400000000, 0.0011728500000000 ] - [ -0.0002364000000000, 0.0002536300000000, -0.0001228800000000 ] - [ 0.0009863100000000, 0.0026067900000000, -0.0015509600000000 ] - [ -0.0010448300000000, -0.0008614100000000, 0.0009765800000000 ] - [ 0.0028236200000000, 0.0025997400000000, -0.0010895200000000 ] - [ -0.0002496200000000, 0.0002482000000000, 0.0000704300000000 ] - [ -0.0006429300000000, 0.0008635000000000, -0.0005060900000000 ] - [ -0.0009493400000000, -0.0005719500000000, 0.0006037300000000 ] - [ 0.0005986700000000, -0.0005797600000000, -0.0004420800000000 ] - [ 0.0004639600000000, -0.0009678400000000, -0.0003516800000000 ] - [ 0.0017598400000000, 0.0012094000000000, 0.0012543800000000 ] - [ -0.0013341800000000, -0.0007176500000000, -0.0008432500000000 ] - [ 0.0019133100000000, 0.0006489200000000, 0.0006562800000000 ] - [ 0.0003004500000000, -0.0002677300000000, -0.0000218200000000 ] - [ -0.0019255200000000, 0.0023394400000000, 0.0015772500000000 ] - [ 0.0001103300000000, -0.0011348600000000, -0.0009516500000000 ] - [ 0.0019278300000000, -0.0011493300000000, -0.0004659100000000 ] - [ -0.0011310800000000, 0.0012317600000000, 0.0006756800000000 ] - [ -0.0017858000000000, -0.0009393700000000, 0.0012093000000000 ] - [ -0.0013336000000000, -0.0023289000000000, 0.0001577000000000 ] - [ -0.0002432200000000, -0.0009398700000000, 0.0001800700000000 ] - [ -0.0003730000000000, -0.0005441300000000, 0.0002715400000000 ] - [ -0.0009324400000000, 0.0012755800000000, -0.0004739300000000 ] - [ -0.0000966400000000, 0.0001891300000000, -0.0001993200000000 ] - [ 0.0006040700000000, -0.0000217400000000, 0.0005657700000000 ] - [ -0.0011178400000000, 0.0012272200000000, -0.0007289700000000 ] - [ -0.0008068900000000, -0.0003441700000000, 0.0002205900000000 ] - [ -0.0006665200000000, -0.0015287700000000, -0.0018835900000000 ] - [ -0.0003361600000000, -0.0008494000000000, -0.0002667900000000 ] - [ -0.0003729100000000, -0.0005303600000000, -0.0002426200000000 ] - [ -0.0016110900000000, 0.0002895600000000, 0.0004333300000000 ] - [ -0.0004732300000000, -0.0003360000000000, 0.0010162700000000 ] - [ -0.0000522600000000, -0.0005487300000000, -0.0003288300000000 ] - [ -0.0013987100000000, 0.0002782600000000, 0.0006517500000000 ] - [ 0.0012476000000000, 0.0003560300000000, 0.0004136800000000 ] - [ 0.0001109000000000, -0.0002663800000000, -0.0001727200000000 ] - [ 0.0016692800000000, 0.0005768400000000, -0.0009382700000000 ] - [ 0.0003216600000000, -0.0002515600000000, 0.0000452700000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0081261800000000 ] - [ -0.0000074600000000, 0.0000006300000000, -0.0001834900000000 ] - [ 0.0000031800000000, -0.0000067700000000, -0.0001834900000000 ] - [ 0.0000042700000000, 0.0000061400000000, -0.0001834900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0019626300000000 ] - [ -0.0000203700000000, 0.0000003300000000, 0.0001710400000000 ] - [ 0.0000099000000000, -0.0000178100000000, 0.0001710400000000 ] - [ 0.0000104700000000, 0.0000174800000000, 0.0001710400000000 ] - [ -0.0006387400000000, -0.0011359100000000, -0.0055563800000000 ] - [ -0.0006643600000000, 0.0011211200000000, -0.0055563800000000 ] - [ 0.0013031000000000, 0.0000147900000000, -0.0055563800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012139200000000 ] - [ 0.0000018000000000, 0.0000176000000000, 0.0026606600000000 ] - [ 0.0000143500000000, -0.0000103600000000, 0.0026606600000000 ] - [ -0.0000161400000000, -0.0000072400000000, 0.0026606600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012156800000000 ] - [ 0.0000681700000000, 0.0002613800000000, 0.0000698200000000 ] - [ -0.0026799800000000, -0.0026739200000000, 0.0020574700000000 ] - [ 0.0002714000000000, 0.0031133000000000, 0.0001185500000000 ] - [ -0.0006970400000000, 0.0008285300000000, -0.0000057400000000 ] - [ 0.0036556700000000, -0.0009839700000000, 0.0020574700000000 ] - [ -0.0028318900000000, -0.0013216100000000, 0.0001185500000000 ] - [ -0.0002604500000000, -0.0000716500000000, 0.0000698200000000 ] - [ -0.0003690000000000, -0.0010179200000000, -0.0000057400000000 ] - [ 0.0025605000000000, -0.0017916900000000, 0.0001185500000000 ] - [ 0.0001922800000000, -0.0001897300000000, 0.0000698200000000 ] - [ -0.0009756900000000, 0.0036578900000000, 0.0020574700000000 ] - [ 0.0010660500000000, 0.0001894000000000, -0.0000057400000000 ] - [ -0.0026807400000000, 0.0032936500000000, 0.0020447000000000 ] - [ 0.0000888600000000, 0.0003483900000000, 0.0000642600000000 ] - [ 0.0002853900000000, -0.0025192800000000, 0.0001113100000000 ] - [ -0.0006731100000000, -0.0002240000000000, -0.0000066600000000 ] - [ -0.0003461400000000, -0.0000972400000000, 0.0000642600000000 ] - [ 0.0020390600000000, 0.0015068000000000, 0.0001113100000000 ] - [ -0.0015120100000000, -0.0039684100000000, 0.0020447000000000 ] - [ 0.0005305400000000, -0.0004709400000000, -0.0000066600000000 ] - [ -0.0023244600000000, 0.0010124800000000, 0.0001113100000000 ] - [ 0.0041927500000000, 0.0006747600000000, 0.0020447000000000 ] - [ 0.0002572800000000, -0.0002511400000000, 0.0000642600000000 ] - [ 0.0001425700000000, 0.0006949300000000, -0.0000066600000000 ] - [ -0.0017048200000000, -0.0010715600000000, -0.0009985700000000 ] - [ 0.0005049300000000, 0.0003399800000000, 0.0000186900000000 ] - [ -0.0001475300000000, 0.0006594400000000, -0.0000101000000000 ] - [ 0.0001265300000000, 0.0014379700000000, -0.0000947600000000 ] - [ 0.0017804100000000, -0.0009406400000000, -0.0009985700000000 ] - [ -0.0013085900000000, -0.0006094000000000, -0.0000947600000000 ] - [ -0.0005468900000000, 0.0002672900000000, 0.0000186900000000 ] - [ -0.0004973300000000, -0.0004574800000000, -0.0000101000000000 ] - [ -0.0000755900000000, 0.0020122000000000, -0.0009985700000000 ] - [ 0.0006448600000000, -0.0002019600000000, -0.0000101000000000 ] - [ 0.0011820500000000, -0.0008285700000000, -0.0000947600000000 ] - [ 0.0000419700000000, -0.0006072700000000, 0.0000186900000000 ] - [ -0.0014462000000000, 0.0023632000000000, -0.0009918800000000 ] - [ 0.0007668000000000, 0.0009324000000000, 0.0000195400000000 ] - [ 0.0003909600000000, -0.0001609200000000, -0.0000923600000000 ] - [ 0.0001127900000000, 0.0006189000000000, -0.0000088800000000 ] - [ -0.0013235000000000, -0.0024340500000000, -0.0009918800000000 ] - [ -0.0005923800000000, -0.0002117800000000, -0.0000088800000000 ] - [ -0.0011908900000000, 0.0001978700000000, 0.0000195400000000 ] - [ -0.0000561200000000, 0.0004190400000000, -0.0000923600000000 ] - [ 0.0027696900000000, 0.0000708400000000, -0.0009918800000000 ] - [ -0.0003348400000000, -0.0002581200000000, -0.0000923600000000 ] - [ 0.0004795900000000, -0.0004071300000000, -0.0000088800000000 ] - [ 0.0004240900000000, -0.0011302700000000, 0.0000195400000000 ] - [ -0.0008415900000000, 0.0001539800000000, 0.0000606500000000 ] - [ 0.0013160900000000, 0.0003774700000000, 0.0020496700000000 ] - [ -0.0005143300000000, -0.0005327000000000, 0.0006164600000000 ] - [ -0.0005488200000000, -0.0000697600000000, 0.0000473800000000 ] - [ -0.0003337300000000, 0.0001830300000000, -0.0009996500000000 ] - [ 0.0005881900000000, -0.0000883300000000, -0.0004388900000000 ] - [ 0.0003678100000000, -0.0007017800000000, 0.0000356000000000 ] - [ 0.0003323300000000, -0.0004298900000000, -0.0000553800000000 ] - [ -0.0002175900000000, 0.0005535500000000, -0.0004388900000000 ] - [ 0.0004238500000000, 0.0006694200000000, 0.0000356000000000 ] - [ 0.0000083600000000, -0.0003805400000000, -0.0009996500000000 ] - [ 0.0002061400000000, 0.0005027500000000, -0.0000553800000000 ] - [ -0.0002041700000000, 0.0007117700000000, 0.0006164600000000 ] - [ 0.0005541500000000, 0.0006518500000000, 0.0000606500000000 ] - [ -0.0003311500000000, -0.0013285000000000, 0.0020496700000000 ] - [ 0.0002140000000000, 0.0005101700000000, 0.0000473800000000 ] - [ -0.0009849400000000, 0.0009510400000000, 0.0020496700000000 ] - [ 0.0007185000000000, -0.0001790700000000, 0.0006164600000000 ] - [ 0.0002874400000000, -0.0008058300000000, 0.0000606500000000 ] - [ 0.0003348200000000, -0.0004404100000000, 0.0000473800000000 ] - [ 0.0030133900000000, -0.0003317700000000, 0.0026822200000000 ] - [ 0.0008818600000000, -0.0001351100000000, 0.0006720900000000 ] - [ 0.0012054400000000, 0.0005491700000000, 0.0012274000000000 ] - [ 0.0011646600000000, 0.0000892900000000, 0.0006538600000000 ] - [ -0.0003239200000000, 0.0008312700000000, 0.0006720900000000 ] - [ -0.0010783100000000, 0.0007693500000000, 0.0012274000000000 ] - [ -0.0012193700000000, 0.0027755600000000, 0.0026822200000000 ] - [ -0.0006596600000000, 0.0009639800000000, 0.0006538600000000 ] - [ -0.0001271200000000, -0.0013185200000000, 0.0012274000000000 ] - [ -0.0017940200000000, -0.0024437900000000, 0.0026822200000000 ] - [ -0.0005579400000000, -0.0006961600000000, 0.0006720900000000 ] - [ -0.0005050000000000, -0.0010532700000000, 0.0006538600000000 ] - [ -0.0004470400000000, 0.0008058100000000, -0.0005700100000000 ] - [ -0.0010908200000000, 0.0009225000000000, -0.0010434000000000 ] - [ -0.0008673800000000, 0.0018704800000000, -0.0016095200000000 ] - [ -0.0006675400000000, 0.0009719700000000, -0.0006618100000000 ] - [ -0.0002535000000000, -0.0014059300000000, -0.0010434000000000 ] - [ -0.0011862000000000, -0.0016864100000000, -0.0016095200000000 ] - [ -0.0004743300000000, -0.0007900500000000, -0.0005700100000000 ] - [ -0.0005079800000000, -0.0010640900000000, -0.0006618100000000 ] - [ -0.0007916600000000, 0.0000323500000000, 0.0000356000000000 ] - [ 0.0003253700000000, 0.0001975100000000, -0.0009996500000000 ] - [ -0.0003705900000000, -0.0004652200000000, -0.0004388900000000 ] - [ -0.0005384600000000, -0.0000728600000000, -0.0000553800000000 ] - [ 0.0020535700000000, -0.0001840700000000, -0.0016095200000000 ] - [ 0.0009213700000000, -0.0000157600000000, -0.0005700100000000 ] - [ 0.0013443200000000, 0.0004834300000000, -0.0010434000000000 ] - [ 0.0011755200000000, 0.0000921300000000, -0.0006618100000000 ]- atom: 9 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0079521100000000, -0.0072600100000000, -0.0006537100000000 ] - [ 0.0078983400000000, 0.0072056300000000, -0.0006530300000000 ] - [ -0.0046024900000000, -0.0000090800000000, 0.0013066100000000 ] - [ 0.0012945700000000, 0.0000019400000000, -0.0000000800000000 ] - [ 0.0009464000000000, -0.0018423700000000, -0.0000069500000000 ] - [ 0.0009523200000000, 0.0018422400000000, -0.0000055900000000 ] - [ -0.0022419800000000, -0.0000029400000000, 0.0000125700000000 ] - [ 0.0012210900000000, 0.0000012900000000, 0.0000000800000000 ] - [ -0.3117831300000000, 0.0002280000000000, -0.0000661200000000 ] - [ 0.0162636700000000, 0.0000033200000000, -0.0008010600000000 ] - [ 0.0019206200000000, -0.0082832600000000, 0.0004003500000000 ] - [ 0.0019195100000000, 0.0082778800000000, 0.0004057800000000 ] - [ -0.0457652400000000, 0.0000140400000000, 0.0000040700000000 ] - [ 0.0119196100000000, -0.0000007200000000, 0.0016301100000000 ] - [ 0.0015654900000000, -0.0059734900000000, -0.0008149900000000 ] - [ 0.0015665100000000, 0.0059796100000000, -0.0008199100000000 ] - [ 0.0206400800000000, -0.0221525900000000, 0.0552281800000000 ] - [ 0.0108359500000000, 0.0001267700000000, -0.0015663000000000 ] - [ 0.0001917500000000, -0.0066332000000000, -0.0001647500000000 ] - [ -0.0009414700000000, 0.0022399700000000, 0.0001913000000000 ] - [ -0.0149200700000000, -0.0161059400000000, -0.0257531400000000 ] - [ 0.0023778900000000, 0.0011040300000000, 0.0005365800000000 ] - [ 0.0046566800000000, -0.0107418500000000, 0.0001684200000000 ] - [ 0.0044968000000000, 0.0043632700000000, -0.0001185100000000 ] - [ 0.0089173900000000, 0.0111911200000000, -0.0297425500000000 ] - [ 0.0126279200000000, -0.0052712800000000, 0.0002849000000000 ] - [ 0.0005289800000000, -0.0016310400000000, -0.0007336400000000 ] - [ -0.0008845600000000, -0.0003923900000000, 0.0013860000000000 ] - [ 0.0207549300000000, 0.0228537300000000, 0.0556340900000000 ] - [ 0.0108349200000000, 0.0004731400000000, -0.0015477300000000 ] - [ -0.0009314900000000, -0.0016497900000000, 0.0001908900000000 ] - [ 0.0002089600000000, 0.0072184900000000, -0.0001695200000000 ] - [ 0.0085129500000000, -0.0114853100000000, -0.0296779300000000 ] - [ 0.0121295200000000, 0.0050005500000000, 0.0002903300000000 ] - [ -0.0014193600000000, 0.0001190400000000, 0.0013917400000000 ] - [ 0.0000005400000000, 0.0013364100000000, -0.0007294100000000 ] - [ -0.0142727500000000, 0.0158038900000000, -0.0256843100000000 ] - [ 0.0028849100000000, -0.0014346000000000, 0.0005442700000000 ] - [ 0.0049890200000000, -0.0046676700000000, -0.0001217700000000 ] - [ 0.0051605100000000, 0.0104504400000000, 0.0001673300000000 ] - [ -0.0008800300000000, 0.0091737400000000, 0.0032838500000000 ] - [ -0.0005630600000000, -0.0005506700000000, -0.0002644400000000 ] - [ -0.0023490500000000, 0.0166693900000000, -0.0061176300000000 ] - [ -0.0025925700000000, -0.0006516500000000, 0.0001837800000000 ] - [ -0.0016811500000000, -0.0002798600000000, 0.0002117500000000 ] - [ 0.0090673500000000, 0.0023608600000000, 0.0013782500000000 ] - [ -0.0048677500000000, -0.0056790500000000, 0.0026250700000000 ] - [ -0.0029114500000000, 0.0018480800000000, -0.0001328900000000 ] - [ -0.0071509400000000, -0.0010196900000000, 0.0047527100000000 ] - [ -0.0138670700000000, 0.0045508900000000, -0.0058945600000000 ] - [ 0.0009677800000000, -0.0000757500000000, 0.0000540800000000 ] - [ 0.0012712900000000, 0.0002366400000000, -0.0000488400000000 ] - [ -0.0002982600000000, 0.0018412700000000, -0.0002658600000000 ] - [ -0.0006393300000000, -0.0078785900000000, 0.0032785600000000 ] - [ -0.0020799200000000, -0.0153634300000000, -0.0061335000000000 ] - [ -0.0023331400000000, 0.0019558700000000, 0.0001818500000000 ] - [ -0.0150822600000000, -0.0049968200000000, -0.0059118900000000 ] - [ -0.0083772300000000, 0.0005838100000000, 0.0047338200000000 ] - [ -0.0002612800000000, -0.0003400200000000, 0.0000542600000000 ] - [ 0.0000412000000000, -0.0006598900000000, -0.0000491300000000 ] - [ 0.0101125700000000, -0.0032616000000000, 0.0013859600000000 ] - [ -0.0007014300000000, -0.0005780500000000, 0.0002098300000000 ] - [ -0.0038787200000000, 0.0047986200000000, 0.0026184800000000 ] - [ -0.0019410600000000, -0.0026967800000000, -0.0001345400000000 ] - [ 0.0705933000000000, 0.0058772500000000, 0.0294739900000000 ] - [ -0.0081488800000000, 0.0001267800000000, -0.0021904700000000 ] - [ -0.0023442200000000, 0.0018659900000000, -0.0014926800000000 ] - [ -0.0005718600000000, -0.0010973700000000, -0.0002821200000000 ] - [ 0.0066747800000000, -0.0047718900000000, 0.0123355100000000 ] - [ -0.0017152200000000, -0.0005206300000000, -0.0005381000000000 ] - [ -0.0008728600000000, 0.0039593300000000, -0.0024690000000000 ] - [ -0.0000358500000000, -0.0031494600000000, 0.0018341600000000 ] - [ 0.0082959100000000, 0.0039801800000000, 0.0109453600000000 ] - [ -0.0044380500000000, -0.0006047700000000, -0.0029058000000000 ] - [ 0.0006640300000000, 0.0026933400000000, 0.0013555100000000 ] - [ 0.0005187400000000, -0.0002026300000000, 0.0002649600000000 ] - [ 0.0299072600000000, 0.0267192300000000, -0.0155984900000000 ] - [ -0.0044635300000000, -0.0007661600000000, 0.0023321200000000 ] - [ 0.0004200700000000, 0.0037260000000000, -0.0007915500000000 ] - [ 0.0002919500000000, -0.0018734200000000, -0.0007279000000000 ] - [ 0.0349714900000000, -0.0233023300000000, -0.0167473800000000 ] - [ -0.0029849400000000, -0.0000786600000000, 0.0001634700000000 ] - [ -0.0009266800000000, 0.0041873300000000, 0.0020199900000000 ] - [ 0.0001425000000000, -0.0035351900000000, -0.0017425500000000 ] - [ 0.0766483100000000, -0.0060999500000000, 0.0334522800000000 ] - [ -0.0064270500000000, -0.0001173500000000, -0.0016054300000000 ] - [ 0.0011507400000000, 0.0011239000000000, 0.0003300800000000 ] - [ -0.0006236800000000, -0.0018423300000000, -0.0008855200000000 ] - [ 0.0291755800000000, -0.0247348700000000, -0.0147281200000000 ] - [ -0.0053314900000000, 0.0022447100000000, 0.0029221600000000 ] - [ -0.0005840400000000, 0.0033582500000000, -0.0001251200000000 ] - [ -0.0004564900000000, -0.0022396700000000, -0.0001909800000000 ] - [ 0.0339624800000000, 0.0212908600000000, -0.0158089100000000 ] - [ -0.0038327000000000, -0.0014214600000000, 0.0007713000000000 ] - [ -0.0007022700000000, 0.0020305000000000, -0.0011306900000000 ] - [ -0.0017603500000000, -0.0056914400000000, 0.0026358800000000 ] - [ 0.0074031300000000, -0.0024959300000000, 0.0103674800000000 ] - [ -0.0053067500000000, 0.0020874100000000, -0.0034997200000000 ] - [ -0.0003552900000000, 0.0016786300000000, -0.0003386700000000 ] - [ -0.0002142900000000, -0.0012135800000000, 0.0007518700000000 ] - [ 0.0058081700000000, 0.0032499200000000, 0.0117344500000000 ] - [ -0.0025578100000000, -0.0009801400000000, -0.0011523000000000 ] - [ -0.0008796800000000, 0.0016414900000000, 0.0012201400000000 ] - [ -0.0017107300000000, -0.0054651000000000, -0.0030856200000000 ] - [ 0.0124588200000000, -0.0017652100000000, -0.0223916300000000 ] - [ -0.0063557800000000, 0.0007000700000000, 0.0031075800000000 ] - [ -0.0026184400000000, 0.0019638600000000, 0.0019780200000000 ] - [ -0.0003233300000000, -0.0009421400000000, 0.0000973800000000 ] - [ 0.0141858300000000, 0.0017811800000000, -0.0229749400000000 ] - [ -0.0046469000000000, -0.0006866800000000, 0.0025136600000000 ] - [ 0.0014017800000000, 0.0009668500000000, -0.0005153900000000 ] - [ -0.0008976500000000, -0.0019392800000000, 0.0013701900000000 ]- atom: 9 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0009554100000000, -0.0016533600000000, -0.0055572700000000 ] - [ -0.0009541500000000, 0.0016540900000000, -0.0055572700000000 ] - [ 0.0019095600000000, -0.0000007300000000, -0.0055572700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012077000000000 ] - [ -0.0000717200000000, -0.0001327000000000, 0.0026616600000000 ] - [ -0.0000790600000000, 0.0001284600000000, 0.0026616600000000 ] - [ 0.0001507800000000, 0.0000042400000000, 0.0026616600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012102600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.3453103700000000 ] - [ -0.0007945900000000, -0.0000016800000000, -0.0080620900000000 ] - [ 0.0003987500000000, -0.0006873000000000, -0.0080620900000000 ] - [ 0.0003958400000000, 0.0006889700000000, -0.0080620900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0543233500000000 ] - [ -0.0016244900000000, -0.0000016200000000, 0.0086256900000000 ] - [ 0.0008136500000000, -0.0014060400000000, 0.0086256900000000 ] - [ 0.0008108400000000, 0.0014076600000000, 0.0086256900000000 ] - [ 0.0262092100000000, -0.0155222300000000, 0.0414532900000000 ] - [ -0.0106898800000000, 0.0012137500000000, -0.0006644300000000 ] - [ -0.0012005100000000, 0.0085848400000000, -0.0001050300000000 ] - [ -0.0001115100000000, 0.0000241500000000, 0.0000291500000000 ] - [ 0.0003380400000000, 0.0304589600000000, 0.0414532900000000 ] - [ 0.0000348400000000, -0.0001086500000000, 0.0000291500000000 ] - [ 0.0042938000000000, -0.0098645800000000, -0.0006644300000000 ] - [ -0.0068344300000000, -0.0053320900000000, -0.0001050300000000 ] - [ -0.0265472600000000, -0.0149367300000000, 0.0414532900000000 ] - [ 0.0080349400000000, -0.0032527500000000, -0.0001050300000000 ] - [ 0.0000766700000000, 0.0000845000000000, 0.0000291500000000 ] - [ 0.0063960800000000, 0.0086508300000000, -0.0006644300000000 ] - [ 0.0264242500000000, 0.0162464600000000, 0.0415491900000000 ] - [ -0.0106989600000000, -0.0006118400000000, -0.0006723500000000 ] - [ -0.0000891500000000, 0.0005874300000000, 0.0000259800000000 ] - [ -0.0011828800000000, -0.0080214700000000, -0.0001119600000000 ] - [ -0.0272819700000000, 0.0147608400000000, 0.0415491900000000 ] - [ 0.0075382300000000, 0.0029863300000000, -0.0001119600000000 ] - [ 0.0058793400000000, -0.0089596500000000, -0.0006723500000000 ] - [ -0.0004641500000000, -0.0003709200000000, 0.0000259800000000 ] - [ 0.0008577200000000, -0.0310073000000000, 0.0415491900000000 ] - [ 0.0005533000000000, -0.0002165100000000, 0.0000259800000000 ] - [ -0.0063553500000000, 0.0050351300000000, -0.0001119600000000 ] - [ 0.0048196100000000, 0.0095714900000000, -0.0006723500000000 ] - [ 0.0029928100000000, -0.0101881600000000, -0.0038353500000000 ] - [ -0.0002778000000000, 0.0005091600000000, -0.0000044900000000 ] - [ -0.0054635500000000, 0.0126609800000000, -0.0044264700000000 ] - [ 0.0024465500000000, 0.0017014300000000, 0.0000816300000000 ] - [ -0.0003020400000000, -0.0004951600000000, -0.0000044900000000 ] - [ -0.0082329600000000, -0.0110620600000000, -0.0044264700000000 ] - [ 0.0073268000000000, 0.0076859300000000, -0.0038353500000000 ] - [ -0.0026967600000000, 0.0012680500000000, 0.0000816300000000 ] - [ 0.0136965100000000, -0.0015989200000000, -0.0044264700000000 ] - [ -0.0103196100000000, 0.0025022300000000, -0.0038353500000000 ] - [ 0.0005798400000000, -0.0000139900000000, -0.0000044900000000 ] - [ 0.0002502100000000, -0.0029694900000000, 0.0000816300000000 ] - [ -0.0000165200000000, 0.0007712900000000, -0.0000036000000000 ] - [ 0.0032454200000000, 0.0114756700000000, -0.0038204200000000 ] - [ -0.0052282900000000, -0.0113818000000000, -0.0044143200000000 ] - [ 0.0027061400000000, -0.0004117800000000, 0.0000827100000000 ] - [ -0.0115609400000000, -0.0029272200000000, -0.0038204200000000 ] - [ 0.0124710700000000, 0.0011630600000000, -0.0044143200000000 ] - [ -0.0006596900000000, -0.0003999500000000, -0.0000036000000000 ] - [ -0.0009964600000000, 0.0025494800000000, 0.0000827100000000 ] - [ -0.0072427800000000, 0.0102187300000000, -0.0044143200000000 ] - [ 0.0006762200000000, -0.0003713300000000, -0.0000036000000000 ] - [ 0.0083155100000000, -0.0085484600000000, -0.0038204200000000 ] - [ -0.0017096800000000, -0.0021377000000000, 0.0000827100000000 ] - [ 0.0338688200000000, 0.0057715600000000, 0.0372158700000000 ] - [ 0.0023977500000000, -0.0007485500000000, 0.0029399900000000 ] - [ 0.0012405300000000, -0.0012488000000000, 0.0023989500000000 ] - [ -0.0002558800000000, 0.0003763300000000, 0.0009297300000000 ] - [ -0.0025695700000000, 0.0059683100000000, -0.0199416200000000 ] - [ -0.0000999800000000, -0.0004018300000000, -0.0009797600000000 ] - [ -0.0008450000000000, 0.0033336100000000, -0.0032024600000000 ] - [ 0.0006263200000000, 0.0019185000000000, -0.0027389700000000 ] - [ -0.0038839300000000, -0.0052094700000000, -0.0199416200000000 ] - [ -0.0019746300000000, -0.0004168400000000, -0.0027389700000000 ] - [ 0.0003979800000000, 0.0001143300000000, -0.0009797600000000 ] - [ -0.0024644900000000, -0.0023986000000000, -0.0032024600000000 ] - [ -0.0119361000000000, -0.0322170400000000, 0.0372158700000000 ] - [ -0.0017017600000000, -0.0004499300000000, 0.0023989500000000 ] - [ 0.0004538500000000, 0.0000334300000000, 0.0009297300000000 ] - [ -0.0018471400000000, -0.0017022400000000, 0.0029399900000000 ] - [ -0.0219327300000000, 0.0264454800000000, 0.0372158700000000 ] - [ -0.0001979700000000, -0.0004097600000000, 0.0009297300000000 ] - [ -0.0005506100000000, 0.0024507900000000, 0.0029399900000000 ] - [ 0.0004612200000000, 0.0016987300000000, 0.0023989500000000 ] - [ 0.0376433400000000, -0.0059096300000000, 0.0387345400000000 ] - [ 0.0041215700000000, 0.0007653200000000, 0.0035451600000000 ] - [ 0.0014635500000000, -0.0003556800000000, 0.0015420200000000 ] - [ 0.0029652600000000, 0.0012722900000000, 0.0030130900000000 ] - [ -0.0137037800000000, 0.0355549000000000, 0.0387345400000000 ] - [ -0.0025844700000000, 0.0019318400000000, 0.0030130900000000 ] - [ -0.0027235700000000, 0.0031867200000000, 0.0035451600000000 ] - [ -0.0004237500000000, 0.0014453200000000, 0.0015420200000000 ] - [ -0.0239395600000000, -0.0296452700000000, 0.0387345400000000 ] - [ -0.0010398100000000, -0.0010896300000000, 0.0015420200000000 ] - [ -0.0003807900000000, -0.0032041400000000, 0.0030130900000000 ] - [ -0.0013979900000000, -0.0039520500000000, 0.0035451600000000 ] - [ -0.0047446300000000, 0.0066862200000000, -0.0205505500000000 ] - [ -0.0028553900000000, 0.0018999500000000, -0.0033491800000000 ] - [ -0.0033397700000000, 0.0038845500000000, -0.0038028500000000 ] - [ -0.0004782700000000, 0.0013650100000000, -0.0015906200000000 ] - [ -0.0034181200000000, -0.0074520800000000, -0.0205505500000000 ] - [ -0.0009430000000000, -0.0010967000000000, -0.0015906200000000 ] - [ -0.0002177100000000, -0.0034228200000000, -0.0033491800000000 ] - [ -0.0016942300000000, -0.0048346100000000, -0.0038028500000000 ] - [ 0.0064535000000000, -0.0007588500000000, -0.0199416200000000 ] - [ 0.0033094900000000, -0.0009350100000000, -0.0032024600000000 ] - [ 0.0013483100000000, -0.0015016600000000, -0.0027389700000000 ] - [ -0.0002980100000000, 0.0002875000000000, -0.0009797600000000 ] - [ 0.0081627500000000, 0.0007658600000000, -0.0205505500000000 ] - [ 0.0050340100000000, 0.0009500500000000, -0.0038028500000000 ] - [ 0.0014212700000000, -0.0002683100000000, -0.0015906200000000 ] - [ 0.0030731000000000, 0.0015228700000000, -0.0033491800000000 ]- atom: 17 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0020260500000000, -0.0003617400000000, 0.0000794900000000 ] - [ -0.0035080300000000, 0.0022064500000000, -0.0026766300000000 ] - [ -0.0002829900000000, 0.0020115700000000, 0.0002787200000000 ] - [ 0.0008858900000000, -0.0017006900000000, -0.0006844600000000 ] - [ 0.0020260500000000, -0.0003617400000000, -0.0000794900000000 ] - [ -0.0035080300000000, 0.0022064500000000, 0.0026766300000000 ] - [ -0.0002829900000000, 0.0020115700000000, -0.0002787200000000 ] - [ 0.0008858900000000, -0.0017006900000000, 0.0006844600000000 ] - [ 0.0206197600000000, -0.0044735000000000, 0.0263772400000000 ] - [ 0.0108303600000000, 0.0071883000000000, -0.0106957600000000 ] - [ 0.0002083200000000, -0.0018913000000000, -0.0011983000000000 ] - [ -0.0009398800000000, 0.0008046000000000, -0.0001017900000000 ] - [ 0.0206197600000000, -0.0044735000000000, -0.0263772400000000 ] - [ 0.0108303600000000, 0.0071883000000000, 0.0106957600000000 ] - [ 0.0002083200000000, -0.0018913000000000, 0.0011983000000000 ] - [ -0.0009398800000000, 0.0008046000000000, 0.0001017900000000 ] - [ -0.3196013000000000, 0.0183072400000000, 0.0000000000000000 ] - [ 0.0088915400000000, -0.0011607500000000, 0.0000000000000000 ] - [ 0.0012246300000000, -0.0041327700000000, 0.0000000000000000 ] - [ -0.0006696100000000, 0.0038481000000000, 0.0000000000000000 ] - [ 0.0024637000000000, -0.0101728100000000, 0.0000000000000000 ] - [ 0.0038168500000000, 0.0070333800000000, 0.0000000000000000 ] - [ -0.0182227700000000, -0.0099671600000000, 0.0000000000000000 ] - [ 0.0044533500000000, -0.0003459500000000, 0.0000000000000000 ] - [ 0.0144364500000000, 0.0032933400000000, 0.0000000000000000 ] - [ 0.0532478700000000, -0.0315244400000000, 0.0000000000000000 ] - [ 0.0017090300000000, 0.0019252200000000, 0.0000000000000000 ] - [ -0.0021396400000000, -0.0035811100000000, 0.0000000000000000 ] - [ 0.0064120400000000, 0.0028481800000000, 0.0000000000000000 ] - [ -0.0059854200000000, -0.0014547100000000, 0.0000000000000000 ] - [ -0.0000674100000000, 0.0018895500000000, 0.0000000000000000 ] - [ -0.0000641700000000, -0.0022871100000000, 0.0000000000000000 ] - [ -0.0089423000000000, 0.0018068900000000, 0.0000000000000000 ] - [ 0.0056888300000000, -0.0010516100000000, 0.0000000000000000 ] - [ 0.0017669900000000, -0.0033141200000000, 0.0000000000000000 ] - [ -0.0016437500000000, 0.0018458200000000, 0.0000000000000000 ] - [ 0.0002034600000000, -0.0059717800000000, 0.0000000000000000 ] - [ 0.0001338500000000, 0.0031962900000000, 0.0000000000000000 ] - [ -0.0031482900000000, -0.0011263900000000, 0.0000000000000000 ] - [ 0.0032364400000000, 0.0014058700000000, 0.0000000000000000 ] - [ -0.0012538100000000, 0.0044113700000000, 0.0000000000000000 ] - [ 0.0002691400000000, -0.0029034000000000, 0.0000000000000000 ] - [ 0.0315271600000000, 0.0360700500000000, 0.0000000000000000 ] - [ -0.0030296100000000, 0.0020354300000000, 0.0000000000000000 ] - [ -0.0026149700000000, -0.0026604100000000, 0.0000000000000000 ] - [ 0.0018449100000000, 0.0037324700000000, 0.0000000000000000 ] - [ -0.0045795900000000, -0.0034242500000000, 0.0000000000000000 ] - [ 0.0055566900000000, 0.0162905900000000, 0.0000000000000000 ] - [ -0.0061788900000000, 0.0008829500000000, 0.0000000000000000 ] - [ 0.1645618900000000, 0.0318381200000000, 0.0000000000000000 ] - [ 0.0006501100000000, -0.0011971300000000, 0.0000000000000000 ] - [ 0.0000997200000000, 0.0013445500000000, 0.0000000000000000 ] - [ -0.0004405800000000, -0.0011389600000000, 0.0000000000000000 ] - [ 0.0010666000000000, 0.0036447100000000, 0.0000000000000000 ] - [ -0.0018066600000000, -0.0015409300000000, 0.0000000000000000 ] - [ 0.0018571500000000, 0.0021474600000000, 0.0000000000000000 ] - [ -0.0056994100000000, -0.0010775400000000, 0.0000000000000000 ] - [ 0.0050610500000000, 0.0004868700000000, 0.0000000000000000 ] - [ -0.0004105100000000, -0.0009293100000000, 0.0000000000000000 ] - [ -0.0008497900000000, 0.0008360100000000, 0.0000000000000000 ] - [ -0.0017354900000000, 0.0026971400000000, 0.0000000000000000 ] - [ 0.0015237000000000, -0.0021682700000000, 0.0000000000000000 ] - [ 0.0036429100000000, -0.0023417500000000, 0.0000000000000000 ] - [ -0.0018822500000000, 0.0006867600000000, 0.0000000000000000 ] - [ 0.0349174800000000, -0.0311837000000000, 0.0511059400000000 ] - [ -0.0059044900000000, -0.0001627400000000, -0.0019662500000000 ] - [ -0.0011041600000000, 0.0015946700000000, -0.0003113400000000 ] - [ -0.0002764500000000, -0.0008897000000000, 0.0002756800000000 ] - [ -0.0024681400000000, 0.0031950700000000, 0.0001003500000000 ] - [ -0.0029880700000000, -0.0030527600000000, -0.0013662800000000 ] - [ 0.0026532800000000, -0.0016974600000000, 0.0005188500000000 ] - [ -0.0003052400000000, -0.0007566100000000, 0.0005356500000000 ] - [ -0.0058464500000000, -0.0008046000000000, 0.0025970600000000 ] - [ -0.0126926800000000, -0.0015067800000000, -0.0099201300000000 ] - [ -0.0002041000000000, 0.0005082600000000, -0.0000770000000000 ] - [ 0.0014750700000000, 0.0012534200000000, 0.0007853400000000 ] - [ -0.0058464500000000, -0.0008046000000000, -0.0025970600000000 ] - [ -0.0126926800000000, -0.0015067800000000, 0.0099201300000000 ] - [ -0.0002041000000000, 0.0005082600000000, 0.0000770000000000 ] - [ 0.0014750700000000, 0.0012534200000000, -0.0007853400000000 ] - [ -0.0024681400000000, 0.0031950700000000, -0.0001003500000000 ] - [ -0.0029880700000000, -0.0030527600000000, 0.0013662800000000 ] - [ 0.0026532800000000, -0.0016974600000000, -0.0005188500000000 ] - [ -0.0003052400000000, -0.0007566100000000, -0.0005356500000000 ] - [ -0.0033792600000000, -0.0004575400000000, -0.0029804400000000 ] - [ 0.0022584700000000, -0.0000504500000000, 0.0031275100000000 ] - [ 0.0009775700000000, -0.0003050800000000, 0.0002940600000000 ] - [ 0.0010777100000000, 0.0005687600000000, 0.0007170000000000 ] - [ 0.0017570500000000, -0.0028548400000000, -0.0043528200000000 ] - [ -0.0033379200000000, 0.0025319500000000, 0.0031146400000000 ] - [ -0.0014200600000000, 0.0019836300000000, 0.0011012200000000 ] - [ 0.0003131800000000, -0.0001243200000000, -0.0000928300000000 ] - [ 0.0005504800000000, 0.0038140500000000, -0.0039391200000000 ] - [ -0.0023612600000000, -0.0034195200000000, 0.0026913600000000 ] - [ 0.0002595600000000, 0.0000740500000000, 0.0004894500000000 ] - [ -0.0009809700000000, -0.0015573100000000, 0.0005211600000000 ] - [ 0.0017570500000000, -0.0028548400000000, 0.0043528200000000 ] - [ -0.0033379200000000, 0.0025319500000000, -0.0031146400000000 ] - [ -0.0014200600000000, 0.0019836300000000, -0.0011012200000000 ] - [ 0.0003131800000000, -0.0001243200000000, 0.0000928300000000 ] - [ 0.0005504800000000, 0.0038140500000000, 0.0039391200000000 ] - [ -0.0023612600000000, -0.0034195200000000, -0.0026913600000000 ] - [ 0.0002595600000000, 0.0000740500000000, -0.0004894500000000 ] - [ -0.0009809700000000, -0.0015573100000000, -0.0005211600000000 ] - [ 0.0349174800000000, -0.0311837000000000, -0.0511059400000000 ] - [ -0.0059044900000000, -0.0001627400000000, 0.0019662500000000 ] - [ -0.0011041600000000, 0.0015946700000000, 0.0003113400000000 ] - [ -0.0002764500000000, -0.0008897000000000, -0.0002756800000000 ] - [ -0.0033792600000000, -0.0004575400000000, 0.0029804400000000 ] - [ 0.0022584700000000, -0.0000504500000000, -0.0031275100000000 ] - [ 0.0009775700000000, -0.0003050800000000, -0.0002940600000000 ] - [ 0.0010777100000000, 0.0005687600000000, -0.0007170000000000 ]- atom: 17 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0020247800000000, 0.0003602900000000, -0.0000774200000000 ] - [ 0.0035188900000000, -0.0022100800000000, 0.0026811400000000 ] - [ 0.0002741400000000, -0.0020074700000000, -0.0002769000000000 ] - [ -0.0008861000000000, 0.0017031600000000, 0.0006873200000000 ] - [ -0.0020247800000000, 0.0003602900000000, 0.0000774200000000 ] - [ 0.0035188900000000, -0.0022100800000000, -0.0026811400000000 ] - [ 0.0002741400000000, -0.0020074700000000, 0.0002769000000000 ] - [ -0.0008861000000000, 0.0017031600000000, -0.0006873200000000 ] - [ -0.0207767000000000, 0.0043654800000000, -0.0262594000000000 ] - [ -0.0108322900000000, -0.0071797100000000, 0.0107059000000000 ] - [ -0.0001865100000000, 0.0018803900000000, 0.0011952100000000 ] - [ 0.0009405600000000, -0.0007917400000000, 0.0000998300000000 ] - [ -0.0207767000000000, 0.0043654800000000, 0.0262594000000000 ] - [ -0.0108322900000000, -0.0071797100000000, -0.0107059000000000 ] - [ -0.0001865100000000, 0.0018803900000000, -0.0011952100000000 ] - [ 0.0009405600000000, -0.0007917400000000, -0.0000998300000000 ] - [ 0.3325169300000000, -0.0143467200000000, 0.0000000000000000 ] - [ -0.0088767000000000, 0.0017621200000000, 0.0000000000000000 ] - [ -0.0012208600000000, 0.0047378300000000, 0.0000000000000000 ] - [ 0.0006676400000000, -0.0032472800000000, 0.0000000000000000 ] - [ -0.0029694900000000, 0.0098159000000000, 0.0000000000000000 ] - [ -0.0043202600000000, -0.0073471200000000, 0.0000000000000000 ] - [ 0.0178726500000000, 0.0096255000000000, 0.0000000000000000 ] - [ -0.0049398200000000, 0.0000449100000000, 0.0000000000000000 ] - [ -0.0137898100000000, -0.0035402700000000, 0.0000000000000000 ] - [ -0.0532018000000000, 0.0311770700000000, 0.0000000000000000 ] - [ -0.0011860100000000, -0.0022054900000000, 0.0000000000000000 ] - [ 0.0026872000000000, 0.0033115800000000, 0.0000000000000000 ] - [ -0.0063880500000000, -0.0022526700000000, 0.0000000000000000 ] - [ 0.0060248700000000, 0.0020593000000000, 0.0000000000000000 ] - [ 0.0000881600000000, -0.0012947000000000, 0.0000000000000000 ] - [ 0.0000912100000000, 0.0028891600000000, 0.0000000000000000 ] - [ 0.0084294300000000, -0.0021113000000000, 0.0000000000000000 ] - [ -0.0062062800000000, 0.0007500300000000, 0.0000000000000000 ] - [ -0.0022897900000000, 0.0030157700000000, 0.0000000000000000 ] - [ 0.0011189000000000, -0.0021489100000000, 0.0000000000000000 ] - [ 0.0003119600000000, 0.0056492200000000, 0.0000000000000000 ] - [ 0.0003756800000000, -0.0035289800000000, 0.0000000000000000 ] - [ 0.0036671100000000, 0.0007949600000000, 0.0000000000000000 ] - [ -0.0027251900000000, -0.0017342900000000, 0.0000000000000000 ] - [ 0.0010166000000000, -0.0031473900000000, 0.0000000000000000 ] - [ -0.0005121700000000, 0.0041766400000000, 0.0000000000000000 ] - [ -0.0322695600000000, -0.0353102300000000, 0.0000000000000000 ] - [ 0.0027709500000000, -0.0007409100000000, 0.0000000000000000 ] - [ 0.0016140600000000, 0.0017739200000000, 0.0000000000000000 ] - [ -0.0028362900000000, -0.0046231900000000, 0.0000000000000000 ] - [ 0.0035825300000000, 0.0025367300000000, 0.0000000000000000 ] - [ -0.0065663400000000, -0.0172114400000000, 0.0000000000000000 ] - [ 0.0073749200000000, -0.0013099300000000, 0.0000000000000000 ] - [ -0.1746243500000000, -0.0341980800000000, 0.0000000000000000 ] - [ 0.0005688100000000, 0.0007811300000000, 0.0000000000000000 ] - [ 0.0011255500000000, -0.0017777700000000, 0.0000000000000000 ] - [ 0.0007183000000000, 0.0024509400000000, 0.0000000000000000 ] - [ -0.0007974500000000, -0.0023428300000000, 0.0000000000000000 ] - [ 0.0020820200000000, 0.0028575100000000, 0.0000000000000000 ] - [ -0.0015857800000000, -0.0008350300000000, 0.0000000000000000 ] - [ 0.0044729700000000, 0.0006548300000000, 0.0000000000000000 ] - [ -0.0062922000000000, -0.0009049000000000, 0.0000000000000000 ] - [ -0.0008144600000000, 0.0005132100000000, 0.0000000000000000 ] - [ -0.0003768100000000, -0.0012572300000000, 0.0000000000000000 ] - [ 0.0027209900000000, -0.0035440600000000, 0.0000000000000000 ] - [ -0.0005499500000000, 0.0013292100000000, 0.0000000000000000 ] - [ -0.0026750600000000, 0.0015076700000000, 0.0000000000000000 ] - [ 0.0028526900000000, -0.0015234900000000, 0.0000000000000000 ] - [ -0.0370551800000000, 0.0308170800000000, -0.0509600500000000 ] - [ 0.0041868400000000, 0.0001765500000000, 0.0013618200000000 ] - [ -0.0006254700000000, -0.0015842200000000, -0.0003014800000000 ] - [ -0.0014377700000000, 0.0009049100000000, -0.0008828400000000 ] - [ 0.0033339200000000, -0.0046863900000000, 0.0005236300000000 ] - [ 0.0038490600000000, 0.0015544500000000, 0.0019736700000000 ] - [ -0.0018309200000000, 0.0002368100000000, 0.0000709600000000 ] - [ 0.0011483400000000, -0.0007568200000000, 0.0000945200000000 ] - [ 0.0067030400000000, 0.0023411900000000, -0.0018920800000000 ] - [ 0.0135516200000000, 0.0030138600000000, 0.0104904000000000 ] - [ 0.0010856100000000, 0.0009783300000000, 0.0006975300000000 ] - [ -0.0006050500000000, 0.0002266300000000, -0.0001785600000000 ] - [ 0.0067030400000000, 0.0023411900000000, 0.0018920800000000 ] - [ 0.0135516200000000, 0.0030138600000000, -0.0104904000000000 ] - [ 0.0010856100000000, 0.0009783300000000, -0.0006975300000000 ] - [ -0.0006050500000000, 0.0002266300000000, 0.0001785600000000 ] - [ 0.0033339200000000, -0.0046863900000000, -0.0005236300000000 ] - [ 0.0038490600000000, 0.0015544500000000, -0.0019736700000000 ] - [ -0.0018309200000000, 0.0002368100000000, -0.0000709600000000 ] - [ 0.0011483400000000, -0.0007568200000000, -0.0000945200000000 ] - [ 0.0051069000000000, 0.0004792300000000, 0.0035866400000000 ] - [ -0.0005406300000000, 0.0000685100000000, -0.0025245500000000 ] - [ 0.0007386400000000, 0.0003274200000000, 0.0003172200000000 ] - [ 0.0006402000000000, -0.0005532500000000, -0.0001092500000000 ] - [ -0.0026197500000000, 0.0043464500000000, 0.0049709500000000 ] - [ 0.0024674000000000, -0.0010508000000000, -0.0025104000000000 ] - [ 0.0005465300000000, -0.0004987300000000, -0.0004931200000000 ] - [ -0.0011853500000000, 0.0016064100000000, 0.0006990100000000 ] - [ -0.0013882700000000, -0.0053173900000000, 0.0045595500000000 ] - [ 0.0015124100000000, 0.0019136200000000, -0.0020712500000000 ] - [ -0.0011105900000000, -0.0015793200000000, 0.0001297800000000 ] - [ 0.0001324400000000, 0.0000497100000000, 0.0000979300000000 ] - [ -0.0026197500000000, 0.0043464500000000, -0.0049709500000000 ] - [ 0.0024674000000000, -0.0010508000000000, 0.0025104000000000 ] - [ 0.0005465300000000, -0.0004987300000000, 0.0004931200000000 ] - [ -0.0011853500000000, 0.0016064100000000, -0.0006990100000000 ] - [ -0.0013882700000000, -0.0053173900000000, -0.0045595500000000 ] - [ 0.0015124100000000, 0.0019136200000000, 0.0020712500000000 ] - [ -0.0011105900000000, -0.0015793200000000, -0.0001297800000000 ] - [ 0.0001324400000000, 0.0000497100000000, -0.0000979300000000 ] - [ -0.0370551800000000, 0.0308170800000000, 0.0509600500000000 ] - [ 0.0041868400000000, 0.0001765500000000, -0.0013618200000000 ] - [ -0.0006254700000000, -0.0015842200000000, 0.0003014800000000 ] - [ -0.0014377700000000, 0.0009049100000000, 0.0008828400000000 ] - [ 0.0051069000000000, 0.0004792300000000, -0.0035866400000000 ] - [ -0.0005406300000000, 0.0000685100000000, 0.0025245500000000 ] - [ 0.0007386400000000, 0.0003274200000000, -0.0003172200000000 ] - [ 0.0006402000000000, -0.0005532500000000, 0.0001092500000000 ]- atom: 17 displacement: [ -0.0050000000003079, 0.0086602540376666, 0.0000000000000000 ] forces: - [ -0.0018768700000000, 0.0011025000000000, -0.0000758900000000 ] - [ 0.0039944100000000, 0.0010196900000000, -0.0012405800000000 ] - [ 0.0028004100000000, -0.0005594400000000, 0.0022994300000000 ] - [ -0.0015533500000000, 0.0008702500000000, 0.0008018100000000 ] - [ -0.0018768700000000, 0.0011025000000000, 0.0000758900000000 ] - [ 0.0039944100000000, 0.0010196900000000, 0.0012405800000000 ] - [ 0.0028004100000000, -0.0005594400000000, -0.0022994300000000 ] - [ -0.0015533500000000, 0.0008702500000000, -0.0008018100000000 ] - [ -0.0298522400000000, -0.0071202900000000, -0.0268675700000000 ] - [ -0.0055499000000000, -0.0045503100000000, 0.0061391200000000 ] - [ -0.0060891900000000, 0.0107634300000000, 0.0078046000000000 ] - [ 0.0021418900000000, 0.0015336700000000, -0.0001826300000000 ] - [ -0.0298522400000000, -0.0071202900000000, 0.0268675700000000 ] - [ -0.0055499000000000, -0.0045503100000000, -0.0061391200000000 ] - [ -0.0060891900000000, 0.0107634300000000, -0.0078046000000000 ] - [ 0.0021418900000000, 0.0015336700000000, 0.0001826300000000 ] - [ 0.1755718300000000, -0.3127412000000000, 0.0000000000000000 ] - [ -0.0057089800000000, 0.0007447300000000, 0.0000000000000000 ] - [ -0.0044438300000000, 0.0077588000000000, 0.0000000000000000 ] - [ 0.0034106800000000, -0.0001918000000000, 0.0000000000000000 ] - [ -0.0086085200000000, 0.0112518900000000, 0.0000000000000000 ] - [ -0.0003852100000000, -0.0030205200000000, 0.0000000000000000 ] - [ -0.0150653200000000, 0.0529379100000000, 0.0000000000000000 ] - [ -0.0025749300000000, 0.0001790000000000, 0.0000000000000000 ] - [ -0.0054396300000000, -0.0052665200000000, 0.0000000000000000 ] - [ -0.0381897600000000, 0.0016870500000000, 0.0000000000000000 ] - [ 0.0011402100000000, 0.0018838000000000, 0.0000000000000000 ] - [ 0.0027996700000000, 0.0078958000000000, 0.0000000000000000 ] - [ -0.0053941800000000, -0.0033593900000000, 0.0000000000000000 ] - [ 0.0045335900000000, -0.0010074000000000, 0.0000000000000000 ] - [ 0.0022877600000000, 0.0012693000000000, 0.0000000000000000 ] - [ -0.0013313900000000, 0.0033667400000000, 0.0000000000000000 ] - [ 0.0085716100000000, -0.0050823800000000, 0.0000000000000000 ] - [ -0.0048609100000000, -0.0004671600000000, 0.0000000000000000 ] - [ -0.0048596100000000, 0.0040684700000000, 0.0000000000000000 ] - [ 0.0022398600000000, -0.0003025000000000, 0.0000000000000000 ] - [ -0.0011528800000000, 0.0064355100000000, 0.0000000000000000 ] - [ 0.0013189000000000, -0.0006208200000000, 0.0000000000000000 ] - [ 0.0025553700000000, -0.0025047600000000, 0.0000000000000000 ] - [ -0.0017777300000000, -0.0024282100000000, 0.0000000000000000 ] - [ 0.0025878700000000, -0.0052337500000000, 0.0000000000000000 ] - [ -0.0014307200000000, 0.0013879000000000, 0.0000000000000000 ] - [ 0.0173835100000000, 0.1336804900000000, 0.0000000000000000 ] - [ 0.0016505500000000, 0.0002207500000000, 0.0000000000000000 ] - [ -0.0005630000000000, -0.0007378500000000, 0.0000000000000000 ] - [ -0.0004371600000000, -0.0076916900000000, 0.0000000000000000 ] - [ 0.0012789100000000, 0.0018471100000000, 0.0000000000000000 ] - [ 0.0109664600000000, -0.0052689900000000, 0.0000000000000000 ] - [ 0.0048203300000000, -0.0002871600000000, 0.0000000000000000 ] - [ -0.0591532200000000, 0.0083204000000000, 0.0000000000000000 ] - [ -0.0012551400000000, -0.0009388300000000, 0.0000000000000000 ] - [ 0.0030970000000000, -0.0033134300000000, 0.0000000000000000 ] - [ -0.0002601200000000, -0.0000051900000000, 0.0000000000000000 ] - [ -0.0002427100000000, -0.0028505800000000, 0.0000000000000000 ] - [ 0.0017496400000000, 0.0037246100000000, 0.0000000000000000 ] - [ -0.0006134000000000, 0.0018307700000000, 0.0000000000000000 ] - [ 0.0042179200000000, 0.0009034200000000, 0.0000000000000000 ] - [ -0.0050203900000000, 0.0004128500000000, 0.0000000000000000 ] - [ -0.0024113500000000, -0.0004910400000000, 0.0000000000000000 ] - [ 0.0011010500000000, -0.0012739100000000, 0.0000000000000000 ] - [ 0.0039944600000000, -0.0047601400000000, 0.0000000000000000 ] - [ -0.0007588900000000, 0.0002083400000000, 0.0000000000000000 ] - [ -0.0029008100000000, 0.0031874200000000, 0.0000000000000000 ] - [ 0.0021126200000000, -0.0006577100000000, 0.0000000000000000 ] - [ -0.0367821500000000, 0.0655124000000000, -0.0810745200000000 ] - [ 0.0021156000000000, 0.0001397500000000, 0.0005731200000000 ] - [ 0.0018254800000000, -0.0027152600000000, 0.0006280700000000 ] - [ -0.0026986900000000, 0.0000942700000000, -0.0011650400000000 ] - [ 0.0053224200000000, -0.0046877900000000, 0.0002725700000000 ] - [ 0.0014712500000000, 0.0006724500000000, 0.0013787100000000 ] - [ 0.0041385900000000, -0.0145516900000000, 0.0095331300000000 ] - [ 0.0008500600000000, -0.0011389700000000, 0.0003195400000000 ] - [ 0.0049363300000000, 0.0084225200000000, 0.0028903300000000 ] - [ 0.0071808900000000, 0.0048085300000000, 0.0058477700000000 ] - [ 0.0004285500000000, -0.0017757400000000, -0.0000053400000000 ] - [ -0.0011708000000000, -0.0016608400000000, -0.0009512900000000 ] - [ 0.0049363300000000, 0.0084225200000000, -0.0028903300000000 ] - [ 0.0071808900000000, 0.0048085300000000, -0.0058477700000000 ] - [ 0.0004285500000000, -0.0017757400000000, 0.0000053400000000 ] - [ -0.0011708000000000, -0.0016608400000000, 0.0009512900000000 ] - [ 0.0053224200000000, -0.0046877900000000, -0.0002725700000000 ] - [ 0.0014712500000000, 0.0006724500000000, -0.0013787100000000 ] - [ 0.0041385900000000, -0.0145516900000000, -0.0095331300000000 ] - [ 0.0008500600000000, -0.0011389700000000, -0.0003195400000000 ] - [ 0.0074126100000000, 0.0015907400000000, 0.0050858400000000 ] - [ -0.0006077900000000, 0.0005890000000000, -0.0012187300000000 ] - [ -0.0003655800000000, -0.0007215700000000, -0.0011822300000000 ] - [ 0.0009461000000000, -0.0006817700000000, 0.0000864900000000 ] - [ -0.0030647900000000, 0.0079863900000000, 0.0064600600000000 ] - [ 0.0014813800000000, -0.0000666100000000, -0.0014318000000000 ] - [ 0.0021967100000000, -0.0029074100000000, -0.0023340400000000 ] - [ -0.0013644200000000, 0.0006972100000000, 0.0007544200000000 ] - [ -0.0006307600000000, -0.0046919500000000, 0.0043259800000000 ] - [ 0.0005415200000000, 0.0003417400000000, -0.0008601900000000 ] - [ 0.0000868400000000, -0.0003995700000000, -0.0015885800000000 ] - [ -0.0005395400000000, -0.0002654000000000, 0.0000378000000000 ] - [ -0.0030647900000000, 0.0079863900000000, -0.0064600600000000 ] - [ 0.0014813800000000, -0.0000666100000000, 0.0014318000000000 ] - [ 0.0021967100000000, -0.0029074100000000, 0.0023340400000000 ] - [ -0.0013644200000000, 0.0006972100000000, -0.0007544200000000 ] - [ -0.0006307600000000, -0.0046919500000000, -0.0043259800000000 ] - [ 0.0005415200000000, 0.0003417400000000, 0.0008601900000000 ] - [ 0.0000868400000000, -0.0003995700000000, 0.0015885800000000 ] - [ -0.0005395400000000, -0.0002654000000000, -0.0000378000000000 ] - [ -0.0367821500000000, 0.0655124000000000, 0.0810745200000000 ] - [ 0.0021156000000000, 0.0001397500000000, -0.0005731200000000 ] - [ 0.0018254800000000, -0.0027152600000000, -0.0006280700000000 ] - [ -0.0026986900000000, 0.0000942700000000, 0.0011650400000000 ] - [ 0.0074126100000000, 0.0015907400000000, -0.0050858400000000 ] - [ -0.0006077900000000, 0.0005890000000000, 0.0012187300000000 ] - [ -0.0003655800000000, -0.0007215700000000, 0.0011822300000000 ] - [ 0.0009461000000000, -0.0006817700000000, -0.0000864900000000 ]- atom: 17 displacement: [ 0.0050000000003079, -0.0086602540376666, 0.0000000000000000 ] forces: - [ 0.0018785700000000, -0.0010990800000000, 0.0000790000000000 ] - [ -0.0040095800000000, -0.0010077200000000, 0.0012507100000000 ] - [ -0.0028030600000000, 0.0005561100000000, -0.0023044800000000 ] - [ 0.0015486100000000, -0.0008726300000000, -0.0007968200000000 ] - [ 0.0018785700000000, -0.0010990800000000, -0.0000790000000000 ] - [ -0.0040095800000000, -0.0010077200000000, -0.0012507100000000 ] - [ -0.0028030600000000, 0.0005561100000000, 0.0023044800000000 ] - [ 0.0015486100000000, -0.0008726300000000, 0.0007968200000000 ] - [ 0.0298251200000000, 0.0071959200000000, 0.0269559800000000 ] - [ 0.0055777300000000, 0.0045504300000000, -0.0061443400000000 ] - [ 0.0061004700000000, -0.0107617300000000, -0.0077931100000000 ] - [ -0.0021616000000000, -0.0015497900000000, 0.0002029200000000 ] - [ 0.0298251200000000, 0.0071959200000000, -0.0269559800000000 ] - [ 0.0055777300000000, 0.0045504300000000, 0.0061443400000000 ] - [ 0.0061004700000000, -0.0107617300000000, 0.0077931100000000 ] - [ -0.0021616000000000, -0.0015497900000000, -0.0002029200000000 ] - [ -0.1786524500000000, 0.3089796000000000, 0.0000000000000000 ] - [ 0.0057101600000000, -0.0001402200000000, 0.0000000000000000 ] - [ 0.0044585200000000, -0.0071659400000000, 0.0000000000000000 ] - [ -0.0034156900000000, 0.0007971400000000, 0.0000000000000000 ] - [ 0.0082211200000000, -0.0116148900000000, 0.0000000000000000 ] - [ -0.0001141200000000, 0.0027195700000000, 0.0000000000000000 ] - [ 0.0147083000000000, -0.0527998800000000, 0.0000000000000000 ] - [ 0.0020598300000000, -0.0005089500000000, 0.0000000000000000 ] - [ 0.0059610400000000, 0.0050089700000000, 0.0000000000000000 ] - [ 0.0384993700000000, -0.0021421700000000, 0.0000000000000000 ] - [ -0.0005884900000000, -0.0021561200000000, 0.0000000000000000 ] - [ -0.0023020800000000, -0.0082351700000000, 0.0000000000000000 ] - [ 0.0054179800000000, 0.0039521700000000, 0.0000000000000000 ] - [ -0.0045122400000000, 0.0015996100000000, 0.0000000000000000 ] - [ -0.0022684100000000, -0.0006732400000000, 0.0000000000000000 ] - [ 0.0013557700000000, -0.0027651500000000, 0.0000000000000000 ] - [ -0.0090998000000000, 0.0047719100000000, 0.0000000000000000 ] - [ 0.0043319900000000, 0.0001575900000000, 0.0000000000000000 ] - [ 0.0043257200000000, -0.0043657300000000, 0.0000000000000000 ] - [ -0.0027565600000000, 0.0000090500000000, 0.0000000000000000 ] - [ 0.0016679600000000, -0.0067534900000000, 0.0000000000000000 ] - [ -0.0008140800000000, 0.0003057800000000, 0.0000000000000000 ] - [ -0.0020443900000000, 0.0021648600000000, 0.0000000000000000 ] - [ 0.0022863200000000, 0.0020856900000000, 0.0000000000000000 ] - [ -0.0028533000000000, 0.0065102700000000, 0.0000000000000000 ] - [ 0.0011816300000000, -0.0001272500000000, 0.0000000000000000 ] - [ -0.0155963100000000, -0.1263748300000000, 0.0000000000000000 ] - [ -0.0018975000000000, 0.0010294000000000, 0.0000000000000000 ] - [ -0.0004367500000000, -0.0001460900000000, 0.0000000000000000 ] - [ -0.0005821800000000, 0.0068828000000000, 0.0000000000000000 ] - [ -0.0022696800000000, -0.0027307100000000, 0.0000000000000000 ] - [ -0.0119246200000000, 0.0043848200000000, 0.0000000000000000 ] - [ -0.0035799600000000, -0.0001374600000000, 0.0000000000000000 ] - [ 0.0598668000000000, -0.0093831500000000, 0.0000000000000000 ] - [ 0.0024804500000000, 0.0005108600000000, 0.0000000000000000 ] - [ -0.0018842000000000, 0.0029147100000000, 0.0000000000000000 ] - [ 0.0005240700000000, 0.0013252800000000, 0.0000000000000000 ] - [ 0.0005121500000000, 0.0041407100000000, 0.0000000000000000 ] - [ -0.0014762300000000, -0.0023932400000000, 0.0000000000000000 ] - [ 0.0008767900000000, -0.0005218200000000, 0.0000000000000000 ] - [ -0.0054061200000000, -0.0013195600000000, 0.0000000000000000 ] - [ 0.0038019000000000, -0.0008203900000000, 0.0000000000000000 ] - [ 0.0012043300000000, 0.0000724200000000, 0.0000000000000000 ] - [ -0.0023246500000000, 0.0008550500000000, 0.0000000000000000 ] - [ -0.0030052500000000, 0.0039014400000000, 0.0000000000000000 ] - [ 0.0017348400000000, -0.0010587900000000, 0.0000000000000000 ] - [ 0.0038857500000000, -0.0040335400000000, 0.0000000000000000 ] - [ -0.0011338200000000, -0.0001926500000000, 0.0000000000000000 ] - [ 0.0358639900000000, -0.0661987300000000, 0.0837490200000000 ] - [ -0.0038542700000000, -0.0001139800000000, -0.0012010000000000 ] - [ -0.0035502000000000, 0.0027326000000000, -0.0012465200000000 ] - [ 0.0009836600000000, -0.0000748400000000, 0.0005556200000000 ] - [ -0.0044899300000000, 0.0031535300000000, 0.0003843200000000 ] - [ -0.0006397900000000, -0.0021681100000000, -0.0007739400000000 ] - [ -0.0033222500000000, 0.0130687800000000, -0.0089455500000000 ] - [ -0.0000045300000000, -0.0003525500000000, 0.0002865900000000 ] - [ -0.0040576700000000, -0.0069500200000000, -0.0022684200000000 ] - [ -0.0063260200000000, -0.0033021400000000, -0.0052578900000000 ] - [ 0.0004380700000000, 0.0032557000000000, 0.0006124400000000 ] - [ 0.0020640800000000, 0.0031599400000000, 0.0015816800000000 ] - [ -0.0040576700000000, -0.0069500200000000, 0.0022684200000000 ] - [ -0.0063260200000000, -0.0033021400000000, 0.0052578900000000 ] - [ 0.0004380700000000, 0.0032557000000000, -0.0006124400000000 ] - [ 0.0020640800000000, 0.0031599400000000, -0.0015816800000000 ] - [ -0.0044899300000000, 0.0031535300000000, -0.0003843200000000 ] - [ -0.0006397900000000, -0.0021681100000000, 0.0007739400000000 ] - [ -0.0033222500000000, 0.0130687800000000, 0.0089455500000000 ] - [ -0.0000045300000000, -0.0003525500000000, -0.0002865900000000 ] - [ -0.0056795000000000, -0.0015808000000000, -0.0044737200000000 ] - [ 0.0023128700000000, -0.0005662500000000, 0.0018288100000000 ] - [ 0.0020737900000000, 0.0007325800000000, 0.0017780600000000 ] - [ 0.0007736700000000, 0.0007043400000000, 0.0005245300000000 ] - [ 0.0021839700000000, -0.0064997400000000, -0.0058491200000000 ] - [ -0.0023646000000000, 0.0015554600000000, 0.0020496300000000 ] - [ -0.0030765500000000, 0.0043933800000000, 0.0029441800000000 ] - [ 0.0004917700000000, 0.0007764100000000, -0.0001456100000000 ] - [ -0.0002144100000000, 0.0031720200000000, -0.0037020600000000 ] - [ -0.0013922200000000, -0.0018506200000000, 0.0014811900000000 ] - [ -0.0009385400000000, -0.0010959200000000, 0.0021928700000000 ] - [ -0.0002986300000000, -0.0012222000000000, 0.0005690500000000 ] - [ 0.0021839700000000, -0.0064997400000000, 0.0058491200000000 ] - [ -0.0023646000000000, 0.0015554600000000, -0.0020496300000000 ] - [ -0.0030765500000000, 0.0043933800000000, -0.0029441800000000 ] - [ 0.0004917700000000, 0.0007764100000000, 0.0001456100000000 ] - [ -0.0002144100000000, 0.0031720200000000, 0.0037020600000000 ] - [ -0.0013922200000000, -0.0018506200000000, -0.0014811900000000 ] - [ -0.0009385400000000, -0.0010959200000000, -0.0021928700000000 ] - [ -0.0002986300000000, -0.0012222000000000, -0.0005690500000000 ] - [ 0.0358639900000000, -0.0661987300000000, -0.0837490200000000 ] - [ -0.0038542700000000, -0.0001139800000000, 0.0012010000000000 ] - [ -0.0035502000000000, 0.0027326000000000, 0.0012465200000000 ] - [ 0.0009836600000000, -0.0000748400000000, -0.0005556200000000 ] - [ -0.0056795000000000, -0.0015808000000000, 0.0044737200000000 ] - [ 0.0023128700000000, -0.0005662500000000, -0.0018288100000000 ] - [ 0.0020737900000000, 0.0007325800000000, -0.0017780600000000 ] - [ 0.0007736700000000, 0.0007043400000000, -0.0005245300000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0008634600000000, -0.0004658000000000, 0.0000673800000000 ] - [ -0.0031348000000000, -0.0042686700000000, 0.0020546200000000 ] - [ 0.0003897700000000, 0.0017236800000000, 0.0001123200000000 ] - [ -0.0000714400000000, 0.0000392600000000, -0.0000085500000000 ] - [ -0.0008660400000000, 0.0004676600000000, 0.0000656600000000 ] - [ 0.0031222800000000, 0.0042373400000000, 0.0020460000000000 ] - [ -0.0003877700000000, -0.0017135900000000, 0.0001158200000000 ] - [ 0.0000695300000000, -0.0000391500000000, -0.0000048300000000 ] - [ 0.0555101400000000, -0.0023661800000000, 0.0415528100000000 ] - [ -0.0015668500000000, 0.0007160000000000, -0.0006850900000000 ] - [ -0.0001703900000000, 0.0002360100000000, -0.0001163900000000 ] - [ 0.0001965700000000, -0.0007330600000000, 0.0000297700000000 ] - [ -0.0553552200000000, 0.0022427000000000, 0.0414513100000000 ] - [ 0.0015472200000000, -0.0006932400000000, -0.0006532400000000 ] - [ 0.0001643400000000, -0.0002344100000000, -0.0001031900000000 ] - [ -0.0001860000000000, 0.0007345500000000, 0.0000248700000000 ] - [ -0.0041410900000000, 0.0054106700000000, -0.3569252000000000 ] - [ 0.0000018900000000, 0.0003035200000000, -0.0007426100000000 ] - [ 0.0000024100000000, 0.0002989300000000, -0.0002632800000000 ] - [ -0.0000039400000000, 0.0003007900000000, -0.0006020500000000 ] - [ -0.0002467000000000, -0.0001608000000000, -0.0162249300000000 ] - [ -0.0002477400000000, -0.0001555200000000, -0.0012303400000000 ] - [ -0.0002724100000000, -0.0001927700000000, -0.0025528300000000 ] - [ -0.0002528100000000, -0.0001621400000000, -0.0004193700000000 ] - [ 0.0002647300000000, -0.0001347900000000, -0.0162254200000000 ] - [ 0.0003053700000000, -0.0001256400000000, -0.0025529900000000 ] - [ 0.0002676200000000, -0.0001387900000000, -0.0004196900000000 ] - [ 0.0002580600000000, -0.0001403900000000, -0.0012299800000000 ] - [ 0.0000106800000000, 0.0002859600000000, 0.0117312800000000 ] - [ -0.0000086900000000, 0.0003002400000000, 0.0035142000000000 ] - [ 0.0000084200000000, 0.0002953800000000, 0.0004581100000000 ] - [ 0.0000122800000000, 0.0002989400000000, 0.0004580800000000 ] - [ -0.0002603300000000, -0.0001416900000000, 0.0179877300000000 ] - [ -0.0002657000000000, -0.0001516700000000, 0.0004583000000000 ] - [ -0.0002612500000000, -0.0001460900000000, 0.0004582400000000 ] - [ -0.0002618500000000, -0.0001488700000000, 0.0010113000000000 ] - [ 0.0002631300000000, -0.0001617100000000, 0.0120232300000000 ] - [ 0.0002464200000000, -0.0001577700000000, 0.0007036200000000 ] - [ 0.0002457900000000, -0.0001528200000000, 0.0011664800000000 ] - [ 0.0002524900000000, -0.0001661800000000, 0.0007035500000000 ] - [ -0.0001179200000000, 0.0006238800000000, 0.0014573500000000 ] - [ -0.0001202500000000, 0.0006376000000000, 0.0004076800000000 ] - [ -0.0001923000000000, 0.0000933300000000, 0.0159942200000000 ] - [ -0.0001285900000000, 0.0006361300000000, 0.0001447700000000 ] - [ -0.0005061600000000, -0.0004546500000000, 0.0002224300000000 ] - [ -0.0005170200000000, -0.0004443900000000, 0.0036066800000000 ] - [ -0.0004950100000000, -0.0004406800000000, 0.0018471900000000 ] - [ -0.0005125600000000, -0.0004235800000000, 0.0011903200000000 ] - [ 0.0006096000000000, -0.0002116200000000, 0.0021928600000000 ] - [ 0.0011202800000000, -0.0001652400000000, 0.0159721600000000 ] - [ 0.0005967200000000, -0.0002013900000000, 0.0001618500000000 ] - [ 0.0006051100000000, -0.0002099100000000, 0.0001133200000000 ] - [ 0.0001388500000000, 0.0006378400000000, -0.0001665800000000 ] - [ 0.0001351400000000, 0.0006628800000000, -0.0015922100000000 ] - [ 0.0001298900000000, 0.0006569700000000, -0.0018049600000000 ] - [ 0.0001326000000000, 0.0006454200000000, -0.0006319000000000 ] - [ -0.0006042500000000, -0.0002051700000000, -0.0015943800000000 ] - [ -0.0005970000000000, -0.0002055300000000, -0.0039366900000000 ] - [ -0.0006345900000000, -0.0002143200000000, -0.0002127200000000 ] - [ -0.0006076300000000, -0.0002118400000000, -0.0001169900000000 ] - [ 0.0004823800000000, -0.0004252900000000, -0.0018466200000000 ] - [ 0.0004845100000000, -0.0004119900000000, -0.0004095000000000 ] - [ 0.0005025900000000, -0.0004404300000000, -0.0022131000000000 ] - [ 0.0004909900000000, -0.0004228600000000, -0.0001435000000000 ] - [ 0.0346728200000000, -0.0744241500000000, 0.1399458800000000 ] - [ -0.0006199900000000, -0.0001808800000000, 0.0001183000000000 ] - [ -0.0007455800000000, -0.0000618400000000, -0.0001138000000000 ] - [ -0.0008381200000000, -0.0000891900000000, -0.0000351900000000 ] - [ 0.0096650000000000, -0.0094252100000000, 0.0064648500000000 ] - [ -0.0001337800000000, -0.0006555700000000, 0.0008949900000000 ] - [ 0.0007721100000000, -0.0018382300000000, 0.0017988600000000 ] - [ 0.0004398600000000, -0.0010156500000000, 0.0005754200000000 ] - [ 0.0105009200000000, 0.0068704600000000, 0.0069748600000000 ] - [ 0.0015544700000000, 0.0005252900000000, 0.0018862000000000 ] - [ 0.0005278900000000, 0.0007052000000000, 0.0004881900000000 ] - [ 0.0006238400000000, 0.0001307900000000, 0.0007882100000000 ] - [ -0.0096566000000000, -0.0053824400000000, 0.0063602000000000 ] - [ -0.0007093000000000, 0.0009457500000000, 0.0013153000000000 ] - [ 0.0003600900000000, 0.0007759200000000, -0.0001408800000000 ] - [ 0.0002532700000000, 0.0013500800000000, 0.0001729900000000 ] - [ -0.0088364300000000, 0.0079453200000000, 0.0058561600000000 ] - [ 0.0009778300000000, -0.0008409100000000, 0.0002989000000000 ] - [ 0.0000649500000000, 0.0003563800000000, 0.0012131600000000 ] - [ 0.0004014800000000, -0.0004853300000000, -0.0000364200000000 ] - [ -0.0103572500000000, -0.0007491600000000, -0.0100739300000000 ] - [ 0.0021933300000000, -0.0003063700000000, -0.0006936400000000 ] - [ 0.0009313900000000, -0.0001408200000000, 0.0001467900000000 ] - [ 0.0006623400000000, -0.0000219300000000, 0.0000274800000000 ] - [ 0.0009891700000000, -0.0055544200000000, -0.0137111500000000 ] - [ -0.0001474800000000, 0.0005426100000000, 0.0000906100000000 ] - [ -0.0003906800000000, 0.0008840800000000, 0.0001366500000000 ] - [ -0.0002716000000000, 0.0012551600000000, -0.0000987000000000 ] - [ -0.0001626000000000, 0.0061424300000000, -0.0103228900000000 ] - [ -0.0003580700000000, -0.0005891900000000, 0.0000667700000000 ] - [ -0.0004398000000000, -0.0008584500000000, 0.0000101600000000 ] - [ -0.0005796900000000, -0.0006193800000000, -0.0000511500000000 ] - [ -0.0019266400000000, 0.0070662600000000, -0.0143149500000000 ] - [ -0.0007281000000000, 0.0009406800000000, -0.0005174000000000 ] - [ -0.0004829100000000, 0.0005907900000000, -0.0004661000000000 ] - [ -0.0005913700000000, 0.0002264900000000, -0.0006853400000000 ] - [ -0.0007059600000000, -0.0076704900000000, -0.0109685600000000 ] - [ -0.0004814400000000, -0.0009104900000000, -0.0005486000000000 ] - [ -0.0004037200000000, -0.0006317000000000, -0.0005861400000000 ] - [ -0.0002690700000000, -0.0008754500000000, -0.0006537800000000 ] - [ -0.0327165600000000, 0.0699419100000000, 0.1337897400000000 ] - [ -0.0011066100000000, 0.0001985800000000, 0.0007264400000000 ] - [ -0.0009743000000000, 0.0000827600000000, 0.0004903000000000 ] - [ -0.0008816400000000, 0.0001044300000000, 0.0005639300000000 ] - [ 0.0120926100000000, 0.0007651800000000, -0.0107014200000000 ] - [ -0.0004421600000000, 0.0003253600000000, -0.0013065300000000 ] - [ 0.0008008100000000, 0.0001747200000000, -0.0004914500000000 ] - [ 0.0010363300000000, 0.0000355900000000, -0.0005596800000000 ]- atom: 41 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0002458200000000, -0.0016636000000000, -0.0015735900000000 ] - [ -0.0008021200000000, 0.0004080300000000, 0.0006342000000000 ] - [ -0.0005310500000000, 0.0003818300000000, -0.0000176900000000 ] - [ 0.0008308400000000, -0.0000987600000000, 0.0002599200000000 ] - [ -0.0002458200000000, -0.0016636000000000, 0.0015735900000000 ] - [ -0.0008021200000000, 0.0004080300000000, -0.0006342000000000 ] - [ -0.0005310500000000, 0.0003818300000000, 0.0000176900000000 ] - [ 0.0008308400000000, -0.0000987600000000, -0.0002599200000000 ] - [ -0.0007628800000000, 0.0031427000000000, 0.0031239300000000 ] - [ -0.0004343400000000, -0.0005936200000000, -0.0001505800000000 ] - [ -0.0021796000000000, 0.0040014600000000, -0.0053243200000000 ] - [ -0.0024653300000000, -0.0022431500000000, 0.0025678000000000 ] - [ -0.0007628800000000, 0.0031427000000000, -0.0031239300000000 ] - [ -0.0004343400000000, -0.0005936200000000, 0.0001505800000000 ] - [ -0.0021796000000000, 0.0040014600000000, 0.0053243200000000 ] - [ -0.0024653300000000, -0.0022431500000000, -0.0025678000000000 ] - [ -0.0011287800000000, 0.0027883400000000, 0.0000000000000000 ] - [ 0.0003879300000000, -0.0009784500000000, 0.0000000000000000 ] - [ 0.0322044700000000, 0.0379326300000000, 0.0000000000000000 ] - [ -0.0029002000000000, 0.0006782100000000, 0.0000000000000000 ] - [ 0.0901624800000000, -0.0765418000000000, 0.0000000000000000 ] - [ -0.0026513100000000, -0.0005850600000000, 0.0000000000000000 ] - [ -0.0006519200000000, 0.0024159600000000, 0.0000000000000000 ] - [ -0.0006109600000000, -0.0016327900000000, 0.0000000000000000 ] - [ 0.0013747100000000, -0.0001551500000000, 0.0000000000000000 ] - [ 0.0000491600000000, 0.0009813200000000, 0.0000000000000000 ] - [ -0.0060652000000000, 0.0007099600000000, 0.0000000000000000 ] - [ -0.0096113600000000, -0.0076093600000000, 0.0000000000000000 ] - [ 0.0009460300000000, 0.0002045500000000, 0.0000000000000000 ] - [ -0.0005701500000000, 0.0010836800000000, 0.0000000000000000 ] - [ -0.0019273600000000, -0.0004346900000000, 0.0000000000000000 ] - [ 0.0017277200000000, 0.0001700000000000, 0.0000000000000000 ] - [ -0.0017118900000000, 0.0010832700000000, 0.0000000000000000 ] - [ 0.0003866500000000, -0.0006106700000000, 0.0000000000000000 ] - [ 0.0024712100000000, -0.0011483500000000, 0.0000000000000000 ] - [ -0.0020381200000000, 0.0000100900000000, 0.0000000000000000 ] - [ 0.0015960400000000, -0.0010431400000000, 0.0000000000000000 ] - [ -0.0008120500000000, -0.0006986500000000, 0.0000000000000000 ] - [ -0.0001578200000000, 0.0018970800000000, 0.0000000000000000 ] - [ 0.0006368100000000, -0.0006509900000000, 0.0000000000000000 ] - [ -0.1261364600000000, 0.0602067900000000, 0.0000000000000000 ] - [ 0.0010767400000000, 0.0003185900000000, 0.0000000000000000 ] - [ 0.0003976200000000, -0.0009560800000000, 0.0000000000000000 ] - [ -0.0003745500000000, 0.0014811400000000, 0.0000000000000000 ] - [ 0.0016486700000000, 0.0005776800000000, 0.0000000000000000 ] - [ 0.0149755100000000, -0.0029301500000000, 0.0000000000000000 ] - [ -0.0004482300000000, -0.0001884100000000, 0.0000000000000000 ] - [ -0.0008503200000000, -0.0014741000000000, 0.0000000000000000 ] - [ -0.0002022500000000, 0.0004798400000000, 0.0000000000000000 ] - [ 0.0014074600000000, -0.0009004700000000, 0.0000000000000000 ] - [ 0.0031122400000000, -0.0008229800000000, 0.0000000000000000 ] - [ 0.0047399500000000, 0.0089057400000000, 0.0000000000000000 ] - [ 0.0007681800000000, 0.0012492100000000, 0.0000000000000000 ] - [ -0.0002860400000000, 0.0008602100000000, 0.0000000000000000 ] - [ 0.0000229800000000, 0.0007499000000000, 0.0000000000000000 ] - [ 0.0000176200000000, -0.0003587300000000, 0.0000000000000000 ] - [ -0.0011292300000000, -0.0000342300000000, 0.0000000000000000 ] - [ -0.0000454600000000, -0.0005309100000000, 0.0000000000000000 ] - [ 0.0009230100000000, 0.0000241800000000, 0.0000000000000000 ] - [ -0.0022929900000000, -0.0002586600000000, 0.0000000000000000 ] - [ -0.0008666900000000, 0.0006182600000000, 0.0000000000000000 ] - [ 0.0012690900000000, -0.0007079400000000, 0.0000000000000000 ] - [ 0.0015560900000000, -0.0017513000000000, 0.0000000000000000 ] - [ 0.0000427700000000, 0.0000100500000000, 0.0000000000000000 ] - [ -0.0007281900000000, -0.0010416800000000, -0.0005044100000000 ] - [ -0.0007664100000000, 0.0004730500000000, -0.0003554100000000 ] - [ -0.0024259100000000, -0.0058770900000000, 0.0040130400000000 ] - [ 0.0005866800000000, 0.0000288500000000, 0.0002158100000000 ] - [ -0.0018025100000000, -0.0053045100000000, 0.0036857800000000 ] - [ 0.0008957200000000, -0.0005835800000000, 0.0001229300000000 ] - [ 0.0009873800000000, -0.0022711600000000, 0.0008590800000000 ] - [ 0.0009081400000000, -0.0000989500000000, 0.0005871000000000 ] - [ 0.0002049600000000, -0.0000817600000000, 0.0001555400000000 ] - [ 0.0004616600000000, 0.0006750900000000, 0.0003481200000000 ] - [ 0.0036657200000000, -0.0025767400000000, -0.0024942200000000 ] - [ 0.0033421600000000, 0.0034165000000000, 0.0030758800000000 ] - [ 0.0002049600000000, -0.0000817600000000, -0.0001555400000000 ] - [ 0.0004616600000000, 0.0006750900000000, -0.0003481200000000 ] - [ 0.0036657200000000, -0.0025767400000000, 0.0024942200000000 ] - [ 0.0033421600000000, 0.0034165000000000, -0.0030758800000000 ] - [ -0.0018025100000000, -0.0053045100000000, -0.0036857800000000 ] - [ 0.0008957200000000, -0.0005835800000000, -0.0001229300000000 ] - [ 0.0009873800000000, -0.0022711600000000, -0.0008590800000000 ] - [ 0.0009081400000000, -0.0000989500000000, -0.0005871000000000 ] - [ 0.0000092600000000, 0.0000035200000000, -0.0002710100000000 ] - [ 0.0011716700000000, -0.0001179400000000, 0.0003384400000000 ] - [ 0.0022046400000000, -0.0001694300000000, 0.0015441000000000 ] - [ 0.0003061500000000, 0.0001503800000000, -0.0003220400000000 ] - [ 0.0002254300000000, -0.0003158800000000, -0.0005508200000000 ] - [ -0.0006672200000000, 0.0009882600000000, 0.0004947100000000 ] - [ -0.0012257800000000, 0.0011712300000000, 0.0015002500000000 ] - [ 0.0003359100000000, 0.0003942700000000, -0.0003891900000000 ] - [ -0.0004941700000000, -0.0005839000000000, -0.0003566800000000 ] - [ -0.0000530200000000, -0.0003539300000000, 0.0002451300000000 ] - [ -0.0007610600000000, -0.0023279700000000, 0.0016440900000000 ] - [ -0.0000067700000000, -0.0001483300000000, -0.0002545000000000 ] - [ 0.0002254300000000, -0.0003158800000000, 0.0005508200000000 ] - [ -0.0006672200000000, 0.0009882600000000, -0.0004947100000000 ] - [ -0.0012257800000000, 0.0011712300000000, -0.0015002500000000 ] - [ 0.0003359100000000, 0.0003942700000000, 0.0003891900000000 ] - [ -0.0004941700000000, -0.0005839000000000, 0.0003566800000000 ] - [ -0.0000530200000000, -0.0003539300000000, -0.0002451300000000 ] - [ -0.0007610600000000, -0.0023279700000000, -0.0016440900000000 ] - [ -0.0000067700000000, -0.0001483300000000, 0.0002545000000000 ] - [ -0.0007281900000000, -0.0010416800000000, 0.0005044100000000 ] - [ -0.0007664100000000, 0.0004730500000000, 0.0003554100000000 ] - [ -0.0024259100000000, -0.0058770900000000, -0.0040130400000000 ] - [ 0.0005866800000000, 0.0000288500000000, -0.0002158100000000 ] - [ 0.0000092600000000, 0.0000035200000000, 0.0002710100000000 ] - [ 0.0011716700000000, -0.0001179400000000, -0.0003384400000000 ] - [ 0.0022046400000000, -0.0001694300000000, -0.0015441000000000 ] - [ 0.0003061500000000, 0.0001503800000000, 0.0003220400000000 ]- atom: 41 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0002473300000000, 0.0016707000000000, 0.0015766200000000 ] - [ 0.0008054600000000, -0.0004095300000000, -0.0006398400000000 ] - [ 0.0005322600000000, -0.0003823100000000, 0.0000170700000000 ] - [ -0.0008387500000000, 0.0000968500000000, -0.0002591900000000 ] - [ 0.0002473300000000, 0.0016707000000000, -0.0015766200000000 ] - [ 0.0008054600000000, -0.0004095300000000, 0.0006398400000000 ] - [ 0.0005322600000000, -0.0003823100000000, -0.0000170700000000 ] - [ -0.0008387500000000, 0.0000968500000000, 0.0002591900000000 ] - [ 0.0007560900000000, -0.0031524000000000, -0.0031305600000000 ] - [ 0.0004339500000000, 0.0005897800000000, 0.0001454300000000 ] - [ 0.0022543200000000, -0.0039976700000000, 0.0053651700000000 ] - [ 0.0024760000000000, 0.0022592100000000, -0.0025809900000000 ] - [ 0.0007560900000000, -0.0031524000000000, 0.0031305600000000 ] - [ 0.0004339500000000, 0.0005897800000000, -0.0001454300000000 ] - [ 0.0022543200000000, -0.0039976700000000, -0.0053651700000000 ] - [ 0.0024760000000000, 0.0022592100000000, 0.0025809900000000 ] - [ 0.0011320000000000, -0.0022001300000000, 0.0000000000000000 ] - [ -0.0003918700000000, 0.0015843100000000, 0.0000000000000000 ] - [ -0.0315859800000000, -0.0369179700000000, 0.0000000000000000 ] - [ 0.0029079600000000, -0.0000663200000000, 0.0000000000000000 ] - [ -0.0923029900000000, 0.0798716000000000, 0.0000000000000000 ] - [ 0.0021474800000000, 0.0002629700000000, 0.0000000000000000 ] - [ 0.0001559900000000, -0.0027504700000000, 0.0000000000000000 ] - [ 0.0001012000000000, 0.0013162200000000, 0.0000000000000000 ] - [ -0.0008323500000000, -0.0001239200000000, 0.0000000000000000 ] - [ 0.0004900800000000, -0.0012703800000000, 0.0000000000000000 ] - [ 0.0066213500000000, -0.0009787200000000, 0.0000000000000000 ] - [ 0.0101940200000000, 0.0074692800000000, 0.0000000000000000 ] - [ -0.0009251900000000, 0.0003977900000000, 0.0000000000000000 ] - [ 0.0005916600000000, -0.0004931500000000, 0.0000000000000000 ] - [ 0.0019572000000000, 0.0010349100000000, 0.0000000000000000 ] - [ -0.0017197400000000, 0.0004255100000000, 0.0000000000000000 ] - [ 0.0011896700000000, -0.0013936700000000, 0.0000000000000000 ] - [ -0.0009153300000000, 0.0003104900000000, 0.0000000000000000 ] - [ -0.0030066400000000, 0.0008526100000000, 0.0000000000000000 ] - [ 0.0015198500000000, -0.0003091700000000, 0.0000000000000000 ] - [ -0.0010924400000000, 0.0007184900000000, 0.0000000000000000 ] - [ 0.0013271000000000, 0.0003707800000000, 0.0000000000000000 ] - [ 0.0006696700000000, -0.0022408100000000, 0.0000000000000000 ] - [ -0.0001269000000000, 0.0003211800000000, 0.0000000000000000 ] - [ 0.1271980600000000, -0.0631654100000000, 0.0000000000000000 ] - [ -0.0013267000000000, 0.0009151500000000, 0.0000000000000000 ] - [ -0.0006551700000000, 0.0022426200000000, 0.0000000000000000 ] - [ 0.0001240000000000, -0.0002070700000000, 0.0000000000000000 ] - [ -0.0026600300000000, -0.0014697100000000, 0.0000000000000000 ] - [ -0.0163582000000000, 0.0021148900000000, 0.0000000000000000 ] - [ -0.0005483600000000, -0.0006986600000000, 0.0000000000000000 ] - [ -0.0001478000000000, 0.0005880000000000, 0.0000000000000000 ] - [ 0.0014177000000000, -0.0008992000000000, 0.0000000000000000 ] - [ -0.0002081800000000, 0.0004941200000000, 0.0000000000000000 ] - [ -0.0018743000000000, 0.0004022200000000, 0.0000000000000000 ] - [ -0.0035070400000000, -0.0094641200000000, 0.0000000000000000 ] - [ -0.0005008900000000, 0.0000520600000000, 0.0000000000000000 ] - [ 0.0005652100000000, 0.0004427900000000, 0.0000000000000000 ] - [ 0.0002466700000000, 0.0005524500000000, 0.0000000000000000 ] - [ 0.0002485300000000, 0.0016569000000000, 0.0000000000000000 ] - [ -0.0000980600000000, -0.0003838100000000, 0.0000000000000000 ] - [ -0.0011911600000000, 0.0001135300000000, 0.0000000000000000 ] - [ -0.0021479300000000, -0.0004362700000000, 0.0000000000000000 ] - [ 0.0010691800000000, -0.0001575500000000, 0.0000000000000000 ] - [ 0.0018394200000000, -0.0014679000000000, 0.0000000000000000 ] - [ -0.0002955500000000, -0.0001471600000000, 0.0000000000000000 ] - [ -0.0005791800000000, 0.0009149100000000, 0.0000000000000000 ] - [ 0.0009333200000000, -0.0008547400000000, 0.0000000000000000 ] - [ -0.0009861400000000, 0.0010683300000000, -0.0000950400000000 ] - [ -0.0009517400000000, -0.0004550200000000, -0.0002499100000000 ] - [ 0.0006312400000000, 0.0059404100000000, -0.0046552900000000 ] - [ -0.0023240000000000, 0.0000010400000000, -0.0008458400000000 ] - [ 0.0026597000000000, 0.0038576300000000, -0.0031412700000000 ] - [ -0.0000552200000000, -0.0009030500000000, 0.0004741800000000 ] - [ -0.0001595400000000, 0.0007816700000000, -0.0002515200000000 ] - [ -0.0000671500000000, -0.0013996400000000, 0.0000226500000000 ] - [ 0.0006726300000000, 0.0015679200000000, 0.0004586200000000 ] - [ 0.0004234900000000, 0.0008152400000000, 0.0002772900000000 ] - [ -0.0027710400000000, 0.0040328500000000, 0.0030761600000000 ] - [ -0.0024795800000000, -0.0019605100000000, -0.0024796900000000 ] - [ 0.0006726300000000, 0.0015679200000000, -0.0004586200000000 ] - [ 0.0004234900000000, 0.0008152400000000, -0.0002772900000000 ] - [ -0.0027710400000000, 0.0040328500000000, -0.0030761600000000 ] - [ -0.0024795800000000, -0.0019605100000000, 0.0024796900000000 ] - [ 0.0026597000000000, 0.0038576300000000, 0.0031412700000000 ] - [ -0.0000552200000000, -0.0009030500000000, -0.0004741800000000 ] - [ -0.0001595400000000, 0.0007816700000000, 0.0002515200000000 ] - [ -0.0000671500000000, -0.0013996400000000, -0.0000226500000000 ] - [ 0.0017097500000000, 0.0000192800000000, 0.0008850900000000 ] - [ 0.0005506600000000, 0.0001421500000000, 0.0002792100000000 ] - [ -0.0005029300000000, 0.0001881500000000, -0.0009439700000000 ] - [ 0.0014180400000000, -0.0001270900000000, 0.0009415800000000 ] - [ -0.0011003700000000, 0.0017965000000000, 0.0011559900000000 ] - [ -0.0002082100000000, 0.0004929300000000, 0.0001127700000000 ] - [ 0.0003465400000000, 0.0003059400000000, -0.0009008900000000 ] - [ -0.0012229300000000, 0.0010873500000000, 0.0010090600000000 ] - [ -0.0003483700000000, -0.0009221100000000, 0.0009797500000000 ] - [ -0.0007962300000000, -0.0011534900000000, 0.0003731600000000 ] - [ -0.0000886300000000, 0.0008384000000000, -0.0010469900000000 ] - [ -0.0008413200000000, -0.0013542300000000, 0.0008697500000000 ] - [ -0.0011003700000000, 0.0017965000000000, -0.0011559900000000 ] - [ -0.0002082100000000, 0.0004929300000000, -0.0001127700000000 ] - [ 0.0003465400000000, 0.0003059400000000, 0.0009008900000000 ] - [ -0.0012229300000000, 0.0010873500000000, -0.0010090600000000 ] - [ -0.0003483700000000, -0.0009221100000000, -0.0009797500000000 ] - [ -0.0007962300000000, -0.0011534900000000, -0.0003731600000000 ] - [ -0.0000886300000000, 0.0008384000000000, 0.0010469900000000 ] - [ -0.0008413200000000, -0.0013542300000000, -0.0008697500000000 ] - [ -0.0009861400000000, 0.0010683300000000, 0.0000950400000000 ] - [ -0.0009517400000000, -0.0004550200000000, 0.0002499100000000 ] - [ 0.0006312400000000, 0.0059404100000000, 0.0046552900000000 ] - [ -0.0023240000000000, 0.0000010400000000, 0.0008458400000000 ] - [ 0.0017097500000000, 0.0000192800000000, -0.0008850900000000 ] - [ 0.0005506600000000, 0.0001421500000000, -0.0002792100000000 ] - [ -0.0005029300000000, 0.0001881500000000, 0.0009439700000000 ] - [ 0.0014180400000000, -0.0001270900000000, -0.0009415800000000 ]- atom: 41 displacement: [ -0.0050000000003079, 0.0086602540376666, 0.0000000000000000 ] forces: - [ -0.0018793000000000, 0.0018381600000000, -0.0007064500000000 ] - [ 0.0012687200000000, 0.0002304600000000, -0.0005693200000000 ] - [ 0.0008081000000000, -0.0013163800000000, 0.0000266000000000 ] - [ -0.0015055100000000, -0.0012514300000000, 0.0005693500000000 ] - [ -0.0018793000000000, 0.0018381600000000, 0.0007064500000000 ] - [ 0.0012687200000000, 0.0002304600000000, 0.0005693200000000 ] - [ 0.0008081000000000, -0.0013163800000000, -0.0000266000000000 ] - [ -0.0015055100000000, -0.0012514300000000, -0.0005693500000000 ] - [ 0.0077933500000000, -0.0122633200000000, -0.0109563600000000 ] - [ -0.0008179100000000, -0.0000584400000000, -0.0000415200000000 ] - [ 0.0149830500000000, -0.0003029000000000, 0.0130747400000000 ] - [ 0.0000899200000000, 0.0008146400000000, -0.0003664200000000 ] - [ 0.0077933500000000, -0.0122633200000000, 0.0109563600000000 ] - [ -0.0008179100000000, -0.0000584400000000, 0.0000415200000000 ] - [ 0.0149830500000000, -0.0003029000000000, -0.0130747400000000 ] - [ 0.0000899200000000, 0.0008146400000000, 0.0003664200000000 ] - [ 0.0038356800000000, -0.0049300200000000, 0.0000000000000000 ] - [ -0.0032712000000000, -0.0000631900000000, 0.0000000000000000 ] - [ 0.0139460400000000, 0.1264151800000000, 0.0000000000000000 ] - [ 0.0026476900000000, 0.0003987100000000, 0.0000000000000000 ] - [ -0.1139909800000000, 0.1364893000000000, 0.0000000000000000 ] - [ 0.0015714300000000, 0.0009475300000000, 0.0000000000000000 ] - [ 0.0023217200000000, -0.0064940300000000, 0.0000000000000000 ] - [ -0.0022425000000000, -0.0019115500000000, 0.0000000000000000 ] - [ -0.0026082400000000, -0.0038213800000000, 0.0000000000000000 ] - [ 0.0005533600000000, -0.0037386700000000, 0.0000000000000000 ] - [ 0.0065389000000000, 0.0017461300000000, 0.0000000000000000 ] - [ -0.0013397500000000, 0.0210629900000000, 0.0000000000000000 ] - [ -0.0030598800000000, -0.0016634500000000, 0.0000000000000000 ] - [ 0.0018657800000000, -0.0016452700000000, 0.0000000000000000 ] - [ 0.0028871500000000, 0.0026368200000000, 0.0000000000000000 ] - [ -0.0021395200000000, 0.0022917800000000, 0.0000000000000000 ] - [ 0.0045582900000000, -0.0032448000000000, 0.0000000000000000 ] - [ -0.0020704800000000, -0.0009571800000000, 0.0000000000000000 ] - [ -0.0046747200000000, 0.0038703100000000, 0.0000000000000000 ] - [ 0.0014381600000000, 0.0005691500000000, 0.0000000000000000 ] - [ -0.0013130900000000, 0.0045113500000000, 0.0000000000000000 ] - [ 0.0011169000000000, 0.0016908800000000, 0.0000000000000000 ] - [ 0.0019464100000000, -0.0055458400000000, 0.0000000000000000 ] - [ -0.0008763600000000, -0.0019937700000000, 0.0000000000000000 ] - [ 0.1215586100000000, -0.3406748000000000, 0.0000000000000000 ] - [ -0.0009900200000000, 0.0002135500000000, 0.0000000000000000 ] - [ -0.0017826300000000, 0.0047069800000000, 0.0000000000000000 ] - [ 0.0007289900000000, 0.0014615800000000, 0.0000000000000000 ] - [ -0.0021957200000000, -0.0023568400000000, 0.0000000000000000 ] - [ -0.0200592300000000, -0.0069442300000000, 0.0000000000000000 ] - [ 0.0009766900000000, 0.0013451200000000, 0.0000000000000000 ] - [ -0.0003285000000000, 0.0025273100000000, 0.0000000000000000 ] - [ 0.0031173300000000, 0.0006175600000000, 0.0000000000000000 ] - [ -0.0016735300000000, 0.0014092600000000, 0.0000000000000000 ] - [ -0.0020515600000000, 0.0001040400000000, 0.0000000000000000 ] - [ 0.0159643400000000, -0.0024959800000000, 0.0000000000000000 ] - [ -0.0006907200000000, -0.0012539000000000, 0.0000000000000000 ] - [ 0.0001501800000000, -0.0017448000000000, 0.0000000000000000 ] - [ 0.0010708000000000, 0.0026289700000000, 0.0000000000000000 ] - [ 0.0001187200000000, 0.0031643900000000, 0.0000000000000000 ] - [ 0.0013847500000000, 0.0003526000000000, 0.0000000000000000 ] - [ -0.0027121000000000, 0.0003602200000000, 0.0000000000000000 ] - [ -0.0027102500000000, -0.0007455300000000, 0.0000000000000000 ] - [ 0.0014230100000000, -0.0009598800000000, 0.0000000000000000 ] - [ 0.0029086600000000, -0.0036672800000000, 0.0000000000000000 ] - [ -0.0000624100000000, -0.0007896100000000, 0.0000000000000000 ] - [ -0.0028716700000000, 0.0034602500000000, 0.0000000000000000 ] - [ 0.0011628000000000, -0.0000803200000000, 0.0000000000000000 ] - [ -0.0036604700000000, 0.0019959200000000, -0.0011493200000000 ] - [ 0.0003654200000000, -0.0001321300000000, 0.0002292300000000 ] - [ -0.0104985300000000, 0.0155486300000000, -0.0168437400000000 ] - [ -0.0017558300000000, 0.0001503600000000, -0.0006706700000000 ] - [ -0.0085975600000000, 0.0234190600000000, -0.0179767800000000 ] - [ 0.0001079800000000, -0.0011119500000000, 0.0005837100000000 ] - [ -0.0022041300000000, 0.0022243200000000, -0.0007545700000000 ] - [ 0.0012613600000000, -0.0004983600000000, 0.0003442500000000 ] - [ 0.0011215900000000, 0.0041169800000000, 0.0009753300000000 ] - [ 0.0007634900000000, 0.0017129400000000, 0.0005454900000000 ] - [ -0.0038238200000000, 0.0004423500000000, 0.0015229900000000 ] - [ -0.0002607300000000, -0.0024773000000000, -0.0007573000000000 ] - [ 0.0011215900000000, 0.0041169800000000, -0.0009753300000000 ] - [ 0.0007634900000000, 0.0017129400000000, -0.0005454900000000 ] - [ -0.0038238200000000, 0.0004423500000000, -0.0015229900000000 ] - [ -0.0002607300000000, -0.0024773000000000, 0.0007573000000000 ] - [ -0.0085975600000000, 0.0234190600000000, 0.0179767800000000 ] - [ 0.0001079800000000, -0.0011119500000000, -0.0005837100000000 ] - [ -0.0022041300000000, 0.0022243200000000, 0.0007545700000000 ] - [ 0.0012613600000000, -0.0004983600000000, -0.0003442500000000 ] - [ 0.0029401800000000, 0.0008349700000000, 0.0024606900000000 ] - [ 0.0004378400000000, 0.0002987400000000, 0.0003045100000000 ] - [ -0.0025155500000000, -0.0000891600000000, -0.0022754900000000 ] - [ 0.0017182400000000, -0.0003176900000000, 0.0004461100000000 ] - [ -0.0034684500000000, 0.0049031100000000, 0.0037739900000000 ] - [ 0.0000866700000000, 0.0009317400000000, 0.0000389300000000 ] - [ 0.0009163700000000, -0.0021072800000000, -0.0024842900000000 ] - [ -0.0009230800000000, 0.0006523700000000, 0.0006025200000000 ] - [ -0.0015918800000000, -0.0026289100000000, 0.0029906400000000 ] - [ -0.0004125300000000, -0.0013762300000000, 0.0006085400000000 ] - [ -0.0004934100000000, 0.0023892900000000, -0.0029825300000000 ] - [ -0.0002922600000000, -0.0002023600000000, 0.0000758400000000 ] - [ -0.0034684500000000, 0.0049031100000000, -0.0037739900000000 ] - [ 0.0000866700000000, 0.0009317400000000, -0.0000389300000000 ] - [ 0.0009163700000000, -0.0021072800000000, 0.0024842900000000 ] - [ -0.0009230800000000, 0.0006523700000000, -0.0006025200000000 ] - [ -0.0015918800000000, -0.0026289100000000, -0.0029906400000000 ] - [ -0.0004125300000000, -0.0013762300000000, -0.0006085400000000 ] - [ -0.0004934100000000, 0.0023892900000000, 0.0029825300000000 ] - [ -0.0002922600000000, -0.0002023600000000, -0.0000758400000000 ] - [ -0.0036604700000000, 0.0019959200000000, 0.0011493200000000 ] - [ 0.0003654200000000, -0.0001321300000000, -0.0002292300000000 ] - [ -0.0104985300000000, 0.0155486300000000, 0.0168437400000000 ] - [ -0.0017558300000000, 0.0001503600000000, 0.0006706700000000 ] - [ 0.0029401800000000, 0.0008349700000000, -0.0024606900000000 ] - [ 0.0004378400000000, 0.0002987400000000, -0.0003045100000000 ] - [ -0.0025155500000000, -0.0000891600000000, 0.0022754900000000 ] - [ 0.0017182400000000, -0.0003176900000000, -0.0004461100000000 ]- atom: 41 displacement: [ 0.0050000000003079, -0.0086602540376666, 0.0000000000000000 ] forces: - [ 0.0018786600000000, -0.0018237400000000, 0.0007125100000000 ] - [ -0.0012692700000000, -0.0002247900000000, 0.0005699600000000 ] - [ -0.0008115200000000, 0.0013132800000000, -0.0000264000000000 ] - [ 0.0015058800000000, 0.0012463700000000, -0.0005640500000000 ] - [ 0.0018786600000000, -0.0018237400000000, -0.0007125100000000 ] - [ -0.0012692700000000, -0.0002247900000000, -0.0005699600000000 ] - [ -0.0008115200000000, 0.0013132800000000, 0.0000264000000000 ] - [ 0.0015058800000000, 0.0012463700000000, 0.0005640500000000 ] - [ -0.0077589000000000, 0.0122084500000000, 0.0109176200000000 ] - [ 0.0008149800000000, 0.0000574200000000, 0.0000425700000000 ] - [ -0.0149902000000000, 0.0002875100000000, -0.0130839900000000 ] - [ -0.0001200300000000, -0.0008174400000000, 0.0003806600000000 ] - [ -0.0077589000000000, 0.0122084500000000, -0.0109176200000000 ] - [ 0.0008149800000000, 0.0000574200000000, -0.0000425700000000 ] - [ -0.0149902000000000, 0.0002875100000000, 0.0130839900000000 ] - [ -0.0001200300000000, -0.0008174400000000, -0.0003806600000000 ] - [ -0.0038287600000000, 0.0055398200000000, 0.0000000000000000 ] - [ 0.0032566500000000, 0.0006675600000000, 0.0000000000000000 ] - [ -0.0160237000000000, -0.1319334200000000, 0.0000000000000000 ] - [ -0.0026552700000000, 0.0002097000000000, 0.0000000000000000 ] - [ 0.1061255100000000, -0.1281053400000000, 0.0000000000000000 ] - [ -0.0020764600000000, -0.0012583600000000, 0.0000000000000000 ] - [ -0.0028169800000000, 0.0061757400000000, 0.0000000000000000 ] - [ 0.0017099800000000, 0.0015638200000000, 0.0000000000000000 ] - [ 0.0031365300000000, 0.0035253800000000, 0.0000000000000000 ] - [ -0.0000029100000000, 0.0034577400000000, 0.0000000000000000 ] - [ -0.0060015100000000, -0.0020350800000000, 0.0000000000000000 ] - [ 0.0017571400000000, -0.0212488100000000, 0.0000000000000000 ] - [ 0.0030682900000000, 0.0022531600000000, 0.0000000000000000 ] - [ -0.0018332700000000, 0.0022483800000000, 0.0000000000000000 ] - [ -0.0028665300000000, -0.0020373100000000, 0.0000000000000000 ] - [ 0.0021653200000000, -0.0016803900000000, 0.0000000000000000 ] - [ -0.0050813500000000, 0.0029376800000000, 0.0000000000000000 ] - [ 0.0015370300000000, 0.0006494700000000, 0.0000000000000000 ] - [ 0.0041487000000000, -0.0041635100000000, 0.0000000000000000 ] - [ -0.0019758600000000, -0.0008685200000000, 0.0000000000000000 ] - [ 0.0018222000000000, -0.0048188500000000, 0.0000000000000000 ] - [ -0.0006079500000000, -0.0020251700000000, 0.0000000000000000 ] - [ -0.0014297500000000, 0.0052065500000000, 0.0000000000000000 ] - [ 0.0013830500000000, 0.0016466400000000, 0.0000000000000000 ] - [ -0.1120040800000000, 0.3390394500000000, 0.0000000000000000 ] - [ 0.0007293400000000, 0.0010552800000000, 0.0000000000000000 ] - [ 0.0015178400000000, -0.0034323300000000, 0.0000000000000000 ] - [ -0.0009873200000000, -0.0001814700000000, 0.0000000000000000 ] - [ 0.0012025800000000, 0.0014658300000000, 0.0000000000000000 ] - [ 0.0188353600000000, 0.0059807600000000, 0.0000000000000000 ] - [ -0.0019524900000000, -0.0022160900000000, 0.0000000000000000 ] - [ -0.0006688700000000, -0.0034143300000000, 0.0000000000000000 ] - [ -0.0018828800000000, -0.0010266900000000, 0.0000000000000000 ] - [ 0.0028848900000000, -0.0018159400000000, 0.0000000000000000 ] - [ 0.0032697400000000, -0.0005141600000000, 0.0000000000000000 ] - [ -0.0146831400000000, 0.0021419800000000, 0.0000000000000000 ] - [ 0.0009683800000000, 0.0025512600000000, 0.0000000000000000 ] - [ 0.0001202100000000, 0.0030188300000000, 0.0000000000000000 ] - [ -0.0007862400000000, -0.0013095900000000, 0.0000000000000000 ] - [ 0.0001553100000000, -0.0018626900000000, 0.0000000000000000 ] - [ -0.0025919300000000, -0.0007539300000000, 0.0000000000000000 ] - [ 0.0014829600000000, -0.0007652000000000, 0.0000000000000000 ] - [ 0.0014846600000000, 0.0003385900000000, 0.0000000000000000 ] - [ -0.0026509700000000, 0.0005487800000000, 0.0000000000000000 ] - [ -0.0019238600000000, 0.0027949200000000, 0.0000000000000000 ] - [ 0.0010334100000000, -0.0000675300000000, 0.0000000000000000 ] - [ 0.0038416100000000, -0.0043089400000000, 0.0000000000000000 ] - [ -0.0001894800000000, -0.0007705800000000, 0.0000000000000000 ] - [ 0.0019225400000000, -0.0019687500000000, 0.0005351800000000 ] - [ -0.0020815600000000, 0.0001577500000000, -0.0008327200000000 ] - [ 0.0087741300000000, -0.0157422300000000, 0.0164547800000000 ] - [ 0.0000434700000000, -0.0001253800000000, 0.0000695900000000 ] - [ 0.0093378100000000, -0.0245580600000000, 0.0182535400000000 ] - [ 0.0007302700000000, -0.0003968200000000, 0.0000281500000000 ] - [ 0.0030384800000000, -0.0037254000000000, 0.0013653900000000 ] - [ -0.0004110100000000, -0.0010052000000000, 0.0002717200000000 ] - [ -0.0002353400000000, -0.0026189400000000, -0.0003600700000000 ] - [ 0.0001191200000000, -0.0002281100000000, 0.0000668200000000 ] - [ 0.0047298400000000, 0.0010450700000000, -0.0009240500000000 ] - [ 0.0011566500000000, 0.0039534700000000, 0.0013773300000000 ] - [ -0.0002353400000000, -0.0026189400000000, 0.0003600700000000 ] - [ 0.0001191200000000, -0.0002281100000000, -0.0000668200000000 ] - [ 0.0047298400000000, 0.0010450700000000, 0.0009240500000000 ] - [ 0.0011566500000000, 0.0039534700000000, -0.0013773300000000 ] - [ 0.0093378100000000, -0.0245580600000000, -0.0182535400000000 ] - [ 0.0007302700000000, -0.0003968200000000, -0.0000281500000000 ] - [ 0.0030384800000000, -0.0037254000000000, -0.0013653900000000 ] - [ -0.0004110100000000, -0.0010052000000000, -0.0002717200000000 ] - [ -0.0012114600000000, -0.0008057200000000, -0.0018453800000000 ] - [ 0.0012764700000000, -0.0002726700000000, 0.0003004800000000 ] - [ 0.0042438500000000, 0.0001164600000000, 0.0028930700000000 ] - [ 0.0000104500000000, 0.0003457200000000, 0.0001649100000000 ] - [ 0.0025710200000000, -0.0033994800000000, -0.0031484400000000 ] - [ -0.0009748900000000, 0.0005535900000000, 0.0005728000000000 ] - [ -0.0018077900000000, 0.0035967000000000, 0.0030941400000000 ] - [ 0.0000450200000000, 0.0008229200000000, -0.0000017700000000 ] - [ 0.0007432400000000, 0.0011194000000000, -0.0023768900000000 ] - [ -0.0004290100000000, -0.0001260200000000, -0.0000011400000000 ] - [ -0.0003521200000000, -0.0038920500000000, 0.0035907800000000 ] - [ -0.0005463000000000, -0.0012948500000000, 0.0005297100000000 ] - [ 0.0025710200000000, -0.0033994800000000, 0.0031484400000000 ] - [ -0.0009748900000000, 0.0005535900000000, -0.0005728000000000 ] - [ -0.0018077900000000, 0.0035967000000000, -0.0030941400000000 ] - [ 0.0000450200000000, 0.0008229200000000, 0.0000017700000000 ] - [ 0.0007432400000000, 0.0011194000000000, 0.0023768900000000 ] - [ -0.0004290100000000, -0.0001260200000000, 0.0000011400000000 ] - [ -0.0003521200000000, -0.0038920500000000, -0.0035907800000000 ] - [ -0.0005463000000000, -0.0012948500000000, -0.0005297100000000 ] - [ 0.0019225400000000, -0.0019687500000000, -0.0005351800000000 ] - [ -0.0020815600000000, 0.0001577500000000, 0.0008327200000000 ] - [ 0.0087741300000000, -0.0157422300000000, -0.0164547800000000 ] - [ 0.0000434700000000, -0.0001253800000000, -0.0000695900000000 ] - [ -0.0012114600000000, -0.0008057200000000, 0.0018453800000000 ] - [ 0.0012764700000000, -0.0002726700000000, -0.0003004800000000 ] - [ 0.0042438500000000, 0.0001164600000000, -0.0028930700000000 ] - [ 0.0000104500000000, 0.0003457200000000, -0.0001649100000000 ]- atom: 41 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0015528400000000, -0.0011715500000000, -0.0009927400000000 ] - [ 0.0001340700000000, 0.0000397200000000, 0.0000206200000000 ] - [ -0.0001201700000000, -0.0000433000000000, -0.0000099300000000 ] - [ 0.0003700000000000, 0.0003335000000000, -0.0000928400000000 ] - [ 0.0015460900000000, 0.0011680400000000, -0.0009976900000000 ] - [ -0.0001370200000000, -0.0000373400000000, 0.0000175800000000 ] - [ 0.0001176800000000, 0.0000453700000000, -0.0000094300000000 ] - [ -0.0003700700000000, -0.0003328400000000, -0.0000946900000000 ] - [ 0.0032771500000000, -0.0049196900000000, -0.0038217400000000 ] - [ -0.0002705300000000, -0.0000894900000000, -0.0000039500000000 ] - [ -0.0061248000000000, 0.0019501600000000, -0.0044172300000000 ] - [ 0.0001853100000000, 0.0000466700000000, 0.0000910100000000 ] - [ -0.0032867000000000, 0.0049260000000000, -0.0038332100000000 ] - [ 0.0002598900000000, 0.0000933200000000, -0.0000046100000000 ] - [ 0.0061255300000000, -0.0019322600000000, -0.0044243800000000 ] - [ -0.0001812800000000, -0.0000508900000000, 0.0000730500000000 ] - [ 0.0000024400000000, 0.0003007400000000, 0.0014590400000000 ] - [ 0.0000011700000000, 0.0002976100000000, 0.0004092700000000 ] - [ 0.0001549700000000, 0.0007314600000000, 0.0159972700000000 ] - [ -0.0000007000000000, 0.0003010500000000, 0.0001464600000000 ] - [ 0.0000675600000000, -0.0004657100000000, 0.0159746400000000 ] - [ -0.0002552100000000, -0.0001516900000000, 0.0001636000000000 ] - [ -0.0002531200000000, -0.0001535700000000, 0.0021943200000000 ] - [ -0.0002508600000000, -0.0001543900000000, 0.0001155100000000 ] - [ 0.0002672300000000, -0.0001410900000000, 0.0018485500000000 ] - [ 0.0002701200000000, -0.0001392900000000, 0.0002239300000000 ] - [ 0.0002607900000000, -0.0001384400000000, 0.0036079400000000 ] - [ 0.0002568300000000, -0.0001417700000000, 0.0011922500000000 ] - [ 0.0000059600000000, 0.0002961900000000, -0.0015921700000000 ] - [ 0.0000046100000000, 0.0002925000000000, -0.0001670100000000 ] - [ 0.0000070200000000, 0.0002967600000000, -0.0018052000000000 ] - [ 0.0000113200000000, 0.0002959800000000, -0.0006320900000000 ] - [ -0.0002607900000000, -0.0001496400000000, -0.0015952900000000 ] - [ -0.0002567800000000, -0.0001559000000000, -0.0002137500000000 ] - [ -0.0002480600000000, -0.0001466600000000, -0.0039369700000000 ] - [ -0.0002630500000000, -0.0001525600000000, -0.0001177800000000 ] - [ 0.0002599000000000, -0.0001625100000000, -0.0022137900000000 ] - [ 0.0002540900000000, -0.0001663200000000, -0.0004096900000000 ] - [ 0.0002565200000000, -0.0001583200000000, -0.0018467600000000 ] - [ 0.0002477700000000, -0.0001578900000000, -0.0001436400000000 ] - [ -0.0006194200000000, 0.0004996800000000, -0.0254238400000000 ] - [ -0.0001204900000000, 0.0006242900000000, -0.0000404100000000 ] - [ -0.0001241100000000, 0.0006201900000000, -0.0004016500000000 ] - [ -0.0001335000000000, 0.0006467400000000, -0.0000693000000000 ] - [ -0.0005030700000000, -0.0004474400000000, -0.0004680400000000 ] - [ -0.0004802200000000, -0.0004425200000000, -0.0040538200000000 ] - [ -0.0004860500000000, -0.0004384200000000, -0.0001853100000000 ] - [ -0.0005014000000000, -0.0004435100000000, -0.0004874200000000 ] - [ 0.0006071200000000, -0.0002081200000000, -0.0004684200000000 ] - [ 0.0006193600000000, -0.0002109500000000, -0.0001852600000000 ] - [ 0.0006138400000000, -0.0002098100000000, -0.0004875700000000 ] - [ 0.0006184800000000, -0.0002013600000000, -0.0040538200000000 ] - [ 0.0001414700000000, 0.0006631700000000, 0.0003858000000000 ] - [ 0.0001280300000000, 0.0006449500000000, 0.0003697200000000 ] - [ 0.0001415500000000, 0.0006720800000000, 0.0002440800000000 ] - [ 0.0001310800000000, 0.0006287900000000, 0.0002439300000000 ] - [ -0.0006029100000000, -0.0002093400000000, 0.0002749400000000 ] - [ -0.0006312600000000, -0.0002108000000000, 0.0002247800000000 ] - [ -0.0006071900000000, -0.0002077600000000, 0.0002248800000000 ] - [ -0.0006053300000000, -0.0002008200000000, 0.0006992700000000 ] - [ 0.0004963200000000, -0.0004366200000000, 0.0011342600000000 ] - [ 0.0004790500000000, -0.0004185300000000, 0.0000601400000000 ] - [ 0.0004933200000000, -0.0004222200000000, 0.0004839400000000 ] - [ 0.0004749000000000, -0.0004157500000000, 0.0000605100000000 ] - [ -0.0019378000000000, 0.0003962200000000, -0.0010449500000000 ] - [ -0.0007027700000000, 0.0001664400000000, -0.0004471900000000 ] - [ 0.0033836500000000, -0.0077645300000000, 0.0018024100000000 ] - [ -0.0008996800000000, 0.0000370000000000, -0.0003861300000000 ] - [ 0.0054265700000000, -0.0128904600000000, 0.0030879800000000 ] - [ 0.0004041000000000, -0.0006823500000000, 0.0002015200000000 ] - [ -0.0006015000000000, 0.0004262600000000, -0.0006448000000000 ] - [ 0.0004197500000000, -0.0007408200000000, 0.0002104800000000 ] - [ 0.0001356600000000, -0.0006082700000000, -0.0003856200000000 ] - [ 0.0003612100000000, 0.0007553400000000, 0.0001910800000000 ] - [ -0.0019719400000000, 0.0016003700000000, -0.0003692500000000 ] - [ 0.0004123400000000, 0.0007346600000000, 0.0000523600000000 ] - [ 0.0007395800000000, 0.0020911500000000, -0.0009970100000000 ] - [ 0.0005107700000000, 0.0007267300000000, -0.0004117700000000 ] - [ 0.0028550100000000, -0.0001243100000000, -0.0009819400000000 ] - [ 0.0004663000000000, 0.0007457000000000, -0.0005593000000000 ] - [ -0.0046069900000000, 0.0114780900000000, 0.0024934500000000 ] - [ 0.0004365200000000, -0.0008034700000000, -0.0003907400000000 ] - [ 0.0014433500000000, -0.0019129600000000, -0.0012374400000000 ] - [ 0.0004169800000000, -0.0007589600000000, -0.0004104300000000 ] - [ 0.0013713700000000, 0.0004622500000000, 0.0014937400000000 ] - [ 0.0009330300000000, 0.0000544500000000, 0.0004078800000000 ] - [ 0.0021929300000000, -0.0000228800000000, 0.0016737900000000 ] - [ 0.0006939500000000, 0.0000149600000000, 0.0004438400000000 ] - [ -0.0013168700000000, 0.0020440600000000, 0.0017224400000000 ] - [ -0.0004701800000000, 0.0007339000000000, 0.0003975800000000 ] - [ -0.0003608200000000, 0.0005188200000000, 0.0025287600000000 ] - [ -0.0004831100000000, 0.0007487100000000, 0.0003530300000000 ] - [ -0.0009189300000000, -0.0011902400000000, 0.0016474300000000 ] - [ -0.0002056600000000, -0.0007036200000000, 0.0004696200000000 ] - [ -0.0004912500000000, -0.0019115300000000, 0.0019525400000000 ] - [ -0.0004098900000000, -0.0007753400000000, 0.0003627800000000 ] - [ 0.0004544200000000, -0.0005807300000000, 0.0011383300000000 ] - [ -0.0004001900000000, 0.0007362800000000, -0.0001980200000000 ] - [ -0.0005254300000000, 0.0009538500000000, 0.0019006700000000 ] - [ -0.0003907600000000, 0.0007251000000000, -0.0002445900000000 ] - [ 0.0000684300000000, -0.0002963300000000, 0.0010535700000000 ] - [ -0.0006347100000000, -0.0008014900000000, -0.0001520000000000 ] - [ -0.0003632000000000, 0.0004136100000000, 0.0013577400000000 ] - [ -0.0004259800000000, -0.0007262300000000, -0.0002576900000000 ] - [ 0.0002215500000000, -0.0003710900000000, -0.0004311900000000 ] - [ -0.0010014000000000, -0.0001448700000000, 0.0001468800000000 ] - [ -0.0050923300000000, 0.0077109000000000, 0.0023846500000000 ] - [ -0.0008186000000000, -0.0000152800000000, 0.0002201400000000 ] - [ 0.0003344600000000, -0.0004474200000000, 0.0009043800000000 ] - [ 0.0007896200000000, -0.0000238600000000, -0.0002177500000000 ] - [ -0.0004845600000000, 0.0000399800000000, 0.0010776300000000 ] - [ 0.0010013800000000, 0.0000043100000000, -0.0001487300000000 ]- atom: 65 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0022025000000000, 0.0011966600000000, 0.0000214600000000 ] - [ 0.0009007300000000, -0.0027414200000000, 0.0021917900000000 ] - [ 0.0010574200000000, -0.0015836900000000, 0.0003434800000000 ] - [ -0.0005656700000000, 0.0005637900000000, 0.0003070100000000 ] - [ -0.0007503300000000, 0.0003892100000000, -0.0000660200000000 ] - [ 0.0003830500000000, -0.0011446700000000, -0.0011971200000000 ] - [ 0.0008140000000000, -0.0002800200000000, -0.0004866600000000 ] - [ -0.0005434100000000, 0.0005643400000000, -0.0003179600000000 ] - [ 0.0755457100000000, -0.0002798000000000, 0.0375321100000000 ] - [ -0.0072986800000000, -0.0015092000000000, 0.0032598500000000 ] - [ -0.0014905400000000, 0.0034862100000000, 0.0021124900000000 ] - [ 0.0002820400000000, -0.0028128600000000, 0.0006069100000000 ] - [ 0.0134207700000000, -0.0000830000000000, -0.0073679000000000 ] - [ -0.0055132800000000, -0.0022834500000000, -0.0041736500000000 ] - [ -0.0017661900000000, 0.0031543500000000, -0.0022235800000000 ] - [ 0.0005328600000000, -0.0017813000000000, -0.0005653200000000 ] - [ 0.0360424600000000, -0.0205993700000000, 0.0330691900000000 ] - [ -0.0050543100000000, 0.0008329600000000, 0.0002459400000000 ] - [ -0.0002378300000000, 0.0032757300000000, 0.0001149200000000 ] - [ 0.0005804200000000, -0.0014872500000000, 0.0000221900000000 ] - [ 0.0042034300000000, 0.0075808000000000, 0.0103797800000000 ] - [ -0.0021854600000000, -0.0023905800000000, -0.0004346300000000 ] - [ -0.0019236000000000, 0.0087826700000000, 0.0003933400000000 ] - [ -0.0029749400000000, -0.0011236000000000, 0.0000120200000000 ] - [ -0.0055932800000000, -0.0023800200000000, 0.0122085900000000 ] - [ -0.0135724400000000, 0.0101030800000000, 0.0011282000000000 ] - [ -0.0002811500000000, -0.0002333400000000, 0.0002414600000000 ] - [ 0.0009608800000000, -0.0002170800000000, -0.0003569600000000 ] - [ -0.0042380700000000, -0.0048249800000000, -0.0112741100000000 ] - [ 0.0014102600000000, 0.0011778300000000, 0.0013151700000000 ] - [ 0.0002289900000000, 0.0000767800000000, -0.0001878900000000 ] - [ 0.0001269900000000, 0.0016449800000000, 0.0000636000000000 ] - [ 0.0073184600000000, -0.0006345500000000, -0.0062056100000000 ] - [ -0.0047594400000000, -0.0009354400000000, 0.0001018300000000 ] - [ -0.0019353900000000, 0.0023641700000000, -0.0003203000000000 ] - [ 0.0001600500000000, -0.0011962300000000, 0.0003652000000000 ] - [ 0.0011835300000000, 0.0044351000000000, -0.0061440600000000 ] - [ -0.0003666000000000, -0.0009313100000000, -0.0000348500000000 ] - [ 0.0018793000000000, 0.0001160200000000, 0.0001066400000000 ] - [ -0.0015925400000000, -0.0028922300000000, -0.0001713000000000 ] - [ 0.0000046200000000, -0.0025205200000000, -0.0010845900000000 ] - [ -0.0000313000000000, 0.0020864000000000, 0.0001486800000000 ] - [ -0.0015970700000000, -0.0114556400000000, 0.0042628600000000 ] - [ 0.0013306600000000, 0.0004381300000000, -0.0000405300000000 ] - [ 0.0004477000000000, 0.0001555600000000, -0.0000254400000000 ] - [ -0.0041777100000000, -0.0011046000000000, -0.0004567400000000 ] - [ 0.0019320400000000, 0.0019335400000000, -0.0013264400000000 ] - [ 0.0001612100000000, -0.0044385600000000, -0.0000189800000000 ] - [ 0.0045080300000000, -0.0006011300000000, -0.0015312100000000 ] - [ 0.0257424800000000, -0.0114742600000000, 0.0129636600000000 ] - [ 0.0004525500000000, -0.0000022900000000, -0.0000610300000000 ] - [ 0.0003894700000000, -0.0004464800000000, -0.0000069000000000 ] - [ 0.0004411600000000, 0.0009559900000000, 0.0000724800000000 ] - [ -0.0007147100000000, -0.0012655900000000, 0.0005224400000000 ] - [ 0.0014919800000000, 0.0037862200000000, 0.0013452000000000 ] - [ -0.0004269100000000, -0.0000178200000000, -0.0001525800000000 ] - [ 0.0045027400000000, 0.0013072100000000, 0.0015867200000000 ] - [ -0.0037623100000000, -0.0011359100000000, -0.0002276400000000 ] - [ -0.0007045600000000, 0.0001205900000000, 0.0000153600000000 ] - [ -0.0004352500000000, -0.0009032300000000, 0.0000329600000000 ] - [ 0.0016398300000000, -0.0028750800000000, 0.0010430800000000 ] - [ 0.0004882600000000, 0.0001856400000000, -0.0001482000000000 ] - [ -0.0016080500000000, 0.0009096700000000, 0.0006371600000000 ] - [ 0.0017576000000000, -0.0003038600000000, 0.0000174600000000 ] - [ -0.1660272500000000, 0.0324617300000000, -0.1330150500000000 ] - [ 0.0022422200000000, -0.0000375200000000, 0.0006371400000000 ] - [ -0.0003791500000000, -0.0009515200000000, -0.0001894800000000 ] - [ -0.0011401100000000, 0.0006997100000000, -0.0006396600000000 ] - [ -0.0014259700000000, 0.0002162300000000, -0.0023525200000000 ] - [ 0.0018611600000000, -0.0002677200000000, 0.0011254100000000 ] - [ 0.0013220300000000, -0.0043602600000000, 0.0028242100000000 ] - [ 0.0007636100000000, -0.0001646100000000, -0.0000851100000000 ] - [ -0.0017818500000000, -0.0000070400000000, -0.0028105000000000 ] - [ 0.0058295700000000, 0.0017389800000000, 0.0045428900000000 ] - [ 0.0006681900000000, 0.0002294400000000, 0.0003128100000000 ] - [ 0.0003012900000000, 0.0011860700000000, 0.0005351700000000 ] - [ 0.0178836800000000, 0.0153219900000000, -0.0080558800000000 ] - [ 0.0046402700000000, 0.0017465000000000, -0.0033744700000000 ] - [ 0.0007465000000000, 0.0000320700000000, -0.0004884800000000 ] - [ 0.0002490000000000, 0.0018236900000000, -0.0004122800000000 ] - [ 0.0162514700000000, -0.0162472200000000, -0.0057129100000000 ] - [ 0.0025380500000000, -0.0004850500000000, -0.0007718200000000 ] - [ 0.0009016500000000, -0.0039163400000000, -0.0026180000000000 ] - [ 0.0007013200000000, -0.0000511300000000, 0.0000411300000000 ] - [ 0.0239445700000000, 0.0026726600000000, 0.0200771900000000 ] - [ 0.0023124200000000, -0.0003049000000000, -0.0008211200000000 ] - [ 0.0006071600000000, -0.0000176200000000, 0.0001044300000000 ] - [ 0.0006083000000000, -0.0000655300000000, -0.0000621600000000 ] - [ -0.0086909500000000, 0.0102088900000000, 0.0119796600000000 ] - [ 0.0015662600000000, -0.0002770000000000, -0.0011797200000000 ] - [ 0.0005155400000000, -0.0008860500000000, -0.0004710200000000 ] - [ -0.0007639800000000, 0.0020692600000000, 0.0003347900000000 ] - [ -0.0062663400000000, -0.0115045600000000, 0.0117075200000000 ] - [ 0.0009665700000000, 0.0002161700000000, -0.0005375600000000 ] - [ -0.0005266800000000, -0.0011719400000000, -0.0000259200000000 ] - [ 0.0001216300000000, 0.0007147800000000, -0.0002690000000000 ] - [ -0.0015896300000000, 0.0001994100000000, 0.0027207700000000 ] - [ 0.0015551900000000, -0.0001480500000000, 0.0013975700000000 ] - [ 0.0006343400000000, -0.0006793800000000, 0.0008276600000000 ] - [ -0.0008579000000000, 0.0014189600000000, -0.0005978800000000 ] - [ -0.0012390000000000, 0.0002589500000000, 0.0027959400000000 ] - [ 0.0005756000000000, 0.0000515000000000, 0.0006090700000000 ] - [ -0.0005015900000000, -0.0009153400000000, 0.0001511000000000 ] - [ -0.0000975400000000, 0.0004511300000000, 0.0004131200000000 ] - [ -0.0134676800000000, 0.0011317600000000, 0.0143515800000000 ] - [ 0.0017792600000000, -0.0000963000000000, -0.0007509900000000 ] - [ -0.0002418400000000, -0.0010155100000000, 0.0000001500000000 ] - [ -0.0013569700000000, 0.0005378900000000, 0.0006572300000000 ] - [ -0.0019615300000000, -0.0002581500000000, 0.0045423900000000 ] - [ 0.0009077500000000, -0.0000146800000000, 0.0002676700000000 ] - [ 0.0006517800000000, -0.0001076300000000, 0.0000599600000000 ] - [ 0.0006514700000000, -0.0001699900000000, 0.0000419000000000 ]- atom: 65 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0021876100000000, -0.0011847200000000, -0.0000207200000000 ] - [ -0.0009716200000000, 0.0026691600000000, -0.0021471600000000 ] - [ -0.0010469400000000, 0.0015804200000000, -0.0003407200000000 ] - [ 0.0005597300000000, -0.0005641800000000, -0.0003055600000000 ] - [ 0.0007488800000000, -0.0003849100000000, 0.0000647100000000 ] - [ -0.0003947700000000, 0.0011378300000000, 0.0011924000000000 ] - [ -0.0008080000000000, 0.0002841300000000, 0.0004819600000000 ] - [ 0.0005374900000000, -0.0005644000000000, 0.0003165100000000 ] - [ -0.0716935900000000, 0.0003087100000000, -0.0340150700000000 ] - [ 0.0072840700000000, 0.0015049200000000, -0.0032618900000000 ] - [ 0.0014788300000000, -0.0034559600000000, -0.0020894300000000 ] - [ -0.0002927500000000, 0.0028013700000000, -0.0005980200000000 ] - [ -0.0132311200000000, 0.0000769200000000, 0.0072484300000000 ] - [ 0.0054959400000000, 0.0022813600000000, 0.0041739700000000 ] - [ 0.0017513500000000, -0.0031234000000000, 0.0021965600000000 ] - [ -0.0005400800000000, 0.0017694200000000, 0.0005579500000000 ] - [ -0.0359400900000000, 0.0217224700000000, -0.0342557700000000 ] - [ 0.0050351500000000, -0.0002288200000000, -0.0002403000000000 ] - [ 0.0002374200000000, -0.0026517000000000, -0.0001125900000000 ] - [ -0.0005810400000000, 0.0020989800000000, -0.0000202900000000 ] - [ -0.0046050900000000, -0.0078977100000000, -0.0103075900000000 ] - [ 0.0016727000000000, 0.0020712400000000, 0.0004380100000000 ] - [ 0.0013286300000000, -0.0090102800000000, -0.0003737900000000 ] - [ 0.0024465000000000, 0.0007850100000000, -0.0000103100000000 ] - [ 0.0061125100000000, 0.0021047900000000, -0.0120842000000000 ] - [ 0.0140847100000000, -0.0103883200000000, -0.0011251000000000 ] - [ 0.0008343400000000, -0.0000342700000000, -0.0002380100000000 ] - [ -0.0004345900000000, -0.0000818900000000, 0.0003587800000000 ] - [ 0.0042481200000000, 0.0053997400000000, 0.0111764700000000 ] - [ -0.0013903000000000, -0.0005744100000000, -0.0013204500000000 ] - [ -0.0002013100000000, 0.0005354400000000, 0.0001849400000000 ] - [ -0.0001077900000000, -0.0010400500000000, -0.0000651700000000 ] - [ -0.0078512600000000, 0.0003351400000000, 0.0061802000000000 ] - [ 0.0042063400000000, 0.0006233900000000, -0.0001044700000000 ] - [ 0.0013939300000000, -0.0026528300000000, 0.0003158200000000 ] - [ -0.0006939500000000, 0.0008990300000000, -0.0003666700000000 ] - [ -0.0006687300000000, -0.0047432000000000, 0.0060885000000000 ] - [ 0.0008781700000000, 0.0006004200000000, 0.0000319800000000 ] - [ -0.0013626800000000, -0.0004637100000000, -0.0001091800000000 ] - [ 0.0020998700000000, 0.0025361500000000, 0.0001676800000000 ] - [ -0.0002628300000000, 0.0037682600000000, 0.0010737100000000 ] - [ -0.0002227100000000, -0.0008340100000000, -0.0001496700000000 ] - [ 0.0014489800000000, 0.0125626100000000, -0.0042152600000000 ] - [ -0.0015820600000000, 0.0008356100000000, 0.0000398900000000 ] - [ -0.0014461400000000, -0.0010550000000000, 0.0000241500000000 ] - [ 0.0031495300000000, 0.0002351200000000, 0.0004647500000000 ] - [ -0.0029091000000000, -0.0027951100000000, 0.0013115900000000 ] - [ -0.0011241900000000, 0.0035574300000000, 0.0000179700000000 ] - [ -0.0032688400000000, 0.0001792000000000, 0.0015164500000000 ] - [ -0.0247671600000000, 0.0111089200000000, -0.0131580400000000 ] - [ 0.0007679400000000, -0.0004138400000000, 0.0000597800000000 ] - [ 0.0008157800000000, 0.0000447500000000, 0.0000058300000000 ] - [ -0.0001718800000000, 0.0003411900000000, -0.0000714100000000 ] - [ 0.0009823100000000, 0.0025551400000000, -0.0005167500000000 ] - [ -0.0012141500000000, -0.0024609300000000, -0.0013316300000000 ] - [ 0.0007040500000000, 0.0013208600000000, 0.0001535600000000 ] - [ -0.0056944900000000, -0.0017074800000000, -0.0015703800000000 ] - [ 0.0025415700000000, 0.0007285700000000, 0.0002323300000000 ] - [ -0.0005137300000000, -0.0005280800000000, -0.0000147600000000 ] - [ -0.0007795200000000, 0.0004921400000000, -0.0000322900000000 ] - [ -0.0006587500000000, 0.0020005400000000, -0.0010345300000000 ] - [ 0.0004912500000000, -0.0010458600000000, 0.0001494400000000 ] - [ 0.0025799800000000, -0.0017582800000000, -0.0006314900000000 ] - [ -0.0007826600000000, -0.0005433900000000, -0.0000167400000000 ] - [ 0.1599629200000000, -0.0328763000000000, 0.1299312300000000 ] - [ -0.0039533500000000, 0.0000605600000000, -0.0012420800000000 ] - [ -0.0013451500000000, 0.0009681000000000, -0.0004180300000000 ] - [ -0.0005828700000000, -0.0006708800000000, 0.0000276400000000 ] - [ 0.0022383200000000, -0.0016942900000000, 0.0029348500000000 ] - [ -0.0010192200000000, -0.0012286700000000, -0.0005228100000000 ] - [ -0.0004646000000000, 0.0028146200000000, -0.0021896400000000 ] - [ 0.0000780600000000, -0.0013277500000000, 0.0006870400000000 ] - [ 0.0026217000000000, 0.0014723600000000, 0.0033813200000000 ] - [ -0.0049532700000000, -0.0002445100000000, -0.0039364500000000 ] - [ 0.0002107100000000, 0.0012457000000000, 0.0002974700000000 ] - [ 0.0005896100000000, 0.0003025600000000, 0.0000914200000000 ] - [ -0.0167672500000000, -0.0135668400000000, 0.0073152200000000 ] - [ -0.0037547100000000, -0.0002546300000000, 0.0027584500000000 ] - [ 0.0001331500000000, 0.0014418900000000, -0.0001243300000000 ] - [ 0.0006423400000000, -0.0003341000000000, -0.0002164500000000 ] - [ -0.0151754100000000, 0.0145004200000000, 0.0050264100000000 ] - [ -0.0016976100000000, -0.0010129700000000, 0.0001669400000000 ] - [ -0.0000492000000000, 0.0023812400000000, 0.0019869900000000 ] - [ 0.0001417900000000, -0.0014441500000000, -0.0006449800000000 ] - [ -0.0218749000000000, -0.0026491200000000, -0.0192504900000000 ] - [ -0.0005899400000000, 0.0003319500000000, 0.0014389900000000 ] - [ 0.0011059300000000, 0.0000360000000000, 0.0004953500000000 ] - [ 0.0011119400000000, 0.0000884600000000, 0.0006660300000000 ] - [ 0.0076772000000000, -0.0086782800000000, -0.0113746400000000 ] - [ -0.0024445800000000, 0.0017626100000000, 0.0017876800000000 ] - [ -0.0013943300000000, 0.0023563400000000, 0.0010791200000000 ] - [ -0.0001187500000000, -0.0005940100000000, 0.0002742700000000 ] - [ 0.0053177000000000, 0.0099179100000000, -0.0110341800000000 ] - [ -0.0018109000000000, -0.0017188500000000, 0.0011432100000000 ] - [ -0.0003164100000000, -0.0003319400000000, 0.0006344900000000 ] - [ -0.0009604900000000, -0.0022032600000000, 0.0008705300000000 ] - [ 0.0006949300000000, 0.0012754700000000, -0.0033110100000000 ] - [ -0.0024313300000000, 0.0016300800000000, -0.0020021200000000 ] - [ -0.0015112400000000, 0.0021499600000000, -0.0014306000000000 ] - [ -0.0000246500000000, 0.0000600300000000, -0.0000100200000000 ] - [ 0.0003890200000000, -0.0017315100000000, -0.0033568700000000 ] - [ -0.0014200200000000, -0.0015531600000000, -0.0012129400000000 ] - [ -0.0003398300000000, -0.0005863400000000, -0.0007569900000000 ] - [ -0.0007412500000000, -0.0019391900000000, -0.0010119000000000 ] - [ 0.0116908100000000, -0.0010946200000000, -0.0135493300000000 ] - [ -0.0034928300000000, 0.0001173400000000, 0.0013533000000000 ] - [ -0.0014825800000000, 0.0010300400000000, 0.0006048500000000 ] - [ -0.0003681900000000, -0.0005103400000000, -0.0000468400000000 ] - [ 0.0036394800000000, 0.0002771200000000, -0.0050950200000000 ] - [ 0.0008198200000000, 0.0000392000000000, -0.0008815900000000 ] - [ 0.0010618500000000, 0.0001239400000000, -0.0006574400000000 ] - [ 0.0010678100000000, 0.0001921400000000, -0.0006449500000000 ]- atom: 65 displacement: [ -0.0050000000003079, 0.0086602540376666, 0.0000000000000000 ] forces: - [ 0.0017291400000000, -0.0007161900000000, 0.0001139500000000 ] - [ -0.0014951600000000, 0.0018822300000000, -0.0007773700000000 ] - [ -0.0010812600000000, 0.0000188800000000, -0.0006414800000000 ] - [ 0.0005273000000000, -0.0004917300000000, -0.0002244200000000 ] - [ 0.0006160800000000, -0.0002128700000000, 0.0000119700000000 ] - [ -0.0004987700000000, 0.0009209000000000, 0.0004342200000000 ] - [ -0.0008971400000000, -0.0001158300000000, 0.0006534200000000 ] - [ 0.0005019500000000, -0.0004906300000000, 0.0002326100000000 ] - [ -0.0313156600000000, 0.0161177100000000, -0.0125279600000000 ] - [ 0.0037582400000000, 0.0020029600000000, -0.0022918400000000 ] - [ 0.0023490200000000, -0.0043029800000000, -0.0021510800000000 ] - [ -0.0011069700000000, -0.0006572800000000, 0.0000159300000000 ] - [ -0.0081863800000000, 0.0043142300000000, 0.0043118900000000 ] - [ 0.0033569200000000, 0.0020347300000000, 0.0029080100000000 ] - [ 0.0025701600000000, -0.0041465600000000, 0.0024232500000000 ] - [ -0.0010972900000000, -0.0003699000000000, 0.0000381800000000 ] - [ -0.0452446200000000, 0.0615851500000000, -0.0809982000000000 ] - [ 0.0023848100000000, 0.0000812300000000, -0.0002851800000000 ] - [ 0.0014949300000000, -0.0031060200000000, -0.0001192000000000 ] - [ -0.0010702700000000, 0.0008369400000000, -0.0000947600000000 ] - [ 0.0015370700000000, -0.0063868700000000, -0.0100645600000000 ] - [ 0.0003252200000000, 0.0013872300000000, -0.0001857200000000 ] - [ 0.0061380200000000, -0.0116650000000000, -0.0011294400000000 ] - [ 0.0004014300000000, -0.0005272800000000, -0.0000837700000000 ] - [ 0.0012286800000000, 0.0015917700000000, -0.0029157400000000 ] - [ 0.0103875000000000, -0.0056385300000000, -0.0007671500000000 ] - [ 0.0003993200000000, -0.0006326600000000, -0.0002199300000000 ] - [ -0.0014738000000000, -0.0034039800000000, -0.0001992800000000 ] - [ 0.0025434500000000, 0.0042047300000000, 0.0062830300000000 ] - [ -0.0006465000000000, 0.0004082300000000, -0.0003875900000000 ] - [ -0.0005893700000000, -0.0000008400000000, 0.0001185100000000 ] - [ 0.0002298400000000, -0.0012591900000000, 0.0001044000000000 ] - [ -0.0029133400000000, 0.0008649400000000, 0.0014804400000000 ] - [ 0.0023842300000000, 0.0002340900000000, 0.0000450600000000 ] - [ 0.0016576000000000, -0.0023969300000000, 0.0002899400000000 ] - [ -0.0011939100000000, 0.0001790300000000, 0.0001597300000000 ] - [ 0.0000874100000000, -0.0040782300000000, 0.0058456600000000 ] - [ 0.0001981000000000, 0.0003483100000000, 0.0001884100000000 ] - [ -0.0001762000000000, -0.0003530600000000, -0.0000912100000000 ] - [ 0.0011354000000000, 0.0008774600000000, 0.0001086100000000 ] - [ -0.0011030100000000, 0.0036673100000000, 0.0008700300000000 ] - [ 0.0002226000000000, 0.0000061400000000, 0.0000600100000000 ] - [ -0.0044785900000000, 0.0194583400000000, -0.0089120600000000 ] - [ -0.0008397400000000, 0.0008563000000000, 0.0000426400000000 ] - [ -0.0008229800000000, -0.0006072900000000, 0.0000744400000000 ] - [ 0.0005589600000000, 0.0038691700000000, 0.0024033200000000 ] - [ -0.0009445600000000, -0.0009694400000000, 0.0003038900000000 ] - [ -0.0027084900000000, 0.0016485600000000, 0.0000255800000000 ] - [ -0.0006405000000000, -0.0006774200000000, 0.0005022900000000 ] - [ -0.0157546300000000, 0.0032957400000000, -0.0081018000000000 ] - [ 0.0010743300000000, -0.0000505900000000, 0.0000438500000000 ] - [ -0.0000330600000000, 0.0010831500000000, 0.0000081800000000 ] - [ 0.0000911000000000, 0.0007240100000000, -0.0000694700000000 ] - [ 0.0005613800000000, 0.0024264600000000, -0.0006528400000000 ] - [ -0.0003958900000000, -0.0011058400000000, -0.0006442100000000 ] - [ 0.0002973600000000, 0.0007311400000000, 0.0000730000000000 ] - [ -0.0036432900000000, -0.0011977100000000, -0.0008872300000000 ] - [ 0.0007828800000000, -0.0003209400000000, 0.0000817600000000 ] - [ -0.0000742900000000, -0.0001703000000000, -0.0000345600000000 ] - [ -0.0010913300000000, 0.0004136500000000, -0.0000456900000000 ] - [ -0.0010626500000000, 0.0018583000000000, -0.0009735100000000 ] - [ 0.0008753300000000, -0.0008333800000000, -0.0000648600000000 ] - [ 0.0013622400000000, -0.0011458800000000, -0.0001411500000000 ] - [ -0.0002425400000000, -0.0003611500000000, -0.0000250500000000 ] - [ 0.1089958100000000, -0.0911406600000000, 0.1369576600000000 ] - [ -0.0024591800000000, -0.0001562100000000, -0.0006532200000000 ] - [ -0.0019328700000000, 0.0010872200000000, -0.0007659800000000 ] - [ -0.0001243000000000, -0.0000693500000000, 0.0000994900000000 ] - [ 0.0014471100000000, -0.0026876200000000, 0.0032726600000000 ] - [ -0.0003487600000000, -0.0013742900000000, -0.0000155700000000 ] - [ -0.0013623400000000, 0.0044622400000000, -0.0031549500000000 ] - [ 0.0003116800000000, -0.0005466800000000, 0.0002719700000000 ] - [ 0.0016015500000000, -0.0000458900000000, 0.0006540900000000 ] - [ -0.0031820200000000, -0.0002484500000000, -0.0025904500000000 ] - [ 0.0003160400000000, 0.0015829200000000, 0.0004699000000000 ] - [ 0.0013512500000000, 0.0015197500000000, 0.0010295700000000 ] - [ 0.0010969800000000, -0.0059884500000000, 0.0035236000000000 ] - [ -0.0025166600000000, -0.0004369900000000, 0.0020086300000000 ] - [ 0.0002392800000000, 0.0017056800000000, -0.0003109600000000 ] - [ 0.0012617800000000, 0.0017461300000000, -0.0007722400000000 ] - [ -0.0174830000000000, 0.0088077100000000, 0.0018836200000000 ] - [ -0.0002071800000000, -0.0013523000000000, 0.0000619600000000 ] - [ -0.0008330100000000, 0.0033840400000000, 0.0024822700000000 ] - [ 0.0003105000000000, -0.0004572900000000, -0.0001791000000000 ] - [ -0.0129019200000000, -0.0003043000000000, -0.0113590200000000 ] - [ 0.0004069300000000, -0.0003009700000000, 0.0007924400000000 ] - [ 0.0010508100000000, 0.0003165300000000, 0.0005975400000000 ] - [ 0.0010045600000000, 0.0003421900000000, 0.0004585900000000 ] - [ 0.0061242300000000, -0.0049443200000000, 0.0005182200000000 ] - [ -0.0015344300000000, 0.0012128100000000, 0.0011351400000000 ] - [ -0.0015410600000000, 0.0024194800000000, 0.0011824300000000 ] - [ 0.0000077500000000, 0.0006248400000000, 0.0000632500000000 ] - [ -0.0003894000000000, 0.0065901800000000, -0.0128478400000000 ] - [ -0.0012224400000000, -0.0014307300000000, 0.0008018100000000 ] - [ -0.0005626500000000, -0.0003032600000000, 0.0005992300000000 ] - [ -0.0003710900000000, -0.0009389500000000, 0.0003777800000000 ] - [ 0.0005608200000000, 0.0000133700000000, -0.0006790500000000 ] - [ -0.0016685900000000, 0.0012678400000000, -0.0013987800000000 ] - [ -0.0016762500000000, 0.0023289000000000, -0.0015671100000000 ] - [ -0.0000475100000000, 0.0004822500000000, -0.0001861800000000 ] - [ -0.0001275900000000, -0.0023739800000000, -0.0036386100000000 ] - [ -0.0010307400000000, -0.0014053500000000, -0.0010132400000000 ] - [ -0.0005987900000000, -0.0005235500000000, -0.0007134800000000 ] - [ -0.0003494100000000, -0.0010119600000000, -0.0005189100000000 ] - [ 0.0063943700000000, -0.0047292400000000, -0.0068514300000000 ] - [ -0.0022762800000000, -0.0000319200000000, 0.0008274600000000 ] - [ -0.0020559200000000, 0.0011466300000000, 0.0009439900000000 ] - [ -0.0001567900000000, -0.0000483700000000, -0.0000200700000000 ] - [ 0.0024938400000000, -0.0002973200000000, -0.0032163500000000 ] - [ 0.0008598200000000, -0.0001326000000000, -0.0007759100000000 ] - [ 0.0011192000000000, 0.0003352400000000, -0.0007424500000000 ] - [ 0.0010600600000000, 0.0003685000000000, -0.0005903100000000 ]- atom: 65 displacement: [ 0.0050000000003079, -0.0086602540376666, 0.0000000000000000 ] forces: - [ -0.0017312000000000, 0.0007134500000000, -0.0001163300000000 ] - [ 0.0014767400000000, -0.0018842000000000, 0.0007805100000000 ] - [ 0.0010710000000000, -0.0000116300000000, 0.0006351500000000 ] - [ -0.0005260800000000, 0.0004924300000000, 0.0002224000000000 ] - [ -0.0006162700000000, 0.0002109800000000, -0.0000116900000000 ] - [ 0.0004920900000000, -0.0009205200000000, -0.0004323400000000 ] - [ 0.0008890100000000, 0.0001190400000000, -0.0006479100000000 ] - [ -0.0005012600000000, 0.0004919000000000, -0.0002305800000000 ] - [ 0.0319118800000000, -0.0155932500000000, 0.0131018300000000 ] - [ -0.0037494500000000, -0.0019921700000000, 0.0022819800000000 ] - [ -0.0023438000000000, 0.0042882600000000, 0.0021396000000000 ] - [ 0.0011067100000000, 0.0006656300000000, -0.0000171400000000 ] - [ 0.0082157300000000, -0.0043441800000000, -0.0043181000000000 ] - [ -0.0033523400000000, -0.0020277000000000, -0.0028988800000000 ] - [ -0.0025659900000000, 0.0041311500000000, -0.0024114300000000 ] - [ 0.0010960700000000, 0.0003783900000000, -0.0000368100000000 ] - [ 0.0444398100000000, -0.0602823700000000, 0.0776576800000000 ] - [ -0.0023695600000000, 0.0005199900000000, 0.0002866800000000 ] - [ -0.0014946500000000, 0.0037079200000000, 0.0001199100000000 ] - [ 0.0010645000000000, -0.0002305400000000, 0.0000941800000000 ] - [ -0.0020267800000000, 0.0060593900000000, 0.0100929400000000 ] - [ -0.0008216800000000, -0.0016932000000000, 0.0001858500000000 ] - [ -0.0065971400000000, 0.0112954100000000, 0.0011336800000000 ] - [ -0.0009009700000000, 0.0002141300000000, 0.0000836200000000 ] - [ -0.0006624500000000, -0.0018595500000000, 0.0028753900000000 ] - [ -0.0098082700000000, 0.0053607300000000, 0.0007790600000000 ] - [ 0.0001338000000000, 0.0003548100000000, 0.0002209100000000 ] - [ 0.0020267500000000, 0.0031243700000000, 0.0001960900000000 ] - [ -0.0025114700000000, -0.0036075900000000, -0.0062537300000000 ] - [ 0.0006490600000000, 0.0001864300000000, 0.0003830700000000 ] - [ 0.0006019500000000, 0.0005886600000000, -0.0001188900000000 ] - [ -0.0002054100000000, 0.0018579900000000, -0.0001044700000000 ] - [ 0.0023330100000000, -0.0011546300000000, -0.0014337900000000 ] - [ -0.0028917400000000, -0.0005341600000000, -0.0000472100000000 ] - [ -0.0021779400000000, 0.0020927800000000, -0.0002916000000000 ] - [ 0.0006664200000000, -0.0004804500000000, -0.0001597000000000 ] - [ 0.0004246100000000, 0.0037422000000000, -0.0058436400000000 ] - [ 0.0003084300000000, -0.0006783600000000, -0.0001889800000000 ] - [ 0.0006702100000000, 0.0000321100000000, 0.0000882600000000 ] - [ -0.0006181900000000, -0.0011947200000000, -0.0001077700000000 ] - [ 0.0008471500000000, -0.0023778100000000, -0.0008734200000000 ] - [ -0.0004771200000000, 0.0012774200000000, -0.0000599300000000 ] - [ 0.0042297900000000, -0.0179019000000000, 0.0087294900000000 ] - [ 0.0005912300000000, 0.0003936400000000, -0.0000427300000000 ] - [ -0.0001671100000000, -0.0002790600000000, -0.0000750500000000 ] - [ -0.0015480100000000, -0.0047793000000000, -0.0024239200000000 ] - [ -0.0000668100000000, 0.0000821800000000, -0.0002996600000000 ] - [ 0.0017006200000000, -0.0025218600000000, -0.0000277100000000 ] - [ 0.0018674300000000, 0.0002538800000000, -0.0004997600000000 ] - [ 0.0168012300000000, -0.0037733300000000, 0.0079858700000000 ] - [ 0.0001337700000000, -0.0003700900000000, -0.0000444100000000 ] - [ 0.0012415100000000, -0.0015113200000000, -0.0000078700000000 ] - [ 0.0001765000000000, 0.0005894300000000, 0.0000697900000000 ] - [ -0.0003018400000000, -0.0011267700000000, 0.0006532800000000 ] - [ 0.0006553300000000, 0.0024037200000000, 0.0006395400000000 ] - [ -0.0000373200000000, 0.0005690700000000, -0.0000717300000000 ] - [ 0.0023943500000000, 0.0007652800000000, 0.0008834800000000 ] - [ -0.0019632400000000, -0.0000842100000000, -0.0000836800000000 ] - [ -0.0011435000000000, -0.0002504100000000, 0.0000347400000000 ] - [ -0.0001250800000000, -0.0008240200000000, 0.0000457200000000 ] - [ 0.0020542400000000, -0.0027163600000000, 0.0009755000000000 ] - [ 0.0001021300000000, -0.0000107500000000, 0.0000651700000000 ] - [ -0.0003474700000000, 0.0002648200000000, 0.0001395300000000 ] - [ 0.0012073800000000, -0.0004705700000000, 0.0000252000000000 ] - [ -0.1105628200000000, 0.0900812600000000, -0.1345089700000000 ] - [ 0.0007266100000000, 0.0001793200000000, 0.0000298100000000 ] - [ 0.0002069500000000, -0.0010700200000000, 0.0001630900000000 ] - [ -0.0015942200000000, 0.0000843400000000, -0.0007013600000000 ] - [ -0.0006145500000000, 0.0011995900000000, -0.0026660100000000 ] - [ 0.0011863600000000, -0.0001342900000000, 0.0006357600000000 ] - [ 0.0021958700000000, -0.0059347100000000, 0.0037481600000000 ] - [ 0.0005274800000000, -0.0009456600000000, 0.0003300600000000 ] - [ -0.0007320700000000, 0.0015225100000000, -0.0000443000000000 ] - [ 0.0040402700000000, 0.0017311000000000, 0.0031854200000000 ] - [ 0.0005616200000000, -0.0000993500000000, 0.0001477300000000 ] - [ -0.0004832600000000, -0.0000427400000000, -0.0004253000000000 ] - [ -0.0003088900000000, 0.0074373900000000, -0.0041242500000000 ] - [ 0.0033746900000000, 0.0019159300000000, -0.0026070000000000 ] - [ 0.0006385500000000, -0.0002225600000000, -0.0003078200000000 ] - [ -0.0003932200000000, -0.0002687800000000, 0.0001681600000000 ] - [ 0.0185834600000000, -0.0103905000000000, -0.0024905800000000 ] - [ 0.0010463100000000, -0.0001577100000000, -0.0006829300000000 ] - [ 0.0016682200000000, -0.0048654400000000, -0.0030834800000000 ] - [ 0.0005299400000000, -0.0010362500000000, -0.0004221400000000 ] - [ 0.0146140400000000, 0.0002506800000000, 0.0119397600000000 ] - [ 0.0013117500000000, 0.0003156400000000, -0.0001825400000000 ] - [ 0.0006701500000000, -0.0002972500000000, 0.0000109600000000 ] - [ 0.0007097300000000, -0.0003220700000000, 0.0001491500000000 ] - [ -0.0070121200000000, 0.0063597000000000, 0.0000038500000000 ] - [ 0.0006599300000000, 0.0002713900000000, -0.0005309200000000 ] - [ 0.0006561000000000, -0.0009335400000000, -0.0005603300000000 ] - [ -0.0008795700000000, 0.0008507400000000, 0.0005395200000000 ] - [ -0.0004524200000000, -0.0081072200000000, 0.0135457900000000 ] - [ 0.0003733700000000, -0.0000718800000000, -0.0001877500000000 ] - [ -0.0002845400000000, -0.0011854800000000, 0.0000041500000000 ] - [ -0.0004740100000000, -0.0005623200000000, 0.0002363400000000 ] - [ -0.0014526700000000, 0.0014778300000000, 0.0000344600000000 ] - [ 0.0007950700000000, 0.0002128400000000, 0.0007965600000000 ] - [ 0.0007909900000000, -0.0008395300000000, 0.0009459400000000 ] - [ -0.0008243900000000, 0.0009916500000000, -0.0004167000000000 ] - [ -0.0007187900000000, 0.0008992700000000, 0.0030588000000000 ] - [ 0.0001808300000000, -0.0000977000000000, 0.0003999600000000 ] - [ -0.0002459500000000, -0.0009649600000000, 0.0001110800000000 ] - [ -0.0004950100000000, -0.0004897300000000, -0.0000964100000000 ] - [ -0.0081101200000000, 0.0047271600000000, 0.0074708200000000 ] - [ 0.0005446500000000, 0.0000545000000000, -0.0002055600000000 ] - [ 0.0003318100000000, -0.0011288400000000, -0.0003426000000000 ] - [ -0.0015628400000000, 0.0000633100000000, 0.0006226300000000 ] - [ -0.0007734700000000, 0.0003200600000000, 0.0026010700000000 ] - [ 0.0008623600000000, 0.0001472700000000, 0.0001671000000000 ] - [ 0.0006020100000000, -0.0003165000000000, 0.0001338300000000 ] - [ 0.0006555400000000, -0.0003490700000000, -0.0000182300000000 ]- atom: 65 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0011443900000000, 0.0008125100000000, 0.0003686600000000 ] - [ 0.0009293300000000, -0.0003621800000000, 0.0023761200000000 ] - [ 0.0003481400000000, -0.0012423400000000, 0.0009214800000000 ] - [ -0.0003296500000000, 0.0002418600000000, 0.0003514900000000 ] - [ -0.0001330000000000, 0.0001247900000000, -0.0002692400000000 ] - [ -0.0007101600000000, -0.0014056000000000, -0.0013082100000000 ] - [ 0.0006327600000000, 0.0002447900000000, -0.0007385800000000 ] - [ -0.0003536200000000, 0.0002894700000000, -0.0003599100000000 ] - [ 0.0326451000000000, 0.0006908200000000, 0.0383949400000000 ] - [ -0.0019113600000000, -0.0015853000000000, 0.0032465500000000 ] - [ -0.0011939600000000, 0.0023425100000000, 0.0027128200000000 ] - [ 0.0000152200000000, -0.0005523000000000, 0.0012436000000000 ] - [ 0.0226272900000000, 0.0007878100000000, -0.0202139100000000 ] - [ -0.0028205200000000, -0.0015808100000000, -0.0035091000000000 ] - [ -0.0016799800000000, 0.0027285600000000, -0.0030518500000000 ] - [ 0.0001993500000000, -0.0010935700000000, -0.0012932000000000 ] - [ 0.0492302400000000, -0.0631017400000000, 0.1334971100000000 ] - [ -0.0016605800000000, 0.0003533300000000, 0.0004223200000000 ] - [ -0.0000021100000000, 0.0013707400000000, 0.0001888300000000 ] - [ 0.0005778100000000, -0.0003610900000000, 0.0002645400000000 ] - [ 0.0045615600000000, 0.0000304200000000, 0.0066271000000000 ] - [ -0.0010345400000000, -0.0011683000000000, 0.0004799900000000 ] - [ -0.0049122000000000, 0.0089571800000000, 0.0016038700000000 ] - [ -0.0009470700000000, -0.0001113700000000, 0.0001740500000000 ] - [ 0.0003302900000000, -0.0004229500000000, 0.0061206800000000 ] - [ -0.0089809100000000, 0.0054621600000000, 0.0015091800000000 ] - [ 0.0002493100000000, 0.0001230100000000, 0.0002698200000000 ] - [ -0.0008190400000000, -0.0014458400000000, 0.0005959200000000 ] - [ -0.0032769000000000, -0.0033227700000000, -0.0103679900000000 ] - [ 0.0028407900000000, 0.0004303800000000, -0.0009961300000000 ] - [ 0.0004196500000000, 0.0003081500000000, -0.0002655500000000 ] - [ -0.0000065800000000, 0.0020212200000000, -0.0001718300000000 ] - [ 0.0059023300000000, -0.0019734700000000, -0.0140167400000000 ] - [ -0.0029055200000000, -0.0007514600000000, -0.0001647600000000 ] - [ -0.0020029000000000, 0.0020985500000000, -0.0002121600000000 ] - [ 0.0001845800000000, -0.0003473300000000, -0.0003903200000000 ] - [ 0.0004976700000000, 0.0046148400000000, -0.0106418100000000 ] - [ 0.0003054900000000, -0.0004384800000000, -0.0003509800000000 ] - [ 0.0019772200000000, -0.0013672400000000, -0.0002869500000000 ] - [ -0.0009588200000000, -0.0022140800000000, -0.0002392000000000 ] - [ -0.0003246000000000, -0.0004670100000000, -0.0007344100000000 ] - [ -0.0001773100000000, 0.0012149000000000, -0.0001490000000000 ] - [ 0.0042106600000000, -0.0159965500000000, 0.0020959700000000 ] - [ 0.0003967100000000, 0.0005321600000000, -0.0000825100000000 ] - [ -0.0002246000000000, -0.0003189200000000, -0.0001097800000000 ] - [ -0.0020726200000000, 0.0018705700000000, -0.0006660000000000 ] - [ 0.0000244400000000, 0.0000450600000000, -0.0006862500000000 ] - [ 0.0012096500000000, -0.0026623800000000, -0.0002531300000000 ] - [ 0.0016651300000000, -0.0001871800000000, -0.0009356000000000 ] - [ 0.0185979600000000, -0.0067177700000000, 0.0027836800000000 ] - [ 0.0003321300000000, -0.0002551000000000, -0.0000943200000000 ] - [ 0.0005777100000000, 0.0001406400000000, -0.0000995200000000 ] - [ 0.0001612400000000, 0.0006278300000000, 0.0000946600000000 ] - [ -0.0004393100000000, -0.0014984400000000, 0.0011987600000000 ] - [ 0.0013853700000000, 0.0029245600000000, 0.0013740300000000 ] - [ -0.0005122600000000, 0.0008520200000000, 0.0001470000000000 ] - [ 0.0028452600000000, 0.0008033500000000, 0.0014275300000000 ] - [ -0.0034042300000000, -0.0004314700000000, 0.0022116500000000 ] - [ -0.0008840300000000, -0.0001389300000000, 0.0000989100000000 ] - [ -0.0003020300000000, -0.0008437200000000, 0.0000534300000000 ] - [ 0.0024324200000000, -0.0031027700000000, 0.0016564600000000 ] - [ 0.0002492500000000, -0.0002047000000000, 0.0001581000000000 ] - [ -0.0015311800000000, 0.0015077100000000, 0.0013500900000000 ] - [ 0.0012786100000000, -0.0002169000000000, 0.0000519000000000 ] - [ -0.1315479700000000, 0.0784596300000000, -0.2368744100000000 ] - [ 0.0000783600000000, 0.0001639100000000, -0.0003676000000000 ] - [ -0.0007526000000000, -0.0004565700000000, -0.0005952300000000 ] - [ -0.0011924200000000, 0.0002765800000000, -0.0007563400000000 ] - [ -0.0023094500000000, 0.0012350400000000, -0.0011110500000000 ] - [ 0.0013597100000000, -0.0004578800000000, 0.0006975700000000 ] - [ 0.0017709600000000, -0.0048659500000000, 0.0031119900000000 ] - [ 0.0005927000000000, -0.0006655100000000, 0.0003468000000000 ] - [ -0.0025290700000000, -0.0005805100000000, -0.0011047100000000 ] - [ 0.0038872800000000, 0.0016491100000000, 0.0031144700000000 ] - [ 0.0004645600000000, 0.0002826500000000, 0.0003288600000000 ] - [ 0.0007727400000000, 0.0015067500000000, 0.0006952500000000 ] - [ 0.0025519800000000, 0.0056640800000000, -0.0111324000000000 ] - [ 0.0032179600000000, 0.0017971000000000, -0.0029998300000000 ] - [ 0.0005564400000000, 0.0002797300000000, -0.0005416500000000 ] - [ 0.0008181900000000, 0.0010716900000000, -0.0010613700000000 ] - [ 0.0042194100000000, -0.0073539800000000, -0.0111395300000000 ] - [ 0.0009805400000000, -0.0005354500000000, -0.0010637500000000 ] - [ 0.0011765800000000, -0.0038524500000000, -0.0029972800000000 ] - [ 0.0006080900000000, -0.0008583200000000, -0.0005587500000000 ] - [ 0.0205374900000000, 0.0020996800000000, 0.0198156600000000 ] - [ -0.0002678700000000, 0.0000930800000000, -0.0003084900000000 ] - [ 0.0005033400000000, 0.0000434200000000, -0.0000270800000000 ] - [ 0.0006614300000000, -0.0002209900000000, -0.0000406100000000 ] - [ -0.0001678100000000, 0.0144532100000000, 0.0205732500000000 ] - [ 0.0004377600000000, 0.0003448200000000, -0.0005383700000000 ] - [ 0.0003974700000000, -0.0004883100000000, -0.0005355100000000 ] - [ -0.0006759600000000, 0.0006324400000000, 0.0003810100000000 ] - [ 0.0014307400000000, -0.0150250400000000, 0.0185756300000000 ] - [ 0.0000711400000000, -0.0003774300000000, -0.0001103100000000 ] - [ -0.0003877100000000, -0.0003863800000000, -0.0003432400000000 ] - [ -0.0000797500000000, 0.0000225900000000, -0.0001082700000000 ] - [ -0.0000942600000000, -0.0025334300000000, 0.0076651200000000 ] - [ 0.0008226100000000, 0.0001584700000000, 0.0010013900000000 ] - [ 0.0006632300000000, -0.0005854800000000, 0.0009986700000000 ] - [ -0.0005528900000000, 0.0010059200000000, -0.0000703500000000 ] - [ -0.0006920200000000, 0.0029467900000000, 0.0069699200000000 ] - [ 0.0000733800000000, -0.0002140600000000, 0.0004599800000000 ] - [ -0.0003780500000000, -0.0002480000000000, 0.0006679000000000 ] - [ -0.0002203100000000, 0.0001855900000000, 0.0004576200000000 ] - [ -0.0147628300000000, 0.0002093500000000, 0.0358439600000000 ] - [ 0.0001899600000000, 0.0000266300000000, -0.0000324700000000 ] - [ -0.0005639100000000, -0.0005543300000000, 0.0003686400000000 ] - [ -0.0012111400000000, 0.0001748400000000, 0.0005368600000000 ] - [ -0.0039474600000000, -0.0005618200000000, 0.0068256900000000 ] - [ 0.0002828100000000, -0.0002084900000000, 0.0009811200000000 ] - [ 0.0005237600000000, -0.0001204500000000, 0.0002878100000000 ] - [ 0.0004981900000000, -0.0002941200000000, 0.0003011600000000 ]- atom: 65 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0011461400000000, -0.0008127200000000, -0.0003638700000000 ] - [ -0.0009665400000000, 0.0003266700000000, -0.0023625600000000 ] - [ -0.0003509700000000, 0.0012482600000000, -0.0009153000000000 ] - [ 0.0003273000000000, -0.0002396000000000, -0.0003509800000000 ] - [ 0.0001275500000000, -0.0001221700000000, 0.0002663100000000 ] - [ 0.0007156200000000, 0.0014126400000000, 0.0013084800000000 ] - [ -0.0006354700000000, -0.0002472200000000, 0.0007359300000000 ] - [ 0.0003514900000000, -0.0002871200000000, 0.0003591000000000 ] - [ -0.0302406900000000, -0.0006097700000000, -0.0375399500000000 ] - [ 0.0019067700000000, 0.0015949600000000, -0.0032481300000000 ] - [ 0.0011877900000000, -0.0023431500000000, -0.0027050900000000 ] - [ -0.0000220400000000, 0.0005478200000000, -0.0012306300000000 ] - [ -0.0227449700000000, -0.0008157000000000, 0.0202728200000000 ] - [ 0.0028217900000000, 0.0015825400000000, 0.0035058400000000 ] - [ 0.0016712200000000, -0.0027269800000000, 0.0030416200000000 ] - [ -0.0002063700000000, 0.0010939000000000, 0.0012798100000000 ] - [ -0.0528939100000000, 0.0683309800000000, -0.1402425000000000 ] - [ 0.0016639200000000, 0.0002447400000000, -0.0004247600000000 ] - [ 0.0000013800000000, -0.0007742500000000, -0.0001896400000000 ] - [ -0.0005749500000000, 0.0009587200000000, -0.0002656500000000 ] - [ -0.0050712700000000, -0.0003619800000000, -0.0067086600000000 ] - [ 0.0005302700000000, 0.0008627500000000, -0.0004830800000000 ] - [ 0.0043996200000000, -0.0092553600000000, -0.0015993600000000 ] - [ 0.0004470200000000, -0.0002056200000000, -0.0001754600000000 ] - [ 0.0002234200000000, 0.0001467800000000, -0.0062016500000000 ] - [ 0.0095097100000000, -0.0057322900000000, -0.0015052800000000 ] - [ 0.0002762600000000, -0.0003995800000000, -0.0002707900000000 ] - [ 0.0013522800000000, 0.0011621500000000, -0.0006002100000000 ] - [ 0.0032834300000000, 0.0039169700000000, 0.0104057300000000 ] - [ -0.0028037700000000, 0.0001754600000000, 0.0010041400000000 ] - [ -0.0003970600000000, 0.0002938500000000, 0.0002655200000000 ] - [ 0.0000346500000000, -0.0014164700000000, 0.0001731100000000 ] - [ -0.0064018800000000, 0.0016743500000000, 0.0140087000000000 ] - [ 0.0023698900000000, 0.0004499800000000, 0.0001652400000000 ] - [ 0.0014631000000000, -0.0023914100000000, 0.0002142400000000 ] - [ -0.0007162300000000, 0.0000452900000000, 0.0003932000000000 ] - [ 0.0000250800000000, -0.0049298200000000, 0.0106486500000000 ] - [ 0.0002063800000000, 0.0000991600000000, 0.0003532000000000 ] - [ -0.0014537900000000, 0.0010261900000000, 0.0002892500000000 ] - [ 0.0014657600000000, 0.0018710600000000, 0.0002422700000000 ] - [ 0.0000704200000000, 0.0017147700000000, 0.0007407200000000 ] - [ -0.0000729900000000, 0.0000500600000000, 0.0001505800000000 ] - [ -0.0044679000000000, 0.0174213100000000, -0.0020914900000000 ] - [ -0.0006619900000000, 0.0007526400000000, 0.0000829400000000 ] - [ -0.0007686700000000, -0.0005710100000000, 0.0001106400000000 ] - [ 0.0010608900000000, -0.0027647300000000, 0.0006852000000000 ] - [ -0.0009992800000000, -0.0009205700000000, 0.0006953600000000 ] - [ -0.0022104200000000, 0.0017778800000000, 0.0002535800000000 ] - [ -0.0004447600000000, -0.0002380500000000, 0.0009458600000000 ] - [ -0.0175976400000000, 0.0063182400000000, -0.0027985000000000 ] - [ 0.0008924300000000, -0.0001622400000000, 0.0000946600000000 ] - [ 0.0006535100000000, -0.0005599600000000, 0.0000997100000000 ] - [ 0.0001144200000000, 0.0006775000000000, -0.0000954700000000 ] - [ 0.0007146000000000, 0.0028033000000000, -0.0011991900000000 ] - [ -0.0010975700000000, -0.0016104200000000, -0.0013766300000000 ] - [ 0.0007827400000000, 0.0004342700000000, -0.0001486400000000 ] - [ -0.0040632900000000, -0.0012157700000000, -0.0014327600000000 ] - [ 0.0021624800000000, 0.0000163500000000, -0.0022166600000000 ] - [ -0.0003399400000000, -0.0002673300000000, -0.0000996500000000 ] - [ -0.0009166200000000, 0.0004174800000000, -0.0000541900000000 ] - [ -0.0014525400000000, 0.0022387400000000, -0.0016536800000000 ] - [ 0.0007246800000000, -0.0006409100000000, -0.0001597900000000 ] - [ 0.0025048800000000, -0.0023518800000000, -0.0013508800000000 ] - [ -0.0003061600000000, -0.0006264500000000, -0.0000528700000000 ] - [ 0.1314286700000000, -0.0832690600000000, 0.2423243800000000 ] - [ -0.0018002500000000, -0.0001462000000000, -0.0002388400000000 ] - [ -0.0009772800000000, 0.0004830900000000, -0.0000281400000000 ] - [ -0.0005281800000000, -0.0002572900000000, 0.0001474100000000 ] - [ 0.0031683000000000, -0.0027501900000000, 0.0017384100000000 ] - [ -0.0005225600000000, -0.0010390600000000, -0.0000856100000000 ] - [ -0.0009243600000000, 0.0033615600000000, -0.0024997300000000 ] - [ 0.0002428100000000, -0.0008442800000000, 0.0002825000000000 ] - [ 0.0034214400000000, 0.0020856300000000, 0.0017427900000000 ] - [ -0.0030139300000000, -0.0001643900000000, -0.0025043700000000 ] - [ 0.0004123800000000, 0.0011994800000000, 0.0002855300000000 ] - [ 0.0001048800000000, -0.0000199100000000, -0.0000796900000000 ] - [ -0.0018120800000000, -0.0042225800000000, 0.0105133900000000 ] - [ -0.0023457700000000, -0.0003173000000000, 0.0023915600000000 ] - [ 0.0003199000000000, 0.0012026400000000, -0.0000721400000000 ] - [ 0.0000571500000000, 0.0004204400000000, 0.0004505200000000 ] - [ -0.0035178900000000, 0.0059299000000000, 0.0105026500000000 ] - [ -0.0001386200000000, -0.0009630700000000, 0.0004555900000000 ] - [ -0.0003335100000000, 0.0023515100000000, 0.0023879100000000 ] - [ 0.0002284600000000, -0.0006505300000000, -0.0000675900000000 ] - [ -0.0187880200000000, -0.0020980100000000, -0.0190829100000000 ] - [ 0.0019908800000000, -0.0000692700000000, 0.0009212300000000 ] - [ 0.0012166500000000, -0.0000193700000000, 0.0006372900000000 ] - [ 0.0010498300000000, 0.0002381900000000, 0.0006399900000000 ] - [ -0.0006708000000000, -0.0127915000000000, -0.0198038300000000 ] - [ -0.0013120300000000, 0.0011365900000000, 0.0011434300000000 ] - [ -0.0012709400000000, 0.0019719300000000, 0.0011370100000000 ] - [ -0.0002013600000000, 0.0008449100000000, 0.0002253800000000 ] - [ -0.0022246300000000, 0.0133525300000000, -0.0177575600000000 ] - [ -0.0009184600000000, -0.0011242100000000, 0.0007223700000000 ] - [ -0.0004562200000000, -0.0011033000000000, 0.0009431200000000 ] - [ -0.0007620700000000, -0.0015172900000000, 0.0007170700000000 ] - [ -0.0007967700000000, 0.0040405600000000, -0.0082899000000000 ] - [ -0.0016980400000000, 0.0013246200000000, -0.0016071700000000 ] - [ -0.0015359200000000, 0.0020670800000000, -0.0016007500000000 ] - [ -0.0003255200000000, 0.0004690600000000, -0.0005388500000000 ] - [ -0.0001535700000000, -0.0044660200000000, -0.0075979100000000 ] - [ -0.0009189600000000, -0.0012878300000000, -0.0010747300000000 ] - [ -0.0004646900000000, -0.0012414000000000, -0.0012694900000000 ] - [ -0.0006199200000000, -0.0016806900000000, -0.0010697100000000 ] - [ 0.0131359700000000, -0.0002256600000000, -0.0358358700000000 ] - [ -0.0019119300000000, -0.0000061500000000, 0.0006425700000000 ] - [ -0.0011639100000000, 0.0005838500000000, 0.0002569700000000 ] - [ -0.0005115700000000, -0.0001556500000000, 0.0000739800000000 ] - [ 0.0056903600000000, 0.0005910000000000, -0.0074564100000000 ] - [ 0.0014329300000000, 0.0002334700000000, -0.0015984200000000 ] - [ 0.0011963100000000, 0.0001440100000000, -0.0008989700000000 ] - [ 0.0012136800000000, 0.0003109200000000, -0.0009029100000000 ]