# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/0e525f5d-6f83-415b-8349-453442b8755c/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 La3InS6 / P2_12_12 (18) / materials id 540877](https://mdr.nims.go.jp/datasets/25a41a53-9d73-4fd4-b940-52ced5fc16dc) ## Fulltext phonopy: version: 2.17.1 frequency_unit_conversion_factor: 15.633302 symmetry_tolerance: 1.00000e-05 configuration: save_params: ".true."physical_unit: atomic_mass: "AMU" length: "angstrom" force_constants: "eV/angstrom^2"space_group: type: "P2_12_12" number: 18 Hall_symbol: "P 2 2ab"supercell_matrix:- [ 1, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 3 ]primitive_cell: lattice: - [ 13.823535430000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 16.698527230000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 4.009097179999999 ] # c points: - symbol: La # 1 coordinates: [ 0.544327070000000, 0.720643890000000, 0.749946560000000 ] mass: 138.905470 - symbol: La # 2 coordinates: [ 0.455672930000000, 0.279356110000000, 0.749946560000000 ] mass: 138.905470 - symbol: La # 3 coordinates: [ 0.044327070000000, 0.779356110000000, 0.250053440000000 ] mass: 138.905470 - symbol: La # 4 coordinates: [ 0.955672930000000, 0.220643890000000, 0.250053440000000 ] mass: 138.905470 - symbol: La # 5 coordinates: [ 0.755531460000000, 0.894797000000000, 0.749950590000000 ] mass: 138.905470 - symbol: La # 6 coordinates: [ 0.244468540000000, 0.105203000000000, 0.749950590000000 ] mass: 138.905470 - symbol: La # 7 coordinates: [ 0.255531460000000, 0.605203000000000, 0.250049410000000 ] mass: 138.905470 - symbol: La # 8 coordinates: [ 0.744468540000000, 0.394797000000000, 0.250049410000000 ] mass: 138.905470 - symbol: La # 9 coordinates: [ 0.815340900000000, 0.645683820000000, 0.250029320000000 ] mass: 138.905470 - symbol: La # 10 coordinates: [ 0.184659100000000, 0.354316180000000, 0.250029320000000 ] mass: 138.905470 - symbol: La # 11 coordinates: [ 0.315340900000000, 0.854316180000000, 0.749970680000000 ] mass: 138.905470 - symbol: La # 12 coordinates: [ 0.684659100000000, 0.145683820000000, 0.749970680000000 ] mass: 138.905470 - symbol: In # 13 coordinates: [ 0.500000000000000, 0.000000000000000, 0.250018820000000 ] mass: 114.818000 - symbol: In # 14 coordinates: [ 0.000000000000000, 0.500000000000000, 0.749981180000000 ] mass: 114.818000 - symbol: In # 15 coordinates: [ 0.000000000000000, 0.000000000000000, 0.749582840000000 ] mass: 114.818000 - symbol: In # 16 coordinates: [ 0.500000000000000, 0.500000000000000, 0.250417160000000 ] mass: 114.818000 - symbol: S # 17 coordinates: [ 0.908164650000000, 0.918552040000000, 0.249920460000000 ] mass: 32.065000 - symbol: S # 18 coordinates: [ 0.091835350000000, 0.081447960000000, 0.249920460000000 ] mass: 32.065000 - symbol: S # 19 coordinates: [ 0.408164650000000, 0.581447960000000, 0.750079540000000 ] mass: 32.065000 - symbol: S # 20 coordinates: [ 0.591835350000000, 0.418552040000000, 0.750079540000000 ] mass: 32.065000 - symbol: S # 21 coordinates: [ 0.812079030000000, 0.519075530000000, 0.750027360000000 ] mass: 32.065000 - symbol: S # 22 coordinates: [ 0.187920970000000, 0.480924470000000, 0.750027360000000 ] mass: 32.065000 - symbol: S # 23 coordinates: [ 0.312079030000000, 0.980924470000000, 0.249972640000000 ] mass: 32.065000 - symbol: S # 24 coordinates: [ 0.687920970000000, 0.019075530000000, 0.249972640000000 ] mass: 32.065000 - symbol: S # 25 coordinates: [ 0.616196790000000, 0.610824540000000, 0.249939530000000 ] mass: 32.065000 - symbol: S # 26 coordinates: [ 0.383803210000000, 0.389175460000000, 0.249939530000000 ] mass: 32.065000 - symbol: S # 27 coordinates: [ 0.116196790000000, 0.889175460000000, 0.750060470000000 ] mass: 32.065000 - symbol: S # 28 coordinates: [ 0.883803210000000, 0.110824540000000, 0.750060470000000 ] mass: 32.065000 - symbol: S # 29 coordinates: [ 0.683326720000000, 0.786533330000000, 0.249958530000000 ] mass: 32.065000 - symbol: S # 30 coordinates: [ 0.316673280000000, 0.213466670000000, 0.249958530000000 ] mass: 32.065000 - symbol: S # 31 coordinates: [ 0.183326720000000, 0.713466670000000, 0.750041470000000 ] mass: 32.065000 - symbol: S # 32 coordinates: [ 0.816673280000000, 0.286533330000000, 0.750041470000000 ] mass: 32.065000 - symbol: S # 33 coordinates: [ 0.893090160000000, 0.748432030000000, 0.750020920000000 ] mass: 32.065000 - symbol: S # 34 coordinates: [ 0.106909840000000, 0.251567970000000, 0.750020920000000 ] mass: 32.065000 - symbol: S # 35 coordinates: [ 0.393090160000000, 0.751567970000000, 0.249979080000000 ] mass: 32.065000 - symbol: S # 36 coordinates: [ 0.606909840000000, 0.248432030000000, 0.249979080000000 ] mass: 32.065000 - symbol: S # 37 coordinates: [ 0.524559230000000, 0.897365540000000, 0.750001290000000 ] mass: 32.065000 - symbol: S # 38 coordinates: [ 0.475440770000000, 0.102634460000000, 0.750001290000000 ] mass: 32.065000 - symbol: S # 39 coordinates: [ 0.024559230000000, 0.602634460000000, 0.249998710000000 ] mass: 32.065000 - symbol: S # 40 coordinates: [ 0.975440770000000, 0.397365540000000, 0.249998710000000 ] mass: 32.065000 reciprocal_lattice: # without 2pi - [ 0.072340394037678, 0.000000000000000, 0.000000000000000 ] # a* - [ 0.000000000000000, 0.059885520814281, 0.000000000000000 ] # b* - [ 0.000000000000000, 0.000000000000000, 0.249432716420209 ] # c*unit_cell: lattice: - [ 13.823535430000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 16.698527230000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 4.009097180000000 ] # c points: - symbol: La # 1 coordinates: [ 0.544327070000000, 0.720643890000000, 0.749946560000000 ] mass: 138.905470 reduced_to: 1 - symbol: La # 2 coordinates: [ 0.455672930000000, 0.279356110000000, 0.749946560000000 ] mass: 138.905470 reduced_to: 2 - symbol: La # 3 coordinates: [ 0.044327070000000, 0.779356110000000, 0.250053440000000 ] mass: 138.905470 reduced_to: 3 - symbol: La # 4 coordinates: [ 0.955672930000000, 0.220643890000000, 0.250053440000000 ] mass: 138.905470 reduced_to: 4 - symbol: La # 5 coordinates: [ 0.755531460000000, 0.894797000000000, 0.749950590000000 ] mass: 138.905470 reduced_to: 5 - symbol: La # 6 coordinates: [ 0.244468540000000, 0.105203000000000, 0.749950590000000 ] mass: 138.905470 reduced_to: 6 - symbol: La # 7 coordinates: [ 0.255531460000000, 0.605203000000000, 0.250049410000000 ] mass: 138.905470 reduced_to: 7 - symbol: La # 8 coordinates: [ 0.744468540000000, 0.394797000000000, 0.250049410000000 ] mass: 138.905470 reduced_to: 8 - symbol: La # 9 coordinates: [ 0.815340900000000, 0.645683820000000, 0.250029320000000 ] mass: 138.905470 reduced_to: 9 - symbol: La # 10 coordinates: [ 0.184659100000000, 0.354316180000000, 0.250029320000000 ] mass: 138.905470 reduced_to: 10 - symbol: La # 11 coordinates: [ 0.315340900000000, 0.854316180000000, 0.749970680000000 ] mass: 138.905470 reduced_to: 11 - symbol: La # 12 coordinates: [ 0.684659100000000, 0.145683820000000, 0.749970680000000 ] mass: 138.905470 reduced_to: 12 - symbol: In # 13 coordinates: [ 0.500000000000000, 0.000000000000000, 0.250018820000000 ] mass: 114.818000 reduced_to: 13 - symbol: In # 14 coordinates: [ 0.000000000000000, 0.500000000000000, 0.749981180000000 ] mass: 114.818000 reduced_to: 14 - symbol: In # 15 coordinates: [ 0.000000000000000, 0.000000000000000, 0.749582840000000 ] mass: 114.818000 reduced_to: 15 - symbol: In # 16 coordinates: [ 0.500000000000000, 0.500000000000000, 0.250417160000000 ] mass: 114.818000 reduced_to: 16 - symbol: S # 17 coordinates: [ 0.908164650000000, 0.918552040000000, 0.249920460000000 ] mass: 32.065000 reduced_to: 17 - symbol: S # 18 coordinates: [ 0.091835350000000, 0.081447960000000, 0.249920460000000 ] mass: 32.065000 reduced_to: 18 - symbol: S # 19 coordinates: [ 0.408164650000000, 0.581447960000000, 0.750079540000000 ] mass: 32.065000 reduced_to: 19 - symbol: S # 20 coordinates: [ 0.591835350000000, 0.418552040000000, 0.750079540000000 ] mass: 32.065000 reduced_to: 20 - symbol: S # 21 coordinates: [ 0.812079030000000, 0.519075530000000, 0.750027360000000 ] mass: 32.065000 reduced_to: 21 - symbol: S # 22 coordinates: [ 0.187920970000000, 0.480924470000000, 0.750027360000000 ] mass: 32.065000 reduced_to: 22 - symbol: S # 23 coordinates: [ 0.312079030000000, 0.980924470000000, 0.249972640000000 ] mass: 32.065000 reduced_to: 23 - symbol: S # 24 coordinates: [ 0.687920970000000, 0.019075530000000, 0.249972640000000 ] mass: 32.065000 reduced_to: 24 - symbol: S # 25 coordinates: [ 0.616196790000000, 0.610824540000000, 0.249939530000000 ] mass: 32.065000 reduced_to: 25 - symbol: S # 26 coordinates: [ 0.383803210000000, 0.389175460000000, 0.249939530000000 ] mass: 32.065000 reduced_to: 26 - symbol: S # 27 coordinates: [ 0.116196790000000, 0.889175460000000, 0.750060470000000 ] mass: 32.065000 reduced_to: 27 - symbol: S # 28 coordinates: [ 0.883803210000000, 0.110824540000000, 0.750060470000000 ] mass: 32.065000 reduced_to: 28 - symbol: S # 29 coordinates: [ 0.683326720000000, 0.786533330000000, 0.249958530000000 ] mass: 32.065000 reduced_to: 29 - symbol: S # 30 coordinates: [ 0.316673280000000, 0.213466670000000, 0.249958530000000 ] mass: 32.065000 reduced_to: 30 - symbol: S # 31 coordinates: [ 0.183326720000000, 0.713466670000000, 0.750041470000000 ] mass: 32.065000 reduced_to: 31 - symbol: S # 32 coordinates: [ 0.816673280000000, 0.286533330000000, 0.750041470000000 ] mass: 32.065000 reduced_to: 32 - symbol: S # 33 coordinates: [ 0.893090160000000, 0.748432030000000, 0.750020920000000 ] mass: 32.065000 reduced_to: 33 - symbol: S # 34 coordinates: [ 0.106909840000000, 0.251567970000000, 0.750020920000000 ] mass: 32.065000 reduced_to: 34 - symbol: S # 35 coordinates: [ 0.393090160000000, 0.751567970000000, 0.249979080000000 ] mass: 32.065000 reduced_to: 35 - symbol: S # 36 coordinates: [ 0.606909840000000, 0.248432030000000, 0.249979080000000 ] mass: 32.065000 reduced_to: 36 - symbol: S # 37 coordinates: [ 0.524559230000000, 0.897365540000000, 0.750001290000000 ] mass: 32.065000 reduced_to: 37 - symbol: S # 38 coordinates: [ 0.475440770000000, 0.102634460000000, 0.750001290000000 ] mass: 32.065000 reduced_to: 38 - symbol: S # 39 coordinates: [ 0.024559230000000, 0.602634460000000, 0.249998710000000 ] mass: 32.065000 reduced_to: 39 - symbol: S # 40 coordinates: [ 0.975440770000000, 0.397365540000000, 0.249998710000000 ] mass: 32.065000 reduced_to: 40supercell: lattice: - [ 13.823535430000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 16.698527230000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 12.027291540000000 ] # c points: - symbol: La # 1 coordinates: [ 0.544327070000000, 0.720643890000000, 0.249982186666667 ] mass: 138.905470 reduced_to: 1 - symbol: La # 2 coordinates: [ 0.544327070000000, 0.720643890000000, 0.583315520000000 ] mass: 138.905470 reduced_to: 1 - symbol: La # 3 coordinates: [ 0.544327070000000, 0.720643890000000, 0.916648853333333 ] mass: 138.905470 reduced_to: 1 - symbol: La # 4 coordinates: [ 0.455672930000000, 0.279356110000000, 0.249982186666667 ] mass: 138.905470 reduced_to: 4 - symbol: La # 5 coordinates: [ 0.455672930000000, 0.279356110000000, 0.583315520000000 ] mass: 138.905470 reduced_to: 4 - symbol: La # 6 coordinates: [ 0.455672930000000, 0.279356110000000, 0.916648853333333 ] mass: 138.905470 reduced_to: 4 - symbol: La # 7 coordinates: [ 0.044327070000000, 0.779356110000000, 0.083351146666667 ] mass: 138.905470 reduced_to: 7 - symbol: La # 8 coordinates: [ 0.044327070000000, 0.779356110000000, 0.416684480000000 ] mass: 138.905470 reduced_to: 7 - symbol: La # 9 coordinates: [ 0.044327070000000, 0.779356110000000, 0.750017813333333 ] mass: 138.905470 reduced_to: 7 - symbol: La # 10 coordinates: [ 0.955672930000000, 0.220643890000000, 0.083351146666667 ] mass: 138.905470 reduced_to: 10 - symbol: La # 11 coordinates: [ 0.955672930000000, 0.220643890000000, 0.416684480000000 ] mass: 138.905470 reduced_to: 10 - symbol: La # 12 coordinates: [ 0.955672930000000, 0.220643890000000, 0.750017813333333 ] mass: 138.905470 reduced_to: 10 - symbol: La # 13 coordinates: [ 0.755531460000000, 0.894797000000000, 0.249983530000000 ] mass: 138.905470 reduced_to: 13 - symbol: La # 14 coordinates: [ 0.755531460000000, 0.894797000000000, 0.583316863333333 ] mass: 138.905470 reduced_to: 13 - symbol: La # 15 coordinates: [ 0.755531460000000, 0.894797000000000, 0.916650196666667 ] mass: 138.905470 reduced_to: 13 - symbol: La # 16 coordinates: [ 0.244468540000000, 0.105203000000000, 0.249983530000000 ] mass: 138.905470 reduced_to: 16 - symbol: La # 17 coordinates: [ 0.244468540000000, 0.105203000000000, 0.583316863333333 ] mass: 138.905470 reduced_to: 16 - symbol: La # 18 coordinates: [ 0.244468540000000, 0.105203000000000, 0.916650196666667 ] mass: 138.905470 reduced_to: 16 - symbol: La # 19 coordinates: [ 0.255531460000000, 0.605203000000000, 0.083349803333333 ] mass: 138.905470 reduced_to: 19 - symbol: La # 20 coordinates: [ 0.255531460000000, 0.605203000000000, 0.416683136666667 ] mass: 138.905470 reduced_to: 19 - symbol: La # 21 coordinates: [ 0.255531460000000, 0.605203000000000, 0.750016470000000 ] mass: 138.905470 reduced_to: 19 - symbol: La # 22 coordinates: [ 0.744468540000000, 0.394797000000000, 0.083349803333333 ] mass: 138.905470 reduced_to: 22 - symbol: La # 23 coordinates: [ 0.744468540000000, 0.394797000000000, 0.416683136666667 ] mass: 138.905470 reduced_to: 22 - symbol: La # 24 coordinates: [ 0.744468540000000, 0.394797000000000, 0.750016470000000 ] mass: 138.905470 reduced_to: 22 - symbol: La # 25 coordinates: [ 0.815340900000000, 0.645683820000000, 0.083343106666667 ] mass: 138.905470 reduced_to: 25 - symbol: La # 26 coordinates: [ 0.815340900000000, 0.645683820000000, 0.416676440000000 ] mass: 138.905470 reduced_to: 25 - symbol: La # 27 coordinates: [ 0.815340900000000, 0.645683820000000, 0.750009773333333 ] mass: 138.905470 reduced_to: 25 - symbol: La # 28 coordinates: [ 0.184659100000000, 0.354316180000000, 0.083343106666667 ] mass: 138.905470 reduced_to: 28 - symbol: La # 29 coordinates: [ 0.184659100000000, 0.354316180000000, 0.416676440000000 ] mass: 138.905470 reduced_to: 28 - symbol: La # 30 coordinates: [ 0.184659100000000, 0.354316180000000, 0.750009773333333 ] mass: 138.905470 reduced_to: 28 - symbol: La # 31 coordinates: [ 0.315340900000000, 0.854316180000000, 0.249990226666667 ] mass: 138.905470 reduced_to: 31 - symbol: La # 32 coordinates: [ 0.315340900000000, 0.854316180000000, 0.583323560000000 ] mass: 138.905470 reduced_to: 31 - symbol: La # 33 coordinates: [ 0.315340900000000, 0.854316180000000, 0.916656893333333 ] mass: 138.905470 reduced_to: 31 - symbol: La # 34 coordinates: [ 0.684659100000000, 0.145683820000000, 0.249990226666667 ] mass: 138.905470 reduced_to: 34 - symbol: La # 35 coordinates: [ 0.684659100000000, 0.145683820000000, 0.583323560000000 ] mass: 138.905470 reduced_to: 34 - symbol: La # 36 coordinates: [ 0.684659100000000, 0.145683820000000, 0.916656893333333 ] mass: 138.905470 reduced_to: 34 - symbol: In # 37 coordinates: [ 0.500000000000000, 0.000000000000000, 0.083339606666667 ] mass: 114.818000 reduced_to: 37 - symbol: In # 38 coordinates: [ 0.500000000000000, 0.000000000000000, 0.416672940000000 ] mass: 114.818000 reduced_to: 37 - symbol: In # 39 coordinates: [ 0.500000000000000, 0.000000000000000, 0.750006273333333 ] mass: 114.818000 reduced_to: 37 - symbol: In # 40 coordinates: [ 0.000000000000000, 0.500000000000000, 0.249993726666667 ] mass: 114.818000 reduced_to: 40 - symbol: In # 41 coordinates: [ 0.000000000000000, 0.500000000000000, 0.583327060000000 ] mass: 114.818000 reduced_to: 40 - symbol: In # 42 coordinates: [ 0.000000000000000, 0.500000000000000, 0.916660393333333 ] mass: 114.818000 reduced_to: 40 - symbol: In # 43 coordinates: [ 0.000000000000000, 0.000000000000000, 0.249860946666667 ] mass: 114.818000 reduced_to: 43 - symbol: In # 44 coordinates: [ 0.000000000000000, 0.000000000000000, 0.583194280000000 ] mass: 114.818000 reduced_to: 43 - symbol: In # 45 coordinates: [ 0.000000000000000, 0.000000000000000, 0.916527613333333 ] mass: 114.818000 reduced_to: 43 - symbol: In # 46 coordinates: [ 0.500000000000000, 0.500000000000000, 0.083472386666667 ] mass: 114.818000 reduced_to: 46 - symbol: In # 47 coordinates: [ 0.500000000000000, 0.500000000000000, 0.416805720000000 ] mass: 114.818000 reduced_to: 46 - symbol: In # 48 coordinates: [ 0.500000000000000, 0.500000000000000, 0.750139053333333 ] mass: 114.818000 reduced_to: 46 - symbol: S # 49 coordinates: [ 0.908164650000000, 0.918552040000000, 0.083306820000000 ] mass: 32.065000 reduced_to: 49 - symbol: S # 50 coordinates: [ 0.908164650000000, 0.918552040000000, 0.416640153333333 ] mass: 32.065000 reduced_to: 49 - symbol: S # 51 coordinates: [ 0.908164650000000, 0.918552040000000, 0.749973486666667 ] mass: 32.065000 reduced_to: 49 - symbol: S # 52 coordinates: [ 0.091835350000000, 0.081447960000000, 0.083306820000000 ] mass: 32.065000 reduced_to: 52 - symbol: S # 53 coordinates: [ 0.091835350000000, 0.081447960000000, 0.416640153333333 ] mass: 32.065000 reduced_to: 52 - symbol: S # 54 coordinates: [ 0.091835350000000, 0.081447960000000, 0.749973486666667 ] mass: 32.065000 reduced_to: 52 - symbol: S # 55 coordinates: [ 0.408164650000000, 0.581447960000000, 0.250026513333333 ] mass: 32.065000 reduced_to: 55 - symbol: S # 56 coordinates: [ 0.408164650000000, 0.581447960000000, 0.583359846666667 ] mass: 32.065000 reduced_to: 55 - symbol: S # 57 coordinates: [ 0.408164650000000, 0.581447960000000, 0.916693180000000 ] mass: 32.065000 reduced_to: 55 - symbol: S # 58 coordinates: [ 0.591835350000000, 0.418552040000000, 0.250026513333333 ] mass: 32.065000 reduced_to: 58 - symbol: S # 59 coordinates: [ 0.591835350000000, 0.418552040000000, 0.583359846666667 ] mass: 32.065000 reduced_to: 58 - symbol: S # 60 coordinates: [ 0.591835350000000, 0.418552040000000, 0.916693180000000 ] mass: 32.065000 reduced_to: 58 - symbol: S # 61 coordinates: [ 0.812079030000000, 0.519075530000000, 0.250009120000000 ] mass: 32.065000 reduced_to: 61 - symbol: S # 62 coordinates: [ 0.812079030000000, 0.519075530000000, 0.583342453333333 ] mass: 32.065000 reduced_to: 61 - symbol: S # 63 coordinates: [ 0.812079030000000, 0.519075530000000, 0.916675786666667 ] mass: 32.065000 reduced_to: 61 - symbol: S # 64 coordinates: [ 0.187920970000000, 0.480924470000000, 0.250009120000000 ] mass: 32.065000 reduced_to: 64 - symbol: S # 65 coordinates: [ 0.187920970000000, 0.480924470000000, 0.583342453333333 ] mass: 32.065000 reduced_to: 64 - symbol: S # 66 coordinates: [ 0.187920970000000, 0.480924470000000, 0.916675786666667 ] mass: 32.065000 reduced_to: 64 - symbol: S # 67 coordinates: [ 0.312079030000000, 0.980924470000000, 0.083324213333333 ] mass: 32.065000 reduced_to: 67 - symbol: S # 68 coordinates: [ 0.312079030000000, 0.980924470000000, 0.416657546666667 ] mass: 32.065000 reduced_to: 67 - symbol: S # 69 coordinates: [ 0.312079030000000, 0.980924470000000, 0.749990880000000 ] mass: 32.065000 reduced_to: 67 - symbol: S # 70 coordinates: [ 0.687920970000000, 0.019075530000000, 0.083324213333333 ] mass: 32.065000 reduced_to: 70 - symbol: S # 71 coordinates: [ 0.687920970000000, 0.019075530000000, 0.416657546666667 ] mass: 32.065000 reduced_to: 70 - symbol: S # 72 coordinates: [ 0.687920970000000, 0.019075530000000, 0.749990880000000 ] mass: 32.065000 reduced_to: 70 - symbol: S # 73 coordinates: [ 0.616196790000000, 0.610824540000000, 0.083313176666667 ] mass: 32.065000 reduced_to: 73 - symbol: S # 74 coordinates: [ 0.616196790000000, 0.610824540000000, 0.416646510000000 ] mass: 32.065000 reduced_to: 73 - symbol: S # 75 coordinates: [ 0.616196790000000, 0.610824540000000, 0.749979843333333 ] mass: 32.065000 reduced_to: 73 - symbol: S # 76 coordinates: [ 0.383803210000000, 0.389175460000000, 0.083313176666667 ] mass: 32.065000 reduced_to: 76 - symbol: S # 77 coordinates: [ 0.383803210000000, 0.389175460000000, 0.416646510000000 ] mass: 32.065000 reduced_to: 76 - symbol: S # 78 coordinates: [ 0.383803210000000, 0.389175460000000, 0.749979843333333 ] mass: 32.065000 reduced_to: 76 - symbol: S # 79 coordinates: [ 0.116196790000000, 0.889175460000000, 0.250020156666667 ] mass: 32.065000 reduced_to: 79 - symbol: S # 80 coordinates: [ 0.116196790000000, 0.889175460000000, 0.583353490000000 ] mass: 32.065000 reduced_to: 79 - symbol: S # 81 coordinates: [ 0.116196790000000, 0.889175460000000, 0.916686823333333 ] mass: 32.065000 reduced_to: 79 - symbol: S # 82 coordinates: [ 0.883803210000000, 0.110824540000000, 0.250020156666667 ] mass: 32.065000 reduced_to: 82 - symbol: S # 83 coordinates: [ 0.883803210000000, 0.110824540000000, 0.583353490000000 ] mass: 32.065000 reduced_to: 82 - symbol: S # 84 coordinates: [ 0.883803210000000, 0.110824540000000, 0.916686823333333 ] mass: 32.065000 reduced_to: 82 - symbol: S # 85 coordinates: [ 0.683326720000000, 0.786533330000000, 0.083319510000000 ] mass: 32.065000 reduced_to: 85 - symbol: S # 86 coordinates: [ 0.683326720000000, 0.786533330000000, 0.416652843333333 ] mass: 32.065000 reduced_to: 85 - symbol: S # 87 coordinates: [ 0.683326720000000, 0.786533330000000, 0.749986176666667 ] mass: 32.065000 reduced_to: 85 - symbol: S # 88 coordinates: [ 0.316673280000000, 0.213466670000000, 0.083319510000000 ] mass: 32.065000 reduced_to: 88 - symbol: S # 89 coordinates: [ 0.316673280000000, 0.213466670000000, 0.416652843333333 ] mass: 32.065000 reduced_to: 88 - symbol: S # 90 coordinates: [ 0.316673280000000, 0.213466670000000, 0.749986176666667 ] mass: 32.065000 reduced_to: 88 - symbol: S # 91 coordinates: [ 0.183326720000000, 0.713466670000000, 0.250013823333333 ] mass: 32.065000 reduced_to: 91 - symbol: S # 92 coordinates: [ 0.183326720000000, 0.713466670000000, 0.583347156666667 ] mass: 32.065000 reduced_to: 91 - symbol: S # 93 coordinates: [ 0.183326720000000, 0.713466670000000, 0.916680490000000 ] mass: 32.065000 reduced_to: 91 - symbol: S # 94 coordinates: [ 0.816673280000000, 0.286533330000000, 0.250013823333333 ] mass: 32.065000 reduced_to: 94 - symbol: S # 95 coordinates: [ 0.816673280000000, 0.286533330000000, 0.583347156666667 ] mass: 32.065000 reduced_to: 94 - symbol: S # 96 coordinates: [ 0.816673280000000, 0.286533330000000, 0.916680490000000 ] mass: 32.065000 reduced_to: 94 - symbol: S # 97 coordinates: [ 0.893090160000000, 0.748432030000000, 0.250006973333333 ] mass: 32.065000 reduced_to: 97 - symbol: S # 98 coordinates: [ 0.893090160000000, 0.748432030000000, 0.583340306666667 ] mass: 32.065000 reduced_to: 97 - symbol: S # 99 coordinates: [ 0.893090160000000, 0.748432030000000, 0.916673640000000 ] mass: 32.065000 reduced_to: 97 - symbol: S # 100 coordinates: [ 0.106909840000000, 0.251567970000000, 0.250006973333333 ] mass: 32.065000 reduced_to: 100 - symbol: S # 101 coordinates: [ 0.106909840000000, 0.251567970000000, 0.583340306666667 ] mass: 32.065000 reduced_to: 100 - symbol: S # 102 coordinates: [ 0.106909840000000, 0.251567970000000, 0.916673640000000 ] mass: 32.065000 reduced_to: 100 - symbol: S # 103 coordinates: [ 0.393090160000000, 0.751567970000000, 0.083326360000000 ] mass: 32.065000 reduced_to: 103 - symbol: S # 104 coordinates: [ 0.393090160000000, 0.751567970000000, 0.416659693333333 ] mass: 32.065000 reduced_to: 103 - symbol: S # 105 coordinates: [ 0.393090160000000, 0.751567970000000, 0.749993026666667 ] mass: 32.065000 reduced_to: 103 - symbol: S # 106 coordinates: [ 0.606909840000000, 0.248432030000000, 0.083326360000000 ] mass: 32.065000 reduced_to: 106 - symbol: S # 107 coordinates: [ 0.606909840000000, 0.248432030000000, 0.416659693333333 ] mass: 32.065000 reduced_to: 106 - symbol: S # 108 coordinates: [ 0.606909840000000, 0.248432030000000, 0.749993026666667 ] mass: 32.065000 reduced_to: 106 - symbol: S # 109 coordinates: [ 0.524559230000000, 0.897365540000000, 0.250000430000000 ] mass: 32.065000 reduced_to: 109 - symbol: S # 110 coordinates: [ 0.524559230000000, 0.897365540000000, 0.583333763333333 ] mass: 32.065000 reduced_to: 109 - symbol: S # 111 coordinates: [ 0.524559230000000, 0.897365540000000, 0.916667096666667 ] mass: 32.065000 reduced_to: 109 - symbol: S # 112 coordinates: [ 0.475440770000000, 0.102634460000000, 0.250000430000000 ] mass: 32.065000 reduced_to: 112 - symbol: S # 113 coordinates: [ 0.475440770000000, 0.102634460000000, 0.583333763333333 ] mass: 32.065000 reduced_to: 112 - symbol: S # 114 coordinates: [ 0.475440770000000, 0.102634460000000, 0.916667096666667 ] mass: 32.065000 reduced_to: 112 - symbol: S # 115 coordinates: [ 0.024559230000000, 0.602634460000000, 0.083332903333333 ] mass: 32.065000 reduced_to: 115 - symbol: S # 116 coordinates: [ 0.024559230000000, 0.602634460000000, 0.416666236666667 ] mass: 32.065000 reduced_to: 115 - symbol: S # 117 coordinates: [ 0.024559230000000, 0.602634460000000, 0.749999570000000 ] mass: 32.065000 reduced_to: 115 - symbol: S # 118 coordinates: [ 0.975440770000000, 0.397365540000000, 0.083332903333333 ] mass: 32.065000 reduced_to: 118 - symbol: S # 119 coordinates: [ 0.975440770000000, 0.397365540000000, 0.416666236666667 ] mass: 32.065000 reduced_to: 118 - symbol: S # 120 coordinates: [ 0.975440770000000, 0.397365540000000, 0.749999570000000 ] mass: 32.065000 reduced_to: 118displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0797474600000000, 0.0059594900000000, 0.0003226100000000 ] - [ -0.0078806800000000, 0.0000767800000000, -0.0003062200000000 ] - [ -0.0078808200000000, 0.0000766100000000, 0.0009555000000000 ] - [ 0.0001685200000000, 0.0008988300000000, 0.0003233800000000 ] - [ 0.0001293200000000, 0.0007034700000000, 0.0000603500000000 ] - [ 0.0001287600000000, 0.0007029300000000, 0.0005880400000000 ] - [ 0.0011405900000000, 0.0007727200000000, -0.0002821100000000 ] - [ 0.0011399800000000, 0.0007725300000000, -0.0003668100000000 ] - [ 0.0005100600000000, 0.0007801200000000, -0.0003244600000000 ] - [ 0.0012369100000000, -0.0008173000000000, -0.0002968800000000 ] - [ 0.0012374100000000, -0.0008173600000000, -0.0003512700000000 ] - [ 0.0011916600000000, -0.0008182900000000, -0.0003261500000000 ] - [ 0.0055616200000000, 0.0094764300000000, 0.0001673900000000 ] - [ 0.0017947400000000, 0.0030227300000000, 0.0027243400000000 ] - [ 0.0017947900000000, 0.0030217200000000, -0.0023925000000000 ] - [ -0.0002689500000000, -0.0010877800000000, 0.0001657000000000 ] - [ -0.0003369000000000, -0.0009486000000000, -0.0000932800000000 ] - [ -0.0003370000000000, -0.0009482600000000, 0.0004250700000000 ] - [ 0.0035913400000000, 0.0013061400000000, 0.0017161900000000 ] - [ 0.0035904400000000, 0.0013063300000000, -0.0020482300000000 ] - [ 0.0008625400000000, -0.0000905600000000, -0.0001657700000000 ] - [ -0.0003700800000000, -0.0002804100000000, -0.0002128600000000 ] - [ -0.0003700800000000, -0.0002802100000000, -0.0001190100000000 ] - [ -0.0003138400000000, 0.0003270200000000, -0.0001659300000000 ] - [ 0.0034748900000000, -0.0025270400000000, -0.0035019600000000 ] - [ 0.0034706600000000, -0.0025252700000000, 0.0031316100000000 ] - [ -0.0021350500000000, -0.0000901500000000, -0.0001836900000000 ] - [ 0.0027714900000000, -0.0000810600000000, 0.0000024100000000 ] - [ 0.0027730900000000, -0.0000812800000000, -0.0003704800000000 ] - [ 0.0024731000000000, -0.0002189400000000, -0.0001846700000000 ] - [ 0.0086929700000000, -0.0130960600000000, 0.0001831300000000 ] - [ -0.0003840000000000, -0.0031166900000000, -0.0031029700000000 ] - [ -0.0003829200000000, -0.0031176400000000, 0.0034723400000000 ] - [ 0.0019707900000000, 0.0005786100000000, 0.0001847600000000 ] - [ 0.0020735700000000, 0.0004478200000000, 0.0002282500000000 ] - [ 0.0020725200000000, 0.0004489600000000, 0.0001398600000000 ] - [ -0.0006503200000000, -0.0004706600000000, 0.0000850200000000 ] - [ -0.0006501800000000, -0.0004705600000000, -0.0005177200000000 ] - [ -0.0003069200000000, -0.0000228200000000, -0.0002166500000000 ] - [ 0.0013326400000000, -0.0001676700000000, 0.0002165900000000 ] - [ 0.0006057200000000, -0.0000502000000000, 0.0001756800000000 ] - [ 0.0006055800000000, -0.0000500000000000, 0.0002569600000000 ] - [ 0.0009771900000000, 0.0001486800000000, 0.0005088000000000 ] - [ 0.0007899000000000, 0.0003225400000000, 0.0005709100000000 ] - [ 0.0007898800000000, 0.0003222700000000, 0.0004440600000000 ] - [ -0.0051312100000000, 0.0001756400000000, 0.0025967900000000 ] - [ -0.0051281000000000, 0.0001715500000000, -0.0036054900000000 ] - [ -0.0013038800000000, 0.0005186600000000, -0.0005079700000000 ] - [ -0.0013023300000000, -0.0005485900000000, 0.0000865200000000 ] - [ -0.0013023400000000, -0.0005484100000000, -0.0002187700000000 ] - [ -0.0009668800000000, -0.0002703600000000, -0.0000656200000000 ] - [ -0.0006105400000000, -0.0000617400000000, -0.0001684600000000 ] - [ -0.0006104600000000, -0.0000619400000000, 0.0000379900000000 ] - [ -0.0004903700000000, -0.0001033300000000, -0.0000653600000000 ] - [ 0.0109966800000000, 0.0069092200000000, 0.0000627100000000 ] - [ 0.0020194700000000, -0.0006863200000000, 0.0005654100000000 ] - [ 0.0020197300000000, -0.0006859500000000, -0.0004352100000000 ] - [ 0.0008100600000000, 0.0005062700000000, 0.0000660500000000 ] - [ 0.0000473100000000, 0.0007775600000000, -0.0006695200000000 ] - [ 0.0000473300000000, 0.0007772700000000, 0.0008003900000000 ] - [ -0.0003065400000000, 0.0010389500000000, -0.0000307200000000 ] - [ -0.0000657500000000, 0.0003776900000000, -0.0004052000000000 ] - [ -0.0000658400000000, 0.0003777300000000, 0.0003441500000000 ] - [ -0.0009086200000000, -0.0005719300000000, -0.0000300700000000 ] - [ -0.0006191200000000, -0.0002849500000000, 0.0002916200000000 ] - [ -0.0006190300000000, -0.0002847700000000, -0.0003522600000000 ] - [ 0.0004941100000000, 0.0016895900000000, -0.0002714800000000 ] - [ 0.0004943100000000, 0.0016893500000000, 0.0003328900000000 ] - [ 0.0007065300000000, 0.0009762000000000, 0.0000305300000000 ] - [ 0.0003866800000000, -0.0008137800000000, -0.0001190600000000 ] - [ 0.0003866800000000, -0.0008136000000000, 0.0001796500000000 ] - [ 0.0002870500000000, -0.0003476500000000, 0.0000301500000000 ] - [ 0.0089690700000000, -0.0053267500000000, -0.0054787700000000 ] - [ 0.0089699800000000, -0.0053275100000000, 0.0058758900000000 ] - [ 0.0018934000000000, -0.0012637200000000, 0.0001992500000000 ] - [ -0.0012525700000000, -0.0000133100000000, -0.0004086000000000 ] - [ -0.0012529000000000, -0.0000133000000000, 0.0008053900000000 ] - [ -0.0010729000000000, 0.0008822800000000, 0.0001988900000000 ] - [ -0.0006123600000000, 0.0014347400000000, -0.0001996300000000 ] - [ 0.0001162800000000, 0.0012117400000000, -0.0001925400000000 ] - [ 0.0001161600000000, 0.0012117000000000, -0.0002061300000000 ] - [ -0.0014289100000000, -0.0012885700000000, -0.0001997600000000 ] - [ -0.0013972700000000, -0.0012710300000000, -0.0001987100000000 ] - [ -0.0013970900000000, -0.0012708700000000, -0.0002004200000000 ] - [ 0.0065884500000000, 0.0019627100000000, -0.0022541800000000 ] - [ 0.0065868700000000, 0.0019625900000000, 0.0023948200000000 ] - [ 0.0000617700000000, -0.0003095300000000, 0.0000714400000000 ] - [ 0.0004705200000000, 0.0005965500000000, 0.0000504700000000 ] - [ 0.0004705900000000, 0.0005966100000000, 0.0000920800000000 ] - [ 0.0005604700000000, 0.0007385900000000, 0.0000712000000000 ] - [ -0.0023158500000000, 0.0008948100000000, -0.0000713100000000 ] - [ -0.0015446700000000, 0.0007491200000000, 0.0007043200000000 ] - [ -0.0015450800000000, 0.0007490200000000, -0.0008476400000000 ] - [ 0.0004355600000000, -0.0005491100000000, -0.0000711700000000 ] - [ 0.0003771900000000, -0.0005919300000000, -0.0000591700000000 ] - [ 0.0003773100000000, -0.0005919200000000, -0.0000829400000000 ] - [ -0.0008127100000000, -0.0011113100000000, 0.0000523700000000 ] - [ 0.0001675000000000, -0.0008069900000000, -0.0006952300000000 ] - [ 0.0001674400000000, -0.0008070200000000, 0.0008007000000000 ] - [ -0.0016101700000000, 0.0004753100000000, 0.0000525200000000 ] - [ -0.0015908100000000, 0.0005362900000000, 0.0001023700000000 ] - [ -0.0015908400000000, 0.0005362500000000, 0.0000026800000000 ] - [ 0.0119389800000000, -0.0003861700000000, 0.0057065300000000 ] - [ 0.0119303200000000, -0.0003839400000000, -0.0058022100000000 ] - [ 0.0023476900000000, -0.0000885800000000, -0.0000527300000000 ] - [ -0.0010713500000000, -0.0005465800000000, -0.0000269500000000 ] - [ -0.0010714500000000, -0.0005466100000000, -0.0000782400000000 ] - [ -0.0010944000000000, -0.0003136400000000, -0.0000527800000000 ] - [ 0.0037316700000000, -0.0017235600000000, -0.0001188200000000 ] - [ 0.0011247700000000, 0.0000418100000000, 0.0000370900000000 ] - [ 0.0011248800000000, 0.0000418600000000, -0.0002743000000000 ] - [ 0.0006777400000000, 0.0000153300000000, -0.0001179600000000 ] - [ 0.0007335700000000, 0.0000963400000000, -0.0000804300000000 ] - [ 0.0007335600000000, 0.0000963000000000, -0.0001555500000000 ] - [ -0.0015341200000000, 0.0000816900000000, 0.0001258100000000 ] - [ -0.0015340300000000, 0.0000816300000000, 0.0001101200000000 ] - [ -0.0009021900000000, 0.0000182600000000, 0.0001180200000000 ] - [ -0.0001237400000000, 0.0001056500000000, 0.0001169900000000 ] - [ -0.0001235600000000, 0.0001057800000000, 0.0001198200000000 ] - [ 0.0000048900000000, 0.0001087600000000, 0.0001184000000000 ]- atom: 1 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0782291100000000, -0.0078705900000000, 0.0003319300000000 ] - [ 0.0061327700000000, -0.0016811500000000, 0.0009092100000000 ] - [ 0.0061316900000000, -0.0016820700000000, -0.0002590200000000 ] - [ 0.0015980600000000, 0.0006871000000000, 0.0003229900000000 ] - [ 0.0016384500000000, 0.0008879200000000, 0.0005876500000000 ] - [ 0.0016380400000000, 0.0008870900000000, 0.0000597400000000 ] - [ -0.0029053400000000, 0.0008140000000000, -0.0003784200000000 ] - [ -0.0029053000000000, 0.0008140900000000, -0.0002704700000000 ] - [ -0.0022762800000000, 0.0008082200000000, -0.0003247100000000 ] - [ 0.0005216400000000, -0.0007664900000000, -0.0003505100000000 ] - [ 0.0005225200000000, -0.0007667500000000, -0.0002977700000000 ] - [ 0.0005686600000000, -0.0007644700000000, -0.0003249000000000 ] - [ -0.0042224200000000, -0.0081580000000000, 0.0001651800000000 ] - [ -0.0004883600000000, -0.0017930700000000, -0.0023861100000000 ] - [ -0.0004886300000000, -0.0017937300000000, 0.0027183700000000 ] - [ -0.0010241700000000, -0.0001333100000000, 0.0001657800000000 ] - [ -0.0009617900000000, -0.0002723900000000, 0.0004258600000000 ] - [ -0.0009615700000000, -0.0002719300000000, -0.0000935800000000 ] - [ -0.0023062500000000, -0.0025548500000000, -0.0020498400000000 ] - [ -0.0023057700000000, -0.0025535500000000, 0.0017191000000000 ] - [ 0.0004355700000000, -0.0011365200000000, -0.0001660600000000 ] - [ -0.0009329000000000, 0.0015176700000000, -0.0001220700000000 ] - [ -0.0009325500000000, 0.0015174900000000, -0.0002095900000000 ] - [ -0.0009859700000000, 0.0009005700000000, -0.0001664300000000 ] - [ -0.0078917100000000, 0.0031378100000000, 0.0030750900000000 ] - [ -0.0078887700000000, 0.0031368700000000, -0.0034426600000000 ] - [ -0.0023092800000000, 0.0007380400000000, -0.0001829500000000 ] - [ 0.0016657800000000, -0.0005717900000000, -0.0003686700000000 ] - [ 0.0016674200000000, -0.0005724500000000, 0.0000008300000000 ] - [ 0.0019632900000000, -0.0004319000000000, -0.0001848300000000 ] - [ -0.0132376400000000, 0.0125980200000000, 0.0001859200000000 ] - [ -0.0040754300000000, 0.0024768000000000, 0.0035002700000000 ] - [ -0.0040752000000000, 0.0024767300000000, -0.0031331600000000 ] - [ 0.0024635400000000, 0.0000755400000000, 0.0001849800000000 ] - [ 0.0023666400000000, 0.0002075900000000, 0.0001374700000000 ] - [ 0.0023656400000000, 0.0002086000000000, 0.0002306500000000 ] - [ 0.0006563000000000, 0.0004606100000000, -0.0004861600000000 ] - [ 0.0006560900000000, 0.0004603600000000, 0.0000532400000000 ] - [ 0.0003076600000000, 0.0000307100000000, -0.0002166100000000 ] - [ -0.0013312400000000, 0.0001670700000000, 0.0002164400000000 ] - [ -0.0006116700000000, 0.0000494800000000, 0.0002593700000000 ] - [ -0.0006112400000000, 0.0000496100000000, 0.0001734200000000 ] - [ -0.0009837500000000, -0.0001413900000000, 0.0005069000000000 ] - [ -0.0007917300000000, -0.0003200400000000, 0.0004451000000000 ] - [ -0.0007918100000000, -0.0003196700000000, 0.0005683300000000 ] - [ 0.0051660800000000, -0.0001688100000000, -0.0036260500000000 ] - [ 0.0051625100000000, -0.0001643000000000, 0.0026056000000000 ] - [ 0.0013132100000000, -0.0005209000000000, -0.0005073700000000 ] - [ 0.0016463600000000, 0.0006426000000000, -0.0002127100000000 ] - [ 0.0016463900000000, 0.0006425800000000, 0.0000832800000000 ] - [ 0.0013131800000000, 0.0003669900000000, -0.0000654300000000 ] - [ 0.0002692900000000, -0.0000337800000000, 0.0000387000000000 ] - [ 0.0002692600000000, -0.0000338100000000, -0.0001701400000000 ] - [ 0.0001499300000000, 0.0000083900000000, -0.0000655500000000 ] - [ -0.0108874400000000, -0.0072560300000000, 0.0000682600000000 ] - [ -0.0016837800000000, 0.0006008000000000, -0.0004404900000000 ] - [ -0.0016840800000000, 0.0006005400000000, 0.0005721600000000 ] - [ -0.0011591900000000, -0.0004082400000000, 0.0000647100000000 ] - [ -0.0003918900000000, -0.0006852300000000, 0.0008058800000000 ] - [ -0.0003920100000000, -0.0006847500000000, -0.0006751000000000 ] - [ 0.0009116700000000, -0.0011180900000000, -0.0000303700000000 ] - [ 0.0006792200000000, -0.0004678500000000, 0.0003453100000000 ] - [ 0.0006792000000000, -0.0004679500000000, -0.0004067500000000 ] - [ 0.0003028700000000, 0.0006704200000000, -0.0000304900000000 ] - [ 0.0000159400000000, 0.0003822400000000, -0.0003528200000000 ] - [ 0.0000159200000000, 0.0003823400000000, 0.0002920500000000 ] - [ 0.0001036900000000, -0.0016091100000000, 0.0003349500000000 ] - [ 0.0001034800000000, -0.0016088700000000, -0.0002737500000000 ] - [ -0.0001019700000000, -0.0008826300000000, 0.0000306400000000 ] - [ -0.0009844200000000, 0.0007184400000000, 0.0001769000000000 ] - [ -0.0009845000000000, 0.0007182900000000, -0.0001167000000000 ] - [ -0.0008954100000000, 0.0002564400000000, 0.0000300700000000 ] - [ -0.0063762800000000, 0.0029980700000000, 0.0057681200000000 ] - [ -0.0063769900000000, 0.0029986300000000, -0.0053674200000000 ] - [ 0.0006487300000000, -0.0009608000000000, 0.0001997500000000 ] - [ -0.0012939700000000, 0.0022489200000000, 0.0008088100000000 ] - [ -0.0012940300000000, 0.0022490400000000, -0.0004094500000000 ] - [ -0.0014733700000000, 0.0013510200000000, 0.0001992800000000 ] - [ 0.0031748200000000, 0.0007918700000000, -0.0001986000000000 ] - [ 0.0024310100000000, 0.0010173600000000, -0.0002075200000000 ] - [ 0.0024310100000000, 0.0010173900000000, -0.0001903000000000 ] - [ -0.0011132300000000, -0.0009391800000000, -0.0001993100000000 ] - [ -0.0011462900000000, -0.0009571700000000, -0.0002002500000000 ] - [ -0.0011462800000000, -0.0009571500000000, -0.0001985400000000 ] - [ -0.0073934300000000, -0.0031787100000000, 0.0021391400000000 ] - [ -0.0073919200000000, -0.0031784800000000, -0.0019942600000000 ] - [ -0.0011012800000000, -0.0010691000000000, 0.0000712200000000 ] - [ 0.0005672900000000, 0.0007843200000000, 0.0000902700000000 ] - [ 0.0005673300000000, 0.0007843600000000, 0.0000519900000000 ] - [ 0.0004781000000000, 0.0006424000000000, 0.0000712300000000 ] - [ 0.0012769100000000, 0.0004919000000000, -0.0000717400000000 ] - [ 0.0005078500000000, 0.0006351000000000, -0.0008528600000000 ] - [ 0.0005081300000000, 0.0006351900000000, 0.0007098500000000 ] - [ 0.0006042800000000, -0.0008295200000000, -0.0000710600000000 ] - [ 0.0006628500000000, -0.0007879100000000, -0.0000828500000000 ] - [ 0.0006628300000000, -0.0007879700000000, -0.0000594100000000 ] - [ 0.0034647200000000, -0.0000098800000000, 0.0000528100000000 ] - [ 0.0025087100000000, -0.0003111200000000, 0.0007980200000000 ] - [ 0.0025089900000000, -0.0003111700000000, -0.0006932300000000 ] - [ -0.0010615400000000, 0.0006448200000000, 0.0000525400000000 ] - [ -0.0010810500000000, 0.0005839600000000, 0.0000024500000000 ] - [ -0.0010810300000000, 0.0005838800000000, 0.0001025500000000 ] - [ -0.0095642600000000, 0.0015804100000000, -0.0062041000000000 ] - [ -0.0095556400000000, 0.0015782200000000, 0.0060891300000000 ] - [ 0.0003238000000000, 0.0012099300000000, -0.0000525600000000 ] - [ -0.0016009200000000, -0.0005715000000000, -0.0000795400000000 ] - [ -0.0016008300000000, -0.0005716900000000, -0.0000257200000000 ] - [ -0.0015789600000000, -0.0008056900000000, -0.0000524900000000 ] - [ -0.0044881400000000, 0.0017382600000000, -0.0001182400000000 ] - [ -0.0018775400000000, -0.0000564500000000, -0.0002805700000000 ] - [ -0.0018775800000000, -0.0000566300000000, 0.0000435100000000 ] - [ 0.0000686300000000, 0.0000147300000000, -0.0001179500000000 ] - [ 0.0000154800000000, -0.0000925500000000, -0.0001552600000000 ] - [ 0.0000154400000000, -0.0000926700000000, -0.0000806500000000 ] - [ 0.0007889200000000, -0.0000723100000000, 0.0001116300000000 ] - [ 0.0007885700000000, -0.0000722900000000, 0.0001243400000000 ] - [ 0.0001559400000000, -0.0000085700000000, 0.0001179900000000 ] - [ 0.0008748100000000, -0.0001096100000000, 0.0001200900000000 ] - [ 0.0008748500000000, -0.0001095700000000, 0.0001167700000000 ] - [ 0.0007489200000000, -0.0001137500000000, 0.0001183100000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0060227300000000, -0.0851940200000000, 0.0003288600000000 ] - [ -0.0000112600000000, -0.0067614300000000, -0.0001138900000000 ] - [ -0.0000122200000000, -0.0067611100000000, 0.0007637100000000 ] - [ 0.0009875300000000, 0.0032682400000000, 0.0003233300000000 ] - [ 0.0007924200000000, 0.0019486100000000, 0.0001161200000000 ] - [ 0.0007915200000000, 0.0019472900000000, 0.0005317100000000 ] - [ -0.0008625500000000, -0.0001275000000000, -0.0003724300000000 ] - [ -0.0008631300000000, -0.0001274900000000, -0.0002761900000000 ] - [ -0.0008691600000000, 0.0002774700000000, -0.0003246600000000 ] - [ 0.0009055400000000, 0.0001447600000000, -0.0003153700000000 ] - [ 0.0009064500000000, 0.0001444800000000, -0.0003322900000000 ] - [ 0.0009083100000000, -0.0000959100000000, -0.0003247500000000 ] - [ 0.0088276900000000, 0.0047932600000000, 0.0001670900000000 ] - [ 0.0016647800000000, 0.0013357900000000, 0.0017162200000000 ] - [ 0.0016646700000000, 0.0013346100000000, -0.0013849600000000 ] - [ -0.0013631300000000, 0.0008503100000000, 0.0001656200000000 ] - [ -0.0008185900000000, 0.0004422600000000, 0.0005434500000000 ] - [ -0.0008186800000000, 0.0004427900000000, -0.0002115100000000 ] - [ 0.0029737300000000, -0.0033857100000000, 0.0023965100000000 ] - [ 0.0029733600000000, -0.0033844900000000, -0.0027281900000000 ] - [ 0.0014821900000000, -0.0014314100000000, -0.0001661800000000 ] - [ -0.0015391100000000, 0.0022809600000000, 0.0005048400000000 ] - [ -0.0015398600000000, 0.0022811000000000, -0.0008369000000000 ] - [ -0.0010204000000000, 0.0013070900000000, -0.0001659700000000 ] - [ -0.0066894600000000, -0.0033039900000000, 0.0012462100000000 ] - [ -0.0066898300000000, -0.0033034100000000, -0.0016148800000000 ] - [ -0.0028040500000000, -0.0009697800000000, -0.0001833300000000 ] - [ 0.0025697200000000, 0.0005348000000000, 0.0000806200000000 ] - [ 0.0025722200000000, 0.0005340600000000, -0.0004487100000000 ] - [ 0.0022254400000000, 0.0002553400000000, -0.0001849200000000 ] - [ -0.0138233500000000, 0.0018317100000000, 0.0001847100000000 ] - [ -0.0032142600000000, -0.0006033500000000, 0.0016222700000000 ] - [ -0.0032131000000000, -0.0006041100000000, -0.0012532100000000 ] - [ 0.0029364000000000, 0.0024253800000000, 0.0001849400000000 ] - [ 0.0021620500000000, 0.0017629400000000, 0.0007083600000000 ] - [ 0.0021601900000000, 0.0017644800000000, -0.0003406700000000 ] - [ -0.0007118700000000, 0.0046932400000000, -0.0052843500000000 ] - [ -0.0007119800000000, 0.0046927100000000, 0.0048511900000000 ] - [ -0.0001666400000000, 0.0010901400000000, -0.0002163300000000 ] - [ -0.0003502000000000, -0.0002075100000000, 0.0002165100000000 ] - [ -0.0003150400000000, -0.0001349300000000, 0.0000984800000000 ] - [ -0.0003152400000000, -0.0001349200000000, 0.0003343900000000 ] - [ 0.0000545900000000, 0.0004741000000000, 0.0005078000000000 ] - [ 0.0001493100000000, 0.0002879300000000, 0.0007758800000000 ] - [ 0.0001490400000000, 0.0002877800000000, 0.0002387800000000 ] - [ 0.0006681200000000, 0.0059060700000000, 0.0035650500000000 ] - [ 0.0006684700000000, 0.0058971500000000, -0.0045804500000000 ] - [ 0.0000939500000000, 0.0004635200000000, -0.0005070400000000 ] - [ -0.0005054000000000, -0.0000780500000000, 0.0003246400000000 ] - [ -0.0005055200000000, -0.0000781100000000, -0.0004560300000000 ] - [ -0.0000228600000000, 0.0000502200000000, -0.0000653100000000 ] - [ 0.0000456200000000, -0.0004942900000000, 0.0000134600000000 ] - [ 0.0000456500000000, -0.0004943800000000, -0.0001442400000000 ] - [ -0.0001238500000000, -0.0002464100000000, -0.0000655100000000 ] - [ 0.0065502900000000, 0.0117385200000000, 0.0000639200000000 ] - [ -0.0010293600000000, 0.0005639500000000, 0.0012559800000000 ] - [ -0.0010286700000000, 0.0005639700000000, -0.0011234400000000 ] - [ 0.0007861500000000, -0.0016927700000000, 0.0000655900000000 ] - [ -0.0000161400000000, -0.0005095700000000, 0.0007340900000000 ] - [ -0.0000162400000000, -0.0005090300000000, -0.0006031200000000 ] - [ 0.0015484100000000, -0.0004393900000000, -0.0000306300000000 ] - [ 0.0009917000000000, -0.0001247400000000, 0.0003907800000000 ] - [ 0.0009916300000000, -0.0001249500000000, -0.0004519800000000 ] - [ -0.0012390200000000, -0.0004058800000000, -0.0000303100000000 ] - [ -0.0004626200000000, -0.0001209500000000, 0.0001343800000000 ] - [ -0.0004626300000000, -0.0001208300000000, -0.0001951300000000 ] - [ 0.0018308300000000, -0.0010250800000000, 0.0013360600000000 ] - [ 0.0018310100000000, -0.0010249300000000, -0.0012749300000000 ] - [ 0.0006906700000000, -0.0000662000000000, 0.0000306700000000 ] - [ -0.0014559300000000, -0.0018097900000000, 0.0012288000000000 ] - [ -0.0014563000000000, -0.0018097200000000, -0.0011685400000000 ] - [ -0.0004893700000000, -0.0005024700000000, 0.0000302800000000 ] - [ -0.0028003300000000, 0.0129001000000000, 0.0095897900000000 ] - [ -0.0028012500000000, 0.0129031600000000, -0.0091927300000000 ] - [ 0.0013743000000000, -0.0004453900000000, 0.0001993000000000 ] - [ -0.0014717800000000, 0.0000411900000000, -0.0002868700000000 ] - [ -0.0014718500000000, 0.0000411500000000, 0.0006847600000000 ] - [ -0.0014510100000000, 0.0007767100000000, 0.0001989100000000 ] - [ 0.0020693300000000, 0.0011994600000000, -0.0001991700000000 ] - [ 0.0013822000000000, 0.0014047500000000, -0.0003523100000000 ] - [ 0.0013823300000000, 0.0014045200000000, -0.0000458900000000 ] - [ -0.0015234900000000, -0.0015957500000000, -0.0001996900000000 ] - [ -0.0014468300000000, -0.0015647500000000, -0.0003224000000000 ] - [ -0.0014469800000000, -0.0015645900000000, -0.0000766900000000 ] - [ 0.0028688900000000, 0.0063876200000000, -0.0017453200000000 ] - [ 0.0028679200000000, 0.0063871200000000, 0.0018876400000000 ] - [ -0.0003291600000000, 0.0001921200000000, 0.0000715300000000 ] - [ 0.0002803800000000, -0.0004880800000000, 0.0001948800000000 ] - [ 0.0002805700000000, -0.0004878600000000, -0.0000522400000000 ] - [ 0.0003806900000000, 0.0001007000000000, 0.0000711500000000 ] - [ -0.0006567200000000, 0.0022976600000000, -0.0000716900000000 ] - [ -0.0004744400000000, 0.0016995100000000, -0.0001892400000000 ] - [ -0.0004742100000000, 0.0016995700000000, 0.0000464000000000 ] - [ 0.0007209500000000, -0.0015712200000000, -0.0000710900000000 ] - [ 0.0006478700000000, -0.0013774000000000, 0.0000204900000000 ] - [ 0.0006478600000000, -0.0013774100000000, -0.0001625300000000 ] - [ 0.0011933800000000, 0.0007275500000000, 0.0000525000000000 ] - [ 0.0010537400000000, 0.0001685000000000, 0.0000297700000000 ] - [ 0.0010534200000000, 0.0001685800000000, 0.0000757000000000 ] - [ -0.0014177200000000, -0.0000023300000000, 0.0000525700000000 ] - [ -0.0013888100000000, 0.0000898000000000, 0.0001218400000000 ] - [ -0.0013889500000000, 0.0000898500000000, -0.0000168100000000 ] - [ -0.0005490300000000, 0.0050973200000000, -0.0004578200000000 ] - [ -0.0005465500000000, 0.0050963000000000, 0.0003496300000000 ] - [ 0.0009241400000000, 0.0014879300000000, -0.0000523900000000 ] - [ -0.0011664300000000, -0.0015844800000000, -0.0000165000000000 ] - [ -0.0011665800000000, -0.0015847500000000, -0.0000886800000000 ] - [ -0.0010778000000000, -0.0013998100000000, -0.0000526200000000 ] - [ -0.0012673500000000, 0.0157689800000000, -0.0001175800000000 ] - [ -0.0001295900000000, 0.0002863900000000, -0.0013179200000000 ] - [ -0.0001295300000000, 0.0002861900000000, 0.0010807700000000 ] - [ 0.0006855500000000, -0.0029155100000000, -0.0001178100000000 ] - [ 0.0004256500000000, -0.0005833400000000, -0.0002857600000000 ] - [ 0.0004256900000000, -0.0005835000000000, 0.0000498500000000 ] - [ -0.0001379400000000, 0.0004488600000000, -0.0000212100000000 ] - [ -0.0001381100000000, 0.0004488500000000, 0.0002572800000000 ] - [ -0.0003013800000000, 0.0005280700000000, 0.0001180300000000 ] - [ 0.0004284100000000, -0.0005307800000000, -0.0001527600000000 ] - [ 0.0004285000000000, -0.0005306900000000, 0.0003897200000000 ] - [ 0.0005466600000000, -0.0003492500000000, 0.0001183300000000 ]- atom: 1 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0078115900000000, 0.0834915500000000, 0.0003214600000000 ] - [ -0.0017790600000000, 0.0051847400000000, 0.0007145100000000 ] - [ -0.0017792400000000, 0.0051842200000000, -0.0000633500000000 ] - [ 0.0007872300000000, -0.0016896200000000, 0.0003225900000000 ] - [ 0.0009843000000000, -0.0003637200000000, 0.0005367800000000 ] - [ 0.0009847800000000, -0.0003663600000000, 0.0001125700000000 ] - [ -0.0009127300000000, 0.0017078400000000, -0.0002814000000000 ] - [ -0.0009122000000000, 0.0017057900000000, -0.0003684300000000 ] - [ -0.0009043100000000, 0.0013011200000000, -0.0003248900000000 ] - [ 0.0008648100000000, -0.0017262800000000, -0.0003311900000000 ] - [ 0.0008664000000000, -0.0017261300000000, -0.0003167200000000 ] - [ 0.0008642500000000, -0.0014843100000000, -0.0003243400000000 ] - [ -0.0074311000000000, -0.0035673700000000, 0.0001668300000000 ] - [ -0.0003689900000000, -0.0001345900000000, -0.0013876500000000 ] - [ -0.0003697300000000, -0.0001347800000000, 0.0017195000000000 ] - [ 0.0000669500000000, -0.0020708200000000, 0.0001649600000000 ] - [ -0.0004733100000000, -0.0016626800000000, -0.0002045800000000 ] - [ -0.0004728900000000, -0.0016613500000000, 0.0005357400000000 ] - [ -0.0016940600000000, 0.0021856900000000, -0.0027388000000000 ] - [ -0.0016955200000000, 0.0021871500000000, 0.0024091000000000 ] - [ -0.0001979700000000, 0.0002206500000000, -0.0001662100000000 ] - [ 0.0002539600000000, -0.0010565400000000, -0.0008452000000000 ] - [ 0.0002528000000000, -0.0010576100000000, 0.0005132100000000 ] - [ -0.0002690600000000, -0.0000873400000000, -0.0001648800000000 ] - [ 0.0022641700000000, 0.0039788700000000, -0.0016145800000000 ] - [ 0.0022604600000000, 0.0039805900000000, 0.0012448000000000 ] - [ -0.0016208000000000, 0.0016293300000000, -0.0001822200000000 ] - [ 0.0018479400000000, -0.0011902200000000, -0.0004468400000000 ] - [ 0.0018508900000000, -0.0011922400000000, 0.0000785300000000 ] - [ 0.0021957500000000, -0.0009085100000000, -0.0001846300000000 ] - [ 0.0092963800000000, -0.0025542800000000, 0.0001848500000000 ] - [ -0.0012107400000000, -0.0000895000000000, -0.0012644400000000 ] - [ -0.0012088300000000, -0.0000894300000000, 0.0016321700000000 ] - [ 0.0014918600000000, -0.0017560900000000, 0.0001857100000000 ] - [ 0.0022617900000000, -0.0011033200000000, -0.0003337700000000 ] - [ 0.0022601400000000, -0.0011014900000000, 0.0007021800000000 ] - [ 0.0007026800000000, -0.0046331600000000, 0.0048026600000000 ] - [ 0.0007022700000000, -0.0046330200000000, -0.0052352200000000 ] - [ 0.0001647000000000, -0.0010904100000000, -0.0002168000000000 ] - [ 0.0003559400000000, 0.0002084000000000, 0.0002161600000000 ] - [ 0.0003122200000000, 0.0001380900000000, 0.0003371600000000 ] - [ 0.0003121200000000, 0.0001380300000000, 0.0000956700000000 ] - [ -0.0000595900000000, -0.0004795400000000, 0.0005077600000000 ] - [ -0.0001500700000000, -0.0002959200000000, 0.0002402000000000 ] - [ -0.0001501600000000, -0.0002955700000000, 0.0007738200000000 ] - [ -0.0006596800000000, -0.0059375900000000, -0.0046256800000000 ] - [ -0.0006598400000000, -0.0059285400000000, 0.0036118700000000 ] - [ -0.0000892500000000, -0.0004615900000000, -0.0005076000000000 ] - [ 0.0008431900000000, 0.0001697700000000, -0.0004504400000000 ] - [ 0.0008434700000000, 0.0001691800000000, 0.0003193100000000 ] - [ 0.0003642000000000, 0.0000400400000000, -0.0000652900000000 ] - [ -0.0003777600000000, 0.0004070500000000, -0.0001433700000000 ] - [ -0.0003773500000000, 0.0004069500000000, 0.0000120000000000 ] - [ -0.0002112500000000, 0.0001612200000000, -0.0000649900000000 ] - [ -0.0066343800000000, -0.0122321700000000, 0.0000668500000000 ] - [ 0.0013713900000000, -0.0006539600000000, -0.0011379200000000 ] - [ 0.0013697300000000, -0.0006538000000000, 0.0012665300000000 ] - [ -0.0011333400000000, 0.0017837200000000, 0.0000652200000000 ] - [ -0.0003207800000000, 0.0005878800000000, -0.0006012500000000 ] - [ -0.0003210000000000, 0.0005871900000000, 0.0007315700000000 ] - [ -0.0009536300000000, 0.0003458400000000, -0.0000309400000000 ] - [ -0.0003889800000000, 0.0000274100000000, -0.0004534900000000 ] - [ -0.0003886400000000, 0.0000279400000000, 0.0003925900000000 ] - [ 0.0006374700000000, 0.0004995600000000, -0.0000306600000000 ] - [ -0.0001362700000000, 0.0002131400000000, -0.0001960100000000 ] - [ -0.0001357400000000, 0.0002128100000000, 0.0001352200000000 ] - [ -0.0012158800000000, 0.0011200300000000, -0.0012595200000000 ] - [ -0.0012163800000000, 0.0011202500000000, 0.0013204500000000 ] - [ -0.0000887300000000, 0.0001753300000000, 0.0000310400000000 ] - [ 0.0008425100000000, 0.0017005400000000, -0.0011530400000000 ] - [ 0.0008429500000000, 0.0017007200000000, 0.0012134600000000 ] - [ -0.0001144000000000, 0.0004172200000000, 0.0000302300000000 ] - [ 0.0055588600000000, -0.0154108900000000, -0.0096024800000000 ] - [ 0.0055595600000000, -0.0154148800000000, 0.0100034600000000 ] - [ 0.0011724600000000, -0.0017829900000000, 0.0001993700000000 ] - [ -0.0010734300000000, 0.0021857000000000, 0.0006890100000000 ] - [ -0.0010731900000000, 0.0021848700000000, -0.0002900300000000 ] - [ -0.0010951500000000, 0.0014450100000000, 0.0001993000000000 ] - [ 0.0004847200000000, 0.0010218900000000, -0.0001994900000000 ] - [ 0.0011629700000000, 0.0008219800000000, -0.0000472800000000 ] - [ 0.0011631700000000, 0.0008209000000000, -0.0003508500000000 ] - [ -0.0010264600000000, -0.0006264900000000, -0.0002003000000000 ] - [ -0.0011034500000000, -0.0006588100000000, -0.0000778500000000 ] - [ -0.0011029900000000, -0.0006590400000000, -0.0003209900000000 ] - [ -0.0037872500000000, -0.0076905500000000, 0.0017866600000000 ] - [ -0.0037862300000000, -0.0076905100000000, -0.0016440100000000 ] - [ -0.0007069300000000, -0.0015704500000000, 0.0000714000000000 ] - [ 0.0007598100000000, 0.0018709200000000, -0.0000508200000000 ] - [ 0.0007591500000000, 0.0018709600000000, 0.0001930500000000 ] - [ 0.0006547500000000, 0.0012775700000000, 0.0000712400000000 ] - [ -0.0003739800000000, -0.0009212000000000, -0.0000715900000000 ] - [ -0.0005648600000000, -0.0003266200000000, 0.0000499800000000 ] - [ -0.0005649200000000, -0.0003272400000000, -0.0001939300000000 ] - [ 0.0003123900000000, 0.0001935400000000, -0.0000714800000000 ] - [ 0.0003860700000000, -0.0000018800000000, -0.0001634200000000 ] - [ 0.0003860300000000, -0.0000014900000000, 0.0000217500000000 ] - [ 0.0014764000000000, -0.0018439900000000, 0.0000525900000000 ] - [ 0.0016185000000000, -0.0012902400000000, 0.0000774400000000 ] - [ 0.0016185000000000, -0.0012905300000000, 0.0000273800000000 ] - [ -0.0012514600000000, 0.0011200800000000, 0.0000523200000000 ] - [ -0.0012795000000000, 0.0010279800000000, -0.0000178300000000 ] - [ -0.0012803900000000, 0.0010278800000000, 0.0001227000000000 ] - [ 0.0031676300000000, -0.0039471900000000, 0.0003022500000000 ] - [ 0.0031658700000000, -0.0039463100000000, -0.0004050200000000 ] - [ 0.0017498300000000, -0.0003738600000000, -0.0000522100000000 ] - [ -0.0015040300000000, 0.0004651600000000, -0.0000858400000000 ] - [ -0.0015037900000000, 0.0004653000000000, -0.0000189000000000 ] - [ -0.0015912900000000, 0.0002803500000000, -0.0000529600000000 ] - [ 0.0004394000000000, -0.0148802000000000, -0.0001202800000000 ] - [ -0.0006155200000000, -0.0002897400000000, 0.0010741700000000 ] - [ -0.0006159100000000, -0.0002893700000000, -0.0013103700000000 ] - [ 0.0000598800000000, 0.0029454400000000, -0.0001186200000000 ] - [ 0.0003243700000000, 0.0005972900000000, 0.0000467300000000 ] - [ 0.0003241500000000, 0.0005975800000000, -0.0002822400000000 ] - [ -0.0006116400000000, -0.0004387100000000, 0.0002581600000000 ] - [ -0.0006118600000000, -0.0004386500000000, -0.0000227200000000 ] - [ -0.0004461200000000, -0.0005189300000000, 0.0001184200000000 ] - [ 0.0003187100000000, 0.0005157600000000, 0.0003905400000000 ] - [ 0.0003190200000000, 0.0005157100000000, -0.0001538100000000 ] - [ 0.0002036700000000, 0.0003328900000000, 0.0001184800000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0010666300000000, -0.0005635300000000, -0.0933025500000000 ] - [ -0.0002675500000000, -0.0003771800000000, 0.0178909400000000 ] - [ -0.0014829600000000, -0.0012052100000000, 0.0176436100000000 ] - [ 0.0008796200000000, 0.0007900400000000, 0.0002304500000000 ] - [ 0.0006172300000000, 0.0005835000000000, 0.0003550900000000 ] - [ 0.0011441300000000, 0.0010024000000000, 0.0003576600000000 ] - [ -0.0009301300000000, 0.0007477400000000, -0.0008915800000000 ] - [ -0.0008333700000000, 0.0008385200000000, -0.0008910800000000 ] - [ -0.0008828300000000, 0.0007920700000000, 0.0010508500000000 ] - [ 0.0009062700000000, -0.0008009600000000, -0.0003772000000000 ] - [ 0.0008539800000000, -0.0007849700000000, -0.0003786200000000 ] - [ 0.0008806000000000, -0.0007922100000000, -0.0002156500000000 ] - [ 0.0006289400000000, 0.0006045200000000, -0.0074673700000000 ] - [ 0.0021796300000000, 0.0030173600000000, 0.0035631900000000 ] - [ -0.0008668400000000, -0.0017852900000000, 0.0035614200000000 ] - [ -0.0006463100000000, -0.0006131900000000, -0.0002968600000000 ] - [ -0.0007518600000000, -0.0005069300000000, 0.0004022600000000 ] - [ -0.0005477700000000, -0.0007174100000000, 0.0004040300000000 ] - [ 0.0022625600000000, 0.0020595800000000, -0.0011897300000000 ] - [ -0.0009622600000000, -0.0033088200000000, -0.0012115800000000 ] - [ 0.0006454100000000, -0.0006140500000000, 0.0016702700000000 ] - [ -0.0012900600000000, 0.0021024500000000, -0.0007460400000000 ] - [ -0.0000040400000000, -0.0008749600000000, -0.0007425200000000 ] - [ -0.0006476600000000, 0.0006107400000000, 0.0010114700000000 ] - [ -0.0082847800000000, 0.0015104500000000, -0.0005738800000000 ] - [ 0.0038355800000000, -0.0008561900000000, -0.0005735500000000 ] - [ -0.0022138700000000, 0.0003244100000000, 0.0015909600000000 ] - [ 0.0022348500000000, -0.0002733400000000, -0.0002724400000000 ] - [ 0.0022076600000000, -0.0003804600000000, -0.0002760800000000 ] - [ 0.0022188200000000, -0.0003267700000000, -0.0000122700000000 ] - [ -0.0021900900000000, -0.0003351500000000, -0.0083150500000000 ] - [ -0.0043194300000000, 0.0028332000000000, 0.0041454600000000 ] - [ -0.0001424700000000, -0.0034734400000000, 0.0041316600000000 ] - [ 0.0022163400000000, 0.0003244000000000, -0.0000643200000000 ] - [ 0.0023317200000000, 0.0004494300000000, 0.0003037800000000 ] - [ 0.0021088000000000, 0.0002033600000000, 0.0003075600000000 ] - [ -0.0001339000000000, 0.0000962500000000, -0.0018587800000000 ] - [ 0.0001388400000000, -0.0001024600000000, -0.0018984400000000 ] - [ 0.0000001400000000, 0.0000030800000000, 0.0015361800000000 ] - [ 0.0000050800000000, -0.0000021000000000, -0.0000894400000000 ] - [ 0.0003370000000000, -0.0001045600000000, 0.0003880400000000 ] - [ -0.0003398700000000, 0.0001033600000000, 0.0003860300000000 ] - [ -0.0000015900000000, -0.0000008900000000, -0.0002756000000000 ] - [ -0.0000638500000000, 0.0002448900000000, 0.0009077700000000 ] - [ 0.0000623700000000, -0.0002441100000000, 0.0009082100000000 ] - [ 0.0038556400000000, 0.0044124900000000, -0.0016949800000000 ] - [ -0.0038818800000000, -0.0044210400000000, -0.0017055300000000 ] - [ -0.0000013700000000, -0.0000039100000000, 0.0016146300000000 ] - [ 0.0007614800000000, 0.0005204600000000, 0.0004726000000000 ] - [ -0.0004199500000000, -0.0004259500000000, 0.0004713100000000 ] - [ 0.0001707600000000, 0.0000469200000000, -0.0012012400000000 ] - [ -0.0000752100000000, 0.0000881400000000, 0.0000168300000000 ] - [ -0.0002662100000000, -0.0001840600000000, 0.0000177600000000 ] - [ -0.0001702300000000, -0.0000482700000000, -0.0002180100000000 ] - [ 0.0001545400000000, -0.0000598200000000, 0.0059253000000000 ] - [ 0.0013536800000000, 0.0004776900000000, -0.0016083400000000 ] - [ -0.0010034000000000, -0.0005682200000000, -0.0016099300000000 ] - [ -0.0001686800000000, 0.0000538200000000, 0.0026048000000000 ] - [ -0.0004943600000000, 0.0010852600000000, -0.0012013100000000 ] - [ 0.0001499500000000, -0.0009876000000000, -0.0012036000000000 ] - [ 0.0002949900000000, -0.0000444800000000, 0.0018279500000000 ] - [ -0.0002559900000000, 0.0004230400000000, -0.0008702000000000 ] - [ 0.0008643100000000, -0.0005149500000000, -0.0008734900000000 ] - [ -0.0003062300000000, 0.0000460900000000, 0.0004776200000000 ] - [ -0.0001338700000000, 0.0002914700000000, -0.0002908600000000 ] - [ -0.0004687200000000, -0.0001964700000000, -0.0002919900000000 ] - [ 0.0004444200000000, 0.0005641700000000, 0.0007478300000000 ] - [ 0.0001527800000000, -0.0004793800000000, 0.0007510100000000 ] - [ 0.0003019700000000, 0.0000454600000000, -0.0013247200000000 ] - [ -0.0006312800000000, 0.0003994300000000, 0.0005468600000000 ] - [ 0.0000344600000000, -0.0004926400000000, 0.0005530100000000 ] - [ -0.0003034900000000, -0.0000465100000000, -0.0008016700000000 ] - [ -0.0041531100000000, 0.0080598600000000, 0.0142862700000000 ] - [ 0.0069647900000000, -0.0107165100000000, 0.0146516500000000 ] - [ 0.0012675700000000, -0.0011075100000000, -0.0023032600000000 ] - [ -0.0011824500000000, 0.0015801700000000, 0.0006006200000000 ] - [ -0.0013649100000000, 0.0006436800000000, 0.0006050400000000 ] - [ -0.0012724300000000, 0.0011160200000000, -0.0002720400000000 ] - [ 0.0012724300000000, 0.0011150300000000, 0.0001115500000000 ] - [ 0.0018600300000000, 0.0009670000000000, -0.0003634900000000 ] - [ 0.0006867800000000, 0.0012609800000000, -0.0003639200000000 ] - [ -0.0012724700000000, -0.0011149800000000, -0.0000606900000000 ] - [ -0.0012699200000000, -0.0011164200000000, -0.0002679500000000 ] - [ -0.0012758600000000, -0.0011135500000000, -0.0002682900000000 ] - [ -0.0031432800000000, -0.0015746800000000, 0.0083150000000000 ] - [ 0.0023968000000000, 0.0003596000000000, 0.0085927900000000 ] - [ -0.0005253300000000, -0.0006943600000000, -0.0025505600000000 ] - [ 0.0004567200000000, 0.0007046600000000, 0.0000989000000000 ] - [ 0.0005808000000000, 0.0006736100000000, 0.0001006600000000 ] - [ 0.0005190900000000, 0.0006900300000000, -0.0000641000000000 ] - [ -0.0005147200000000, 0.0006907500000000, 0.0019445500000000 ] - [ 0.0003339400000000, 0.0009634400000000, -0.0011155000000000 ] - [ -0.0013703600000000, 0.0004163000000000, -0.0011179000000000 ] - [ 0.0005189200000000, -0.0006889000000000, 0.0001569900000000 ] - [ 0.0004643100000000, -0.0006195800000000, -0.0001848100000000 ] - [ 0.0005726200000000, -0.0007595700000000, -0.0001852700000000 ] - [ 0.0013312500000000, -0.0005596100000000, 0.0023503100000000 ] - [ 0.0006014900000000, -0.0007419000000000, -0.0011085800000000 ] - [ 0.0020723500000000, -0.0003813700000000, -0.0011121700000000 ] - [ -0.0013366200000000, 0.0005594300000000, 0.0001541900000000 ] - [ -0.0013260000000000, 0.0005615900000000, 0.0000005300000000 ] - [ -0.0013467600000000, 0.0005575300000000, -0.0000000200000000 ] - [ 0.0053076500000000, 0.0015093600000000, 0.0085959600000000 ] - [ -0.0029580600000000, -0.0003148200000000, 0.0088700700000000 ] - [ 0.0013402800000000, 0.0005565700000000, -0.0034206700000000 ] - [ -0.0013135500000000, -0.0004437700000000, 0.0001331900000000 ] - [ -0.0013586500000000, -0.0006736200000000, 0.0001348500000000 ] - [ -0.0013364200000000, -0.0005584700000000, -0.0004920500000000 ] - [ -0.0003763800000000, 0.0000174600000000, 0.0054647800000000 ] - [ -0.0002579300000000, -0.0017570200000000, -0.0010219800000000 ] - [ -0.0004914100000000, 0.0017326500000000, -0.0010237800000000 ] - [ 0.0003725500000000, 0.0000182700000000, -0.0002446300000000 ] - [ 0.0004074000000000, -0.0004756900000000, -0.0001577400000000 ] - [ 0.0003423800000000, 0.0004781100000000, -0.0001579900000000 ] - [ 0.0001765000000000, -0.0001244700000000, 0.0004106900000000 ] - [ -0.0009312700000000, 0.0001323500000000, 0.0004094800000000 ] - [ -0.0003748600000000, 0.0000036200000000, -0.0004534500000000 ] - [ 0.0003503900000000, -0.0001020900000000, 0.0002642900000000 ] - [ 0.0003965500000000, 0.0000962400000000, 0.0002649100000000 ] - [ 0.0003756800000000, -0.0000041200000000, -0.0001643200000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0010570100000000, -0.0005717400000000, 0.0939493500000000 ] - [ -0.0014832100000000, -0.0012058300000000, -0.0169932100000000 ] - [ -0.0002684300000000, -0.0003784900000000, -0.0172409200000000 ] - [ 0.0008800000000000, 0.0007916000000000, 0.0004167200000000 ] - [ 0.0011450400000000, 0.0010041600000000, 0.0002906700000000 ] - [ 0.0006170300000000, 0.0005846000000000, 0.0002929600000000 ] - [ -0.0008334300000000, 0.0008399500000000, 0.0002411900000000 ] - [ -0.0009297900000000, 0.0007477100000000, 0.0002421200000000 ] - [ -0.0008826300000000, 0.0007938300000000, -0.0016984700000000 ] - [ 0.0008536700000000, -0.0007848400000000, -0.0002694100000000 ] - [ 0.0009079700000000, -0.0008012400000000, -0.0002702600000000 ] - [ 0.0008810200000000, -0.0007930100000000, -0.0004332900000000 ] - [ 0.0006282200000000, 0.0006078900000000, 0.0077991100000000 ] - [ -0.0008672600000000, -0.0017837000000000, -0.0032293500000000 ] - [ 0.0021808200000000, 0.0030164700000000, -0.0032302700000000 ] - [ -0.0006464100000000, -0.0006131600000000, 0.0006277000000000 ] - [ -0.0005475600000000, -0.0007179700000000, -0.0000719900000000 ] - [ -0.0007536500000000, -0.0005077400000000, -0.0000703000000000 ] - [ -0.0009611600000000, -0.0033112100000000, 0.0008809900000000 ] - [ 0.0022620700000000, 0.0020574000000000, 0.0008557000000000 ] - [ 0.0006464500000000, -0.0006159900000000, -0.0020008000000000 ] - [ -0.0000042100000000, -0.0008740000000000, 0.0004104200000000 ] - [ -0.0012915900000000, 0.0021034400000000, 0.0004130200000000 ] - [ -0.0006485000000000, 0.0006116900000000, -0.0013424900000000 ] - [ 0.0038368400000000, -0.0008583300000000, 0.0002054300000000 ] - [ -0.0082845300000000, 0.0015079600000000, 0.0002032000000000 ] - [ -0.0022132400000000, 0.0003226900000000, -0.0019569200000000 ] - [ 0.0022049000000000, -0.0003772400000000, -0.0000923600000000 ] - [ 0.0022361900000000, -0.0002725000000000, -0.0000959900000000 ] - [ 0.0022182200000000, -0.0003254300000000, -0.0003572000000000 ] - [ -0.0021897700000000, -0.0003332900000000, 0.0086828400000000 ] - [ -0.0001431600000000, -0.0034710000000000, -0.0037619600000000 ] - [ -0.0043185600000000, 0.0028336300000000, -0.0037773200000000 ] - [ 0.0022164000000000, 0.0003230600000000, 0.0004339400000000 ] - [ 0.0021101900000000, 0.0002015200000000, 0.0000607100000000 ] - [ 0.0023308600000000, 0.0004493600000000, 0.0000641700000000 ] - [ 0.0001389900000000, -0.0001024900000000, 0.0014660300000000 ] - [ -0.0001337800000000, 0.0000960700000000, 0.0014254600000000 ] - [ 0.0000001600000000, 0.0000032100000000, -0.0019691600000000 ] - [ 0.0000051200000000, -0.0000024900000000, 0.0005221700000000 ] - [ -0.0003397100000000, 0.0001030200000000, 0.0000467100000000 ] - [ 0.0003371700000000, -0.0001049400000000, 0.0000450400000000 ] - [ -0.0000009900000000, 0.0000002300000000, 0.0012900200000000 ] - [ 0.0000621700000000, -0.0002445000000000, 0.0001067200000000 ] - [ -0.0000640300000000, 0.0002444600000000, 0.0001069100000000 ] - [ -0.0038835200000000, -0.0044220300000000, 0.0007018000000000 ] - [ 0.0038539900000000, 0.0044110000000000, 0.0006695100000000 ] - [ -0.0000006800000000, -0.0000052200000000, -0.0026293000000000 ] - [ -0.0004186700000000, -0.0004236600000000, -0.0006038800000000 ] - [ 0.0007624400000000, 0.0005230400000000, -0.0006017900000000 ] - [ 0.0001728200000000, 0.0000495900000000, 0.0010706300000000 ] - [ -0.0002677700000000, -0.0001866900000000, -0.0001486800000000 ] - [ -0.0000767500000000, 0.0000861200000000, -0.0001477400000000 ] - [ -0.0001716200000000, -0.0000508200000000, 0.0000871400000000 ] - [ 0.0001627500000000, -0.0000571400000000, -0.0057945900000000 ] - [ -0.0010038900000000, -0.0005715200000000, 0.0017423200000000 ] - [ 0.0013530900000000, 0.0004742600000000, 0.0017382100000000 ] - [ -0.0001699300000000, 0.0000566400000000, -0.0024743300000000 ] - [ 0.0001479200000000, -0.0009857500000000, 0.0013349900000000 ] - [ -0.0004957900000000, 0.0010875000000000, 0.0013320000000000 ] - [ 0.0002963400000000, -0.0000454200000000, -0.0018894700000000 ] - [ 0.0008650800000000, -0.0005154700000000, 0.0008124300000000 ] - [ -0.0002550900000000, 0.0004224100000000, 0.0008093000000000 ] - [ -0.0003076500000000, 0.0000467100000000, -0.0005383100000000 ] - [ -0.0004695700000000, -0.0001957900000000, 0.0002315200000000 ] - [ -0.0001348100000000, 0.0002921700000000, 0.0002302400000000 ] - [ 0.0001536500000000, -0.0004793700000000, -0.0006895600000000 ] - [ 0.0004456100000000, 0.0005643100000000, -0.0006867700000000 ] - [ 0.0003026800000000, 0.0000459300000000, 0.0013861900000000 ] - [ 0.0000336900000000, -0.0004937100000000, -0.0004926000000000 ] - [ -0.0006323000000000, 0.0003985700000000, -0.0004863800000000 ] - [ -0.0003041200000000, -0.0000474800000000, 0.0008621400000000 ] - [ 0.0069626500000000, -0.0107154400000000, -0.0142587000000000 ] - [ -0.0041552900000000, 0.0080607400000000, -0.0138816800000000 ] - [ 0.0012656300000000, -0.0011112200000000, 0.0027024900000000 ] - [ -0.0013636100000000, 0.0006469100000000, -0.0002085200000000 ] - [ -0.0011812700000000, 0.0015823200000000, -0.0002010700000000 ] - [ -0.0012706800000000, 0.0011195700000000, 0.0006704100000000 ] - [ 0.0012714300000000, 0.0011175900000000, -0.0005103100000000 ] - [ 0.0006855900000000, 0.0012641400000000, -0.0000339500000000 ] - [ 0.0018587000000000, 0.0009696200000000, -0.0000343100000000 ] - [ -0.0012711800000000, -0.0011179800000000, -0.0003387500000000 ] - [ -0.0012746400000000, -0.0011167100000000, -0.0001304400000000 ] - [ -0.0012685500000000, -0.0011193500000000, -0.0001308100000000 ] - [ 0.0023982300000000, 0.0003605100000000, -0.0084538100000000 ] - [ -0.0031414900000000, -0.0015734600000000, -0.0081684500000000 ] - [ -0.0005257200000000, -0.0006939700000000, 0.0026933400000000 ] - [ 0.0005807800000000, 0.0006731700000000, 0.0000418700000000 ] - [ 0.0004570200000000, 0.0007041100000000, 0.0000435200000000 ] - [ 0.0005193600000000, 0.0006896800000000, 0.0002065700000000 ] - [ -0.0005150500000000, 0.0006898600000000, -0.0020877600000000 ] - [ -0.0013701800000000, 0.0004162200000000, 0.0009747600000000 ] - [ 0.0003338600000000, 0.0009632900000000, 0.0009724900000000 ] - [ 0.0005193900000000, -0.0006883300000000, -0.0002993200000000 ] - [ 0.0005730200000000, -0.0007592500000000, 0.0000431400000000 ] - [ 0.0004649600000000, -0.0006190700000000, 0.0000428500000000 ] - [ 0.0013316600000000, -0.0005599200000000, -0.0022455800000000 ] - [ 0.0020723600000000, -0.0003812000000000, 0.0012175900000000 ] - [ 0.0006015000000000, -0.0007415700000000, 0.0012141100000000 ] - [ -0.0013366700000000, 0.0005593400000000, -0.0000493200000000 ] - [ -0.0013467400000000, 0.0005573100000000, 0.0001052800000000 ] - [ -0.0013261300000000, 0.0005612600000000, 0.0001046900000000 ] - [ -0.0029656900000000, -0.0003133600000000, -0.0089833000000000 ] - [ 0.0053004400000000, 0.0015108800000000, -0.0086937100000000 ] - [ 0.0013408000000000, 0.0005560700000000, 0.0033157700000000 ] - [ -0.0013585400000000, -0.0006727800000000, -0.0002399400000000 ] - [ -0.0013136200000000, -0.0004431400000000, -0.0002383800000000 ] - [ -0.0013363800000000, -0.0005583300000000, 0.0003868400000000 ] - [ -0.0003754900000000, 0.0000169000000000, -0.0057021600000000 ] - [ -0.0004913400000000, 0.0017352200000000, 0.0007870100000000 ] - [ -0.0002579900000000, -0.0017546900000000, 0.0007849700000000 ] - [ 0.0003721500000000, 0.0000161000000000, 0.0000089600000000 ] - [ 0.0003420700000000, 0.0004755500000000, -0.0000780400000000 ] - [ 0.0004070400000000, -0.0004785700000000, -0.0000782200000000 ] - [ -0.0009310000000000, 0.0001294500000000, -0.0001739100000000 ] - [ 0.0001768800000000, -0.0001274100000000, -0.0001747200000000 ] - [ -0.0003746400000000, 0.0000007900000000, 0.0006901200000000 ] - [ 0.0003960300000000, 0.0000989400000000, -0.0000285400000000 ] - [ 0.0003502300000000, -0.0000995400000000, -0.0000271600000000 ] - [ 0.0003752900000000, -0.0000012800000000, 0.0004013800000000 ]- atom: 13 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0040064700000000, 0.0072907600000000, 0.0003265200000000 ] - [ 0.0002724500000000, 0.0002181100000000, -0.0012036200000000 ] - [ 0.0002749500000000, 0.0002200300000000, 0.0018521900000000 ] - [ 0.0012825200000000, 0.0000841500000000, 0.0003233600000000 ] - [ 0.0012110000000000, 0.0006223900000000, 0.0002246500000000 ] - [ 0.0012111400000000, 0.0006230000000000, 0.0004252500000000 ] - [ 0.0020784000000000, -0.0015486300000000, -0.0019386100000000 ] - [ 0.0020777200000000, -0.0015520900000000, 0.0012906900000000 ] - [ -0.0006606600000000, -0.0000423700000000, -0.0003248400000000 ] - [ 0.0011799300000000, 0.0001043100000000, -0.0009672100000000 ] - [ 0.0011818000000000, 0.0001012300000000, 0.0003193600000000 ] - [ 0.0012357000000000, -0.0004164500000000, -0.0003231900000000 ] - [ -0.0550565600000000, -0.0052359900000000, 0.0001656000000000 ] - [ -0.0064293600000000, -0.0004923200000000, -0.0000224700000000 ] - [ -0.0064287400000000, -0.0004940300000000, 0.0003493000000000 ] - [ 0.0016796800000000, -0.0009047500000000, 0.0001646500000000 ] - [ 0.0006897700000000, -0.0008444300000000, 0.0002401100000000 ] - [ 0.0006890400000000, -0.0008417000000000, 0.0000909500000000 ] - [ 0.0017934400000000, -0.0005628700000000, -0.0001891000000000 ] - [ 0.0017913200000000, -0.0005624300000000, -0.0001415000000000 ] - [ 0.0014161000000000, -0.0006981300000000, -0.0001656600000000 ] - [ -0.0015767100000000, 0.0006852200000000, -0.0003144800000000 ] - [ -0.0015766600000000, 0.0006858400000000, -0.0000185400000000 ] - [ -0.0013989200000000, 0.0006651500000000, -0.0001648600000000 ] - [ -0.0061055300000000, -0.0004295900000000, -0.0026376400000000 ] - [ -0.0061113200000000, -0.0004290900000000, 0.0022656400000000 ] - [ -0.0032033200000000, 0.0001250800000000, -0.0001817700000000 ] - [ 0.0027686600000000, -0.0002903000000000, -0.0002200100000000 ] - [ 0.0027738400000000, -0.0002905100000000, -0.0001489200000000 ] - [ 0.0026057200000000, -0.0002977500000000, -0.0001844400000000 ] - [ 0.0038691900000000, 0.0007897900000000, 0.0001830700000000 ] - [ -0.0002707100000000, -0.0002331400000000, -0.0003820100000000 ] - [ -0.0002644100000000, -0.0002328600000000, 0.0007527900000000 ] - [ -0.0000774000000000, -0.0039302100000000, 0.0001847200000000 ] - [ 0.0014119800000000, -0.0013196800000000, -0.0010595700000000 ] - [ 0.0014121000000000, -0.0013189800000000, 0.0014257100000000 ] - [ 0.0025800200000000, -0.0038143500000000, 0.0043072500000000 ] - [ 0.0025793800000000, -0.0038139900000000, -0.0047400600000000 ] - [ 0.0002992800000000, -0.0008509300000000, -0.0002162300000000 ] - [ 0.0001656800000000, -0.0005044700000000, 0.0002162900000000 ] - [ -0.0000707800000000, -0.0002868600000000, 0.0005015700000000 ] - [ -0.0000709700000000, -0.0002875100000000, -0.0000684200000000 ] - [ 0.0096027000000000, 0.0067537300000000, 0.0005070500000000 ] - [ 0.0031442200000000, 0.0029662300000000, 0.0044327700000000 ] - [ 0.0031376500000000, 0.0029615500000000, -0.0034150300000000 ] - [ 0.0004270200000000, 0.0004740600000000, -0.0003960500000000 ] - [ 0.0004281100000000, 0.0004748300000000, -0.0006198100000000 ] - [ 0.0000671000000000, 0.0001389200000000, -0.0005070000000000 ] - [ 0.0096353500000000, 0.0004619800000000, -0.0056020100000000 ] - [ 0.0096392000000000, 0.0004665400000000, 0.0054766500000000 ] - [ 0.0009794600000000, 0.0000743100000000, -0.0000656900000000 ] - [ -0.0020429700000000, -0.0009527900000000, 0.0002824100000000 ] - [ -0.0020421800000000, -0.0009527800000000, -0.0004111000000000 ] - [ -0.0006074500000000, -0.0002526800000000, -0.0000659500000000 ] - [ -0.0005365400000000, -0.0002989100000000, 0.0000659200000000 ] - [ -0.0002423800000000, -0.0001886000000000, 0.0002594300000000 ] - [ -0.0002422900000000, -0.0001884200000000, -0.0001284900000000 ] - [ 0.0002731600000000, -0.0001919900000000, 0.0000658700000000 ] - [ 0.0001624300000000, -0.0001469500000000, 0.0003138600000000 ] - [ 0.0001627600000000, -0.0001472100000000, -0.0001831500000000 ] - [ 0.0007003200000000, 0.0004415200000000, -0.0000307100000000 ] - [ 0.0005568000000000, 0.0002811200000000, -0.0001060500000000 ] - [ 0.0005568400000000, 0.0002811700000000, 0.0000448500000000 ] - [ -0.0006150800000000, 0.0000523100000000, -0.0000299100000000 ] - [ -0.0005813500000000, 0.0000968300000000, -0.0000794100000000 ] - [ -0.0005809800000000, 0.0000968600000000, 0.0000184600000000 ] - [ -0.0012156100000000, 0.0008089000000000, -0.0009497500000000 ] - [ -0.0012160400000000, 0.0008086500000000, 0.0010111700000000 ] - [ -0.0004153400000000, 0.0002678300000000, 0.0000305300000000 ] - [ 0.0031108000000000, -0.0011459100000000, 0.0004028200000000 ] - [ 0.0031112000000000, -0.0011434200000000, -0.0003410800000000 ] - [ 0.0002247600000000, -0.0001932600000000, 0.0000298700000000 ] - [ 0.0012933400000000, -0.0020753400000000, -0.0001814100000000 ] - [ 0.0012927600000000, -0.0020766200000000, 0.0005811500000000 ] - [ 0.0017014700000000, -0.0013590100000000, 0.0001993900000000 ] - [ -0.0015697900000000, 0.0011489400000000, 0.0001089700000000 ] - [ -0.0015697600000000, 0.0011488100000000, 0.0002889800000000 ] - [ -0.0015372100000000, 0.0011201400000000, 0.0001988200000000 ] - [ -0.0019390500000000, 0.0016097500000000, -0.0001997400000000 ] - [ -0.0005426700000000, 0.0014338100000000, -0.0010113900000000 ] - [ -0.0005417800000000, 0.0014329000000000, 0.0006117900000000 ] - [ -0.0010100300000000, -0.0038355300000000, -0.0002005500000000 ] - [ -0.0001583900000000, -0.0024049000000000, -0.0008642500000000 ] - [ -0.0001579100000000, -0.0024039200000000, 0.0004632000000000 ] - [ 0.0061873000000000, 0.0025831300000000, 0.0033905400000000 ] - [ 0.0061858800000000, 0.0025823900000000, -0.0032474400000000 ] - [ 0.0002835800000000, -0.0003164500000000, 0.0000711300000000 ] - [ -0.0000052700000000, 0.0006760900000000, -0.0000711800000000 ] - [ -0.0000052100000000, 0.0006762200000000, 0.0002138200000000 ] - [ 0.0002071900000000, 0.0006284600000000, 0.0000710500000000 ] - [ -0.0020874600000000, 0.0010901400000000, -0.0000716500000000 ] - [ -0.0013631800000000, 0.0011668200000000, -0.0003015500000000 ] - [ -0.0013634300000000, 0.0011666400000000, 0.0001585000000000 ] - [ 0.0013978600000000, -0.0014061200000000, -0.0000708300000000 ] - [ 0.0011889500000000, -0.0011345300000000, -0.0001003100000000 ] - [ 0.0011892200000000, -0.0011345000000000, -0.0000417900000000 ] - [ 0.0069527400000000, -0.0010738300000000, 0.0000511700000000 ] - [ 0.0027119500000000, 0.0004192300000000, -0.0004796800000000 ] - [ 0.0027122700000000, 0.0004191100000000, 0.0005849300000000 ] - [ -0.0017644200000000, 0.0002729400000000, 0.0000527500000000 ] - [ -0.0017031400000000, 0.0003714600000000, -0.0000545600000000 ] - [ -0.0017033300000000, 0.0003708800000000, 0.0001594100000000 ] - [ 0.0001269400000000, 0.0000010600000000, -0.0009335900000000 ] - [ 0.0001268100000000, 0.0000012900000000, 0.0008280300000000 ] - [ 0.0007469200000000, 0.0004611400000000, -0.0000525000000000 ] - [ -0.0013465000000000, 0.0000529700000000, -0.0002407600000000 ] - [ -0.0013465700000000, 0.0000528600000000, 0.0001358400000000 ] - [ -0.0015089500000000, -0.0001591600000000, -0.0000529300000000 ] - [ -0.0005635100000000, 0.0019888900000000, -0.0001185600000000 ] - [ -0.0007350400000000, 0.0000186200000000, 0.0008569500000000 ] - [ -0.0007348900000000, 0.0000187300000000, -0.0010936800000000 ] - [ -0.0002271000000000, 0.0023053600000000, -0.0001181700000000 ] - [ 0.0001852700000000, 0.0001806200000000, -0.0000317900000000 ] - [ 0.0001852000000000, 0.0001801100000000, -0.0002041500000000 ] - [ -0.0003386100000000, 0.0009194100000000, 0.0004755900000000 ] - [ -0.0003388000000000, 0.0009189600000000, -0.0002395100000000 ] - [ -0.0004171100000000, 0.0002146400000000, 0.0001178600000000 ] - [ 0.0003506500000000, 0.0000103000000000, 0.0001346800000000 ] - [ 0.0003510600000000, 0.0000107500000000, 0.0001023200000000 ] - [ 0.0003848600000000, -0.0000667300000000, 0.0001180700000000 ]- atom: 13 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0057900200000000, -0.0089570000000000, 0.0003251400000000 ] - [ -0.0020211300000000, -0.0018063500000000, 0.0018446600000000 ] - [ -0.0020210400000000, -0.0018061400000000, -0.0011944200000000 ] - [ 0.0005000700000000, 0.0015046200000000, 0.0003238100000000 ] - [ 0.0005646600000000, 0.0009584600000000, 0.0004283500000000 ] - [ 0.0005638800000000, 0.0009575700000000, 0.0002204200000000 ] - [ -0.0038294300000000, 0.0031073300000000, 0.0012846900000000 ] - [ -0.0038288000000000, 0.0031071000000000, -0.0019331300000000 ] - [ -0.0011000700000000, 0.0016295600000000, -0.0003251300000000 ] - [ 0.0005923100000000, -0.0016822500000000, 0.0003186700000000 ] - [ 0.0005933200000000, -0.0016819700000000, -0.0009661100000000 ] - [ 0.0005384600000000, -0.0011614800000000, -0.0003247000000000 ] - [ 0.0555146600000000, 0.0065665300000000, 0.0001635200000000 ] - [ 0.0076958000000000, 0.0017066300000000, 0.0003178300000000 ] - [ 0.0076962400000000, 0.0017057500000000, 0.0000154200000000 ] - [ -0.0029688700000000, -0.0003169500000000, 0.0001655100000000 ] - [ -0.0019712400000000, -0.0003808300000000, 0.0000971800000000 ] - [ -0.0019715300000000, -0.0003797200000000, 0.0002352100000000 ] - [ -0.0004948100000000, -0.0006674500000000, -0.0001443100000000 ] - [ -0.0004960600000000, -0.0006663500000000, -0.0001866100000000 ] - [ -0.0001154000000000, -0.0005294800000000, -0.0001661200000000 ] - [ 0.0002849400000000, 0.0005429100000000, -0.0000196600000000 ] - [ 0.0002844300000000, 0.0005428700000000, -0.0003113300000000 ] - [ 0.0001111000000000, 0.0005566800000000, -0.0001661600000000 ] - [ 0.0016664400000000, 0.0010824500000000, 0.0022649400000000 ] - [ 0.0016650700000000, 0.0010822700000000, -0.0026332600000000 ] - [ -0.0012285300000000, 0.0005201800000000, -0.0001838300000000 ] - [ 0.0016633900000000, -0.0003600300000000, -0.0001482200000000 ] - [ 0.0016659700000000, -0.0003604000000000, -0.0002204700000000 ] - [ 0.0018282400000000, -0.0003487700000000, -0.0001845400000000 ] - [ -0.0083174500000000, -0.0014546900000000, 0.0001842700000000 ] - [ -0.0041575800000000, -0.0004237800000000, 0.0007590000000000 ] - [ -0.0041559500000000, -0.0004242400000000, -0.0003903300000000 ] - [ 0.0045162700000000, 0.0045535300000000, 0.0001847700000000 ] - [ 0.0030121100000000, 0.0019602900000000, 0.0014174200000000 ] - [ 0.0030100700000000, 0.0019617700000000, -0.0010496900000000 ] - [ -0.0025626900000000, 0.0038572700000000, -0.0047899600000000 ] - [ -0.0025618000000000, 0.0038565900000000, 0.0043572100000000 ] - [ -0.0002932000000000, 0.0008556900000000, -0.0002164300000000 ] - [ -0.0001606300000000, 0.0005043200000000, 0.0002167000000000 ] - [ 0.0000742500000000, 0.0002861000000000, -0.0000675000000000 ] - [ 0.0000746400000000, 0.0002863500000000, 0.0005002900000000 ] - [ -0.0094811000000000, -0.0066616100000000, 0.0005087200000000 ] - [ -0.0031283600000000, -0.0029740000000000, -0.0034060900000000 ] - [ -0.0031220900000000, -0.0029692500000000, 0.0044170400000000 ] - [ -0.0004166600000000, -0.0004730500000000, -0.0006185900000000 ] - [ -0.0004168700000000, -0.0004726200000000, -0.0003947700000000 ] - [ -0.0000605600000000, -0.0001382400000000, -0.0005077900000000 ] - [ -0.0089768300000000, -0.0002808300000000, 0.0051210400000000 ] - [ -0.0089807200000000, -0.0002849100000000, -0.0052570800000000 ] - [ -0.0006341000000000, 0.0000183300000000, -0.0000653400000000 ] - [ 0.0017024800000000, 0.0008530700000000, -0.0004053000000000 ] - [ 0.0017022600000000, 0.0008527400000000, 0.0002726000000000 ] - [ 0.0002728100000000, 0.0001598600000000, -0.0000653800000000 ] - [ 0.0008755000000000, 0.0002075700000000, 0.0000653100000000 ] - [ 0.0005804800000000, 0.0000946000000000, -0.0001299900000000 ] - [ 0.0005802800000000, 0.0000945800000000, 0.0002606900000000 ] - [ -0.0006055000000000, 0.0002808900000000, 0.0000653900000000 ] - [ -0.0004947900000000, 0.0002385900000000, -0.0001815700000000 ] - [ -0.0004948200000000, 0.0002384700000000, 0.0003122400000000 ] - [ -0.0000915500000000, -0.0005315800000000, -0.0000306300000000 ] - [ 0.0000521400000000, -0.0003709700000000, 0.0000446800000000 ] - [ 0.0000521100000000, -0.0003708900000000, -0.0001056500000000 ] - [ 0.0000157100000000, 0.0000395700000000, -0.0000302100000000 ] - [ -0.0000187900000000, -0.0000055500000000, 0.0000183600000000 ] - [ -0.0000187200000000, -0.0000054900000000, -0.0000789600000000 ] - [ 0.0018284800000000, -0.0007181100000000, 0.0010185600000000 ] - [ 0.0018286700000000, -0.0007181200000000, -0.0009572600000000 ] - [ 0.0010198700000000, -0.0001755400000000, 0.0000307400000000 ] - [ -0.0037364800000000, 0.0011496700000000, -0.0004141900000000 ] - [ -0.0037365900000000, 0.0011477400000000, 0.0004733700000000 ] - [ -0.0008230900000000, 0.0000968600000000, 0.0000304400000000 ] - [ 0.0012550500000000, -0.0001546100000000, 0.0005819900000000 ] - [ 0.0012553800000000, -0.0001545200000000, -0.0001838000000000 ] - [ 0.0008549800000000, -0.0008692900000000, 0.0001996200000000 ] - [ -0.0009764900000000, 0.0010767700000000, 0.0002901900000000 ] - [ -0.0009767900000000, 0.0010769300000000, 0.0001082200000000 ] - [ -0.0010089200000000, 0.0011060700000000, 0.0001993100000000 ] - [ 0.0044904300000000, 0.0006167900000000, -0.0001988100000000 ] - [ 0.0031071400000000, 0.0007884500000000, 0.0006169600000000 ] - [ 0.0031066300000000, 0.0007882400000000, -0.0010133900000000 ] - [ -0.0015288700000000, 0.0016039700000000, -0.0001987300000000 ] - [ -0.0023840800000000, 0.0001724200000000, 0.0004591500000000 ] - [ -0.0023842800000000, 0.0001719500000000, -0.0008557300000000 ] - [ -0.0072527800000000, -0.0040628300000000, -0.0033779300000000 ] - [ -0.0072513500000000, -0.0040616300000000, 0.0035202400000000 ] - [ -0.0013140900000000, -0.0010564200000000, 0.0000715300000000 ] - [ 0.0010459700000000, 0.0007003100000000, 0.0002163600000000 ] - [ 0.0010458800000000, 0.0007002700000000, -0.0000738300000000 ] - [ 0.0008318900000000, 0.0007504100000000, 0.0000712900000000 ] - [ 0.0010477800000000, 0.0002942800000000, -0.0000715800000000 ] - [ 0.0003266300000000, 0.0002137800000000, 0.0001549000000000 ] - [ 0.0003265000000000, 0.0002139200000000, -0.0002979000000000 ] - [ -0.0003482600000000, 0.0000170500000000, -0.0000711400000000 ] - [ -0.0001413000000000, -0.0002460700000000, -0.0000421200000000 ] - [ -0.0001411200000000, -0.0002461800000000, -0.0001000200000000 ] - [ -0.0041234200000000, -0.0001974600000000, 0.0000534700000000 ] - [ -0.0000315000000000, -0.0015309700000000, 0.0005766200000000 ] - [ -0.0000317000000000, -0.0015307500000000, -0.0004709100000000 ] - [ -0.0009035000000000, 0.0008463600000000, 0.0000525400000000 ] - [ -0.0009652700000000, 0.0007478000000000, 0.0001586200000000 ] - [ -0.0009653400000000, 0.0007478900000000, -0.0000534700000000 ] - [ 0.0025537100000000, 0.0011297700000000, 0.0008376700000000 ] - [ 0.0025536000000000, 0.0011299100000000, -0.0009426900000000 ] - [ 0.0019215600000000, 0.0006637300000000, -0.0000525600000000 ] - [ -0.0013249700000000, -0.0011688500000000, 0.0001375100000000 ] - [ -0.0013248100000000, -0.0011686900000000, -0.0002426800000000 ] - [ -0.0011641000000000, -0.0009562200000000, -0.0000526000000000 ] - [ -0.0006265000000000, -0.0020465400000000, -0.0001187900000000 ] - [ -0.0000152500000000, -0.0000232100000000, -0.0010975900000000 ] - [ -0.0000151800000000, -0.0000229500000000, 0.0008606200000000 ] - [ 0.0009773900000000, -0.0023241500000000, -0.0001178500000000 ] - [ 0.0005603600000000, -0.0001705600000000, -0.0001995600000000 ] - [ 0.0005603000000000, -0.0001706800000000, -0.0000361600000000 ] - [ -0.0004071700000000, -0.0009093900000000, -0.0002398900000000 ] - [ -0.0004071700000000, -0.0009095300000000, 0.0004758700000000 ] - [ -0.0003297300000000, -0.0002054900000000, 0.0001181100000000 ] - [ 0.0004045100000000, -0.0000180000000000, 0.0001026100000000 ] - [ 0.0004046700000000, -0.0000179200000000, 0.0001343100000000 ] - [ 0.0003703100000000, 0.0000590800000000, 0.0001185500000000 ]- atom: 13 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0078940700000000, 0.0033746400000000, 0.0003248400000000 ] - [ 0.0015238200000000, -0.0000555700000000, -0.0020680200000000 ] - [ 0.0015250400000000, -0.0000564200000000, 0.0027196400000000 ] - [ 0.0004063200000000, 0.0022582800000000, 0.0003249800000000 ] - [ 0.0005437400000000, 0.0018504600000000, 0.0004336600000000 ] - [ 0.0005438100000000, 0.0018498600000000, 0.0002159500000000 ] - [ -0.0028113900000000, -0.0019761600000000, 0.0023542100000000 ] - [ -0.0028094800000000, -0.0019776300000000, -0.0030008100000000 ] - [ -0.0014018400000000, -0.0000228600000000, -0.0003250400000000 ] - [ 0.0017858200000000, 0.0008870100000000, -0.0018205600000000 ] - [ 0.0017877700000000, 0.0008856400000000, 0.0011755000000000 ] - [ 0.0011682500000000, -0.0000877300000000, -0.0003257700000000 ] - [ -0.0051208300000000, -0.0568303100000000, 0.0001637600000000 ] - [ -0.0004383600000000, -0.0064657700000000, -0.0004295600000000 ] - [ -0.0004378300000000, -0.0064672300000000, 0.0007598800000000 ] - [ -0.0009437700000000, -0.0009299700000000, 0.0001653800000000 ] - [ -0.0008786000000000, -0.0009541000000000, 0.0002990000000000 ] - [ -0.0008805800000000, -0.0009521500000000, 0.0000311700000000 ] - [ 0.0005956900000000, -0.0001749300000000, 0.0000235800000000 ] - [ 0.0005932300000000, -0.0001729400000000, -0.0003527600000000 ] - [ 0.0007324300000000, -0.0003882300000000, -0.0001657500000000 ] - [ -0.0007151100000000, 0.0024840300000000, -0.0002172900000000 ] - [ -0.0007147900000000, 0.0024841200000000, -0.0001141100000000 ] - [ -0.0006978900000000, 0.0019120700000000, -0.0001655700000000 ] - [ -0.0027983400000000, 0.0048563500000000, 0.0028186500000000 ] - [ -0.0028000600000000, 0.0048543800000000, -0.0031879100000000 ] - [ -0.0023444900000000, 0.0007579900000000, -0.0001826400000000 ] - [ 0.0021902900000000, 0.0006592300000000, -0.0002660100000000 ] - [ 0.0021938000000000, 0.0006583900000000, -0.0001055000000000 ] - [ 0.0021680700000000, 0.0006042300000000, -0.0001828600000000 ] - [ -0.0025668300000000, -0.0013094700000000, 0.0001843200000000 ] - [ -0.0020976900000000, -0.0012727500000000, 0.0000306800000000 ] - [ -0.0020952100000000, -0.0012735600000000, 0.0003376900000000 ] - [ -0.0005096300000000, 0.0111923000000000, 0.0001852700000000 ] - [ 0.0022787700000000, 0.0034372300000000, 0.0028774100000000 ] - [ 0.0022756100000000, 0.0034406600000000, -0.0025105300000000 ] - [ -0.0052093200000000, -0.0021114500000000, -0.0004913700000000 ] - [ -0.0052078400000000, -0.0021120100000000, 0.0000597400000000 ] - [ -0.0005488500000000, -0.0015029400000000, -0.0002174300000000 ] - [ -0.0004617600000000, 0.0012837800000000, 0.0002161400000000 ] - [ -0.0001144700000000, 0.0009674400000000, -0.0001103300000000 ] - [ -0.0001140500000000, 0.0009677600000000, 0.0005435300000000 ] - [ 0.0060635800000000, -0.0006690500000000, 0.0005054600000000 ] - [ 0.0003257000000000, -0.0003969800000000, 0.0011070100000000 ] - [ 0.0003249200000000, -0.0003999700000000, -0.0000934700000000 ] - [ 0.0006812600000000, 0.0015054100000000, -0.0004033100000000 ] - [ 0.0006806100000000, 0.0015049900000000, -0.0006127900000000 ] - [ 0.0000877900000000, 0.0009147600000000, -0.0005067400000000 ] - [ 0.0001747600000000, 0.0029254900000000, -0.0001985700000000 ] - [ 0.0001775000000000, 0.0029204800000000, 0.0000691400000000 ] - [ 0.0006281800000000, 0.0006926000000000, -0.0000656600000000 ] - [ -0.0007538900000000, 0.0000981700000000, 0.0004027300000000 ] - [ -0.0007533100000000, 0.0000974600000000, -0.0005324600000000 ] - [ -0.0002977400000000, 0.0002252400000000, -0.0000656000000000 ] - [ -0.0003506900000000, -0.0005048600000000, 0.0000653500000000 ] - [ -0.0002259700000000, -0.0004406900000000, 0.0002717900000000 ] - [ -0.0002257800000000, -0.0004402200000000, -0.0001414300000000 ] - [ 0.0000244000000000, -0.0009708400000000, 0.0000652900000000 ] - [ -0.0000387900000000, -0.0007596700000000, 0.0002808500000000 ] - [ -0.0000383600000000, -0.0007607600000000, -0.0001503800000000 ] - [ 0.0003190000000000, -0.0018633100000000, -0.0000303500000000 ] - [ 0.0003793800000000, -0.0011684500000000, 0.0005267700000000 ] - [ 0.0003791100000000, -0.0011679700000000, -0.0005883400000000 ] - [ -0.0002812000000000, -0.0006194700000000, -0.0000307500000000 ] - [ -0.0002036200000000, -0.0006257100000000, 0.0000988000000000 ] - [ -0.0002034400000000, -0.0006265500000000, -0.0001595700000000 ] - [ 0.0001592600000000, 0.0007729000000000, -0.0000328300000000 ] - [ 0.0001594500000000, 0.0007730200000000, 0.0000941300000000 ] - [ 0.0002144400000000, 0.0008454500000000, 0.0000305800000000 ] - [ -0.0005158700000000, 0.0062539700000000, -0.0018204900000000 ] - [ -0.0005152200000000, 0.0062510200000000, 0.0018779900000000 ] - [ -0.0004440500000000, 0.0011339900000000, 0.0000301300000000 ] - [ 0.0002106300000000, -0.0025145000000000, -0.0000911000000000 ] - [ 0.0002114300000000, -0.0025143600000000, 0.0004920300000000 ] - [ 0.0014191000000000, -0.0017012400000000, 0.0001992000000000 ] - [ -0.0011980800000000, 0.0005679600000000, 0.0001771400000000 ] - [ -0.0011981000000000, 0.0005689300000000, 0.0002215500000000 ] - [ -0.0012001100000000, 0.0005994400000000, 0.0001991300000000 ] - [ 0.0015236700000000, 0.0020833400000000, -0.0001993800000000 ] - [ 0.0009609700000000, 0.0019261200000000, -0.0003763300000000 ] - [ 0.0009616200000000, 0.0019252300000000, -0.0000223700000000 ] - [ -0.0055866600000000, -0.0052376200000000, -0.0001997400000000 ] - [ -0.0020744200000000, -0.0011538000000000, -0.0006782000000000 ] - [ -0.0020752200000000, -0.0011528500000000, 0.0002791100000000 ] - [ 0.0032345800000000, 0.0103737100000000, 0.0077726200000000 ] - [ 0.0032355300000000, 0.0103727000000000, -0.0076297300000000 ] - [ -0.0002451700000000, 0.0001172700000000, 0.0000709300000000 ] - [ 0.0006277000000000, 0.0002890900000000, 0.0002199600000000 ] - [ 0.0006278700000000, 0.0002890700000000, -0.0000776800000000 ] - [ 0.0007502400000000, 0.0002162000000000, 0.0000714600000000 ] - [ -0.0000589800000000, 0.0008793000000000, -0.0000722200000000 ] - [ -0.0004025700000000, 0.0008528800000000, 0.0001855800000000 ] - [ -0.0004025500000000, 0.0008530000000000, -0.0003294800000000 ] - [ 0.0006549300000000, -0.0022829400000000, -0.0000707100000000 ] - [ 0.0004858500000000, -0.0014750200000000, -0.0002190000000000 ] - [ 0.0004847800000000, -0.0014749900000000, 0.0000771400000000 ] - [ 0.0013838500000000, 0.0043649000000000, 0.0000537400000000 ] - [ 0.0021841500000000, 0.0004162900000000, 0.0009786300000000 ] - [ 0.0021845700000000, 0.0004159100000000, -0.0008737000000000 ] - [ -0.0018418800000000, -0.0000671000000000, 0.0000526400000000 ] - [ -0.0016379400000000, 0.0001541000000000, -0.0001180800000000 ] - [ -0.0016374500000000, 0.0001543400000000, 0.0002229600000000 ] - [ 0.0003142200000000, 0.0012637500000000, -0.0001853600000000 ] - [ 0.0003147500000000, 0.0012642300000000, 0.0000804800000000 ] - [ 0.0008685600000000, 0.0012870600000000, -0.0000525400000000 ] - [ -0.0005536000000000, -0.0022229600000000, 0.0003980300000000 ] - [ -0.0005533300000000, -0.0022234300000000, -0.0005036300000000 ] - [ -0.0007581700000000, -0.0016199200000000, -0.0000521100000000 ] - [ 0.0005403800000000, 0.0047086900000000, -0.0001182600000000 ] - [ -0.0002012100000000, 0.0024492400000000, -0.0003762100000000 ] - [ -0.0002020200000000, 0.0024493600000000, 0.0001391900000000 ] - [ 0.0023322800000000, -0.0003000200000000, -0.0001183800000000 ] - [ 0.0015450800000000, -0.0000946000000000, -0.0009195500000000 ] - [ 0.0015443800000000, -0.0000940600000000, 0.0006841200000000 ] - [ 0.0004151700000000, -0.0009364300000000, -0.0004795700000000 ] - [ 0.0004143500000000, -0.0009365600000000, 0.0007158900000000 ] - [ -0.0002485900000000, -0.0002605600000000, 0.0001176500000000 ] - [ 0.0003862200000000, -0.0009876700000000, 0.0001013000000000 ] - [ 0.0003853100000000, -0.0009875400000000, 0.0001360100000000 ] - [ 0.0004549400000000, -0.0006760700000000, 0.0001183800000000 ]- atom: 13 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0097424400000000, -0.0049976600000000, 0.0003252800000000 ] - [ -0.0032907500000000, -0.0015358400000000, 0.0027326600000000 ] - [ -0.0032911500000000, -0.0015358700000000, -0.0020827600000000 ] - [ 0.0013584600000000, -0.0006775400000000, 0.0003233400000000 ] - [ 0.0012200900000000, -0.0002690700000000, 0.0002204400000000 ] - [ 0.0012197200000000, -0.0002696800000000, 0.0004279400000000 ] - [ 0.0010525300000000, 0.0035782000000000, -0.0030147500000000 ] - [ 0.0010513600000000, 0.0035778600000000, 0.0023647900000000 ] - [ -0.0003559400000000, 0.0016117600000000, -0.0003246100000000 ] - [ -0.0000136700000000, -0.0024618100000000, 0.0011561400000000 ] - [ -0.0000126100000000, -0.0024625700000000, -0.0018042700000000 ] - [ 0.0005946300000000, -0.0014942700000000, -0.0003241900000000 ] - [ 0.0066868500000000, 0.0584809600000000, 0.0001621600000000 ] - [ 0.0017611600000000, 0.0076901500000000, 0.0007213400000000 ] - [ 0.0017617000000000, 0.0076885600000000, -0.0003895900000000 ] - [ -0.0003580300000000, -0.0003052700000000, 0.0001653200000000 ] - [ -0.0004193000000000, -0.0002780100000000, 0.0000281600000000 ] - [ -0.0004199000000000, -0.0002775900000000, 0.0003043300000000 ] - [ 0.0007011100000000, -0.0010515700000000, -0.0003561300000000 ] - [ 0.0007000400000000, -0.0010507100000000, 0.0000251700000000 ] - [ 0.0005655700000000, -0.0008371400000000, -0.0001660900000000 ] - [ -0.0005760300000000, -0.0012562700000000, -0.0001201800000000 ] - [ -0.0005759800000000, -0.0012560200000000, -0.0002118400000000 ] - [ -0.0005933600000000, -0.0006910300000000, -0.0001663400000000 ] - [ -0.0016186600000000, -0.0042412500000000, -0.0032119900000000 ] - [ -0.0016208300000000, -0.0042386600000000, 0.0028422100000000 ] - [ -0.0020872800000000, -0.0001031100000000, -0.0001835800000000 ] - [ 0.0022441600000000, -0.0013153200000000, -0.0001049400000000 ] - [ 0.0022464800000000, -0.0013160300000000, -0.0002634900000000 ] - [ 0.0022649700000000, -0.0012562000000000, -0.0001847700000000 ] - [ -0.0018566600000000, 0.0006608100000000, 0.0001844500000000 ] - [ -0.0023457100000000, 0.0006168700000000, 0.0003374700000000 ] - [ -0.0023441000000000, 0.0006163400000000, 0.0000316700000000 ] - [ 0.0049002900000000, -0.0103986800000000, 0.0001839900000000 ] - [ 0.0021593400000000, -0.0027730600000000, -0.0024953700000000 ] - [ 0.0021583200000000, -0.0027719000000000, 0.0028640300000000 ] - [ 0.0051870400000000, 0.0020946300000000, 0.0000720900000000 ] - [ 0.0051853400000000, 0.0020942600000000, -0.0005050000000000 ] - [ 0.0005507800000000, 0.0015079000000000, -0.0002165300000000 ] - [ 0.0004669400000000, -0.0012824800000000, 0.0002161100000000 ] - [ 0.0001160200000000, -0.0009668000000000, 0.0005457800000000 ] - [ 0.0001159100000000, -0.0009665200000000, -0.0001126600000000 ] - [ -0.0060431400000000, 0.0006199500000000, 0.0005114000000000 ] - [ -0.0003402200000000, 0.0003659900000000, -0.0001267300000000 ] - [ -0.0003404600000000, 0.0003685400000000, 0.0011402600000000 ] - [ -0.0006845200000000, -0.0015086200000000, -0.0006143800000000 ] - [ -0.0006844500000000, -0.0015083200000000, -0.0003988100000000 ] - [ -0.0000881800000000, -0.0009128100000000, -0.0005078000000000 ] - [ 0.0001865200000000, -0.0028005600000000, 0.0000526800000000 ] - [ 0.0001837900000000, -0.0027944200000000, -0.0001843900000000 ] - [ -0.0002905000000000, -0.0005953700000000, -0.0000657000000000 ] - [ 0.0004180700000000, -0.0001862500000000, -0.0005288100000000 ] - [ 0.0004169100000000, -0.0001873300000000, 0.0003975300000000 ] - [ -0.0000406500000000, -0.0003219000000000, -0.0000658000000000 ] - [ 0.0006995800000000, 0.0004077300000000, 0.0000653200000000 ] - [ 0.0005705900000000, 0.0003402500000000, -0.0001424000000000 ] - [ 0.0005699100000000, 0.0003403800000000, 0.0002732200000000 ] - [ -0.0003633400000000, 0.0010686600000000, 0.0000654900000000 ] - [ -0.0003013800000000, 0.0008578600000000, -0.0001531700000000 ] - [ -0.0003013700000000, 0.0008576200000000, 0.0002838300000000 ] - [ 0.0002879400000000, 0.0017721800000000, -0.0000305100000000 ] - [ 0.0002273400000000, 0.0010728200000000, -0.0005906700000000 ] - [ 0.0002271400000000, 0.0010729000000000, 0.0005294400000000 ] - [ -0.0003220500000000, 0.0007136900000000, -0.0000303700000000 ] - [ -0.0004002300000000, 0.0007199700000000, -0.0001594300000000 ] - [ -0.0004000100000000, 0.0007199000000000, 0.0000987100000000 ] - [ 0.0004459800000000, -0.0006741900000000, 0.0000896900000000 ] - [ 0.0004454200000000, -0.0006741600000000, -0.0000284700000000 ] - [ 0.0003969300000000, -0.0007501100000000, 0.0000306200000000 ] - [ -0.0001943800000000, -0.0060992600000000, 0.0016471200000000 ] - [ -0.0001947000000000, -0.0060966900000000, -0.0015827900000000 ] - [ -0.0001623400000000, -0.0012311100000000, 0.0000300200000000 ] - [ 0.0023397900000000, 0.0002981800000000, 0.0004924000000000 ] - [ 0.0023394600000000, 0.0002972500000000, -0.0000951900000000 ] - [ 0.0011230100000000, -0.0005319500000000, 0.0001992700000000 ] - [ -0.0013406200000000, 0.0016613000000000, 0.0002221300000000 ] - [ -0.0013407700000000, 0.0016615700000000, 0.0001764700000000 ] - [ -0.0013390400000000, 0.0016312500000000, 0.0001992800000000 ] - [ 0.0010257100000000, 0.0001384800000000, -0.0001988500000000 ] - [ 0.0015970500000000, 0.0002977500000000, -0.0000136300000000 ] - [ 0.0015971000000000, 0.0002967200000000, -0.0003843000000000 ] - [ 0.0029830000000000, 0.0029547800000000, -0.0001992800000000 ] - [ -0.0004727200000000, -0.0010721400000000, 0.0002775500000000 ] - [ -0.0004725200000000, -0.0010719100000000, -0.0006769600000000 ] - [ -0.0044343500000000, -0.0120010000000000, -0.0079730600000000 ] - [ -0.0044345300000000, -0.0120000800000000, 0.0081156200000000 ] - [ -0.0007938400000000, -0.0014933500000000, 0.0000715400000000 ] - [ 0.0004164500000000, 0.0010864800000000, -0.0000770800000000 ] - [ 0.0004160800000000, 0.0010866700000000, 0.0002198400000000 ] - [ 0.0002933200000000, 0.0011578400000000, 0.0000711300000000 ] - [ -0.0009826000000000, 0.0004882200000000, -0.0000714700000000 ] - [ -0.0006354800000000, 0.0005185600000000, -0.0003313600000000 ] - [ -0.0006354800000000, 0.0005184500000000, 0.0001886000000000 ] - [ 0.0003893800000000, 0.0009021400000000, -0.0000709000000000 ] - [ 0.0005569400000000, 0.0001029800000000, 0.0000746900000000 ] - [ 0.0005568100000000, 0.0001029900000000, -0.0002169300000000 ] - [ 0.0014751800000000, -0.0057942800000000, 0.0000522400000000 ] - [ 0.0004837300000000, -0.0015423900000000, -0.0008770400000000 ] - [ 0.0004835200000000, -0.0015426600000000, 0.0009823000000000 ] - [ -0.0008324900000000, 0.0011847300000000, 0.0000527000000000 ] - [ -0.0010342800000000, 0.0009652600000000, 0.0002212000000000 ] - [ -0.0010344600000000, 0.0009655000000000, -0.0001161200000000 ] - [ 0.0023658800000000, -0.0001474900000000, 0.0000798800000000 ] - [ 0.0023657500000000, -0.0001474200000000, -0.0001850300000000 ] - [ 0.0018038700000000, -0.0001660000000000, -0.0000526100000000 ] - [ -0.0021144400000000, 0.0010967200000000, -0.0004947400000000 ] - [ -0.0021140600000000, 0.0010966800000000, 0.0003898700000000 ] - [ -0.0019166400000000, 0.0005030000000000, -0.0000526900000000 ] - [ -0.0013121500000000, -0.0047056200000000, -0.0001188000000000 ] - [ -0.0005302400000000, -0.0024501300000000, 0.0001294000000000 ] - [ -0.0005304800000000, -0.0024508000000000, -0.0003665600000000 ] - [ -0.0015755700000000, 0.0003050300000000, -0.0001180900000000 ] - [ -0.0007967600000000, 0.0000924900000000, 0.0006829000000000 ] - [ -0.0007973000000000, 0.0000926700000000, -0.0009187900000000 ] - [ -0.0011650000000000, 0.0009352900000000, 0.0007162600000000 ] - [ -0.0011650800000000, 0.0009352100000000, -0.0004802200000000 ] - [ -0.0004963700000000, 0.0002582700000000, 0.0001180500000000 ] - [ 0.0003609700000000, 0.0009854500000000, 0.0001365700000000 ] - [ 0.0003609800000000, 0.0009856700000000, 0.0001005800000000 ] - [ 0.0002927000000000, 0.0006759300000000, 0.0001183800000000 ]- atom: 13 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0008790600000000, -0.0007757200000000, -0.0073023500000000 ] - [ -0.0034400500000000, -0.0023538500000000, 0.0037299800000000 ] - [ 0.0016699600000000, 0.0007510200000000, 0.0037237900000000 ] - [ 0.0008819000000000, 0.0007948800000000, -0.0001320000000000 ] - [ 0.0006229600000000, 0.0011682400000000, 0.0005682000000000 ] - [ 0.0011408200000000, 0.0004189900000000, 0.0005672600000000 ] - [ -0.0027646900000000, 0.0033515700000000, -0.0013469800000000 ] - [ 0.0010021200000000, -0.0017854600000000, -0.0013576300000000 ] - [ -0.0008754800000000, 0.0007946600000000, 0.0015173300000000 ] - [ 0.0008342800000000, -0.0014677500000000, -0.0008925400000000 ] - [ 0.0009252900000000, -0.0001176800000000, -0.0008984200000000 ] - [ 0.0008810900000000, -0.0007919700000000, 0.0008589100000000 ] - [ 0.0005376300000000, 0.0007236700000000, -0.0854715200000000 ] - [ 0.0008193900000000, 0.0011882100000000, 0.0185043800000000 ] - [ 0.0004819500000000, 0.0000393400000000, 0.0182542900000000 ] - [ -0.0006479200000000, -0.0006144600000000, -0.0008260400000000 ] - [ -0.0005763100000000, -0.0004786000000000, 0.0007195200000000 ] - [ -0.0007203900000000, -0.0007504500000000, 0.0007205500000000 ] - [ 0.0006710700000000, -0.0004235700000000, -0.0004801400000000 ] - [ 0.0006257700000000, -0.0008036000000000, -0.0004797300000000 ] - [ 0.0006499400000000, -0.0006135200000000, 0.0004747300000000 ] - [ -0.0007947100000000, 0.0006620000000000, -0.0005310400000000 ] - [ -0.0005006900000000, 0.0005654600000000, -0.0005311500000000 ] - [ -0.0006479500000000, 0.0006111600000000, 0.0007056900000000 ] - [ -0.0049278200000000, 0.0032282300000000, -0.0010629900000000 ] - [ 0.0005092100000000, -0.0025800200000000, -0.0010821100000000 ] - [ -0.0022197700000000, 0.0003234700000000, 0.0014090600000000 ] - [ 0.0022423600000000, -0.0003440100000000, -0.0002383600000000 ] - [ 0.0022015900000000, -0.0003090100000000, -0.0002394000000000 ] - [ 0.0022214200000000, -0.0003255300000000, -0.0000462500000000 ] - [ -0.0022075900000000, -0.0003245100000000, -0.0000830300000000 ] - [ -0.0025934400000000, -0.0002544300000000, 0.0004306000000000 ] - [ -0.0018548000000000, -0.0004002800000000, 0.0004290700000000 ] - [ 0.0022237200000000, 0.0003122100000000, -0.0062623900000000 ] - [ 0.0017936300000000, 0.0031776800000000, 0.0032445100000000 ] - [ 0.0026495300000000, -0.0025115300000000, 0.0032370500000000 ] - [ 0.0053125200000000, 0.0005339700000000, -0.0013320400000000 ] - [ -0.0053297400000000, -0.0005503800000000, -0.0013502500000000 ] - [ -0.0000002300000000, 0.0000012600000000, 0.0020111900000000 ] - [ 0.0000003900000000, 0.0000016700000000, -0.0002356500000000 ] - [ 0.0002293700000000, -0.0000753700000000, 0.0004223300000000 ] - [ -0.0002260400000000, 0.0000764900000000, 0.0004249500000000 ] - [ -0.0000103600000000, 0.0000042800000000, -0.0089593400000000 ] - [ 0.0022175200000000, 0.0018229000000000, 0.0048803000000000 ] - [ -0.0022071300000000, -0.0018330300000000, 0.0048900000000000 ] - [ 0.0008076500000000, 0.0006974100000000, -0.0008279500000000 ] - [ -0.0008087700000000, -0.0007006400000000, -0.0008262000000000 ] - [ -0.0000004200000000, -0.0000006800000000, 0.0001237400000000 ] - [ -0.0029959300000000, -0.0003676200000000, 0.0091612400000000 ] - [ 0.0036722200000000, 0.0005542900000000, 0.0094932500000000 ] - [ 0.0001624200000000, 0.0000445300000000, -0.0034175600000000 ] - [ 0.0012821200000000, 0.0009860200000000, 0.0002738700000000 ] - [ -0.0016244000000000, -0.0010815000000000, 0.0002710700000000 ] - [ -0.0001701300000000, -0.0000473600000000, -0.0007563100000000 ] - [ 0.0001709000000000, -0.0000459300000000, 0.0006859200000000 ] - [ 0.0006186000000000, 0.0001170100000000, -0.0002411700000000 ] - [ -0.0002742300000000, -0.0002110300000000, -0.0002409500000000 ] - [ -0.0001692500000000, 0.0000464700000000, 0.0011998000000000 ] - [ -0.0003228300000000, 0.0003613900000000, -0.0005489200000000 ] - [ -0.0000161600000000, -0.0002667800000000, -0.0005501500000000 ] - [ 0.0003019400000000, -0.0000469700000000, 0.0008838500000000 ] - [ 0.0002702200000000, 0.0002467500000000, -0.0005062900000000 ] - [ 0.0003339000000000, -0.0003386700000000, -0.0005075500000000 ] - [ -0.0003006000000000, 0.0000460700000000, 0.0001574300000000 ] - [ -0.0002263200000000, 0.0000669200000000, -0.0001032700000000 ] - [ -0.0003745200000000, 0.0000244000000000, -0.0001042400000000 ] - [ 0.0006396900000000, 0.0000143100000000, 0.0005331300000000 ] - [ -0.0000392700000000, 0.0000818200000000, 0.0005384400000000 ] - [ 0.0003031800000000, 0.0000462400000000, -0.0007873700000000 ] - [ -0.0010190500000000, -0.0004642100000000, 0.0068622000000000 ] - [ 0.0003362700000000, 0.0006047600000000, 0.0070867600000000 ] - [ -0.0003003000000000, -0.0000503800000000, -0.0025303000000000 ] - [ -0.0003844700000000, -0.0024406200000000, 0.0007237400000000 ] - [ 0.0029353000000000, 0.0002220800000000, 0.0007212600000000 ] - [ 0.0012757200000000, -0.0011118200000000, -0.0006527800000000 ] - [ -0.0013438600000000, 0.0011956000000000, 0.0003169100000000 ] - [ -0.0012015200000000, 0.0010312000000000, 0.0003166000000000 ] - [ -0.0012725000000000, 0.0011135000000000, 0.0000046700000000 ] - [ 0.0012594100000000, 0.0011186300000000, 0.0021348100000000 ] - [ 0.0002785900000000, 0.0014297500000000, -0.0011958600000000 ] - [ 0.0022858200000000, 0.0007921200000000, -0.0012072500000000 ] - [ -0.0012642600000000, -0.0011096300000000, 0.0016989300000000 ] - [ -0.0018029100000000, -0.0024150300000000, -0.0012280600000000 ] - [ -0.0007507900000000, 0.0001828200000000, -0.0012251100000000 ] - [ 0.0024907500000000, 0.0047080800000000, 0.0116868300000000 ] - [ -0.0037395900000000, -0.0064576900000000, 0.0120814300000000 ] - [ -0.0005147500000000, -0.0006848700000000, -0.0034831000000000 ] - [ 0.0006328100000000, 0.0006175000000000, 0.0003120600000000 ] - [ 0.0004062400000000, 0.0007617600000000, 0.0003116400000000 ] - [ 0.0005195600000000, 0.0006898600000000, -0.0004155800000000 ] - [ -0.0005190600000000, 0.0006901700000000, 0.0007145000000000 ] - [ -0.0007186600000000, 0.0010241300000000, -0.0005008700000000 ] - [ -0.0003163600000000, 0.0003548800000000, -0.0004994100000000 ] - [ 0.0005190400000000, -0.0006914900000000, 0.0001339400000000 ] - [ 0.0004926000000000, -0.0012861200000000, -0.0002057600000000 ] - [ 0.0005473800000000, -0.0000935700000000, -0.0002061000000000 ] - [ 0.0013482100000000, -0.0005795800000000, 0.0047796600000000 ] - [ 0.0006610600000000, 0.0002455400000000, -0.0013618300000000 ] - [ 0.0020104400000000, -0.0013590700000000, -0.0013613000000000 ] - [ -0.0013343600000000, 0.0005594200000000, 0.0003765300000000 ] - [ -0.0013747500000000, 0.0004084300000000, -0.0001224600000000 ] - [ -0.0012954700000000, 0.0007093900000000, -0.0001231300000000 ] - [ 0.0008253000000000, 0.0005570900000000, 0.0005943500000000 ] - [ 0.0018545300000000, 0.0005568500000000, 0.0005937500000000 ] - [ 0.0013364600000000, 0.0005602700000000, -0.0012876700000000 ] - [ -0.0014552900000000, 0.0001610600000000, 0.0006159300000000 ] - [ -0.0012140400000000, -0.0012806400000000, 0.0006117000000000 ] - [ -0.0013374900000000, -0.0005570700000000, -0.0013349200000000 ] - [ -0.0004153000000000, -0.0000020100000000, 0.0037046900000000 ] - [ 0.0009390000000000, -0.0001582800000000, -0.0013444800000000 ] - [ -0.0016769200000000, 0.0001492000000000, -0.0013449900000000 ] - [ 0.0003817500000000, 0.0000047300000000, 0.0016237900000000 ] - [ 0.0014128100000000, -0.0007374700000000, -0.0009504600000000 ] - [ -0.0006612300000000, 0.0007415900000000, -0.0009500900000000 ] - [ -0.0000049200000000, -0.0002636200000000, 0.0004681200000000 ] - [ -0.0007451600000000, 0.0002665400000000, 0.0004740000000000 ] - [ -0.0003754200000000, 0.0000041600000000, -0.0002723900000000 ] - [ 0.0004125500000000, -0.0000640700000000, 0.0001970000000000 ] - [ 0.0003395200000000, 0.0000566300000000, 0.0001968900000000 ] - [ 0.0003760600000000, -0.0000035600000000, -0.0000249500000000 ]- atom: 13 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0008831400000000, -0.0007745200000000, 0.0079517200000000 ] - [ 0.0016688000000000, 0.0007528600000000, -0.0030736400000000 ] - [ -0.0034424200000000, -0.0023525000000000, -0.0030805400000000 ] - [ 0.0008835000000000, 0.0007926500000000, 0.0007789500000000 ] - [ 0.0011427600000000, 0.0004181900000000, 0.0000812200000000 ] - [ 0.0006238800000000, 0.0011659300000000, 0.0000796000000000 ] - [ 0.0009997800000000, -0.0017869300000000, 0.0007106100000000 ] - [ -0.0027672200000000, 0.0033500200000000, 0.0006966700000000 ] - [ -0.0008767200000000, 0.0007933800000000, -0.0021659300000000 ] - [ 0.0009269900000000, -0.0001165600000000, 0.0002510100000000 ] - [ 0.0008373800000000, -0.0014672100000000, 0.0002445000000000 ] - [ 0.0008820700000000, -0.0007895900000000, -0.0015081400000000 ] - [ 0.0005366900000000, 0.0007186000000000, 0.0857871400000000 ] - [ 0.0004837000000000, 0.0000380400000000, -0.0179223100000000 ] - [ 0.0008214400000000, 0.0011855700000000, -0.0181720600000000 ] - [ -0.0006480800000000, -0.0006133000000000, 0.0011574300000000 ] - [ -0.0007203900000000, -0.0007494200000000, -0.0003888300000000 ] - [ -0.0005770100000000, -0.0004768200000000, -0.0003870200000000 ] - [ 0.0006256400000000, -0.0008024300000000, 0.0001485800000000 ] - [ 0.0006705000000000, -0.0004206000000000, 0.0001489100000000 ] - [ 0.0006500500000000, -0.0006113400000000, -0.0008063300000000 ] - [ -0.0005000800000000, 0.0005639300000000, 0.0001991700000000 ] - [ -0.0007938600000000, 0.0006606200000000, 0.0001991200000000 ] - [ -0.0006477800000000, 0.0006090900000000, -0.0010375800000000 ] - [ 0.0005131100000000, -0.0025788500000000, 0.0007144700000000 ] - [ -0.0049256000000000, 0.0032303400000000, 0.0006935700000000 ] - [ -0.0022173900000000, 0.0003255900000000, -0.0017757600000000 ] - [ 0.0021981200000000, -0.0003108100000000, -0.0001283500000000 ] - [ 0.0022423000000000, -0.0003480100000000, -0.0001303600000000 ] - [ 0.0022196200000000, -0.0003275500000000, -0.0003229800000000 ] - [ -0.0022054600000000, -0.0003271700000000, 0.0004520000000000 ] - [ -0.0018542800000000, -0.0004016900000000, -0.0000606700000000 ] - [ -0.0025912300000000, -0.0002567500000000, -0.0000618200000000 ] - [ 0.0022224600000000, 0.0003157600000000, 0.0066321600000000 ] - [ 0.0026493700000000, -0.0025094500000000, -0.0028680100000000 ] - [ 0.0017914400000000, 0.0031813000000000, -0.0028767300000000 ] - [ -0.0053305200000000, -0.0005506200000000, 0.0009184200000000 ] - [ 0.0053116600000000, 0.0005336100000000, 0.0008984000000000 ] - [ -0.0000001700000000, 0.0000015300000000, -0.0024440600000000 ] - [ 0.0000004300000000, 0.0000017600000000, 0.0006688400000000 ] - [ -0.0002260700000000, 0.0000766300000000, 0.0000079700000000 ] - [ 0.0002295900000000, -0.0000752600000000, 0.0000106800000000 ] - [ 0.0000034900000000, 0.0000168900000000, 0.0099745300000000 ] - [ -0.0022127700000000, -0.0018394900000000, -0.0038802800000000 ] - [ 0.0022118200000000, 0.0018163300000000, -0.0038603200000000 ] - [ -0.0008089200000000, -0.0007008700000000, -0.0001855300000000 ] - [ 0.0008074100000000, 0.0006974400000000, -0.0001894900000000 ] - [ -0.0000005800000000, -0.0000008800000000, -0.0011385600000000 ] - [ 0.0036663300000000, 0.0005520000000000, -0.0096348100000000 ] - [ -0.0030020800000000, -0.0003698300000000, -0.0092815400000000 ] - [ 0.0001637100000000, 0.0000461400000000, 0.0032867800000000 ] - [ -0.0016241900000000, -0.0010819300000000, -0.0004003400000000 ] - [ 0.0012824200000000, 0.0009855900000000, -0.0004061600000000 ] - [ -0.0001706400000000, -0.0000482700000000, 0.0006255800000000 ] - [ 0.0001720800000000, -0.0000462500000000, -0.0005548500000000 ] - [ -0.0002741300000000, -0.0002120200000000, 0.0003720800000000 ] - [ 0.0006187300000000, 0.0001161600000000, 0.0003721800000000 ] - [ -0.0001697300000000, 0.0000477000000000, -0.0010688400000000 ] - [ -0.0000163700000000, -0.0002659400000000, 0.0006809000000000 ] - [ -0.0003229700000000, 0.0003623300000000, 0.0006801800000000 ] - [ 0.0003018100000000, -0.0000474100000000, -0.0009450100000000 ] - [ 0.0003337500000000, -0.0003392300000000, 0.0004465700000000 ] - [ 0.0002701600000000, 0.0002462100000000, 0.0004453000000000 ] - [ -0.0003004000000000, 0.0000467100000000, -0.0002180500000000 ] - [ -0.0003743000000000, 0.0000249600000000, 0.0000437800000000 ] - [ -0.0002262800000000, 0.0000675100000000, 0.0000428400000000 ] - [ -0.0000390800000000, 0.0000824800000000, -0.0004771900000000 ] - [ 0.0006399000000000, 0.0000150700000000, -0.0004714800000000 ] - [ 0.0003034200000000, 0.0000469500000000, 0.0008488300000000 ] - [ 0.0003353300000000, 0.0006074700000000, -0.0070300700000000 ] - [ -0.0010199900000000, -0.0004616200000000, -0.0067980100000000 ] - [ -0.0003002600000000, -0.0000511900000000, 0.0025909300000000 ] - [ 0.0029354800000000, 0.0002214900000000, -0.0003248700000000 ] - [ -0.0003843800000000, -0.0024412400000000, -0.0003220100000000 ] - [ 0.0012751600000000, -0.0011133000000000, 0.0010519400000000 ] - [ -0.0012011500000000, 0.0010327700000000, 0.0000811900000000 ] - [ -0.0013433900000000, 0.0011971700000000, 0.0000819000000000 ] - [ -0.0012719300000000, 0.0011151700000000, 0.0003935700000000 ] - [ 0.0012589800000000, 0.0011198000000000, -0.0025328900000000 ] - [ 0.0022861500000000, 0.0007936400000000, 0.0008099700000000 ] - [ 0.0002790300000000, 0.0014312900000000, 0.0007970700000000 ] - [ -0.0012638300000000, -0.0011113400000000, -0.0020978700000000 ] - [ -0.0007509600000000, 0.0001818300000000, 0.0008270500000000 ] - [ -0.0018031900000000, -0.0024156800000000, 0.0008285400000000 ] - [ -0.0037388200000000, -0.0064574300000000, -0.0119392300000000 ] - [ 0.0024916000000000, 0.0047088800000000, -0.0115435400000000 ] - [ -0.0005154800000000, -0.0006845400000000, 0.0036260000000000 ] - [ 0.0004072800000000, 0.0007616500000000, -0.0001691100000000 ] - [ 0.0006340600000000, 0.0006173700000000, -0.0001695200000000 ] - [ 0.0005204300000000, 0.0006896300000000, 0.0005582700000000 ] - [ -0.0005197700000000, 0.0006897900000000, -0.0008574700000000 ] - [ -0.0003168700000000, 0.0003543800000000, 0.0003565400000000 ] - [ -0.0007191700000000, 0.0010236300000000, 0.0003578100000000 ] - [ 0.0005199400000000, -0.0006914500000000, -0.0002759600000000 ] - [ 0.0005479900000000, -0.0000929500000000, 0.0000639000000000 ] - [ 0.0004934000000000, -0.0012855600000000, 0.0000638300000000 ] - [ 0.0013481900000000, -0.0005780000000000, -0.0046744900000000 ] - [ 0.0020099400000000, -0.0013601100000000, 0.0014673400000000 ] - [ 0.0006604000000000, 0.0002445500000000, 0.0014666200000000 ] - [ -0.0013344700000000, 0.0005600600000000, -0.0002714900000000 ] - [ -0.0012954700000000, 0.0007094700000000, 0.0002283300000000 ] - [ -0.0013746600000000, 0.0004085800000000, 0.0002278600000000 ] - [ 0.0018550900000000, 0.0005569400000000, -0.0006990700000000 ] - [ 0.0008256900000000, 0.0005571700000000, -0.0006991900000000 ] - [ 0.0013371600000000, 0.0005601400000000, 0.0011825500000000 ] - [ -0.0012140400000000, -0.0012809300000000, -0.0007165700000000 ] - [ -0.0014553600000000, 0.0001608100000000, -0.0007210500000000 ] - [ -0.0013374500000000, -0.0005575200000000, 0.0012298400000000 ] - [ -0.0004155400000000, -0.0000016600000000, -0.0039416200000000 ] - [ -0.0016766300000000, 0.0001501700000000, 0.0011081500000000 ] - [ 0.0009393900000000, -0.0001573900000000, 0.0011074700000000 ] - [ 0.0003817100000000, 0.0000040500000000, -0.0018594500000000 ] - [ -0.0006614400000000, 0.0007406000000000, 0.0007141300000000 ] - [ 0.0014126500000000, -0.0007386000000000, 0.0007148000000000 ] - [ -0.0007448200000000, 0.0002654200000000, -0.0002378400000000 ] - [ -0.0000045200000000, -0.0002647000000000, -0.0002320000000000 ] - [ -0.0003749700000000, 0.0000032400000000, 0.0005085600000000 ] - [ 0.0003391900000000, 0.0000574300000000, 0.0000401000000000 ] - [ 0.0004121100000000, -0.0000631500000000, 0.0000399500000000 ] - [ 0.0003757300000000, -0.0000026100000000, 0.0002619600000000 ]- atom: 25 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0047856000000000, -0.0052344500000000, -0.0057148200000000 ] - [ -0.0007849100000000, -0.0013750300000000, 0.0003245800000000 ] - [ 0.0047819200000000, -0.0052329500000000, 0.0063641000000000 ] - [ 0.0014446300000000, 0.0011450800000000, 0.0003084500000000 ] - [ 0.0011460200000000, 0.0008006200000000, 0.0003252000000000 ] - [ 0.0014432200000000, 0.0011443900000000, 0.0003385000000000 ] - [ 0.0101272700000000, 0.0124220000000000, -0.0003245000000000 ] - [ 0.0009572800000000, 0.0017884900000000, 0.0017609300000000 ] - [ 0.0009587600000000, 0.0017904800000000, -0.0024109300000000 ] - [ 0.0006418200000000, -0.0015118600000000, -0.0003236100000000 ] - [ 0.0007432600000000, -0.0007367500000000, -0.0002123500000000 ] - [ 0.0007420700000000, -0.0007356200000000, -0.0004356400000000 ] - [ -0.0032384800000000, 0.0000173200000000, -0.0025559000000000 ] - [ -0.0003369300000000, 0.0004838900000000, 0.0001653600000000 ] - [ -0.0032383200000000, 0.0000174200000000, 0.0028869200000000 ] - [ -0.0000939400000000, -0.0006406100000000, 0.0001456000000000 ] - [ -0.0002581500000000, -0.0006611800000000, 0.0001660100000000 ] - [ -0.0000938600000000, -0.0006392100000000, 0.0001859300000000 ] - [ 0.0067451500000000, -0.0002587000000000, -0.0001654500000000 ] - [ 0.0025883800000000, -0.0007354800000000, 0.0002067900000000 ] - [ 0.0025898800000000, -0.0007362300000000, -0.0005391000000000 ] - [ -0.0029267000000000, 0.0033282600000000, -0.0001666100000000 ] - [ -0.0014354100000000, 0.0005605600000000, -0.0005987300000000 ] - [ -0.0014350500000000, 0.0005583000000000, 0.0002673600000000 ] - [ -0.0893194400000000, -0.0139817100000000, -0.0001875600000000 ] - [ -0.0065157500000000, -0.0012456500000000, 0.0009819600000000 ] - [ -0.0065150400000000, -0.0012474000000000, -0.0013496200000000 ] - [ 0.0036405500000000, -0.0017530600000000, -0.0001841400000000 ] - [ 0.0023846500000000, -0.0010929200000000, 0.0004576000000000 ] - [ 0.0023821800000000, -0.0010916400000000, -0.0008271200000000 ] - [ -0.0006533900000000, -0.0004955100000000, -0.0002275100000000 ] - [ -0.0014976800000000, -0.0005027000000000, 0.0001844400000000 ] - [ -0.0006525600000000, -0.0004963800000000, 0.0005963600000000 ] - [ 0.0018358700000000, 0.0001333000000000, 0.0000447500000000 ] - [ 0.0018860100000000, 0.0003344000000000, 0.0001839500000000 ] - [ 0.0018352000000000, 0.0001338500000000, 0.0003233700000000 ] - [ 0.0004227800000000, -0.0006243200000000, -0.0002164000000000 ] - [ 0.0000811400000000, -0.0004374400000000, -0.0006092600000000 ] - [ 0.0000812100000000, -0.0004370000000000, 0.0001763200000000 ] - [ -0.0015087100000000, -0.0060910800000000, 0.0069542800000000 ] - [ -0.0003099800000000, -0.0013039500000000, 0.0002165900000000 ] - [ -0.0015096500000000, -0.0060903100000000, -0.0065212600000000 ] - [ -0.0000002100000000, 0.0005616300000000, 0.0006779600000000 ] - [ 0.0002157800000000, 0.0002855500000000, 0.0005064300000000 ] - [ -0.0000003400000000, 0.0005608300000000, 0.0003370300000000 ] - [ 0.0058446400000000, 0.0064105000000000, -0.0005143000000000 ] - [ 0.0005123600000000, 0.0005587100000000, -0.0013520200000000 ] - [ 0.0005124000000000, 0.0005585300000000, 0.0003382600000000 ] - [ 0.0011564700000000, -0.0005850400000000, -0.0000645400000000 ] - [ 0.0006620000000000, -0.0003449000000000, -0.0003646700000000 ] - [ 0.0006625500000000, -0.0003458900000000, 0.0002343800000000 ] - [ -0.0004387000000000, -0.0001332100000000, -0.0000652000000000 ] - [ -0.0003374700000000, -0.0001510600000000, -0.0001734600000000 ] - [ -0.0003370100000000, -0.0001507600000000, 0.0000426700000000 ] - [ -0.0029333800000000, 0.0000264800000000, 0.0014466900000000 ] - [ -0.0005218600000000, -0.0000324600000000, 0.0000659900000000 ] - [ -0.0029311700000000, 0.0000271600000000, -0.0013139700000000 ] - [ 0.0007768600000000, -0.0013567400000000, 0.0016728200000000 ] - [ -0.0000351700000000, -0.0001244000000000, 0.0000656700000000 ] - [ 0.0007767500000000, -0.0013558400000000, -0.0015413300000000 ] - [ 0.0039277000000000, -0.0004579200000000, 0.0007896100000000 ] - [ 0.0008512000000000, 0.0006869000000000, -0.0000306500000000 ] - [ 0.0039268000000000, -0.0004595100000000, -0.0008519400000000 ] - [ -0.0020275600000000, 0.0013701700000000, -0.0012865100000000 ] - [ -0.0006824000000000, 0.0002188700000000, -0.0000303100000000 ] - [ -0.0020278200000000, 0.0013700700000000, 0.0012260200000000 ] - [ -0.0001072900000000, 0.0002087700000000, 0.0000304600000000 ] - [ -0.0000570800000000, 0.0002297600000000, 0.0000974400000000 ] - [ -0.0000569200000000, 0.0002298600000000, -0.0000359600000000 ] - [ -0.0000464700000000, 0.0006272200000000, 0.0000301900000000 ] - [ -0.0001368100000000, 0.0000379700000000, 0.0000913600000000 ] - [ -0.0001371100000000, 0.0000379900000000, -0.0000310300000000 ] - [ 0.0290988500000000, 0.0080708800000000, 0.0002057000000000 ] - [ 0.0018811200000000, -0.0016263400000000, 0.0016642000000000 ] - [ 0.0018816700000000, -0.0016255200000000, -0.0012650800000000 ] - [ -0.0019215600000000, 0.0013364100000000, 0.0001998600000000 ] - [ -0.0018802200000000, 0.0010990800000000, 0.0002422600000000 ] - [ -0.0018797200000000, 0.0010991100000000, 0.0001554800000000 ] - [ 0.0004816800000000, 0.0004554500000000, -0.0006803600000000 ] - [ 0.0008442900000000, 0.0008534800000000, -0.0001992400000000 ] - [ 0.0004819600000000, 0.0004550500000000, 0.0002822800000000 ] - [ -0.0009540800000000, -0.0012452000000000, -0.0003232200000000 ] - [ -0.0010558400000000, -0.0013085300000000, -0.0001999000000000 ] - [ -0.0009542100000000, -0.0012447500000000, -0.0000759000000000 ] - [ 0.0082224500000000, -0.0053634700000000, 0.0000716100000000 ] - [ 0.0010599400000000, -0.0002114600000000, 0.0007680400000000 ] - [ 0.0010596500000000, -0.0002118700000000, -0.0006250400000000 ] - [ 0.0000719200000000, 0.0005626700000000, 0.0000712700000000 ] - [ 0.0002680000000000, 0.0006485100000000, 0.0000786900000000 ] - [ 0.0002683400000000, 0.0006482600000000, 0.0000640400000000 ] - [ -0.0023007000000000, 0.0001838800000000, -0.0012460500000000 ] - [ -0.0012476900000000, 0.0008240500000000, -0.0000715500000000 ] - [ -0.0023010200000000, 0.0001841300000000, 0.0011031100000000 ] - [ 0.0009748200000000, -0.0008714100000000, -0.0001569200000000 ] - [ 0.0007806900000000, -0.0008145100000000, -0.0000711000000000 ] - [ 0.0009747900000000, -0.0008712100000000, 0.0000149800000000 ] - [ 0.0093611100000000, 0.0049718900000000, 0.0057068700000000 ] - [ 0.0018731000000000, -0.0007963300000000, 0.0000525100000000 ] - [ 0.0093609600000000, 0.0049711200000000, -0.0055998800000000 ] - [ -0.0014296700000000, 0.0008516600000000, -0.0001728300000000 ] - [ -0.0012247000000000, 0.0006480900000000, 0.0000523900000000 ] - [ -0.0014298600000000, 0.0008517100000000, 0.0002780500000000 ] - [ -0.0009499900000000, 0.0014833800000000, -0.0000529800000000 ] - [ 0.0001137300000000, 0.0009487400000000, 0.0005358100000000 ] - [ 0.0001134700000000, 0.0009487900000000, -0.0006410500000000 ] - [ -0.0012437600000000, -0.0006181700000000, -0.0000527300000000 ] - [ -0.0012378600000000, -0.0008428900000000, 0.0001810100000000 ] - [ -0.0012379900000000, -0.0008426600000000, -0.0002859900000000 ] - [ -0.0008248300000000, 0.0011550500000000, 0.0002427200000000 ] - [ -0.0004330800000000, 0.0001601900000000, -0.0001186600000000 ] - [ -0.0008249200000000, 0.0011549700000000, -0.0004796000000000 ] - [ 0.0002921700000000, 0.0002163200000000, -0.0001154100000000 ] - [ 0.0003088200000000, 0.0000136500000000, -0.0001176600000000 ] - [ 0.0002917700000000, 0.0002162500000000, -0.0001206400000000 ] - [ 0.0136960400000000, 0.0022516900000000, 0.0001175300000000 ] - [ -0.0001912900000000, 0.0005672900000000, -0.0009042300000000 ] - [ -0.0001912100000000, 0.0005675700000000, 0.0011404600000000 ] - [ 0.0009722000000000, 0.0027498400000000, 0.0001183300000000 ] - [ 0.0010246300000000, -0.0002165700000000, 0.0004854500000000 ] - [ 0.0010243800000000, -0.0002167600000000, -0.0002485300000000 ]- atom: 25 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0066026600000000, 0.0037026300000000, 0.0064064300000000 ] - [ -0.0009805900000000, -0.0002072900000000, 0.0003249700000000 ] - [ -0.0066003200000000, 0.0037008300000000, -0.0057562500000000 ] - [ 0.0003281000000000, 0.0004346000000000, 0.0003377700000000 ] - [ 0.0006257600000000, 0.0007843800000000, 0.0003254100000000 ] - [ 0.0003256000000000, 0.0004343300000000, 0.0003096400000000 ] - [ -0.0118242900000000, -0.0106850700000000, -0.0003242000000000 ] - [ -0.0027562500000000, -0.0002019100000000, -0.0024143900000000 ] - [ -0.0027562200000000, -0.0002002100000000, 0.0017653100000000 ] - [ 0.0011221400000000, -0.0000821000000000, -0.0003226600000000 ] - [ 0.0010245500000000, -0.0008513400000000, -0.0004344300000000 ] - [ 0.0010227200000000, -0.0008491900000000, -0.0002147200000000 ] - [ 0.0045416500000000, 0.0011981200000000, 0.0028827100000000 ] - [ 0.0016439000000000, 0.0007411800000000, 0.0001655100000000 ] - [ 0.0045424300000000, 0.0011966800000000, -0.0025490900000000 ] - [ -0.0012022600000000, -0.0005885200000000, 0.0001867600000000 ] - [ -0.0010374200000000, -0.0005669800000000, 0.0001652100000000 ] - [ -0.0012017600000000, -0.0005864800000000, 0.0001444800000000 ] - [ -0.0054373500000000, -0.0009729800000000, -0.0001652400000000 ] - [ -0.0012982600000000, -0.0004873800000000, -0.0005290700000000 ] - [ -0.0012957600000000, -0.0004887200000000, 0.0001988000000000 ] - [ 0.0016651300000000, -0.0020809700000000, -0.0001662800000000 ] - [ 0.0001617600000000, 0.0006793500000000, 0.0002589300000000 ] - [ 0.0001611600000000, 0.0006773900000000, -0.0005896500000000 ] - [ 0.0857366200000000, 0.0145826700000000, -0.0001788900000000 ] - [ 0.0021044600000000, 0.0018986700000000, -0.0014200400000000 ] - [ 0.0021049700000000, 0.0018970000000000, 0.0010522900000000 ] - [ 0.0007931000000000, 0.0010850900000000, -0.0001843900000000 ] - [ 0.0020466500000000, 0.0004279700000000, -0.0008201900000000 ] - [ 0.0020436300000000, 0.0004315400000000, 0.0004507800000000 ] - [ -0.0037752100000000, -0.0001526700000000, 0.0005984000000000 ] - [ -0.0029383700000000, -0.0001501900000000, 0.0001841000000000 ] - [ -0.0037743900000000, -0.0001537200000000, -0.0002301000000000 ] - [ 0.0025995200000000, 0.0005195800000000, 0.0003229200000000 ] - [ 0.0025507500000000, 0.0003171800000000, 0.0001843700000000 ] - [ 0.0025967600000000, 0.0005204800000000, 0.0000456500000000 ] - [ -0.0004182900000000, 0.0006220000000000, -0.0002165100000000 ] - [ -0.0000791800000000, 0.0004344900000000, 0.0001744200000000 ] - [ -0.0000793300000000, 0.0004348800000000, -0.0006074000000000 ] - [ 0.0014674000000000, 0.0060294700000000, -0.0064448600000000 ] - [ 0.0003040400000000, 0.0013002400000000, 0.0002165100000000 ] - [ 0.0014676600000000, 0.0060283600000000, 0.0068770500000000 ] - [ -0.0000031000000000, -0.0005649200000000, 0.0003404600000000 ] - [ -0.0002213300000000, -0.0002917800000000, 0.0005070300000000 ] - [ -0.0000026600000000, -0.0005651600000000, 0.0006749800000000 ] - [ -0.0059209700000000, -0.0064496000000000, -0.0005006500000000 ] - [ -0.0005127000000000, -0.0005626200000000, 0.0003431700000000 ] - [ -0.0005127200000000, -0.0005622200000000, -0.0013586100000000 ] - [ -0.0008074600000000, 0.0006762400000000, -0.0000662700000000 ] - [ -0.0003172700000000, 0.0004454200000000, 0.0002404300000000 ] - [ -0.0003178300000000, 0.0004459200000000, -0.0003720100000000 ] - [ 0.0001003500000000, 0.0000384100000000, -0.0000655600000000 ] - [ 0.0000000300000000, 0.0000561600000000, 0.0000415500000000 ] - [ -0.0000002400000000, 0.0000559800000000, -0.0001725800000000 ] - [ 0.0032740900000000, -0.0001231200000000, -0.0013078500000000 ] - [ 0.0008660400000000, -0.0000627200000000, 0.0000649800000000 ] - [ 0.0032717400000000, -0.0001234700000000, 0.0014363200000000 ] - [ -0.0011287500000000, 0.0014668200000000, -0.0015587500000000 ] - [ -0.0003110700000000, 0.0002201600000000, 0.0000650700000000 ] - [ -0.0011281500000000, 0.0014660500000000, 0.0016884900000000 ] - [ -0.0033487500000000, 0.0003797800000000, -0.0008596300000000 ] - [ -0.0002454700000000, -0.0007851800000000, -0.0000306200000000 ] - [ -0.0033481100000000, 0.0003813700000000, 0.0007996500000000 ] - [ 0.0014117300000000, -0.0012643700000000, 0.0012159700000000 ] - [ 0.0000836200000000, -0.0001275900000000, -0.0000303500000000 ] - [ 0.0014119800000000, -0.0012645900000000, -0.0012768500000000 ] - [ 0.0007111900000000, -0.0001188500000000, 0.0000306800000000 ] - [ 0.0006598600000000, -0.0001394000000000, -0.0000361000000000 ] - [ 0.0006602100000000, -0.0001394100000000, 0.0000971300000000 ] - [ -0.0005565600000000, -0.0007202100000000, 0.0000300500000000 ] - [ -0.0004658700000000, -0.0001316400000000, -0.0000297500000000 ] - [ -0.0004659000000000, -0.0001312400000000, 0.0000903600000000 ] - [ -0.0279766800000000, -0.0107347300000000, 0.0001928500000000 ] - [ 0.0006553000000000, -0.0006004800000000, -0.0012800700000000 ] - [ 0.0006551200000000, -0.0006012400000000, 0.0016788700000000 ] - [ -0.0006266800000000, 0.0008876200000000, 0.0001983800000000 ] - [ -0.0006639000000000, 0.0011290200000000, 0.0001543500000000 ] - [ -0.0006641600000000, 0.0011290200000000, 0.0002445500000000 ] - [ 0.0020696000000000, 0.0017727900000000, 0.0002760600000000 ] - [ 0.0017045200000000, 0.0013745300000000, -0.0001989000000000 ] - [ 0.0020694400000000, 0.0017726300000000, -0.0006744700000000 ] - [ -0.0015870900000000, -0.0009822200000000, -0.0000774900000000 ] - [ -0.0014875300000000, -0.0009165000000000, -0.0001993400000000 ] - [ -0.0015868600000000, -0.0009826200000000, -0.0003215600000000 ] - [ -0.0094971800000000, 0.0043269000000000, 0.0000712000000000 ] - [ -0.0021083200000000, -0.0011729000000000, -0.0006342600000000 ] - [ -0.0021079200000000, -0.0011723000000000, 0.0007761700000000 ] - [ 0.0009705800000000, 0.0008175700000000, 0.0000714500000000 ] - [ 0.0007738300000000, 0.0007306100000000, 0.0000632400000000 ] - [ 0.0007739000000000, 0.0007305200000000, 0.0000790300000000 ] - [ 0.0012537300000000, 0.0011816500000000, 0.0010873200000000 ] - [ 0.0002153300000000, 0.0005488600000000, -0.0000718200000000 ] - [ 0.0012537200000000, 0.0011815600000000, -0.0012308300000000 ] - [ 0.0000681400000000, -0.0005144800000000, 0.0000131900000000 ] - [ 0.0002621300000000, -0.0005675300000000, -0.0000711600000000 ] - [ 0.0000680000000000, -0.0005144600000000, -0.0001554600000000 ] - [ -0.0066759200000000, -0.0059738300000000, -0.0054399200000000 ] - [ 0.0008058900000000, -0.0003210000000000, 0.0000527700000000 ] - [ -0.0066754400000000, -0.0059738600000000, 0.0055432000000000 ] - [ -0.0012407300000000, 0.0002704500000000, 0.0002759500000000 ] - [ -0.0014438100000000, 0.0004736900000000, 0.0000524200000000 ] - [ -0.0012408300000000, 0.0002704100000000, -0.0001710300000000 ] - [ 0.0036384800000000, -0.0003722200000000, -0.0000523400000000 ] - [ 0.0025656000000000, 0.0001678300000000, -0.0006478400000000 ] - [ 0.0025657000000000, 0.0001677100000000, 0.0005426400000000 ] - [ -0.0014320300000000, -0.0005034600000000, -0.0000524700000000 ] - [ -0.0014385600000000, -0.0002766300000000, -0.0002885100000000 ] - [ -0.0014383800000000, -0.0002770900000000, 0.0001830200000000 ] - [ 0.0000711700000000, -0.0011653200000000, -0.0004735700000000 ] - [ -0.0003148300000000, -0.0001710500000000, -0.0001184600000000 ] - [ 0.0000710400000000, -0.0011649600000000, 0.0002362100000000 ] - [ 0.0004574300000000, -0.0002114000000000, -0.0001213600000000 ] - [ 0.0004419600000000, -0.0000088600000000, -0.0001178700000000 ] - [ 0.0004573100000000, -0.0002110700000000, -0.0001148500000000 ] - [ -0.0135881400000000, -0.0023702300000000, 0.0001185100000000 ] - [ -0.0005453900000000, -0.0005670200000000, 0.0011357800000000 ] - [ -0.0005453500000000, -0.0005669000000000, -0.0008999600000000 ] - [ -0.0002067300000000, -0.0027304600000000, 0.0001185700000000 ] - [ -0.0002670900000000, 0.0002069900000000, -0.0002485500000000 ] - [ -0.0002668400000000, 0.0002068200000000, 0.0004855700000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0037130500000000, -0.0044491600000000, 0.0015039700000000 ] - [ -0.0012979900000000, -0.0020912900000000, 0.0003249500000000 ] - [ -0.0037113200000000, -0.0044492200000000, -0.0008536500000000 ] - [ 0.0011313400000000, 0.0016569100000000, 0.0002710900000000 ] - [ 0.0009921100000000, 0.0013768000000000, 0.0003243500000000 ] - [ 0.0011302200000000, 0.0016568500000000, 0.0003770100000000 ] - [ 0.0119965900000000, 0.0029805700000000, -0.0003251100000000 ] - [ 0.0019109700000000, 0.0005388900000000, 0.0028301000000000 ] - [ 0.0019119700000000, 0.0005393400000000, -0.0034798200000000 ] - [ 0.0006319300000000, 0.0012994400000000, -0.0003233300000000 ] - [ 0.0007642400000000, 0.0006425200000000, -0.0004475600000000 ] - [ 0.0007635300000000, 0.0006428300000000, -0.0002013600000000 ] - [ -0.0001102800000000, 0.0051715200000000, 0.0030834800000000 ] - [ 0.0004527200000000, 0.0010354300000000, 0.0001662200000000 ] - [ -0.0001096600000000, 0.0051687700000000, -0.0027506700000000 ] - [ -0.0006144100000000, 0.0003720100000000, 0.0001829700000000 ] - [ -0.0006243100000000, 0.0003144600000000, 0.0001658500000000 ] - [ -0.0006144900000000, 0.0003732000000000, 0.0001483400000000 ] - [ -0.0004822400000000, -0.0016015900000000, -0.0001658600000000 ] - [ 0.0005554100000000, -0.0015591500000000, -0.0000951400000000 ] - [ 0.0005569900000000, -0.0015597300000000, -0.0002362500000000 ] - [ 0.0035648600000000, 0.0113276700000000, -0.0001658500000000 ] - [ 0.0009900900000000, 0.0037083000000000, -0.0030028500000000 ] - [ 0.0009897800000000, 0.0037059200000000, 0.0026715300000000 ] - [ -0.0165398400000000, -0.0755322000000000, -0.0001840100000000 ] - [ -0.0037895900000000, -0.0089603200000000, -0.0004967500000000 ] - [ -0.0037891300000000, -0.0089613200000000, 0.0001289400000000 ] - [ 0.0008011800000000, 0.0001841400000000, -0.0001837700000000 ] - [ 0.0014614000000000, -0.0000876800000000, -0.0003171200000000 ] - [ 0.0014588100000000, -0.0000856000000000, -0.0000522100000000 ] - [ -0.0020452200000000, -0.0005498100000000, 0.0002853900000000 ] - [ -0.0020403600000000, -0.0005982200000000, 0.0001842200000000 ] - [ -0.0020443500000000, -0.0005505600000000, 0.0000831200000000 ] - [ 0.0024097500000000, 0.0018988700000000, 0.0002945700000000 ] - [ 0.0022088800000000, 0.0015732900000000, 0.0001838800000000 ] - [ 0.0024085400000000, 0.0018992500000000, 0.0000743500000000 ] - [ -0.0004488200000000, 0.0008805400000000, -0.0002168700000000 ] - [ -0.0000822200000000, 0.0008153400000000, 0.0000806900000000 ] - [ -0.0000816200000000, 0.0008160600000000, -0.0005133000000000 ] - [ -0.0072942500000000, 0.0010043300000000, -0.0020351300000000 ] - [ -0.0007723100000000, -0.0010740100000000, 0.0002165400000000 ] - [ -0.0072929800000000, 0.0010038700000000, 0.0024676100000000 ] - [ 0.0004513400000000, 0.0017028200000000, 0.0010029900000000 ] - [ 0.0006162600000000, 0.0014036700000000, 0.0005071500000000 ] - [ 0.0004503600000000, 0.0017022900000000, 0.0000127700000000 ] - [ 0.0014846400000000, -0.0002367100000000, -0.0005069500000000 ] - [ 0.0005536500000000, -0.0007701700000000, -0.0008817100000000 ] - [ 0.0005543700000000, -0.0007705100000000, -0.0001331300000000 ] - [ -0.0008287100000000, -0.0011274800000000, -0.0000659800000000 ] - [ -0.0003361600000000, -0.0007526100000000, -0.0009763400000000 ] - [ -0.0003353800000000, -0.0007527800000000, 0.0008456200000000 ] - [ -0.0003184100000000, -0.0007444800000000, -0.0000654100000000 ] - [ -0.0002756300000000, -0.0006488600000000, -0.0000534600000000 ] - [ -0.0002754800000000, -0.0006487800000000, -0.0000772800000000 ] - [ 0.0001614700000000, 0.0004789800000000, 0.0002435000000000 ] - [ 0.0000481300000000, 0.0003736400000000, 0.0000655600000000 ] - [ 0.0001621800000000, 0.0004789400000000, -0.0001118900000000 ] - [ -0.0020675400000000, -0.0000157900000000, 0.0001506400000000 ] - [ -0.0008097700000000, 0.0002713600000000, 0.0000653600000000 ] - [ -0.0020677500000000, -0.0000153500000000, -0.0000205600000000 ] - [ 0.0040735300000000, 0.0112775500000000, -0.0062456200000000 ] - [ 0.0002676300000000, 0.0013160600000000, -0.0000306600000000 ] - [ 0.0040719300000000, 0.0112776600000000, 0.0061837100000000 ] - [ -0.0000312700000000, 0.0004600200000000, 0.0001315500000000 ] - [ -0.0000887400000000, 0.0006555600000000, -0.0000304500000000 ] - [ -0.0000312800000000, 0.0004599400000000, -0.0001922700000000 ] - [ 0.0002867600000000, -0.0003604300000000, 0.0000305500000000 ] - [ 0.0003920400000000, -0.0003981700000000, -0.0001343300000000 ] - [ 0.0003921300000000, -0.0003981100000000, 0.0001955200000000 ] - [ 0.0000595100000000, -0.0017016700000000, 0.0000302400000000 ] - [ -0.0000592900000000, -0.0010556000000000, -0.0002981400000000 ] - [ -0.0000591800000000, -0.0010557500000000, 0.0003586500000000 ] - [ 0.0066336300000000, 0.0055181100000000, 0.0001978700000000 ] - [ 0.0008750000000000, 0.0002495900000000, 0.0004252800000000 ] - [ 0.0008751000000000, 0.0002500800000000, -0.0000272000000000 ] - [ -0.0013711700000000, 0.0010892900000000, 0.0001990800000000 ] - [ -0.0014257800000000, 0.0010439500000000, 0.0003424700000000 ] - [ -0.0014258100000000, 0.0010441000000000, 0.0000556900000000 ] - [ 0.0000637200000000, 0.0003361800000000, -0.0005941900000000 ] - [ 0.0006577000000000, 0.0005601700000000, -0.0001991200000000 ] - [ 0.0000637600000000, 0.0003360400000000, 0.0001960000000000 ] - [ -0.0011437500000000, -0.0021901700000000, -0.0002657400000000 ] - [ -0.0012367400000000, -0.0020688500000000, -0.0001999100000000 ] - [ -0.0011438000000000, -0.0021900600000000, -0.0001343000000000 ] - [ -0.0052021900000000, 0.0121234200000000, 0.0000713500000000 ] - [ 0.0002914400000000, 0.0000531700000000, -0.0012720600000000 ] - [ 0.0002913300000000, 0.0000535900000000, 0.0014146600000000 ] - [ 0.0005221600000000, 0.0001609900000000, 0.0000711800000000 ] - [ 0.0005090700000000, 0.0002323600000000, 0.0000999600000000 ] - [ 0.0005089800000000, 0.0002323800000000, 0.0000424600000000 ] - [ -0.0014106800000000, 0.0019854300000000, -0.0000318700000000 ] - [ -0.0009174900000000, 0.0017723700000000, -0.0000716300000000 ] - [ -0.0014105900000000, 0.0019856400000000, -0.0001112000000000 ] - [ 0.0007438900000000, -0.0026811000000000, 0.0004406400000000 ] - [ 0.0008042400000000, -0.0018364300000000, -0.0000710300000000 ] - [ 0.0007437500000000, -0.0026811200000000, -0.0005827500000000 ] - [ 0.0056974300000000, 0.0108461300000000, 0.0081547800000000 ] - [ 0.0019092500000000, 0.0004066600000000, 0.0000525200000000 ] - [ 0.0056963800000000, 0.0108441000000000, -0.0080467900000000 ] - [ -0.0010885300000000, -0.0000347700000000, 0.0002594200000000 ] - [ -0.0010456600000000, -0.0000562100000000, 0.0000525800000000 ] - [ -0.0010884500000000, -0.0000347900000000, -0.0001544300000000 ] - [ 0.0015292300000000, 0.0011868200000000, -0.0000526300000000 ] - [ 0.0013557600000000, 0.0008194800000000, -0.0002146500000000 ] - [ 0.0013559600000000, 0.0008193400000000, 0.0001093800000000 ] - [ -0.0015638500000000, -0.0014449600000000, -0.0000527300000000 ] - [ -0.0014616000000000, -0.0012546400000000, 0.0000062200000000 ] - [ -0.0014616300000000, -0.0012547700000000, -0.0001115100000000 ] - [ 0.0003309400000000, -0.0005688400000000, -0.0006352900000000 ] - [ -0.0001383500000000, -0.0001655600000000, -0.0001185900000000 ] - [ 0.0003309300000000, -0.0005688900000000, 0.0003979200000000 ] - [ 0.0004258800000000, -0.0007754300000000, -0.0001006700000000 ] - [ 0.0004235200000000, -0.0005648300000000, -0.0001178700000000 ] - [ 0.0004258700000000, -0.0007755000000000, -0.0001353500000000 ] - [ -0.0027519900000000, 0.0048639400000000, 0.0001184500000000 ] - [ 0.0004342800000000, 0.0024273200000000, 0.0006808800000000 ] - [ 0.0004342500000000, 0.0024272100000000, -0.0004448400000000 ] - [ 0.0022652000000000, -0.0018156100000000, 0.0001184100000000 ] - [ 0.0015276200000000, -0.0007940200000000, 0.0011514400000000 ] - [ 0.0015275700000000, -0.0007938400000000, -0.0009144900000000 ]- atom: 25 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0019562100000000, 0.0028284900000000, -0.0008624800000000 ] - [ -0.0004671300000000, 0.0005023300000000, 0.0003244200000000 ] - [ 0.0019535900000000, 0.0028289400000000, 0.0015117000000000 ] - [ 0.0006325700000000, -0.0000784000000000, 0.0003763200000000 ] - [ 0.0007703500000000, 0.0002023900000000, 0.0003249000000000 ] - [ 0.0006304800000000, -0.0000787000000000, 0.0002707400000000 ] - [ -0.0136915200000000, -0.0014150500000000, -0.0003232200000000 ] - [ -0.0036759900000000, 0.0010435000000000, -0.0034749800000000 ] - [ -0.0036759800000000, 0.0010452600000000, 0.0028257700000000 ] - [ 0.0011308000000000, -0.0028888800000000, -0.0003234000000000 ] - [ 0.0010012600000000, -0.0022301500000000, -0.0002007400000000 ] - [ 0.0009989600000000, -0.0022284500000000, -0.0004482000000000 ] - [ 0.0014006100000000, -0.0039123800000000, -0.0027256100000000 ] - [ 0.0008468500000000, 0.0001878700000000, 0.0001647400000000 ] - [ 0.0014014800000000, -0.0039086800000000, 0.0030572700000000 ] - [ -0.0006857100000000, -0.0016051200000000, 0.0001473700000000 ] - [ -0.0006737600000000, -0.0015475200000000, 0.0001655100000000 ] - [ -0.0006846900000000, -0.0016029900000000, 0.0001843600000000 ] - [ 0.0017627300000000, 0.0003666200000000, -0.0001651600000000 ] - [ 0.0007471800000000, 0.0003293100000000, -0.0002414300000000 ] - [ 0.0007478600000000, 0.0003279500000000, -0.0000905400000000 ] - [ -0.0049237400000000, -0.0102486000000000, -0.0001673700000000 ] - [ -0.0022932400000000, -0.0024892400000000, 0.0026870400000000 ] - [ -0.0022933000000000, -0.0024930600000000, -0.0030185700000000 ] - [ 0.0120166800000000, 0.0765401000000000, -0.0001829800000000 ] - [ -0.0006488100000000, 0.0096203800000000, 0.0000673700000000 ] - [ -0.0006479300000000, 0.0096173800000000, -0.0004356300000000 ] - [ 0.0036424900000000, -0.0008370500000000, -0.0001838300000000 ] - [ 0.0029878400000000, -0.0005685100000000, -0.0000543600000000 ] - [ 0.0029843100000000, -0.0005672500000000, -0.0003147200000000 ] - [ -0.0023916700000000, -0.0001140800000000, 0.0000813900000000 ] - [ -0.0023987600000000, -0.0000646300000000, 0.0001841900000000 ] - [ -0.0023919900000000, -0.0001152800000000, 0.0002869200000000 ] - [ 0.0020271800000000, -0.0012514500000000, 0.0000761600000000 ] - [ 0.0022301800000000, -0.0009267200000000, 0.0001835700000000 ] - [ 0.0020269500000000, -0.0012507000000000, 0.0002923700000000 ] - [ 0.0004482200000000, -0.0008864000000000, -0.0002170800000000 ] - [ 0.0000821900000000, -0.0008217000000000, -0.0005122300000000 ] - [ 0.0000830400000000, -0.0008214300000000, 0.0000798900000000 ] - [ 0.0073542500000000, -0.0009903100000000, 0.0024580800000000 ] - [ 0.0007706100000000, 0.0010725000000000, 0.0002168100000000 ] - [ 0.0073520100000000, -0.0009908900000000, -0.0020255000000000 ] - [ -0.0004463600000000, -0.0017055600000000, 0.0000176200000000 ] - [ -0.0006120500000000, -0.0014073100000000, 0.0005054500000000 ] - [ -0.0004453400000000, -0.0017064600000000, 0.0009981600000000 ] - [ -0.0014773500000000, 0.0002655900000000, -0.0005074800000000 ] - [ -0.0005573400000000, 0.0007723400000000, -0.0001340600000000 ] - [ -0.0005577200000000, 0.0007728300000000, -0.0008808800000000 ] - [ 0.0011636500000000, 0.0012118700000000, -0.0000653700000000 ] - [ 0.0006710500000000, 0.0008339000000000, 0.0008407800000000 ] - [ 0.0006708000000000, 0.0008345000000000, -0.0009715400000000 ] - [ -0.0000175100000000, 0.0006520900000000, -0.0000654900000000 ] - [ -0.0000595500000000, 0.0005564100000000, -0.0000773100000000 ] - [ -0.0000603800000000, 0.0005564400000000, -0.0000533600000000 ] - [ 0.0001651400000000, -0.0005745700000000, -0.0000986200000000 ] - [ 0.0002874400000000, -0.0004673800000000, 0.0000655200000000 ] - [ 0.0001645300000000, -0.0005741700000000, 0.0002286100000000 ] - [ 0.0017458100000000, 0.0000954900000000, -0.0000169800000000 ] - [ 0.0004755400000000, -0.0001871400000000, 0.0000657000000000 ] - [ 0.0017462100000000, 0.0000954700000000, 0.0001484300000000 ] - [ -0.0035314500000000, -0.0117433800000000, 0.0066038100000000 ] - [ 0.0003357600000000, -0.0014105500000000, -0.0000304900000000 ] - [ -0.0035317000000000, -0.0117433600000000, -0.0066641400000000 ] - [ -0.0005694300000000, -0.0003803100000000, -0.0001861400000000 ] - [ -0.0005156800000000, -0.0005684500000000, -0.0000299300000000 ] - [ -0.0005682200000000, -0.0003803300000000, 0.0001255300000000 ] - [ 0.0003151500000000, 0.0004509000000000, 0.0000304700000000 ] - [ 0.0002086600000000, 0.0004880400000000, 0.0001962500000000 ] - [ 0.0002091200000000, 0.0004883900000000, -0.0001349900000000 ] - [ -0.0006597400000000, 0.0016008200000000, 0.0000301400000000 ] - [ -0.0005403900000000, 0.0009601200000000, 0.0003580200000000 ] - [ -0.0005404400000000, 0.0009607100000000, -0.0002978800000000 ] - [ -0.0041036300000000, -0.0076996900000000, 0.0002008600000000 ] - [ 0.0016794900000000, -0.0024750200000000, -0.0000237100000000 ] - [ 0.0016791700000000, -0.0024756700000000, 0.0004238600000000 ] - [ -0.0011780600000000, 0.0011242900000000, 0.0001988200000000 ] - [ -0.0011243900000000, 0.0011683100000000, 0.0000560200000000 ] - [ -0.0011244500000000, 0.0011683600000000, 0.0003425600000000 ] - [ 0.0024849300000000, 0.0018798500000000, 0.0001922400000000 ] - [ 0.0018905900000000, 0.0016564300000000, -0.0001993500000000 ] - [ 0.0024844600000000, 0.0018797600000000, -0.0005905900000000 ] - [ -0.0014090200000000, -0.0000294300000000, -0.0001346000000000 ] - [ -0.0013142500000000, -0.0001528600000000, -0.0001989000000000 ] - [ -0.0014086400000000, -0.0000292600000000, -0.0002635400000000 ] - [ 0.0038040300000000, -0.0130408200000000, 0.0000712200000000 ] - [ -0.0013267000000000, -0.0014386200000000, 0.0014105900000000 ] - [ -0.0013265300000000, -0.0014397900000000, -0.0012674600000000 ] - [ 0.0005160400000000, 0.0012159600000000, 0.0000714700000000 ] - [ 0.0005298500000000, 0.0011456800000000, 0.0000422000000000 ] - [ 0.0005296400000000, 0.0011452500000000, 0.0001004300000000 ] - [ 0.0003663100000000, -0.0006024900000000, -0.0001088400000000 ] - [ -0.0001224000000000, -0.0003964600000000, -0.0000713700000000 ] - [ 0.0003663800000000, -0.0006026600000000, -0.0000343400000000 ] - [ 0.0002977100000000, 0.0013027300000000, -0.0005869500000000 ] - [ 0.0002376000000000, 0.0004485800000000, -0.0000711200000000 ] - [ 0.0002978700000000, 0.0013026800000000, 0.0004447800000000 ] - [ -0.0028365500000000, -0.0117377500000000, -0.0076695700000000 ] - [ 0.0007598900000000, -0.0015335300000000, 0.0000525300000000 ] - [ -0.0028358500000000, -0.0117355700000000, 0.0077719700000000 ] - [ -0.0015873500000000, 0.0011518900000000, -0.0001548700000000 ] - [ -0.0016306200000000, 0.0011742000000000, 0.0000524600000000 ] - [ -0.0015873100000000, 0.0011516200000000, 0.0002601000000000 ] - [ 0.0011443100000000, -0.0000630000000000, -0.0000527100000000 ] - [ 0.0013177200000000, 0.0002985200000000, 0.0001120300000000 ] - [ 0.0013176400000000, 0.0002985500000000, -0.0002174000000000 ] - [ -0.0011082400000000, 0.0003198200000000, -0.0000527400000000 ] - [ -0.0012113500000000, 0.0001279000000000, -0.0001117600000000 ] - [ -0.0012111100000000, 0.0001281600000000, 0.0000068900000000 ] - [ -0.0010770100000000, 0.0005554500000000, 0.0003981100000000 ] - [ -0.0006097900000000, 0.0001509000000000, -0.0001183000000000 ] - [ -0.0010770500000000, 0.0005559100000000, -0.0006349400000000 ] - [ 0.0003255600000000, 0.0007825400000000, -0.0001365400000000 ] - [ 0.0003271800000000, 0.0005719700000000, -0.0001174200000000 ] - [ 0.0003249500000000, 0.0007823000000000, -0.0000996700000000 ] - [ 0.0021078100000000, -0.0048776900000000, 0.0001185900000000 ] - [ -0.0011970900000000, -0.0024237700000000, -0.0004523200000000 ] - [ -0.0011964800000000, -0.0024222900000000, 0.0006874200000000 ] - [ -0.0015314400000000, 0.0017964000000000, 0.0001194300000000 ] - [ -0.0007821200000000, 0.0007833300000000, -0.0009208000000000 ] - [ -0.0007825800000000, 0.0007826600000000, 0.0011565300000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0041730000000000, 0.0006303800000000, -0.0000815500000000 ] - [ -0.0008860700000000, -0.0007928300000000, 0.0021039300000000 ] - [ 0.0024020900000000, -0.0022295800000000, -0.0000374000000000 ] - [ 0.0006981100000000, 0.0005302700000000, 0.0002385900000000 ] - [ 0.0008839700000000, 0.0007937200000000, 0.0005020000000000 ] - [ 0.0010698100000000, 0.0010583400000000, 0.0002388200000000 ] - [ -0.0009018600000000, 0.0007766800000000, -0.0088177300000000 ] - [ 0.0024253900000000, 0.0022458800000000, 0.0036339100000000 ] - [ -0.0041782200000000, -0.0006405700000000, 0.0036347700000000 ] - [ 0.0008807000000000, -0.0007968800000000, -0.0005676600000000 ] - [ 0.0009266100000000, -0.0013186200000000, -0.0001981900000000 ] - [ 0.0008358500000000, -0.0002747600000000, -0.0001976000000000 ] - [ -0.0018138000000000, 0.0036281300000000, -0.0007358400000000 ] - [ 0.0006501800000000, 0.0006155800000000, 0.0017576500000000 ] - [ 0.0030870400000000, -0.0024016800000000, -0.0007108800000000 ] - [ -0.0006119700000000, -0.0005335700000000, 0.0001093500000000 ] - [ -0.0006482000000000, -0.0006126700000000, 0.0003032800000000 ] - [ -0.0006838900000000, -0.0006916000000000, 0.0001102300000000 ] - [ 0.0006527700000000, -0.0006112200000000, -0.0004343800000000 ] - [ 0.0012239900000000, -0.0007648200000000, 0.0000757800000000 ] - [ 0.0000829300000000, -0.0004595900000000, 0.0000808800000000 ] - [ -0.0006494400000000, 0.0006187000000000, -0.0066139800000000 ] - [ -0.0018891000000000, -0.0020826000000000, 0.0028856000000000 ] - [ 0.0005865400000000, 0.0032895000000000, 0.0028923800000000 ] - [ -0.0024702500000000, 0.0003580000000000, -0.0851721200000000 ] - [ -0.0034264600000000, 0.0006139900000000, 0.0186731500000000 ] - [ -0.0010245700000000, 0.0000492500000000, 0.0184596500000000 ] - [ 0.0022209000000000, -0.0003281100000000, -0.0002193800000000 ] - [ 0.0028607800000000, -0.0004610400000000, -0.0001410200000000 ] - [ 0.0015816900000000, -0.0001970400000000, -0.0001403500000000 ] - [ -0.0018023000000000, -0.0002278900000000, 0.0001524400000000 ] - [ -0.0022174600000000, -0.0003290200000000, 0.0003635800000000 ] - [ -0.0026285100000000, -0.0004319400000000, 0.0001547000000000 ] - [ 0.0020785900000000, 0.0002173600000000, 0.0000777300000000 ] - [ 0.0022179600000000, 0.0003270700000000, 0.0004706200000000 ] - [ 0.0023563700000000, 0.0004355100000000, 0.0000768700000000 ] - [ 0.0000012400000000, -0.0000030000000000, -0.0003523800000000 ] - [ -0.0001491700000000, -0.0000522600000000, -0.0001550100000000 ] - [ 0.0001492100000000, 0.0000487600000000, -0.0001494600000000 ] - [ 0.0069174700000000, -0.0016848900000000, -0.0008578900000000 ] - [ 0.0000031800000000, -0.0000020000000000, 0.0025789500000000 ] - [ -0.0068815500000000, 0.0016782100000000, -0.0008418500000000 ] - [ -0.0001831100000000, 0.0003406200000000, 0.0000030000000000 ] - [ -0.0000001100000000, -0.0000001600000000, 0.0014701400000000 ] - [ 0.0001857400000000, -0.0003412100000000, 0.0000013800000000 ] - [ 0.0000156700000000, 0.0000240400000000, -0.0009201100000000 ] - [ -0.0007457000000000, -0.0005489700000000, -0.0001533900000000 ] - [ 0.0007384500000000, 0.0005416800000000, -0.0001461900000000 ] - [ 0.0001717400000000, 0.0000383000000000, 0.0025237200000000 ] - [ -0.0000170200000000, -0.0005739900000000, -0.0010978000000000 ] - [ 0.0003600000000000, 0.0006679800000000, -0.0011048500000000 ] - [ -0.0001714200000000, -0.0000489100000000, 0.0000934800000000 ] - [ -0.0003331400000000, -0.0001052400000000, -0.0001405100000000 ] - [ -0.0000089700000000, 0.0000079400000000, -0.0001407700000000 ] - [ 0.0002252900000000, -0.0001292300000000, 0.0004325000000000 ] - [ 0.0001744800000000, -0.0000485800000000, -0.0004940200000000 ] - [ 0.0001011900000000, 0.0000304300000000, 0.0004128800000000 ] - [ 0.0008730600000000, 0.0005559500000000, 0.0006978200000000 ] - [ -0.0001710400000000, 0.0000495100000000, -0.0008621200000000 ] - [ -0.0012024600000000, -0.0004667700000000, 0.0006860000000000 ] - [ -0.0028875400000000, -0.0073568100000000, 0.0110170100000000 ] - [ 0.0003029900000000, -0.0000350200000000, -0.0036476000000000 ] - [ 0.0034587200000000, 0.0068326400000000, 0.0106899700000000 ] - [ 0.0000608300000000, -0.0001062500000000, 0.0004214300000000 ] - [ -0.0003034000000000, 0.0000457300000000, -0.0006697700000000 ] - [ -0.0006678400000000, 0.0001948300000000, 0.0004195400000000 ] - [ 0.0003017900000000, 0.0000464700000000, 0.0002199700000000 ] - [ 0.0002263600000000, 0.0000481900000000, -0.0000562800000000 ] - [ 0.0003767400000000, 0.0000445800000000, -0.0000581500000000 ] - [ -0.0003013100000000, -0.0000453800000000, 0.0005667400000000 ] - [ -0.0001721200000000, -0.0002903200000000, -0.0002668800000000 ] - [ -0.0004309500000000, 0.0001955300000000, -0.0002696400000000 ] - [ 0.0012876000000000, -0.0011057200000000, 0.0021545400000000 ] - [ 0.0033378500000000, -0.0012242100000000, -0.0007929600000000 ] - [ -0.0007675000000000, -0.0010093500000000, -0.0007892600000000 ] - [ -0.0012725300000000, 0.0011153500000000, 0.0004814000000000 ] - [ -0.0012572900000000, 0.0010239800000000, 0.0000808400000000 ] - [ -0.0012891300000000, 0.0012039400000000, 0.0000799300000000 ] - [ 0.0005882100000000, 0.0006727900000000, 0.0001439300000000 ] - [ 0.0012704500000000, 0.0011132500000000, -0.0011622500000000 ] - [ 0.0019559100000000, 0.0015559900000000, 0.0001432200000000 ] - [ -0.0014491200000000, -0.0008589900000000, 0.0000056100000000 ] - [ -0.0012723900000000, -0.0011152700000000, -0.0005636200000000 ] - [ -0.0010945500000000, -0.0013749200000000, 0.0000060000000000 ] - [ -0.0005102300000000, -0.0006870900000000, 0.0052003700000000 ] - [ 0.0005605800000000, -0.0014285800000000, -0.0011872800000000 ] - [ -0.0015867200000000, 0.0000382300000000, -0.0011857900000000 ] - [ 0.0005179500000000, 0.0006881200000000, 0.0001781100000000 ] - [ 0.0005448200000000, 0.0007571600000000, 0.0000193200000000 ] - [ 0.0004921400000000, 0.0006201700000000, 0.0000189300000000 ] - [ -0.0010981700000000, 0.0007844200000000, 0.0004591100000000 ] - [ -0.0005195200000000, 0.0006878800000000, -0.0010155400000000 ] - [ 0.0000550900000000, 0.0005944200000000, 0.0004597500000000 ] - [ 0.0006136200000000, 0.0001285300000000, 0.0002926700000000 ] - [ 0.0005203600000000, -0.0006898900000000, -0.0009327800000000 ] - [ 0.0004254600000000, -0.0015087800000000, 0.0002947900000000 ] - [ 0.0070904800000000, 0.0084652000000000, 0.0142690700000000 ] - [ 0.0013272300000000, -0.0005716800000000, -0.0037934300000000 ] - [ -0.0041074000000000, -0.0091263100000000, 0.0138533400000000 ] - [ -0.0013186700000000, 0.0005094200000000, 0.0002455300000000 ] - [ -0.0013367000000000, 0.0005598200000000, -0.0003496800000000 ] - [ -0.0013540000000000, 0.0006089800000000, 0.0002452300000000 ] - [ 0.0013317400000000, 0.0005623600000000, 0.0003822100000000 ] - [ 0.0013938700000000, 0.0004953900000000, -0.0002425300000000 ] - [ 0.0012750900000000, 0.0006231100000000, -0.0002493800000000 ] - [ -0.0013345900000000, -0.0005587600000000, 0.0001856400000000 ] - [ -0.0012262700000000, -0.0004172700000000, -0.0001522700000000 ] - [ -0.0014457300000000, -0.0007058800000000, -0.0001538100000000 ] - [ -0.0003213500000000, 0.0000361600000000, 0.0001217200000000 ] - [ -0.0003739600000000, -0.0000055500000000, -0.0004085500000000 ] - [ -0.0004318500000000, -0.0000358800000000, 0.0001164600000000 ] - [ 0.0004192400000000, 0.0000494000000000, -0.0000789200000000 ] - [ 0.0003758700000000, 0.0000010700000000, -0.0002186700000000 ] - [ 0.0003323100000000, -0.0000442600000000, -0.0000787300000000 ] - [ -0.0004356100000000, 0.0000124100000000, 0.0032188500000000 ] - [ -0.0018637200000000, 0.0003808100000000, -0.0012231100000000 ] - [ 0.0010996200000000, -0.0003748600000000, -0.0012268200000000 ] - [ 0.0003687000000000, -0.0000014000000000, 0.0021791800000000 ] - [ -0.0005036400000000, 0.0012296000000000, -0.0009056000000000 ] - [ 0.0012520000000000, -0.0012280600000000, -0.0009024500000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0024027000000000, -0.0022267300000000, 0.0006882200000000 ] - [ -0.0008870800000000, -0.0007901900000000, -0.0014540400000000 ] - [ -0.0041733200000000, 0.0006330200000000, 0.0007301900000000 ] - [ 0.0010708500000000, 0.0010565500000000, 0.0004075200000000 ] - [ 0.0008847500000000, 0.0007918100000000, 0.0001462400000000 ] - [ 0.0006996100000000, 0.0005279900000000, 0.0004088500000000 ] - [ -0.0009068400000000, 0.0007736900000000, 0.0081682300000000 ] - [ -0.0041798500000000, -0.0006438700000000, -0.0042830200000000 ] - [ 0.0024250200000000, 0.0022442000000000, -0.0042839800000000 ] - [ 0.0008807300000000, -0.0007936100000000, -0.0000796800000000 ] - [ 0.0008374600000000, -0.0002730300000000, -0.0004512800000000 ] - [ 0.0009273400000000, -0.0013146900000000, -0.0004505000000000 ] - [ 0.0030838700000000, -0.0024009100000000, 0.0010444600000000 ] - [ 0.0006460800000000, 0.0006155400000000, -0.0014254300000000 ] - [ -0.0018164100000000, 0.0036276400000000, 0.0010672100000000 ] - [ -0.0006811600000000, -0.0006937500000000, 0.0002214700000000 ] - [ -0.0006450900000000, -0.0006138000000000, 0.0000291300000000 ] - [ -0.0006080600000000, -0.0005330700000000, 0.0002221800000000 ] - [ 0.0006486200000000, -0.0006122400000000, 0.0001035100000000 ] - [ 0.0000774500000000, -0.0004601700000000, -0.0004120700000000 ] - [ 0.0012216100000000, -0.0007659400000000, -0.0004080300000000 ] - [ -0.0006454800000000, 0.0006214300000000, 0.0062824400000000 ] - [ 0.0005905100000000, 0.0032913400000000, -0.0032244400000000 ] - [ -0.0018846500000000, -0.0020846600000000, -0.0032182700000000 ] - [ -0.0024575700000000, 0.0003591300000000, 0.0848104300000000 ] - [ -0.0010222800000000, 0.0000499300000000, -0.0188280800000000 ] - [ -0.0034234500000000, 0.0006117000000000, -0.0190406700000000 ] - [ 0.0022182600000000, -0.0003289200000000, -0.0001483600000000 ] - [ 0.0015811200000000, -0.0001986100000000, -0.0002294900000000 ] - [ 0.0028559100000000, -0.0004585900000000, -0.0002277700000000 ] - [ -0.0026251700000000, -0.0004315400000000, 0.0002135300000000 ] - [ -0.0022150800000000, -0.0003295700000000, 0.0000051600000000 ] - [ -0.0017981400000000, -0.0002287200000000, 0.0002156600000000 ] - [ 0.0023546000000000, 0.0004348700000000, 0.0002923100000000 ] - [ 0.0022154600000000, 0.0003259300000000, -0.0001030100000000 ] - [ 0.0020735500000000, 0.0002185600000000, 0.0002920200000000 ] - [ 0.0000013000000000, -0.0000027900000000, -0.0000806300000000 ] - [ 0.0001492500000000, 0.0000486200000000, -0.0002833300000000 ] - [ -0.0001491800000000, -0.0000520200000000, -0.0002781900000000 ] - [ -0.0068823900000000, 0.0016788300000000, 0.0012754700000000 ] - [ 0.0000029900000000, -0.0000017700000000, -0.0021460000000000 ] - [ 0.0069165800000000, -0.0016846100000000, 0.0012896600000000 ] - [ 0.0001865900000000, -0.0003407200000000, 0.0010141000000000 ] - [ -0.0000016700000000, -0.0000006400000000, -0.0004557700000000 ] - [ -0.0001822600000000, 0.0003405800000000, 0.0010111700000000 ] - [ 0.0000154000000000, 0.0000199400000000, -0.0000946600000000 ] - [ 0.0007384000000000, 0.0005427600000000, -0.0008699100000000 ] - [ -0.0007457600000000, -0.0005478500000000, -0.0008605200000000 ] - [ 0.0001676200000000, 0.0000385000000000, -0.0026546200000000 ] - [ 0.0003594600000000, 0.0006666500000000, 0.0009739100000000 ] - [ -0.0000175200000000, -0.0005752400000000, 0.0009668600000000 ] - [ -0.0001700400000000, -0.0000480300000000, -0.0002243900000000 ] - [ -0.0000072300000000, 0.0000087400000000, 0.0000095100000000 ] - [ -0.0003315200000000, -0.0001045100000000, 0.0000096900000000 ] - [ 0.0001002000000000, 0.0000313400000000, -0.0002829500000000 ] - [ 0.0001721600000000, -0.0000476800000000, 0.0006248100000000 ] - [ 0.0002246100000000, -0.0001284500000000, -0.0003007200000000 ] - [ -0.0012014500000000, -0.0004668800000000, -0.0005567300000000 ] - [ -0.0001694200000000, 0.0000485000000000, 0.0009929700000000 ] - [ 0.0008740300000000, 0.0005557800000000, -0.0005657400000000 ] - [ 0.0034584700000000, 0.0068320000000000, -0.0107523500000000 ] - [ 0.0003027300000000, -0.0000357700000000, 0.0035863700000000 ] - [ -0.0028877300000000, -0.0073573300000000, -0.0110770300000000 ] - [ -0.0006670600000000, 0.0001956000000000, -0.0004802600000000 ] - [ -0.0003028200000000, 0.0000465200000000, 0.0006089000000000 ] - [ 0.0000615900000000, -0.0001055700000000, -0.0004819900000000 ] - [ 0.0003013100000000, 0.0000469500000000, -0.0001587700000000 ] - [ 0.0003761900000000, 0.0000451100000000, 0.0001194300000000 ] - [ 0.0002258500000000, 0.0000487100000000, 0.0001174900000000 ] - [ -0.0003009300000000, -0.0000457000000000, -0.0005065200000000 ] - [ -0.0004303800000000, 0.0001948800000000, 0.0003296900000000 ] - [ -0.0001715300000000, -0.0002909600000000, 0.0003275700000000 ] - [ 0.0012830500000000, -0.0011044400000000, -0.0017556200000000 ] - [ -0.0007674400000000, -0.0010089600000000, 0.0011886700000000 ] - [ 0.0033378500000000, -0.0012239200000000, 0.0011913000000000 ] - [ -0.0012735200000000, 0.0011143900000000, -0.0000833800000000 ] - [ -0.0012901100000000, 0.0012032100000000, 0.0003183700000000 ] - [ -0.0012582900000000, 0.0010233400000000, 0.0003170900000000 ] - [ 0.0019567700000000, 0.0015555600000000, -0.0005417400000000 ] - [ 0.0012717400000000, 0.0011123900000000, 0.0007639100000000 ] - [ 0.0005891300000000, 0.0006720800000000, -0.0005419900000000 ] - [ -0.0010950900000000, -0.0013742700000000, -0.0004054700000000 ] - [ -0.0012733600000000, -0.0011139500000000, 0.0001645800000000 ] - [ -0.0014499300000000, -0.0008582200000000, -0.0004042200000000 ] - [ -0.0005126800000000, -0.0006841300000000, -0.0050577300000000 ] - [ -0.0015870100000000, 0.0000394800000000, 0.0013285500000000 ] - [ 0.0005602000000000, -0.0014274200000000, 0.0013298500000000 ] - [ 0.0005181700000000, 0.0006876400000000, -0.0000357500000000 ] - [ 0.0004923700000000, 0.0006198000000000, 0.0001234100000000 ] - [ 0.0005450100000000, 0.0007568000000000, 0.0001232000000000 ] - [ 0.0000554700000000, 0.0005937700000000, -0.0006028000000000 ] - [ -0.0005197200000000, 0.0006874200000000, 0.0008722700000000 ] - [ -0.0010979100000000, 0.0007838700000000, -0.0006024100000000 ] - [ 0.0004257400000000, -0.0015083600000000, -0.0004368800000000 ] - [ 0.0005209800000000, -0.0006891900000000, 0.0007906600000000 ] - [ 0.0006139300000000, 0.0001290500000000, -0.0004351600000000 ] - [ -0.0041095100000000, -0.0091277300000000, -0.0137513400000000 ] - [ 0.0013269600000000, -0.0005708600000000, 0.0038985200000000 ] - [ 0.0070882100000000, 0.0084637700000000, -0.0141607100000000 ] - [ -0.0013535400000000, 0.0006085500000000, -0.0001403500000000 ] - [ -0.0013362800000000, 0.0005592600000000, 0.0004548000000000 ] - [ -0.0013182900000000, 0.0005091000000000, -0.0001405100000000 ] - [ 0.0013312700000000, 0.0005618800000000, -0.0004875100000000 ] - [ 0.0012746300000000, 0.0006226600000000, 0.0001439700000000 ] - [ 0.0013934300000000, 0.0004950300000000, 0.0001373100000000 ] - [ -0.0013343200000000, -0.0005586500000000, -0.0002910200000000 ] - [ -0.0014453200000000, -0.0007052600000000, 0.0000483500000000 ] - [ -0.0012259000000000, -0.0004166400000000, 0.0000472700000000 ] - [ -0.0004313700000000, -0.0000362700000000, -0.0003536000000000 ] - [ -0.0003734700000000, -0.0000055900000000, 0.0001713900000000 ] - [ -0.0003207800000000, 0.0000357300000000, -0.0003588400000000 ] - [ 0.0003316300000000, -0.0000439100000000, -0.0001574800000000 ] - [ 0.0003752600000000, 0.0000014400000000, -0.0000172000000000 ] - [ 0.0004186600000000, 0.0000498400000000, -0.0001569200000000 ] - [ -0.0004316000000000, 0.0000117200000000, -0.0029829000000000 ] - [ 0.0011003200000000, -0.0003742500000000, 0.0014628800000000 ] - [ -0.0018629500000000, 0.0003813400000000, 0.0014588600000000 ] - [ 0.0003686100000000, -0.0000017500000000, -0.0019425200000000 ] - [ 0.0012515100000000, -0.0012284500000000, 0.0011393700000000 ] - [ -0.0005042300000000, 0.0012289000000000, 0.0011422800000000 ]- atom: 37 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0015332200000000, -0.0014942500000000, 0.0001900200000000 ] - [ -0.0011885900000000, -0.0009564600000000, 0.0003233000000000 ] - [ -0.0015337200000000, -0.0014950200000000, 0.0004604300000000 ] - [ 0.0002363600000000, 0.0000839600000000, 0.0004625900000000 ] - [ 0.0005784000000000, 0.0006256400000000, 0.0003257700000000 ] - [ 0.0002338700000000, 0.0000818700000000, 0.0001847200000000 ] - [ 0.0004509900000000, 0.0011430100000000, -0.0003250400000000 ] - [ -0.0002732700000000, 0.0011039000000000, -0.0006622000000000 ] - [ -0.0002711300000000, 0.0011051700000000, 0.0000133900000000 ] - [ 0.0022174400000000, -0.0004395500000000, -0.0003225500000000 ] - [ 0.0014968300000000, -0.0004780000000000, 0.0000154700000000 ] - [ 0.0014946500000000, -0.0004752500000000, -0.0006635400000000 ] - [ 0.0032175400000000, -0.0045937800000000, 0.0054974900000000 ] - [ 0.0009356600000000, 0.0000631200000000, 0.0001640200000000 ] - [ 0.0032182600000000, -0.0045927500000000, -0.0051634200000000 ] - [ 0.0019111500000000, -0.0058068200000000, -0.0051490700000000 ] - [ -0.0003552800000000, -0.0011620800000000, 0.0001654900000000 ] - [ 0.0019109700000000, -0.0058032600000000, 0.0054784600000000 ] - [ 0.0008017900000000, -0.0001503000000000, -0.0001657500000000 ] - [ 0.0005674500000000, -0.0004974500000000, -0.0003918500000000 ] - [ 0.0005686600000000, -0.0004986700000000, 0.0000614500000000 ] - [ -0.0004874900000000, 0.0010780800000000, -0.0001653900000000 ] - [ -0.0007235300000000, 0.0007293600000000, 0.0000630200000000 ] - [ -0.0007224100000000, 0.0007265000000000, -0.0003938700000000 ] - [ -0.0017985900000000, -0.0001233300000000, -0.0001840500000000 ] - [ -0.0021414600000000, 0.0002435000000000, -0.0000364500000000 ] - [ -0.0021395300000000, 0.0002422300000000, -0.0003318200000000 ] - [ 0.0026292100000000, -0.0007739700000000, -0.0001851700000000 ] - [ 0.0022934600000000, -0.0004089700000000, -0.0003337600000000 ] - [ 0.0022903800000000, -0.0004048900000000, -0.0000357500000000 ] - [ -0.0037039400000000, 0.0069883300000000, -0.0067069600000000 ] - [ -0.0025279900000000, 0.0004456600000000, 0.0001844000000000 ] - [ -0.0037054500000000, 0.0069861900000000, 0.0070751300000000 ] - [ 0.0007203800000000, 0.0076620900000000, 0.0070936000000000 ] - [ 0.0019033100000000, 0.0010984900000000, 0.0001839500000000 ] - [ 0.0007179000000000, 0.0076605000000000, -0.0067247200000000 ] - [ -0.0765614100000000, -0.0040767400000000, -0.0002168500000000 ] - [ -0.0015491700000000, 0.0016747800000000, -0.0002239800000000 ] - [ -0.0015491400000000, 0.0016759600000000, -0.0002094300000000 ] - [ 0.0002093200000000, 0.0000594900000000, 0.0002165300000000 ] - [ 0.0000805400000000, 0.0000869500000000, 0.0002167800000000 ] - [ 0.0002099600000000, 0.0000587500000000, 0.0002160800000000 ] - [ 0.0023383500000000, -0.0002106900000000, 0.0005088400000000 ] - [ 0.0007552700000000, 0.0003607000000000, 0.0005061700000000 ] - [ 0.0023368000000000, -0.0002138200000000, 0.0005068500000000 ] - [ -0.0005654800000000, -0.0000847900000000, -0.0005071800000000 ] - [ -0.0003258000000000, 0.0000775700000000, -0.0005073100000000 ] - [ -0.0003265800000000, 0.0000771200000000, -0.0005075900000000 ] - [ -0.0028212200000000, 0.0010094800000000, -0.0000661600000000 ] - [ -0.0006922500000000, -0.0000137500000000, -0.0005324100000000 ] - [ -0.0006923000000000, -0.0000132800000000, 0.0004010500000000 ] - [ -0.0031685200000000, 0.0009146200000000, -0.0000648300000000 ] - [ -0.0010365700000000, -0.0001128000000000, 0.0004004100000000 ] - [ -0.0010365400000000, -0.0001126500000000, -0.0005307100000000 ] - [ 0.0004281800000000, -0.0001096200000000, 0.0002676300000000 ] - [ 0.0002874900000000, -0.0000620000000000, 0.0000653800000000 ] - [ 0.0004277800000000, -0.0001095400000000, -0.0001369100000000 ] - [ 0.0000835400000000, -0.0000095800000000, -0.0001377800000000 ] - [ -0.0000571700000000, 0.0000376500000000, 0.0000653200000000 ] - [ 0.0000838500000000, -0.0000094700000000, 0.0002688600000000 ] - [ 0.0002272100000000, -0.0000560900000000, -0.0001198600000000 ] - [ 0.0002308500000000, -0.0000530500000000, -0.0000306200000000 ] - [ 0.0002274300000000, -0.0000561200000000, 0.0000588300000000 ] - [ -0.0003778700000000, 0.0000369200000000, 0.0000586700000000 ] - [ -0.0003744900000000, 0.0000404200000000, -0.0000303400000000 ] - [ -0.0003778100000000, 0.0000369900000000, -0.0001193300000000 ] - [ 0.0284432100000000, 0.0017514600000000, 0.0000329500000000 ] - [ 0.0008201700000000, -0.0000706800000000, 0.0012708000000000 ] - [ 0.0008202900000000, -0.0000706900000000, -0.0012092900000000 ] - [ 0.0295502900000000, 0.0018982400000000, 0.0000275000000000 ] - [ 0.0002192600000000, -0.0001630200000000, -0.0012165600000000 ] - [ 0.0002194000000000, -0.0001629400000000, 0.0012769100000000 ] - [ 0.0017144300000000, -0.0008451200000000, 0.0001993000000000 ] - [ 0.0014016900000000, -0.0010787700000000, 0.0001288600000000 ] - [ 0.0014014700000000, -0.0010787200000000, 0.0002700500000000 ] - [ -0.0008334000000000, 0.0013834900000000, 0.0001993600000000 ] - [ -0.0011441400000000, 0.0011511300000000, 0.0002701400000000 ] - [ -0.0011443100000000, 0.0011510600000000, 0.0001281700000000 ] - [ -0.0006526800000000, 0.0000836400000000, 0.0005584800000000 ] - [ 0.0009203400000000, 0.0010763400000000, -0.0001991400000000 ] - [ -0.0006535500000000, 0.0000838100000000, -0.0009567000000000 ] - [ -0.0031988100000000, -0.0021452200000000, -0.0009572300000000 ] - [ -0.0016243800000000, -0.0011536600000000, -0.0001994800000000 ] - [ -0.0031998000000000, -0.0021448800000000, 0.0005583600000000 ] - [ -0.0004460000000000, 0.0010526300000000, 0.0000715200000000 ] - [ 0.0000141700000000, -0.0003901200000000, -0.0002391500000000 ] - [ 0.0000139500000000, -0.0003897800000000, 0.0003822200000000 ] - [ 0.0005950700000000, 0.0024232900000000, 0.0000711300000000 ] - [ 0.0010523200000000, 0.0009898000000000, 0.0003825500000000 ] - [ 0.0010520600000000, 0.0009897400000000, -0.0002402600000000 ] - [ -0.0008557100000000, 0.0001410300000000, -0.0000239200000000 ] - [ -0.0004663400000000, 0.0005839400000000, -0.0000715400000000 ] - [ -0.0008555900000000, 0.0001411600000000, -0.0001192600000000 ] - [ 0.0001844200000000, -0.0012392100000000, -0.0001182000000000 ] - [ 0.0005741200000000, -0.0007965200000000, -0.0000711200000000 ] - [ 0.0001845200000000, -0.0012390500000000, -0.0000238800000000 ] - [ 0.0007436600000000, -0.0002848900000000, -0.0000966300000000 ] - [ 0.0010560800000000, -0.0005092300000000, 0.0000526100000000 ] - [ 0.0007434800000000, -0.0002852900000000, 0.0002018200000000 ] - [ -0.0019276400000000, 0.0008341600000000, 0.0002017700000000 ] - [ -0.0016167800000000, 0.0006109300000000, 0.0000525600000000 ] - [ -0.0019277200000000, 0.0008338000000000, -0.0000965400000000 ] - [ 0.0023988900000000, -0.0010927900000000, -0.0000526500000000 ] - [ 0.0025036200000000, 0.0003350700000000, 0.0002542500000000 ] - [ 0.0025035400000000, 0.0003346900000000, -0.0003594400000000 ] - [ -0.0002696300000000, -0.0022177700000000, -0.0000526000000000 ] - [ -0.0001642000000000, -0.0007871900000000, -0.0003600800000000 ] - [ -0.0001642700000000, -0.0007874100000000, 0.0002549100000000 ] - [ 0.0041848100000000, -0.0018174300000000, 0.0018554700000000 ] - [ 0.0001852700000000, 0.0000786400000000, -0.0001184800000000 ] - [ 0.0041841400000000, -0.0018157600000000, -0.0020909400000000 ] - [ 0.0049792400000000, -0.0018899900000000, -0.0021795500000000 ] - [ 0.0009363400000000, 0.0000797800000000, -0.0001179300000000 ] - [ 0.0049782800000000, -0.0018886100000000, 0.0019418100000000 ] - [ -0.0006524600000000, -0.0000160200000000, 0.0001180200000000 ] - [ -0.0005205800000000, -0.0000956800000000, 0.0001119400000000 ] - [ -0.0005202500000000, -0.0000956000000000, 0.0001241300000000 ] - [ 0.0000980700000000, -0.0000173300000000, 0.0001184700000000 ] - [ 0.0002290200000000, -0.0000973800000000, 0.0001248300000000 ] - [ 0.0002292800000000, -0.0000972700000000, 0.0001122400000000 ]- atom: 37 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0013472700000000, 0.0038650900000000, 0.0004322700000000 ] - [ -0.0009116600000000, 0.0002956200000000, 0.0003237200000000 ] - [ -0.0013478200000000, 0.0038658300000000, 0.0002181400000000 ] - [ 0.0004193100000000, 0.0054601200000000, 0.0002323800000000 ] - [ 0.0008559600000000, 0.0018841000000000, 0.0003262700000000 ] - [ 0.0004164500000000, 0.0054577700000000, 0.0004158800000000 ] - [ -0.0007187400000000, 0.0005858800000000, -0.0003228800000000 ] - [ -0.0008365100000000, 0.0006549000000000, -0.0004285900000000 ] - [ -0.0008354200000000, 0.0006570700000000, -0.0002218500000000 ] - [ 0.0010510100000000, -0.0010023600000000, -0.0003231400000000 ] - [ 0.0009353500000000, -0.0009311200000000, -0.0002192300000000 ] - [ 0.0009334600000000, -0.0009292100000000, -0.0004280300000000 ] - [ -0.0031926500000000, -0.0014912300000000, 0.0007076700000000 ] - [ -0.0002091300000000, -0.0008998800000000, 0.0001640800000000 ] - [ -0.0031907800000000, -0.0014902200000000, -0.0003748100000000 ] - [ -0.0044824900000000, -0.0027336200000000, -0.0003796700000000 ] - [ -0.0014986500000000, -0.0021286100000000, 0.0001653700000000 ] - [ -0.0044811900000000, -0.0027306300000000, 0.0007107000000000 ] - [ 0.0011470900000000, 0.0006567400000000, -0.0001650500000000 ] - [ 0.0009297800000000, 0.0003440100000000, -0.0002404700000000 ] - [ 0.0009309700000000, 0.0003425300000000, -0.0000915800000000 ] - [ -0.0001353600000000, 0.0018936300000000, -0.0001665700000000 ] - [ -0.0003553100000000, 0.0015765200000000, -0.0000887000000000 ] - [ -0.0003543400000000, 0.0015735300000000, -0.0002423900000000 ] - [ -0.0028352400000000, 0.0012006900000000, -0.0001830600000000 ] - [ -0.0026508400000000, 0.0011377500000000, -0.0001342800000000 ] - [ -0.0026488800000000, 0.0011346300000000, -0.0002346900000000 ] - [ 0.0015882400000000, 0.0005572400000000, -0.0001848500000000 ] - [ 0.0017802600000000, 0.0004899100000000, -0.0002342900000000 ] - [ 0.0017760700000000, 0.0004924700000000, -0.0001343600000000 ] - [ 0.0038389500000000, 0.0006755000000000, -0.0014945700000000 ] - [ -0.0009117200000000, -0.0014033900000000, 0.0001841000000000 ] - [ 0.0038386200000000, 0.0006745700000000, 0.0018639600000000 ] - [ 0.0082838700000000, 0.0013110600000000, 0.0018678200000000 ] - [ 0.0035163900000000, -0.0007541600000000, 0.0001836900000000 ] - [ 0.0082818300000000, 0.0013110800000000, -0.0014994000000000 ] - [ -0.0040706700000000, -0.0485841500000000, -0.0002185100000000 ] - [ 0.0016757600000000, -0.0119881700000000, -0.0002051500000000 ] - [ 0.0016763400000000, -0.0119875100000000, -0.0002279100000000 ] - [ -0.0000589800000000, 0.0005434700000000, 0.0002167200000000 ] - [ -0.0000875000000000, 0.0005473000000000, 0.0002167700000000 ] - [ -0.0000591100000000, 0.0005432300000000, 0.0002156400000000 ] - [ 0.0002156100000000, -0.0008874100000000, 0.0005081400000000 ] - [ -0.0001308800000000, -0.0007871200000000, 0.0005058600000000 ] - [ 0.0002149100000000, -0.0008870900000000, 0.0005103100000000 ] - [ 0.0001215700000000, 0.0015616100000000, -0.0005076300000000 ] - [ -0.0000594800000000, 0.0013220200000000, -0.0005070900000000 ] - [ -0.0000597800000000, 0.0013222600000000, -0.0005084100000000 ] - [ -0.0004470600000000, 0.0010597500000000, -0.0000655100000000 ] - [ 0.0003391300000000, 0.0005624600000000, 0.0000108400000000 ] - [ 0.0003391000000000, 0.0005625500000000, -0.0001419600000000 ] - [ -0.0007909800000000, 0.0009603200000000, -0.0000653300000000 ] - [ -0.0000027100000000, 0.0004613800000000, -0.0001416300000000 ] - [ -0.0000029000000000, 0.0004618200000000, 0.0000105600000000 ] - [ 0.0000619600000000, -0.0008954500000000, 0.0001853800000000 ] - [ 0.0002374900000000, -0.0007036900000000, 0.0000653300000000 ] - [ 0.0000620100000000, -0.0008953000000000, -0.0000543400000000 ] - [ -0.0002798700000000, -0.0007956700000000, -0.0000568300000000 ] - [ -0.0001057500000000, -0.0006028500000000, 0.0000653200000000 ] - [ -0.0002799200000000, -0.0007957100000000, 0.0001874400000000 ] - [ 0.0002791200000000, -0.0007477700000000, -0.0000378000000000 ] - [ 0.0003008000000000, -0.0006740700000000, -0.0000306100000000 ] - [ 0.0002793200000000, -0.0007476100000000, -0.0000234700000000 ] - [ -0.0003224200000000, -0.0006536500000000, -0.0000242600000000 ] - [ -0.0003015100000000, -0.0005795800000000, -0.0000304400000000 ] - [ -0.0003226900000000, -0.0006538400000000, -0.0000364600000000 ] - [ 0.0029731700000000, 0.0048833000000000, 0.0000305900000000 ] - [ 0.0001309300000000, 0.0026888600000000, 0.0003158700000000 ] - [ 0.0001311500000000, 0.0026888400000000, -0.0002545100000000 ] - [ 0.0022328600000000, 0.0047567700000000, 0.0000301900000000 ] - [ -0.0004774700000000, 0.0025903700000000, -0.0002584200000000 ] - [ -0.0004775400000000, 0.0025908200000000, 0.0003187800000000 ] - [ 0.0016337000000000, -0.0020773800000000, 0.0001996700000000 ] - [ 0.0014720400000000, -0.0018496200000000, 0.0003654100000000 ] - [ 0.0014720500000000, -0.0018497500000000, 0.0000338200000000 ] - [ -0.0009152400000000, 0.0001498900000000, 0.0001990100000000 ] - [ -0.0010758400000000, 0.0003785300000000, 0.0000326400000000 ] - [ -0.0010757200000000, 0.0003783100000000, 0.0003653200000000 ] - [ 0.0006910700000000, 0.0014593500000000, -0.0002126200000000 ] - [ 0.0011947100000000, 0.0014170300000000, -0.0001990600000000 ] - [ 0.0006909900000000, 0.0014592700000000, -0.0001858300000000 ] - [ -0.0018546800000000, -0.0007664200000000, -0.0001830500000000 ] - [ -0.0013541500000000, -0.0008115600000000, -0.0001994400000000 ] - [ -0.0018547200000000, -0.0007663600000000, -0.0002161000000000 ] - [ 0.0004575000000000, -0.0011817800000000, 0.0000714400000000 ] - [ 0.0004812400000000, -0.0013341900000000, 0.0009341800000000 ] - [ 0.0004812000000000, -0.0013342000000000, -0.0007914400000000 ] - [ 0.0015025900000000, 0.0001894700000000, 0.0000712800000000 ] - [ 0.0015213900000000, 0.0000431100000000, -0.0007896500000000 ] - [ 0.0015209800000000, 0.0000426400000000, 0.0009319700000000 ] - [ -0.0009792300000000, 0.0003199400000000, 0.0000077900000000 ] - [ -0.0007803800000000, 0.0006180600000000, -0.0000716400000000 ] - [ -0.0009795500000000, 0.0003201400000000, -0.0001511400000000 ] - [ 0.0000596000000000, -0.0010557800000000, -0.0001514100000000 ] - [ 0.0002598400000000, -0.0007585000000000, -0.0000711200000000 ] - [ 0.0000597000000000, -0.0010555400000000, 0.0000093700000000 ] - [ 0.0016112600000000, -0.0006030500000000, 0.0001175000000000 ] - [ 0.0016749000000000, -0.0005541800000000, 0.0000524900000000 ] - [ 0.0016117600000000, -0.0006033700000000, -0.0000125100000000 ] - [ -0.0010589600000000, 0.0005169100000000, -0.0000127800000000 ] - [ -0.0009971900000000, 0.0005655100000000, 0.0000524500000000 ] - [ -0.0010589200000000, 0.0005169800000000, 0.0001179500000000 ] - [ 0.0003174200000000, -0.0008741200000000, -0.0000525400000000 ] - [ 0.0004782800000000, -0.0001823300000000, 0.0008262700000000 ] - [ 0.0004779500000000, -0.0001824700000000, -0.0009315400000000 ] - [ -0.0023615000000000, -0.0020035000000000, -0.0000527800000000 ] - [ -0.0021922900000000, -0.0013019600000000, -0.0009285800000000 ] - [ -0.0021924500000000, -0.0013018400000000, 0.0008237700000000 ] - [ -0.0026538400000000, 0.0116817200000000, -0.0072686600000000 ] - [ -0.0005876300000000, 0.0006565100000000, -0.0001184800000000 ] - [ -0.0026525600000000, 0.0116743900000000, 0.0070238500000000 ] - [ -0.0019799900000000, 0.0119825000000000, 0.0074524100000000 ] - [ 0.0001598700000000, 0.0006576000000000, -0.0001180400000000 ] - [ -0.0019785400000000, 0.0119750300000000, -0.0076805400000000 ] - [ -0.0003377700000000, -0.0003875700000000, 0.0001177600000000 ] - [ -0.0003322900000000, -0.0004045600000000, 0.0001413600000000 ] - [ -0.0003323000000000, -0.0004044600000000, 0.0000947800000000 ] - [ 0.0004111000000000, -0.0003896800000000, 0.0001182000000000 ] - [ 0.0004154900000000, -0.0004067200000000, 0.0000957300000000 ] - [ 0.0004154900000000, -0.0004063200000000, 0.0001414700000000 ]- atom: 37 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0005965200000000, -0.0058392300000000, -0.0013367100000000 ] - [ -0.0008824100000000, -0.0007916500000000, 0.0020760700000000 ] - [ -0.0011681200000000, 0.0042473200000000, -0.0013422300000000 ] - [ 0.0005965200000000, 0.0058392300000000, -0.0013367100000000 ] - [ 0.0008824100000000, 0.0007916500000000, 0.0020760700000000 ] - [ 0.0011681200000000, -0.0042473200000000, -0.0013422300000000 ] - [ -0.0008812800000000, 0.0007920200000000, -0.0006307300000000 ] - [ -0.0008408100000000, 0.0006719600000000, -0.0001550800000000 ] - [ -0.0009230800000000, 0.0009103700000000, -0.0001545200000000 ] - [ 0.0008812800000000, -0.0007920200000000, -0.0006307300000000 ] - [ 0.0008408100000000, -0.0006719600000000, -0.0001550800000000 ] - [ 0.0009230800000000, -0.0009103700000000, -0.0001545200000000 ] - [ 0.0052019800000000, 0.0003308000000000, -0.0009704000000000 ] - [ 0.0006497300000000, 0.0006079700000000, 0.0023861200000000 ] - [ -0.0038953500000000, 0.0008938600000000, -0.0009619500000000 ] - [ -0.0052019800000000, -0.0003308000000000, -0.0009704000000000 ] - [ -0.0006497300000000, -0.0006079700000000, 0.0023861200000000 ] - [ 0.0038953500000000, -0.0008938600000000, -0.0009619500000000 ] - [ 0.0006485400000000, -0.0006118200000000, -0.0006254800000000 ] - [ 0.0003636700000000, -0.0009396300000000, 0.0000342500000000 ] - [ 0.0009337900000000, -0.0002822200000000, 0.0000337400000000 ] - [ -0.0006485400000000, 0.0006118200000000, -0.0006254800000000 ] - [ -0.0003636700000000, 0.0009396300000000, 0.0000342500000000 ] - [ -0.0009337900000000, 0.0002822200000000, 0.0000337400000000 ] - [ -0.0022188600000000, 0.0003278400000000, -0.0003259400000000 ] - [ -0.0018294600000000, 0.0000325000000000, -0.0001255500000000 ] - [ -0.0026114800000000, 0.0006240700000000, -0.0001260000000000 ] - [ 0.0022188600000000, -0.0003278400000000, -0.0003259400000000 ] - [ 0.0018294600000000, -0.0000325000000000, -0.0001255500000000 ] - [ 0.0026114800000000, -0.0006240700000000, -0.0001260000000000 ] - [ -0.0089255800000000, -0.0025754300000000, -0.0008951800000000 ] - [ -0.0022192400000000, -0.0003322600000000, 0.0025403200000000 ] - [ 0.0044739300000000, 0.0019162700000000, -0.0008807800000000 ] - [ 0.0089255800000000, 0.0025754300000000, -0.0008951800000000 ] - [ 0.0022192400000000, 0.0003322600000000, 0.0025403200000000 ] - [ -0.0044739300000000, -0.0019162700000000, -0.0008807800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0670618600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0110081400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0109078000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001368800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003814200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001369200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001515800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012044000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001578300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010654100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002194300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002209900000000 ] - [ 0.0001698300000000, 0.0000447300000000, 0.0005566600000000 ] - [ -0.0001611200000000, 0.0001677400000000, -0.0004196900000000 ] - [ 0.0004967200000000, -0.0000767300000000, -0.0004202700000000 ] - [ -0.0001698300000000, -0.0000447300000000, 0.0005566600000000 ] - [ 0.0001611200000000, -0.0001677400000000, -0.0004196900000000 ] - [ -0.0004967200000000, 0.0000767300000000, -0.0004202700000000 ] - [ 0.0006427700000000, 0.0002194800000000, 0.0003480700000000 ] - [ 0.0001690300000000, -0.0000455700000000, -0.0005000100000000 ] - [ -0.0003047100000000, -0.0003098800000000, 0.0003485900000000 ] - [ -0.0006427700000000, -0.0002194800000000, 0.0003480700000000 ] - [ -0.0001690300000000, 0.0000455700000000, -0.0005000100000000 ] - [ 0.0003047100000000, 0.0003098800000000, 0.0003485900000000 ] - [ 0.0002240400000000, -0.0000634700000000, 0.0001106200000000 ] - [ 0.0003007700000000, -0.0000468400000000, -0.0002999400000000 ] - [ 0.0003771700000000, -0.0000299000000000, 0.0001109500000000 ] - [ -0.0002240400000000, 0.0000634700000000, 0.0001106200000000 ] - [ -0.0003007700000000, 0.0000468400000000, -0.0002999400000000 ] - [ -0.0003771700000000, 0.0000299000000000, 0.0001109500000000 ] - [ 0.0003914800000000, 0.0000548500000000, 0.0047453000000000 ] - [ 0.0018690100000000, 0.0003355300000000, -0.0019722200000000 ] - [ -0.0012633900000000, -0.0002406000000000, -0.0019630100000000 ] - [ -0.0003914800000000, -0.0000548500000000, 0.0047453000000000 ] - [ -0.0018690100000000, -0.0003355300000000, -0.0019722200000000 ] - [ 0.0012633900000000, 0.0002406000000000, -0.0019630100000000 ] - [ 0.0012729400000000, -0.0011127200000000, 0.0013334600000000 ] - [ 0.0011834500000000, -0.0008577300000000, -0.0002711200000000 ] - [ 0.0013639000000000, -0.0013674700000000, -0.0002689300000000 ] - [ -0.0012729400000000, 0.0011127200000000, 0.0013334600000000 ] - [ -0.0011834500000000, 0.0008577300000000, -0.0002711200000000 ] - [ -0.0013639000000000, 0.0013674700000000, -0.0002689300000000 ] - [ 0.0016784200000000, 0.0007272800000000, 0.0001086400000000 ] - [ 0.0012744200000000, 0.0011137200000000, -0.0006080100000000 ] - [ 0.0008684300000000, 0.0014966100000000, 0.0001057900000000 ] - [ -0.0016784200000000, -0.0007272800000000, 0.0001086400000000 ] - [ -0.0012744200000000, -0.0011137200000000, -0.0006080100000000 ] - [ -0.0008684300000000, -0.0014966100000000, 0.0001057900000000 ] - [ -0.0005214100000000, -0.0006880000000000, 0.0021999500000000 ] - [ -0.0013101900000000, 0.0000959300000000, -0.0013880500000000 ] - [ 0.0002712800000000, -0.0014759000000000, -0.0013883300000000 ] - [ 0.0005214100000000, 0.0006880000000000, 0.0021999500000000 ] - [ 0.0013101900000000, -0.0000959300000000, -0.0013880500000000 ] - [ -0.0002712800000000, 0.0014759000000000, -0.0013883300000000 ] - [ -0.0002699900000000, 0.0011027400000000, 0.0001126600000000 ] - [ -0.0005188800000000, 0.0006896900000000, -0.0004350400000000 ] - [ -0.0007674400000000, 0.0002767300000000, 0.0001127400000000 ] - [ 0.0002699900000000, -0.0011027400000000, 0.0001126600000000 ] - [ 0.0005188800000000, -0.0006896900000000, -0.0004350400000000 ] - [ 0.0007674400000000, -0.0002767300000000, 0.0001127400000000 ] - [ 0.0012316100000000, -0.0004261200000000, 0.0002298800000000 ] - [ 0.0013356500000000, -0.0005596700000000, -0.0003477300000000 ] - [ 0.0014383800000000, -0.0006935000000000, 0.0002299700000000 ] - [ -0.0012316100000000, 0.0004261200000000, 0.0002298800000000 ] - [ -0.0013356500000000, 0.0005596700000000, -0.0003477300000000 ] - [ -0.0014383800000000, 0.0006935000000000, 0.0002299700000000 ] - [ 0.0013381100000000, 0.0005600100000000, 0.0022141800000000 ] - [ 0.0021997500000000, 0.0013570200000000, -0.0014742500000000 ] - [ 0.0004710200000000, -0.0002375000000000, -0.0014750500000000 ] - [ -0.0013381100000000, -0.0005600100000000, 0.0022141800000000 ] - [ -0.0021997500000000, -0.0013570200000000, -0.0014742500000000 ] - [ -0.0004710200000000, 0.0002375000000000, -0.0014750500000000 ] - [ 0.0021396100000000, -0.0080642000000000, 0.0134092200000000 ] - [ -0.0003753500000000, -0.0000041800000000, -0.0025477000000000 ] - [ -0.0027840300000000, 0.0075005300000000, 0.0128658000000000 ] - [ -0.0021396100000000, 0.0080642000000000, 0.0134092200000000 ] - [ 0.0003753500000000, 0.0000041800000000, -0.0025477000000000 ] - [ 0.0027840300000000, -0.0075005300000000, 0.0128658000000000 ] - [ -0.0003751000000000, 0.0000046400000000, 0.0002644700000000 ] - [ -0.0004268300000000, 0.0000159000000000, 0.0000369300000000 ] - [ -0.0003228400000000, -0.0000065100000000, 0.0000368600000000 ] - [ 0.0003751000000000, -0.0000046400000000, 0.0002644700000000 ] - [ 0.0004268300000000, -0.0000159000000000, 0.0000369300000000 ] - [ 0.0003228400000000, 0.0000065100000000, 0.0000368600000000 ]- atom: 37 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0011743900000000, 0.0042432600000000, 0.0019911600000000 ] - [ -0.0008871500000000, -0.0007946300000000, -0.0014270300000000 ] - [ -0.0006009700000000, -0.0058415400000000, 0.0019855300000000 ] - [ 0.0011743900000000, -0.0042432600000000, 0.0019911600000000 ] - [ 0.0008871500000000, 0.0007946300000000, -0.0014270300000000 ] - [ 0.0006009700000000, 0.0058415400000000, 0.0019855300000000 ] - [ -0.0008875400000000, 0.0007954500000000, -0.0000167500000000 ] - [ -0.0009301000000000, 0.0009132100000000, -0.0004939800000000 ] - [ -0.0008453500000000, 0.0006751500000000, -0.0004943800000000 ] - [ 0.0008875400000000, -0.0007954500000000, -0.0000167500000000 ] - [ 0.0009301000000000, -0.0009132100000000, -0.0004939800000000 ] - [ 0.0008453500000000, -0.0006751500000000, -0.0004943800000000 ] - [ -0.0039036800000000, 0.0008979500000000, 0.0012952400000000 ] - [ 0.0006417100000000, 0.0006126100000000, -0.0020554600000000 ] - [ 0.0051937900000000, 0.0003330500000000, 0.0013009300000000 ] - [ 0.0039036800000000, -0.0008979500000000, 0.0012952400000000 ] - [ -0.0006417100000000, -0.0006126100000000, -0.0020554600000000 ] - [ -0.0051937900000000, -0.0003330500000000, 0.0013009300000000 ] - [ 0.0006413000000000, -0.0006145700000000, 0.0002932000000000 ] - [ 0.0009249300000000, -0.0002868800000000, -0.0003640700000000 ] - [ 0.0003563000000000, -0.0009418600000000, -0.0003663200000000 ] - [ -0.0006413000000000, 0.0006145700000000, 0.0002932000000000 ] - [ -0.0009249300000000, 0.0002868800000000, -0.0003640700000000 ] - [ -0.0003563000000000, 0.0009418600000000, -0.0003663200000000 ] - [ -0.0022092000000000, 0.0003241000000000, -0.0000424000000000 ] - [ -0.0026048700000000, 0.0006227000000000, -0.0002431800000000 ] - [ -0.0018188900000000, 0.0000257200000000, -0.0002422800000000 ] - [ 0.0022092000000000, -0.0003241000000000, -0.0000424000000000 ] - [ 0.0026048700000000, -0.0006227000000000, -0.0002431800000000 ] - [ 0.0018188900000000, -0.0000257200000000, -0.0002422800000000 ] - [ 0.0044832800000000, 0.0019218400000000, 0.0012496100000000 ] - [ -0.0022107800000000, -0.0003265600000000, -0.0021718200000000 ] - [ -0.0089147800000000, -0.0025706400000000, 0.0012627500000000 ] - [ -0.0044832800000000, -0.0019218400000000, 0.0012496100000000 ] - [ 0.0022107800000000, 0.0003265600000000, -0.0021718200000000 ] - [ 0.0089147800000000, 0.0025706400000000, 0.0012627500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0666236800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0113404600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0114410200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002959600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000517600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002957600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008582700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001903600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008626900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000511000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007945900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007949300000000 ] - [ 0.0001737100000000, 0.0000480500000000, -0.0006877800000000 ] - [ 0.0005007100000000, -0.0000733400000000, 0.0002894200000000 ] - [ -0.0001567200000000, 0.0001714000000000, 0.0002889800000000 ] - [ -0.0001737100000000, -0.0000480500000000, -0.0006877800000000 ] - [ -0.0005007100000000, 0.0000733400000000, 0.0002894200000000 ] - [ 0.0001567200000000, -0.0001714000000000, 0.0002889800000000 ] - [ -0.0003003000000000, -0.0003129200000000, -0.0002179900000000 ] - [ 0.0001727900000000, -0.0000492100000000, 0.0006312100000000 ] - [ 0.0006472000000000, 0.0002162500000000, -0.0002174500000000 ] - [ 0.0003003000000000, 0.0003129200000000, -0.0002179900000000 ] - [ -0.0001727900000000, 0.0000492100000000, 0.0006312100000000 ] - [ -0.0006472000000000, -0.0002162500000000, -0.0002174500000000 ] - [ 0.0003781200000000, -0.0000325600000000, -0.0001720400000000 ] - [ 0.0003017600000000, -0.0000497300000000, 0.0002392000000000 ] - [ 0.0002247900000000, -0.0000657100000000, -0.0001715100000000 ] - [ -0.0003781200000000, 0.0000325600000000, -0.0001720400000000 ] - [ -0.0003017600000000, 0.0000497300000000, 0.0002392000000000 ] - [ -0.0002247900000000, 0.0000657100000000, -0.0001715100000000 ] - [ 0.0003865400000000, 0.0000572900000000, -0.0046842000000000 ] - [ -0.0012629200000000, -0.0002373700000000, 0.0020242300000000 ] - [ 0.0018699300000000, 0.0003382300000000, 0.0020330500000000 ] - [ -0.0003865400000000, -0.0000572900000000, -0.0046842000000000 ] - [ 0.0012629200000000, 0.0002373700000000, 0.0020242300000000 ] - [ -0.0018699300000000, -0.0003382300000000, 0.0020330500000000 ] - [ 0.0012705800000000, -0.0011154800000000, -0.0009350500000000 ] - [ 0.0013608900000000, -0.0013705800000000, 0.0006681800000000 ] - [ 0.0011806000000000, -0.0008611900000000, 0.0006694000000000 ] - [ -0.0012705800000000, 0.0011154800000000, -0.0009350500000000 ] - [ -0.0013608900000000, 0.0013705800000000, 0.0006681800000000 ] - [ -0.0011806000000000, 0.0008611900000000, 0.0006694000000000 ] - [ 0.0008653900000000, 0.0014996500000000, -0.0005052200000000 ] - [ 0.0012719800000000, 0.0011166700000000, 0.0002097300000000 ] - [ 0.0016752800000000, 0.0007307700000000, -0.0005067800000000 ] - [ -0.0008653900000000, -0.0014996500000000, -0.0005052200000000 ] - [ -0.0012719800000000, -0.0011166700000000, 0.0002097300000000 ] - [ -0.0016752800000000, -0.0007307700000000, -0.0005067800000000 ] - [ -0.0005214000000000, -0.0006867300000000, -0.0020570500000000 ] - [ 0.0002721900000000, -0.0014746600000000, 0.0015308500000000 ] - [ -0.0013095900000000, 0.0000973300000000, 0.0015309200000000 ] - [ 0.0005214000000000, 0.0006867300000000, -0.0020570500000000 ] - [ -0.0002721900000000, 0.0014746600000000, 0.0015308500000000 ] - [ 0.0013095900000000, -0.0000973300000000, 0.0015309200000000 ] - [ -0.0007669700000000, 0.0002755900000000, -0.0002554500000000 ] - [ -0.0005187300000000, 0.0006884600000000, 0.0002924200000000 ] - [ -0.0002695000000000, 0.0011015400000000, -0.0002552000000000 ] - [ 0.0007669700000000, -0.0002755900000000, -0.0002554500000000 ] - [ 0.0005187300000000, -0.0006884600000000, 0.0002924200000000 ] - [ 0.0002695000000000, -0.0011015400000000, -0.0002552000000000 ] - [ 0.0014374600000000, -0.0006910000000000, -0.0001248800000000 ] - [ 0.0013348300000000, -0.0005575500000000, 0.0004530800000000 ] - [ 0.0012313800000000, -0.0004238100000000, -0.0001247700000000 ] - [ -0.0014374600000000, 0.0006910000000000, -0.0001248800000000 ] - [ -0.0013348300000000, 0.0005575500000000, 0.0004530800000000 ] - [ -0.0012313800000000, 0.0004238100000000, -0.0001247700000000 ] - [ 0.0013373500000000, 0.0005575700000000, -0.0023192200000000 ] - [ 0.0004706800000000, -0.0002395100000000, 0.0013702700000000 ] - [ 0.0021990700000000, 0.0013548200000000, 0.0013691600000000 ] - [ -0.0013373500000000, -0.0005575700000000, -0.0023192200000000 ] - [ -0.0004706800000000, 0.0002395100000000, 0.0013702700000000 ] - [ -0.0021990700000000, -0.0013548200000000, 0.0013691600000000 ] - [ -0.0027827900000000, 0.0075107700000000, -0.0131107400000000 ] - [ -0.0003729700000000, -0.0000010900000000, 0.0023114400000000 ] - [ 0.0021404600000000, -0.0080541700000000, -0.0136373000000000 ] - [ 0.0027827900000000, -0.0075107700000000, -0.0131107400000000 ] - [ 0.0003729700000000, 0.0000010900000000, 0.0023114400000000 ] - [ -0.0021404600000000, 0.0080541700000000, -0.0136373000000000 ] - [ -0.0003728000000000, 0.0000020800000000, -0.0000280200000000 ] - [ -0.0003199700000000, -0.0000093900000000, 0.0001997500000000 ] - [ -0.0004243300000000, 0.0000132400000000, 0.0001997000000000 ] - [ 0.0003728000000000, -0.0000020800000000, -0.0000280200000000 ] - [ 0.0003199700000000, 0.0000093900000000, 0.0001997500000000 ] - [ 0.0004243300000000, -0.0000132400000000, 0.0001997000000000 ]- atom: 43 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0001013000000000, -0.0007314100000000, 0.0003249800000000 ] - [ -0.0000881600000000, -0.0006406500000000, 0.0003860600000000 ] - [ -0.0000896900000000, -0.0006411300000000, 0.0002611400000000 ] - [ 0.0018659600000000, 0.0008472600000000, 0.0003231600000000 ] - [ 0.0016769600000000, 0.0009401400000000, 0.0002591100000000 ] - [ 0.0016780200000000, 0.0009402900000000, 0.0003881300000000 ] - [ -0.0060249400000000, 0.0001284000000000, -0.0041892900000000 ] - [ -0.0060220600000000, 0.0001288800000000, 0.0035390200000000 ] - [ -0.0021879300000000, 0.0006954800000000, -0.0003239700000000 ] - [ -0.0042666200000000, -0.0014569700000000, 0.0035503100000000 ] - [ -0.0042629600000000, -0.0014582300000000, -0.0041973000000000 ] - [ -0.0004241100000000, -0.0008802900000000, -0.0003247300000000 ] - [ 0.0101311300000000, 0.0066250500000000, 0.0001592300000000 ] - [ 0.0037695600000000, 0.0009455200000000, -0.0020427900000000 ] - [ 0.0037773300000000, 0.0009466200000000, 0.0023806300000000 ] - [ 0.0089415100000000, 0.0054819300000000, 0.0001730100000000 ] - [ 0.0024777300000000, -0.0002803400000000, 0.0023762000000000 ] - [ 0.0024837200000000, -0.0002807800000000, -0.0020502100000000 ] - [ 0.0010629900000000, -0.0012948100000000, -0.0009712100000000 ] - [ 0.0010633800000000, -0.0012947400000000, 0.0006395100000000 ] - [ 0.0007070000000000, -0.0007011100000000, -0.0001670500000000 ] - [ -0.0002329100000000, -0.0000702300000000, 0.0006449500000000 ] - [ -0.0002313600000000, -0.0000705400000000, -0.0009776500000000 ] - [ -0.0005910900000000, 0.0005262500000000, -0.0001661200000000 ] - [ -0.0022220000000000, 0.0007746400000000, -0.0003694500000000 ] - [ -0.0022248900000000, 0.0007745700000000, 0.0000001000000000 ] - [ -0.0020059300000000, 0.0009405400000000, -0.0001829400000000 ] - [ 0.0022151500000000, 0.0001217700000000, 0.0000012100000000 ] - [ 0.0022156300000000, 0.0001204400000000, -0.0003689200000000 ] - [ 0.0024327500000000, 0.0002877900000000, -0.0001848500000000 ] - [ 0.0036522200000000, -0.0018169700000000, 0.0001840600000000 ] - [ -0.0017103800000000, -0.0008850800000000, 0.0009255400000000 ] - [ -0.0017112700000000, -0.0008857400000000, -0.0005582600000000 ] - [ 0.0081039600000000, -0.0011440400000000, 0.0001842200000000 ] - [ 0.0027255600000000, -0.0002258700000000, -0.0005584500000000 ] - [ 0.0027258500000000, -0.0002264500000000, 0.0009275100000000 ] - [ 0.0023390200000000, 0.0002155300000000, -0.0002159500000000 ] - [ 0.0023367400000000, 0.0002149400000000, -0.0002168800000000 ] - [ 0.0007549500000000, -0.0001311500000000, -0.0002168600000000 ] - [ -0.0005662300000000, -0.0001219700000000, 0.0002160000000000 ] - [ -0.0003255300000000, 0.0000582500000000, 0.0002160900000000 ] - [ -0.0003258600000000, 0.0000588100000000, 0.0002165000000000 ] - [ -0.0852143500000000, 0.0559788900000000, 0.0005285300000000 ] - [ -0.0060708900000000, -0.0046773600000000, 0.0005063300000000 ] - [ -0.0060710900000000, -0.0046772100000000, 0.0005077300000000 ] - [ 0.0005333800000000, -0.0000863900000000, -0.0005069800000000 ] - [ 0.0005331900000000, -0.0000862800000000, -0.0005081900000000 ] - [ 0.0005086000000000, -0.0000493500000000, -0.0005075800000000 ] - [ 0.0045794200000000, 0.0026759800000000, -0.0001224400000000 ] - [ 0.0045404800000000, 0.0026290400000000, 0.0000565500000000 ] - [ 0.0010527500000000, 0.0003882100000000, -0.0000664300000000 ] - [ 0.0042928100000000, 0.0026705000000000, -0.0001088000000000 ] - [ 0.0042529700000000, 0.0026213000000000, -0.0000919400000000 ] - [ 0.0007123800000000, 0.0002996000000000, -0.0000639800000000 ] - [ -0.0003627900000000, 0.0001166700000000, 0.0000646600000000 ] - [ -0.0002297200000000, 0.0000157800000000, -0.0000998000000000 ] - [ -0.0002298400000000, 0.0000158700000000, 0.0002311400000000 ] - [ -0.0007029500000000, 0.0002057900000000, 0.0000647300000000 ] - [ -0.0005688500000000, 0.0001051700000000, 0.0002314100000000 ] - [ -0.0005691400000000, 0.0001051100000000, -0.0001011100000000 ] - [ 0.0004698300000000, 0.0001465700000000, -0.0000307800000000 ] - [ 0.0004598700000000, -0.0002049700000000, -0.0000213700000000 ] - [ 0.0004598100000000, -0.0002049600000000, -0.0000400200000000 ] - [ -0.0001310700000000, 0.0002379600000000, -0.0000305900000000 ] - [ -0.0001413100000000, -0.0001112700000000, -0.0000394500000000 ] - [ -0.0001415500000000, -0.0001117200000000, -0.0000218200000000 ] - [ -0.0011339600000000, 0.0003048300000000, 0.0007784500000000 ] - [ -0.0011322900000000, 0.0003040500000000, -0.0007179700000000 ] - [ -0.0001463200000000, 0.0005337200000000, 0.0000310900000000 ] - [ -0.0017261300000000, 0.0002066900000000, -0.0007160000000000 ] - [ -0.0017245200000000, 0.0002054500000000, 0.0007763700000000 ] - [ -0.0007466500000000, 0.0004403500000000, 0.0000297900000000 ] - [ 0.0009117100000000, -0.0012046700000000, 0.0002096200000000 ] - [ 0.0009118300000000, -0.0012049800000000, 0.0001891000000000 ] - [ 0.0008750000000000, -0.0012063500000000, 0.0001993700000000 ] - [ -0.0016373500000000, 0.0010143900000000, 0.0001883100000000 ] - [ -0.0016371800000000, 0.0010145800000000, 0.0002096300000000 ] - [ -0.0016740000000000, 0.0010130000000000, 0.0001988800000000 ] - [ 0.0310285000000000, -0.0322393700000000, -0.0001627100000000 ] - [ 0.0025247300000000, 0.0016772100000000, -0.0007598300000000 ] - [ 0.0025254500000000, 0.0016788200000000, 0.0003617700000000 ] - [ 0.0278841600000000, -0.0333731000000000, -0.0002355300000000 ] - [ -0.0000200700000000, -0.0005432900000000, 0.0003580100000000 ] - [ -0.0000181300000000, -0.0005427300000000, -0.0007571900000000 ] - [ -0.0013613100000000, -0.0016020500000000, -0.0001545900000000 ] - [ -0.0013604200000000, -0.0016015100000000, 0.0002976900000000 ] - [ -0.0011137100000000, -0.0013653900000000, 0.0000712300000000 ] - [ -0.0003261700000000, -0.0002244700000000, 0.0002986700000000 ] - [ -0.0003254700000000, -0.0002240300000000, -0.0001571800000000 ] - [ -0.0000774500000000, 0.0000152500000000, 0.0000721000000000 ] - [ -0.0012240400000000, 0.0035585700000000, -0.0000711500000000 ] - [ -0.0005493600000000, 0.0009052200000000, -0.0003653800000000 ] - [ -0.0005489000000000, 0.0009053500000000, 0.0002214900000000 ] - [ -0.0001918100000000, 0.0022016000000000, -0.0000719900000000 ] - [ 0.0004885200000000, -0.0004764700000000, 0.0002234300000000 ] - [ 0.0004888400000000, -0.0004760900000000, -0.0003653300000000 ] - [ 0.0022819600000000, -0.0010047100000000, 0.0000535600000000 ] - [ 0.0018563800000000, -0.0019008100000000, 0.0004652900000000 ] - [ 0.0018555500000000, -0.0019035400000000, -0.0003623100000000 ] - [ -0.0003910200000000, 0.0001062400000000, 0.0000513000000000 ] - [ -0.0008183900000000, -0.0007886500000000, -0.0003623000000000 ] - [ -0.0008194300000000, -0.0007916100000000, 0.0004686200000000 ] - [ 0.0005933500000000, 0.0010212300000000, 0.0004593500000000 ] - [ 0.0005935800000000, 0.0010213500000000, -0.0005647200000000 ] - [ 0.0009353300000000, 0.0007124800000000, -0.0000527900000000 ] - [ -0.0020794300000000, -0.0000948600000000, -0.0005674900000000 ] - [ -0.0020793600000000, -0.0000949800000000, 0.0004621500000000 ] - [ -0.0017358700000000, -0.0004044500000000, -0.0000526300000000 ] - [ -0.0020042000000000, -0.0001886700000000, -0.0001189300000000 ] - [ -0.0013516500000000, -0.0000190300000000, -0.0001629600000000 ] - [ -0.0013525200000000, -0.0000194900000000, -0.0000744200000000 ] - [ -0.0012610700000000, -0.0001800300000000, -0.0001177300000000 ] - [ -0.0006028000000000, -0.0000091700000000, -0.0000748000000000 ] - [ -0.0006038200000000, -0.0000092300000000, -0.0001616300000000 ] - [ 0.0000316900000000, 0.0001806500000000, 0.0001663200000000 ] - [ 0.0000314100000000, 0.0001813400000000, 0.0000697600000000 ] - [ -0.0000187900000000, -0.0001848400000000, 0.0001176900000000 ] - [ 0.0007799400000000, 0.0001676500000000, 0.0000687200000000 ] - [ 0.0007797900000000, 0.0001684100000000, 0.0001676500000000 ] - [ 0.0007293700000000, -0.0001973600000000, 0.0001185700000000 ]- atom: 43 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0007467400000000, -0.0003160200000000, 0.0003241500000000 ] - [ -0.0005729700000000, -0.0005040800000000, 0.0000798000000000 ] - [ -0.0005711000000000, -0.0005037500000000, 0.0005705200000000 ] - [ 0.0010419600000000, 0.0012705900000000, 0.0003231500000000 ] - [ 0.0012128400000000, 0.0010852000000000, 0.0005686800000000 ] - [ 0.0012145700000000, 0.0010846000000000, 0.0000800100000000 ] - [ -0.0010615700000000, 0.0067005400000000, 0.0040861000000000 ] - [ -0.0010572000000000, 0.0066906600000000, -0.0047338600000000 ] - [ -0.0014147900000000, 0.0012521900000000, -0.0003245100000000 ] - [ 0.0007136800000000, 0.0051402900000000, -0.0047476500000000 ] - [ 0.0007200600000000, 0.0051307200000000, 0.0040996200000000 ] - [ 0.0003727200000000, -0.0003289000000000, -0.0003254200000000 ] - [ 0.0073407600000000, -0.0000361400000000, 0.0001609100000000 ] - [ 0.0036071800000000, 0.0002154000000000, -0.0016604000000000 ] - [ 0.0036132700000000, 0.0002167800000000, 0.0019970100000000 ] - [ 0.0060713500000000, -0.0012713500000000, 0.0001709600000000 ] - [ 0.0023256200000000, -0.0009988100000000, 0.0019900000000000 ] - [ 0.0023287000000000, -0.0009945700000000, -0.0016646100000000 ] - [ 0.0001664000000000, 0.0008893600000000, 0.0005378000000000 ] - [ 0.0001636900000000, 0.0008911600000000, -0.0008672300000000 ] - [ 0.0005030700000000, 0.0002954300000000, -0.0001665500000000 ] - [ -0.0011137100000000, 0.0021083500000000, -0.0008633300000000 ] - [ -0.0011120600000000, 0.0021097100000000, 0.0005301900000000 ] - [ -0.0007790400000000, 0.0015150500000000, -0.0001660800000000 ] - [ -0.0016421800000000, 0.0020250700000000, 0.0001531900000000 ] - [ -0.0016454000000000, 0.0020248400000000, -0.0005227900000000 ] - [ -0.0019166900000000, 0.0017265400000000, -0.0001820100000000 ] - [ 0.0027685900000000, 0.0013744800000000, -0.0005291600000000 ] - [ 0.0027735400000000, 0.0013718900000000, 0.0001598000000000 ] - [ 0.0024925700000000, 0.0010754600000000, -0.0001856800000000 ] - [ -0.0086397000000000, -0.0005909300000000, 0.0001864000000000 ] - [ -0.0027655300000000, -0.0011049900000000, -0.0003616300000000 ] - [ -0.0027636100000000, -0.0011056700000000, 0.0007291200000000 ] - [ -0.0042222100000000, 0.0000804800000000, 0.0001822400000000 ] - [ 0.0016448000000000, -0.0004481300000000, 0.0007294900000000 ] - [ 0.0016429000000000, -0.0004465600000000, -0.0003603900000000 ] - [ -0.0002109400000000, -0.0008874600000000, -0.0002159500000000 ] - [ -0.0002132500000000, -0.0008871400000000, -0.0002188600000000 ] - [ 0.0003615100000000, -0.0007866600000000, -0.0002168800000000 ] - [ 0.0000856600000000, 0.0015614100000000, 0.0002153900000000 ] - [ -0.0000771900000000, 0.0013212600000000, 0.0002179000000000 ] - [ -0.0000771700000000, 0.0013217000000000, 0.0002146800000000 ] - [ 0.0559845700000000, -0.1075686100000000, 0.0005255800000000 ] - [ -0.0046769000000000, -0.0070224700000000, 0.0005037500000000 ] - [ -0.0046777400000000, -0.0070225100000000, 0.0005100900000000 ] - [ 0.0000861900000000, 0.0010068400000000, -0.0005070100000000 ] - [ 0.0000859400000000, 0.0010064400000000, -0.0005075400000000 ] - [ 0.0000494300000000, 0.0009811900000000, -0.0005076900000000 ] - [ 0.0022535400000000, 0.0056243500000000, 0.0015013100000000 ] - [ 0.0022104600000000, 0.0055762800000000, -0.0015642200000000 ] - [ 0.0006863400000000, 0.0009622000000000, -0.0000667600000000 ] - [ 0.0020290600000000, 0.0055967700000000, -0.0017860400000000 ] - [ 0.0019826700000000, 0.0055478900000000, 0.0015814300000000 ] - [ 0.0003464900000000, 0.0008760300000000, -0.0000631800000000 ] - [ 0.0003746000000000, -0.0006169600000000, 0.0000645600000000 ] - [ 0.0002912100000000, -0.0005371700000000, 0.0002061400000000 ] - [ 0.0002899500000000, -0.0005363900000000, -0.0000758900000000 ] - [ 0.0000345600000000, -0.0005319800000000, 0.0000656500000000 ] - [ -0.0000485200000000, -0.0004511300000000, -0.0000736800000000 ] - [ -0.0000488500000000, -0.0004510300000000, 0.0002037800000000 ] - [ 0.0002230000000000, -0.0013669900000000, -0.0000306600000000 ] - [ 0.0002666400000000, -0.0011336600000000, -0.0000386200000000 ] - [ 0.0002666800000000, -0.0011330400000000, -0.0000229500000000 ] - [ -0.0003781900000000, -0.0012748100000000, -0.0000304700000000 ] - [ -0.0003332000000000, -0.0010372100000000, -0.0000236000000000 ] - [ -0.0003321800000000, -0.0010381000000000, -0.0000377900000000 ] - [ 0.0003967000000000, 0.0021358900000000, -0.0006743800000000 ] - [ 0.0003989100000000, 0.0021349500000000, 0.0007349500000000 ] - [ 0.0000477500000000, 0.0014205000000000, 0.0000316000000000 ] - [ -0.0001953000000000, 0.0020410000000000, 0.0007354300000000 ] - [ -0.0001936700000000, 0.0020393700000000, -0.0006739700000000 ] - [ -0.0005512100000000, 0.0013252000000000, 0.0000294400000000 ] - [ 0.0010621900000000, -0.0016376700000000, 0.0001787500000000 ] - [ 0.0010617800000000, -0.0016387900000000, 0.0002201900000000 ] - [ 0.0010458800000000, -0.0016203000000000, 0.0001994900000000 ] - [ -0.0014858000000000, 0.0005816500000000, 0.0002182200000000 ] - [ -0.0014855600000000, 0.0005815000000000, 0.0001796600000000 ] - [ -0.0015004100000000, 0.0006002100000000, 0.0001990400000000 ] - [ -0.0309279000000000, 0.0376786800000000, -0.0002412900000000 ] - [ 0.0023759800000000, 0.0022937800000000, 0.0007133900000000 ] - [ 0.0023776900000000, 0.0022940300000000, -0.0011117200000000 ] - [ -0.0348254100000000, 0.0365190000000000, -0.0001576600000000 ] - [ -0.0001702700000000, 0.0000712100000000, -0.0011150000000000 ] - [ -0.0001679600000000, 0.0000710300000000, 0.0007170800000000 ] - [ -0.0013980600000000, -0.0013435300000000, -0.0000846600000000 ] - [ -0.0013960500000000, -0.0013420800000000, 0.0002279100000000 ] - [ -0.0011118800000000, -0.0016462900000000, 0.0000702400000000 ] - [ -0.0003626200000000, 0.0000331600000000, 0.0002268000000000 ] - [ -0.0003619100000000, 0.0000345100000000, -0.0000855200000000 ] - [ -0.0000785600000000, -0.0002720100000000, 0.0000725100000000 ] - [ 0.0001729700000000, -0.0012543600000000, -0.0000716900000000 ] - [ -0.0000580800000000, 0.0004243200000000, 0.0005106000000000 ] - [ -0.0000574100000000, 0.0004246200000000, -0.0006546100000000 ] - [ 0.0011981500000000, -0.0025976800000000, -0.0000710000000000 ] - [ 0.0009776200000000, -0.0009546000000000, -0.0006531200000000 ] - [ 0.0009777400000000, -0.0009544400000000, 0.0005114300000000 ] - [ 0.0000972100000000, -0.0023749900000000, 0.0000529700000000 ] - [ 0.0008193600000000, -0.0015470600000000, 0.0008113400000000 ] - [ 0.0008193800000000, -0.0015470600000000, -0.0007065100000000 ] - [ -0.0025804200000000, -0.0012697500000000, 0.0000514600000000 ] - [ -0.0018501000000000, -0.0004233100000000, -0.0007026500000000 ] - [ -0.0018501700000000, -0.0004251100000000, 0.0008077000000000 ] - [ 0.0017046400000000, 0.0001832500000000, -0.0007856100000000 ] - [ 0.0017052400000000, 0.0001839200000000, 0.0006802000000000 ] - [ 0.0013227900000000, 0.0006152600000000, -0.0000524500000000 ] - [ -0.0009651800000000, -0.0009352400000000, 0.0006790900000000 ] - [ -0.0009645700000000, -0.0009348300000000, -0.0007839100000000 ] - [ -0.0013440600000000, -0.0005029600000000, -0.0000528300000000 ] - [ 0.0000988600000000, 0.0010458100000000, -0.0001189600000000 ] - [ -0.0006698200000000, 0.0006313100000000, -0.0001561800000000 ] - [ -0.0006712500000000, 0.0006307300000000, -0.0000805500000000 ] - [ 0.0008420500000000, 0.0010574100000000, -0.0001181800000000 ] - [ 0.0000755300000000, 0.0006434100000000, -0.0000798900000000 ] - [ 0.0000744900000000, 0.0006441700000000, -0.0001567000000000 ] - [ -0.0004271100000000, -0.0015523100000000, -0.0000095400000000 ] - [ -0.0004266400000000, -0.0015517300000000, 0.0002452000000000 ] - [ -0.0002431400000000, -0.0007940800000000, 0.0001181200000000 ] - [ 0.0003186200000000, -0.0015683600000000, 0.0002464000000000 ] - [ 0.0003186900000000, -0.0015675000000000, -0.0000098600000000 ] - [ 0.0005022000000000, -0.0008078100000000, 0.0001189100000000 ]- atom: 43 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0008847700000000, -0.0007919300000000, -0.0004598700000000 ] - [ -0.0009467700000000, -0.0010614300000000, 0.0007226000000000 ] - [ -0.0008216000000000, -0.0005237100000000, 0.0007240300000000 ] - [ 0.0008847700000000, 0.0007919300000000, -0.0004598700000000 ] - [ 0.0009467700000000, 0.0010614300000000, 0.0007226000000000 ] - [ 0.0008216000000000, 0.0005237100000000, 0.0007240300000000 ] - [ -0.0039873100000000, 0.0048862900000000, -0.0015111500000000 ] - [ 0.0022278000000000, -0.0033048600000000, -0.0015255900000000 ] - [ -0.0008851900000000, 0.0007890700000000, 0.0017956500000000 ] - [ 0.0039873100000000, -0.0048862900000000, -0.0015111500000000 ] - [ -0.0022278000000000, 0.0033048600000000, -0.0015255900000000 ] - [ 0.0008851900000000, -0.0007890700000000, 0.0017956500000000 ] - [ 0.0006476500000000, 0.0006178200000000, -0.0093089600000000 ] - [ -0.0032754600000000, -0.0000050300000000, 0.0045396700000000 ] - [ 0.0045615600000000, 0.0012268700000000, 0.0045311700000000 ] - [ -0.0006476500000000, -0.0006178200000000, -0.0093089600000000 ] - [ 0.0032754600000000, 0.0000050300000000, 0.0045396700000000 ] - [ -0.0045615600000000, -0.0012268700000000, 0.0045311700000000 ] - [ 0.0005323400000000, -0.0005061400000000, -0.0004917800000000 ] - [ 0.0007559400000000, -0.0007182300000000, -0.0004954500000000 ] - [ 0.0006446300000000, -0.0006117200000000, 0.0004574600000000 ] - [ -0.0005323400000000, 0.0005061400000000, -0.0004917800000000 ] - [ -0.0007559400000000, 0.0007182300000000, -0.0004954500000000 ] - [ -0.0006446300000000, 0.0006117200000000, 0.0004574600000000 ] - [ -0.0020449800000000, 0.0008182100000000, -0.0006961000000000 ] - [ -0.0023860200000000, -0.0001665100000000, -0.0006960100000000 ] - [ -0.0022133500000000, 0.0003238000000000, 0.0007722000000000 ] - [ 0.0020449800000000, -0.0008182100000000, -0.0006961000000000 ] - [ 0.0023860200000000, 0.0001665100000000, -0.0006960100000000 ] - [ 0.0022133500000000, -0.0003238000000000, 0.0007722000000000 ] - [ -0.0022245000000000, -0.0003251000000000, -0.0002351000000000 ] - [ -0.0013654900000000, -0.0006989300000000, 0.0005335400000000 ] - [ -0.0030585800000000, 0.0000472900000000, 0.0005368600000000 ] - [ 0.0022245000000000, 0.0003251000000000, -0.0002351000000000 ] - [ 0.0013654900000000, 0.0006989300000000, 0.0005335400000000 ] - [ 0.0030585800000000, -0.0000472900000000, 0.0005368600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005676400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005717200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004800100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003426300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005038400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005029500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0288524000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0114878600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0113868300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006183700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006199200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002719100000000 ] - [ 0.0007610600000000, 0.0031494100000000, 0.0059161200000000 ] - [ -0.0006094700000000, -0.0032504700000000, 0.0061722200000000 ] - [ 0.0001703600000000, 0.0000498200000000, -0.0031712100000000 ] - [ -0.0007610600000000, -0.0031494100000000, 0.0059161200000000 ] - [ 0.0006094700000000, 0.0032504700000000, 0.0061722200000000 ] - [ -0.0001703600000000, -0.0000498200000000, -0.0031712100000000 ] - [ 0.0001704700000000, -0.0000492600000000, 0.0003103300000000 ] - [ 0.0001786000000000, -0.0000481000000000, -0.0000615800000000 ] - [ 0.0001606700000000, -0.0000500900000000, -0.0000614400000000 ] - [ -0.0001704700000000, 0.0000492600000000, 0.0003103300000000 ] - [ -0.0001786000000000, 0.0000481000000000, -0.0000615800000000 ] - [ -0.0001606700000000, 0.0000500900000000, -0.0000614400000000 ] - [ 0.0003002300000000, -0.0000462600000000, 0.0002391400000000 ] - [ 0.0003358900000000, -0.0000480700000000, -0.0001805700000000 ] - [ 0.0002649000000000, -0.0000457200000000, -0.0001803800000000 ] - [ -0.0003002300000000, 0.0000462600000000, 0.0002391400000000 ] - [ -0.0003358900000000, 0.0000480700000000, -0.0001805700000000 ] - [ -0.0002649000000000, 0.0000457200000000, -0.0001803800000000 ] - [ 0.0010604600000000, -0.0003448500000000, 0.0005774300000000 ] - [ -0.0004632900000000, 0.0004430200000000, 0.0005805400000000 ] - [ 0.0002998800000000, 0.0000467400000000, -0.0010836000000000 ] - [ -0.0010604600000000, 0.0003448500000000, 0.0005774300000000 ] - [ 0.0004632900000000, -0.0004430200000000, 0.0005805400000000 ] - [ -0.0002998800000000, -0.0000467400000000, -0.0010836000000000 ] - [ 0.0011215800000000, -0.0012618100000000, 0.0002691400000000 ] - [ 0.0014255600000000, -0.0009627800000000, 0.0002682700000000 ] - [ 0.0012734200000000, -0.0011126400000000, 0.0000656300000000 ] - [ -0.0011215800000000, 0.0012618100000000, 0.0002691400000000 ] - [ -0.0014255600000000, 0.0009627800000000, 0.0002682700000000 ] - [ -0.0012734200000000, 0.0011126400000000, 0.0000656300000000 ] - [ 0.0012112900000000, 0.0011874600000000, 0.0001798300000000 ] - [ 0.0000423200000000, 0.0025075200000000, -0.0018787700000000 ] - [ 0.0024980900000000, -0.0002755500000000, -0.0018719000000000 ] - [ -0.0012112900000000, -0.0011874600000000, 0.0001798300000000 ] - [ -0.0000423200000000, -0.0025075200000000, -0.0018787700000000 ] - [ -0.0024980900000000, 0.0002755500000000, -0.0018719000000000 ] - [ -0.0014833400000000, -0.0012646100000000, 0.0007958400000000 ] - [ 0.0004436100000000, -0.0001080500000000, 0.0007946000000000 ] - [ -0.0005214600000000, -0.0006867700000000, -0.0016322100000000 ] - [ 0.0014833400000000, 0.0012646100000000, 0.0007958400000000 ] - [ -0.0004436100000000, 0.0001080500000000, 0.0007946000000000 ] - [ 0.0005214600000000, 0.0006867700000000, -0.0016322100000000 ] - [ -0.0005194400000000, 0.0006810300000000, 0.0002277600000000 ] - [ -0.0008416600000000, 0.0013661900000000, -0.0003596100000000 ] - [ -0.0002027800000000, 0.0000133400000000, -0.0003609900000000 ] - [ 0.0005194400000000, -0.0006810300000000, 0.0002277600000000 ] - [ 0.0008416600000000, -0.0013661900000000, -0.0003596100000000 ] - [ 0.0002027800000000, -0.0000133400000000, -0.0003609900000000 ] - [ 0.0013351200000000, -0.0005559600000000, 0.0015539700000000 ] - [ 0.0014369100000000, 0.0009890900000000, -0.0011299100000000 ] - [ 0.0012351100000000, -0.0021081700000000, -0.0011299400000000 ] - [ -0.0013351200000000, 0.0005559600000000, 0.0015539700000000 ] - [ -0.0014369100000000, -0.0009890900000000, -0.0011299100000000 ] - [ -0.0012351100000000, 0.0021081700000000, -0.0011299400000000 ] - [ 0.0013583800000000, 0.0004069800000000, 0.0001647500000000 ] - [ 0.0013152700000000, 0.0007119400000000, 0.0001671600000000 ] - [ 0.0013351000000000, 0.0005601900000000, -0.0005294300000000 ] - [ -0.0013583800000000, -0.0004069800000000, 0.0001647500000000 ] - [ -0.0013152700000000, -0.0007119400000000, 0.0001671600000000 ] - [ -0.0013351000000000, -0.0005601900000000, -0.0005294300000000 ] - [ -0.0003706000000000, -0.0000011600000000, 0.0004899700000000 ] - [ -0.0002438400000000, 0.0001494600000000, -0.0004317800000000 ] - [ -0.0005011600000000, -0.0001517900000000, -0.0004318000000000 ] - [ 0.0003706000000000, 0.0000011600000000, 0.0004899700000000 ] - [ 0.0002438400000000, -0.0001494600000000, -0.0004317800000000 ] - [ 0.0005011600000000, 0.0001517900000000, -0.0004318000000000 ] - [ -0.0004394100000000, -0.0002853100000000, 0.0002239800000000 ] - [ -0.0003059700000000, 0.0002897100000000, 0.0002251400000000 ] - [ -0.0003721200000000, 0.0000021600000000, -0.0001783000000000 ] - [ 0.0004394100000000, 0.0002853100000000, 0.0002239800000000 ] - [ 0.0003059700000000, -0.0002897100000000, 0.0002251400000000 ] - [ 0.0003721200000000, -0.0000021600000000, -0.0001783000000000 ]- atom: 43 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0008862300000000, -0.0007889100000000, 0.0011072600000000 ] - [ -0.0008225100000000, -0.0005222900000000, -0.0000741700000000 ] - [ -0.0009469900000000, -0.0010579700000000, -0.0000749900000000 ] - [ 0.0008862300000000, 0.0007889100000000, 0.0011072600000000 ] - [ 0.0008225100000000, 0.0005222900000000, -0.0000741700000000 ] - [ 0.0009469900000000, 0.0010579700000000, -0.0000749900000000 ] - [ 0.0022362300000000, -0.0033064100000000, 0.0008877300000000 ] - [ -0.0039815000000000, 0.0048835300000000, 0.0008520900000000 ] - [ -0.0008859300000000, 0.0007852400000000, -0.0024462800000000 ] - [ -0.0022362300000000, 0.0033064100000000, 0.0008877300000000 ] - [ 0.0039815000000000, -0.0048835300000000, 0.0008520900000000 ] - [ 0.0008859300000000, -0.0007852400000000, -0.0024462800000000 ] - [ 0.0006530500000000, 0.0006228400000000, 0.0096396700000000 ] - [ 0.0045604200000000, 0.0012267000000000, -0.0041956800000000 ] - [ -0.0032750500000000, -0.0000086100000000, -0.0042150700000000 ] - [ -0.0006530500000000, -0.0006228400000000, 0.0096396700000000 ] - [ -0.0045604200000000, -0.0012267000000000, -0.0041956800000000 ] - [ 0.0032750500000000, 0.0000086100000000, -0.0042150700000000 ] - [ 0.0007595400000000, -0.0007156500000000, 0.0001663400000000 ] - [ 0.0005348300000000, -0.0005032600000000, 0.0001564600000000 ] - [ 0.0006490400000000, -0.0006109100000000, -0.0007897500000000 ] - [ -0.0007595400000000, 0.0007156500000000, 0.0001663400000000 ] - [ -0.0005348300000000, 0.0005032600000000, 0.0001564600000000 ] - [ -0.0006490400000000, 0.0006109100000000, -0.0007897500000000 ] - [ -0.0023836900000000, -0.0001672200000000, 0.0003270000000000 ] - [ -0.0020479900000000, 0.0008188600000000, 0.0003257800000000 ] - [ -0.0022156400000000, 0.0003258100000000, -0.0011409700000000 ] - [ 0.0023836900000000, 0.0001672200000000, 0.0003270000000000 ] - [ 0.0020479900000000, -0.0008188600000000, 0.0003257800000000 ] - [ 0.0022156400000000, -0.0003258100000000, -0.0011409700000000 ] - [ -0.0022405400000000, -0.0003263300000000, 0.0006028200000000 ] - [ -0.0030609100000000, 0.0000470800000000, -0.0001698100000000 ] - [ -0.0013634700000000, -0.0007014200000000, -0.0001656600000000 ] - [ 0.0022405400000000, 0.0003263300000000, 0.0006028200000000 ] - [ 0.0030609100000000, -0.0000470800000000, -0.0001698100000000 ] - [ 0.0013634700000000, 0.0007014200000000, -0.0001656600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001384700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001337300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009142800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007742500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000715900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000708300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0299746600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0103733800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0104755900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003945200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003970100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007445700000000 ] - [ -0.0006695600000000, -0.0033215800000000, -0.0063981700000000 ] - [ 0.0007034700000000, 0.0030806600000000, -0.0059554500000000 ] - [ 0.0001722300000000, 0.0000482300000000, 0.0030388800000000 ] - [ 0.0006695600000000, 0.0033215800000000, -0.0063981700000000 ] - [ -0.0007034700000000, -0.0030806600000000, -0.0059554500000000 ] - [ -0.0001722300000000, -0.0000482300000000, 0.0030388800000000 ] - [ 0.0001712700000000, -0.0000468700000000, -0.0001801400000000 ] - [ 0.0001613800000000, -0.0000480300000000, 0.0001921000000000 ] - [ 0.0001788100000000, -0.0000452700000000, 0.0001905400000000 ] - [ -0.0001712700000000, 0.0000468700000000, -0.0001801400000000 ] - [ -0.0001613800000000, 0.0000480300000000, 0.0001921000000000 ] - [ -0.0001788100000000, 0.0000452700000000, 0.0001905400000000 ] - [ 0.0003019300000000, -0.0000450100000000, -0.0003005300000000 ] - [ 0.0002661500000000, -0.0000458100000000, 0.0001186800000000 ] - [ 0.0003369100000000, -0.0000479200000000, 0.0001181600000000 ] - [ -0.0003019300000000, 0.0000450100000000, -0.0003005300000000 ] - [ -0.0002661500000000, 0.0000458100000000, 0.0001186800000000 ] - [ -0.0003369100000000, 0.0000479200000000, 0.0001181600000000 ] - [ -0.0004621400000000, 0.0004447500000000, -0.0005224000000000 ] - [ 0.0010610500000000, -0.0003426000000000, -0.0005154300000000 ] - [ 0.0002999800000000, 0.0000477700000000, 0.0011436400000000 ] - [ 0.0004621400000000, -0.0004447500000000, -0.0005224000000000 ] - [ -0.0010610500000000, 0.0003426000000000, -0.0005154300000000 ] - [ -0.0002999800000000, -0.0000477700000000, 0.0011436400000000 ] - [ 0.0014255800000000, -0.0009624900000000, 0.0001289700000000 ] - [ 0.0011218900000000, -0.0012614500000000, 0.0001296200000000 ] - [ 0.0012730600000000, -0.0011121500000000, 0.0003316200000000 ] - [ -0.0014255800000000, 0.0009624900000000, 0.0001289700000000 ] - [ -0.0011218900000000, 0.0012614500000000, 0.0001296200000000 ] - [ -0.0012730600000000, 0.0011121500000000, 0.0003316200000000 ] - [ 0.0011365400000000, 0.0012774400000000, -0.0005798800000000 ] - [ 0.0024958800000000, -0.0002725600000000, 0.0014731800000000 ] - [ 0.0000407000000000, 0.0025099000000000, 0.0014783700000000 ] - [ -0.0011365400000000, -0.0012774400000000, -0.0005798800000000 ] - [ -0.0024958800000000, 0.0002725600000000, 0.0014731800000000 ] - [ -0.0000407000000000, -0.0025099000000000, 0.0014783700000000 ] - [ 0.0004472200000000, -0.0001067000000000, -0.0006527300000000 ] - [ -0.0014795100000000, -0.0012643500000000, -0.0006536700000000 ] - [ -0.0005195100000000, -0.0006874900000000, 0.0017746900000000 ] - [ -0.0004472200000000, 0.0001067000000000, -0.0006527300000000 ] - [ 0.0014795100000000, 0.0012643500000000, -0.0006536700000000 ] - [ 0.0005195100000000, 0.0006874900000000, 0.0017746900000000 ] - [ -0.0005157200000000, 0.0006726300000000, -0.0003712800000000 ] - [ -0.0002016400000000, 0.0000146800000000, 0.0002182800000000 ] - [ -0.0008400800000000, 0.0013672400000000, 0.0002152500000000 ] - [ 0.0005157200000000, -0.0006726300000000, -0.0003712800000000 ] - [ 0.0002016400000000, -0.0000146800000000, 0.0002182800000000 ] - [ 0.0008400800000000, -0.0013672400000000, 0.0002152500000000 ] - [ 0.0013350500000000, -0.0005582700000000, -0.0014487900000000 ] - [ 0.0012356300000000, -0.0021099000000000, 0.0012345800000000 ] - [ 0.0014374900000000, 0.0009868000000000, 0.0012327200000000 ] - [ -0.0013350500000000, 0.0005582700000000, -0.0014487900000000 ] - [ -0.0012356300000000, 0.0021099000000000, 0.0012345800000000 ] - [ -0.0014374900000000, -0.0009868000000000, 0.0012327200000000 ] - [ 0.0013179500000000, 0.0007124600000000, -0.0002747700000000 ] - [ 0.0013612000000000, 0.0004075700000000, -0.0002688700000000 ] - [ 0.0013375400000000, 0.0005615500000000, 0.0004230600000000 ] - [ -0.0013179500000000, -0.0007124600000000, -0.0002747700000000 ] - [ -0.0013612000000000, -0.0004075700000000, -0.0002688700000000 ] - [ -0.0013375400000000, -0.0005615500000000, 0.0004230600000000 ] - [ -0.0003716500000000, -0.0000027300000000, -0.0007275200000000 ] - [ -0.0005046000000000, -0.0001549000000000, 0.0001955200000000 ] - [ -0.0002474000000000, 0.0001464000000000, 0.0001936700000000 ] - [ 0.0003716500000000, 0.0000027300000000, -0.0007275200000000 ] - [ 0.0005046000000000, 0.0001549000000000, 0.0001955200000000 ] - [ 0.0002474000000000, -0.0001464000000000, 0.0001936700000000 ] - [ -0.0003095500000000, 0.0002913900000000, 0.0000111100000000 ] - [ -0.0004434000000000, -0.0002832500000000, 0.0000113400000000 ] - [ -0.0003755000000000, 0.0000046400000000, 0.0004132100000000 ] - [ 0.0003095500000000, -0.0002913900000000, 0.0000111100000000 ] - [ 0.0004434000000000, 0.0002832500000000, 0.0000113400000000 ] - [ 0.0003755000000000, -0.0000046400000000, 0.0004132100000000 ]- atom: 49 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0023537300000000, -0.0014618800000000, 0.0009130000000000 ] - [ -0.0020230200000000, -0.0009850400000000, 0.0003231800000000 ] - [ -0.0023536900000000, -0.0014608700000000, -0.0002602800000000 ] - [ 0.0004546700000000, 0.0010043200000000, 0.0002266500000000 ] - [ 0.0005689600000000, 0.0008363100000000, 0.0003250200000000 ] - [ 0.0004504200000000, 0.0010013200000000, 0.0004208500000000 ] - [ 0.0101690500000000, -0.0059756200000000, -0.0003208300000000 ] - [ 0.0009686700000000, 0.0019892800000000, -0.0015031100000000 ] - [ 0.0009711600000000, 0.0019906000000000, 0.0008507200000000 ] - [ 0.0018800600000000, -0.0017460100000000, -0.0003234600000000 ] - [ 0.0011159900000000, -0.0009420000000000, -0.0006411500000000 ] - [ 0.0011129600000000, -0.0009375400000000, -0.0000064500000000 ] - [ 0.0097902100000000, 0.0005614300000000, -0.0030062400000000 ] - [ 0.0014375300000000, 0.0010638000000000, 0.0001631100000000 ] - [ 0.0097957400000000, 0.0005651200000000, 0.0033457100000000 ] - [ -0.0025209400000000, -0.0011963700000000, -0.0012894400000000 ] - [ -0.0010873200000000, -0.0007383100000000, 0.0001644500000000 ] - [ -0.0025192700000000, -0.0011919100000000, 0.0016208400000000 ] - [ -0.0000660000000000, -0.0000833000000000, -0.0001649300000000 ] - [ 0.0002284800000000, -0.0002085900000000, -0.0006106400000000 ] - [ 0.0002299600000000, -0.0002102600000000, 0.0002796800000000 ] - [ -0.0002130200000000, 0.0004183700000000, -0.0001668800000000 ] - [ -0.0003225700000000, 0.0004815300000000, -0.0003172800000000 ] - [ -0.0003208500000000, 0.0004773700000000, -0.0000129000000000 ] - [ -0.0012347000000000, -0.0006707400000000, -0.0001824100000000 ] - [ -0.0017315400000000, -0.0001749800000000, 0.0000031100000000 ] - [ -0.0017300300000000, -0.0001794000000000, -0.0003722300000000 ] - [ 0.0019376200000000, -0.0004755400000000, -0.0001843300000000 ] - [ 0.0020430900000000, -0.0004338800000000, -0.0003467600000000 ] - [ 0.0020381200000000, -0.0004293700000000, -0.0000228200000000 ] - [ -0.0053165300000000, -0.0003228400000000, 0.0001231500000000 ] - [ -0.0029117500000000, -0.0002071700000000, 0.0001836600000000 ] - [ -0.0053127100000000, -0.0003255700000000, 0.0002474800000000 ] - [ 0.0031463400000000, 0.0022264300000000, 0.0012190000000000 ] - [ 0.0023417100000000, 0.0009634600000000, 0.0001839700000000 ] - [ 0.0031449200000000, 0.0022263300000000, -0.0008493200000000 ] - [ -0.0029884800000000, -0.0006163500000000, -0.0002173800000000 ] - [ -0.0008628300000000, 0.0001669100000000, 0.0001107900000000 ] - [ -0.0008615700000000, 0.0001678100000000, -0.0005431900000000 ] - [ 0.0002559400000000, 0.0001109500000000, -0.0002586800000000 ] - [ 0.0001142600000000, -0.0000647800000000, 0.0002167300000000 ] - [ 0.0002556700000000, 0.0001103500000000, 0.0006912300000000 ] - [ 0.0044802600000000, 0.0022188800000000, 0.0013420400000000 ] - [ 0.0008850100000000, 0.0005159800000000, 0.0005056400000000 ] - [ 0.0044396400000000, 0.0021726900000000, -0.0002654900000000 ] - [ -0.0005321000000000, -0.0002040200000000, -0.0005067200000000 ] - [ -0.0003990200000000, -0.0001193700000000, -0.0005167600000000 ] - [ -0.0003996900000000, -0.0001193200000000, -0.0004980900000000 ] - [ -0.0573014200000000, -0.0014990200000000, -0.0001427700000000 ] - [ -0.0019651500000000, -0.0003716400000000, -0.0005970700000000 ] - [ -0.0019651800000000, -0.0003719300000000, 0.0004664600000000 ] - [ 0.0049063200000000, 0.0046285300000000, -0.0000677400000000 ] - [ -0.0001637600000000, 0.0001925000000000, 0.0008062800000000 ] - [ -0.0001636600000000, 0.0001922000000000, -0.0009348600000000 ] - [ 0.0006800500000000, -0.0000620900000000, 0.0001560100000000 ] - [ 0.0005715100000000, -0.0000332400000000, 0.0000649300000000 ] - [ 0.0006800200000000, -0.0000619300000000, -0.0000251300000000 ] - [ -0.0001693600000000, 0.0001647700000000, -0.0000229900000000 ] - [ -0.0001892500000000, 0.0001519800000000, 0.0000652700000000 ] - [ -0.0001691300000000, 0.0001645600000000, 0.0001541700000000 ] - [ 0.0000421900000000, 0.0002205500000000, 0.0000538400000000 ] - [ 0.0001010900000000, 0.0001299800000000, -0.0000303200000000 ] - [ 0.0000418900000000, 0.0002208500000000, -0.0001152600000000 ] - [ -0.0002465300000000, -0.0000555400000000, 0.0000737900000000 ] - [ -0.0003494400000000, 0.0001028500000000, -0.0000303800000000 ] - [ -0.0002461800000000, -0.0000553400000000, -0.0001343300000000 ] - [ 0.0011983700000000, 0.0002061000000000, 0.0000305000000000 ] - [ 0.0009012400000000, 0.0001231800000000, 0.0002785100000000 ] - [ 0.0009009700000000, 0.0001228600000000, -0.0002170100000000 ] - [ 0.0059898500000000, -0.0044722700000000, 0.0000297000000000 ] - [ 0.0000564700000000, -0.0012517500000000, -0.0009427500000000 ] - [ 0.0000568100000000, -0.0012523600000000, 0.0010034000000000 ] - [ 0.0017006400000000, -0.0005043200000000, 0.0001992000000000 ] - [ 0.0015378900000000, -0.0007051600000000, 0.0001385000000000 ] - [ 0.0015383400000000, -0.0007044600000000, 0.0002597200000000 ] - [ -0.0009780600000000, 0.0011285600000000, 0.0001991500000000 ] - [ -0.0010710100000000, 0.0011000700000000, 0.0002033700000000 ] - [ -0.0010710700000000, 0.0010995300000000, 0.0001946500000000 ] - [ 0.0085838000000000, -0.0016216800000000, 0.0056483500000000 ] - [ 0.0009048700000000, 0.0011769900000000, -0.0001985900000000 ] - [ 0.0085841800000000, -0.0016228100000000, -0.0060431600000000 ] - [ -0.0034021000000000, -0.0009393100000000, 0.0003654600000000 ] - [ -0.0016797900000000, -0.0013081400000000, -0.0001993600000000 ] - [ -0.0034048700000000, -0.0009375500000000, -0.0007624100000000 ] - [ 0.0027512500000000, 0.0024759700000000, 0.0000709900000000 ] - [ 0.0001491800000000, 0.0014049400000000, -0.0022344300000000 ] - [ 0.0001497900000000, 0.0014053700000000, 0.0023780500000000 ] - [ 0.0011572400000000, 0.0010995900000000, 0.0000711900000000 ] - [ 0.0008670000000000, 0.0008439800000000, 0.0001548600000000 ] - [ 0.0008669400000000, 0.0008440600000000, -0.0000125900000000 ] - [ 0.0002830300000000, -0.0001806500000000, 0.0007574100000000 ] - [ -0.0003340100000000, 0.0005849900000000, -0.0000713900000000 ] - [ 0.0002821100000000, -0.0001795400000000, -0.0009005800000000 ] - [ 0.0000202200000000, -0.0001954700000000, 0.0000080600000000 ] - [ 0.0003532300000000, -0.0007303700000000, -0.0000709400000000 ] - [ 0.0000203400000000, -0.0001953900000000, -0.0001506700000000 ] - [ -0.0008534300000000, 0.0011247900000000, -0.0004536100000000 ] - [ 0.0006096000000000, -0.0007605400000000, 0.0000533000000000 ] - [ -0.0008521400000000, 0.0011299500000000, 0.0005607600000000 ] - [ -0.0013243000000000, 0.0009400400000000, 0.0003890300000000 ] - [ -0.0013526400000000, 0.0006893200000000, 0.0000528000000000 ] - [ -0.0013243300000000, 0.0009407200000000, -0.0002845200000000 ] - [ 0.0023262600000000, 0.0001064700000000, -0.0000527600000000 ] - [ 0.0021113200000000, 0.0003020500000000, 0.0001738800000000 ] - [ 0.0021113900000000, 0.0003022900000000, -0.0002791600000000 ] - [ -0.0011574700000000, -0.0010257600000000, -0.0000528300000000 ] - [ -0.0011644400000000, -0.0008252600000000, -0.0001047600000000 ] - [ -0.0011644200000000, -0.0008254000000000, -0.0000006600000000 ] - [ 0.0015193900000000, 0.0001657700000000, -0.0002288100000000 ] - [ 0.0001236800000000, -0.0001287800000000, -0.0001184600000000 ] - [ 0.0015200400000000, 0.0001660500000000, -0.0000084000000000 ] - [ 0.0013517900000000, -0.0004075300000000, -0.0006282000000000 ] - [ 0.0008235300000000, -0.0000527900000000, -0.0001178600000000 ] - [ 0.0013521800000000, -0.0004076000000000, 0.0003920900000000 ] - [ -0.0012293400000000, -0.0017397700000000, 0.0001177100000000 ] - [ -0.0006804000000000, 0.0000034500000000, 0.0000779000000000 ] - [ -0.0006805100000000, 0.0000038300000000, 0.0001581200000000 ] - [ 0.0002298200000000, -0.0001650300000000, 0.0001184900000000 ] - [ 0.0002513700000000, 0.0001013700000000, 0.0001828000000000 ] - [ 0.0002511100000000, 0.0001011600000000, 0.0000537900000000 ]- atom: 49 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0005896100000000, -0.0001112500000000, -0.0002687000000000 ] - [ 0.0002521600000000, -0.0005956500000000, 0.0003244900000000 ] - [ 0.0005890900000000, -0.0001108000000000, 0.0009199000000000 ] - [ 0.0013258200000000, 0.0005769800000000, 0.0004186600000000 ] - [ 0.0012029600000000, 0.0007458100000000, 0.0003241600000000 ] - [ 0.0013226900000000, 0.0005760000000000, 0.0002287800000000 ] - [ -0.0117185300000000, 0.0072065300000000, -0.0003271800000000 ] - [ -0.0027388400000000, -0.0004121500000000, 0.0008551100000000 ] - [ -0.0027382600000000, -0.0004104300000000, -0.0015032700000000 ] - [ -0.0000974100000000, 0.0001769900000000, -0.0003227700000000 ] - [ 0.0006684200000000, -0.0006341300000000, 0.0000022500000000 ] - [ 0.0006658300000000, -0.0006315200000000, -0.0006509100000000 ] - [ -0.0088084500000000, 0.0005796500000000, 0.0036528200000000 ] - [ -0.0001637500000000, 0.0001504500000000, 0.0001654100000000 ] - [ -0.0088112300000000, 0.0005768500000000, -0.0033260600000000 ] - [ 0.0012372100000000, -0.0000272200000000, 0.0016186600000000 ] - [ -0.0001946000000000, -0.0004849900000000, 0.0001658900000000 ] - [ 0.0012371500000000, -0.0000257600000000, -0.0012874700000000 ] - [ 0.0013585300000000, -0.0011386500000000, -0.0001656900000000 ] - [ 0.0010626200000000, -0.0010097800000000, 0.0002811500000000 ] - [ 0.0010643500000000, -0.0010101700000000, -0.0006122100000000 ] - [ -0.0010797600000000, 0.0008104800000000, -0.0001669800000000 ] - [ -0.0009695400000000, 0.0007482000000000, -0.0000110600000000 ] - [ -0.0009687400000000, 0.0007446100000000, -0.0003203600000000 ] - [ -0.0031896100000000, 0.0013270000000000, -0.0001854400000000 ] - [ -0.0027005000000000, 0.0008359900000000, -0.0003719700000000 ] - [ -0.0026984900000000, 0.0008345000000000, 0.0000052500000000 ] - [ 0.0024865800000000, -0.0001800500000000, -0.0001836900000000 ] - [ 0.0023892600000000, -0.0002242000000000, -0.0000222000000000 ] - [ 0.0023849900000000, -0.0002200100000000, -0.0003469300000000 ] - [ 0.0009008100000000, -0.0003336900000000, 0.0002465900000000 ] - [ -0.0015119900000000, -0.0004518500000000, 0.0001843800000000 ] - [ 0.0009005700000000, -0.0003340000000000, 0.0001214800000000 ] - [ 0.0012508500000000, -0.0015826800000000, -0.0008564100000000 ] - [ 0.0020759900000000, -0.0003154200000000, 0.0001838500000000 ] - [ 0.0012499400000000, -0.0015826400000000, 0.0012260300000000 ] - [ 0.0030009600000000, 0.0006216700000000, -0.0002171700000000 ] - [ 0.0008656000000000, -0.0001696100000000, -0.0005467200000000 ] - [ 0.0008665200000000, -0.0001691900000000, 0.0001142000000000 ] - [ -0.0002553000000000, -0.0001069200000000, 0.0006886000000000 ] - [ -0.0001157600000000, 0.0000665700000000, 0.0002171800000000 ] - [ -0.0002560000000000, -0.0001070700000000, -0.0002567900000000 ] - [ -0.0043917200000000, -0.0020639800000000, -0.0000866700000000 ] - [ -0.0008805600000000, -0.0005174900000000, 0.0005069700000000 ] - [ -0.0043538400000000, -0.0020213400000000, 0.0010456100000000 ] - [ 0.0005335700000000, 0.0002060200000000, -0.0005072600000000 ] - [ 0.0003991200000000, 0.0001225400000000, -0.0004994200000000 ] - [ 0.0003988800000000, 0.0001226300000000, -0.0005162900000000 ] - [ 0.0578226400000000, 0.0018640500000000, 0.0000085100000000 ] - [ 0.0023169000000000, 0.0004703600000000, 0.0004552500000000 ] - [ 0.0023169000000000, 0.0004704300000000, -0.0005865400000000 ] - [ -0.0052256200000000, -0.0046817400000000, -0.0000632000000000 ] - [ -0.0001832700000000, -0.0002900900000000, -0.0009452400000000 ] - [ -0.0001832000000000, -0.0002897800000000, 0.0008118400000000 ] - [ -0.0003437900000000, -0.0000326200000000, -0.0000237200000000 ] - [ -0.0002348900000000, -0.0000617400000000, 0.0000652800000000 ] - [ -0.0003438800000000, -0.0000326200000000, 0.0001549700000000 ] - [ -0.0001671200000000, -0.0000726100000000, 0.0001551800000000 ] - [ -0.0001476100000000, -0.0000595200000000, 0.0000651800000000 ] - [ -0.0001668100000000, -0.0000726400000000, -0.0000245500000000 ] - [ 0.0005622200000000, -0.0003153300000000, -0.0001146800000000 ] - [ 0.0005025700000000, -0.0002239900000000, -0.0000308400000000 ] - [ 0.0005619700000000, -0.0003154300000000, 0.0000536400000000 ] - [ -0.0003583000000000, 0.0001467200000000, -0.0001337100000000 ] - [ -0.0002552200000000, -0.0000116200000000, -0.0000304700000000 ] - [ -0.0003580600000000, 0.0001465400000000, 0.0000730800000000 ] - [ -0.0005960500000000, -0.0001099700000000, 0.0000308600000000 ] - [ -0.0003013400000000, -0.0000278600000000, -0.0002168800000000 ] - [ -0.0003008300000000, -0.0000275200000000, 0.0002778500000000 ] - [ -0.0066768900000000, 0.0044329200000000, 0.0000304800000000 ] - [ -0.0006600800000000, 0.0011717600000000, 0.0010114800000000 ] - [ -0.0006602900000000, 0.0011721600000000, -0.0009512300000000 ] - [ 0.0008457000000000, -0.0017285200000000, 0.0002000300000000 ] - [ 0.0010089900000000, -0.0015273500000000, 0.0002614200000000 ] - [ 0.0010089700000000, -0.0015270000000000, 0.0001378300000000 ] - [ -0.0015699600000000, 0.0011003800000000, 0.0001990000000000 ] - [ -0.0014765300000000, 0.0011294600000000, 0.0001950900000000 ] - [ -0.0014765400000000, 0.0011291400000000, 0.0002029400000000 ] - [ -0.0059862100000000, 0.0038133800000000, -0.0059911400000000 ] - [ 0.0016376800000000, 0.0010557300000000, -0.0001996900000000 ] - [ -0.0059864900000000, 0.0038140000000000, 0.0055892300000000 ] - [ 0.0008665700000000, -0.0013277300000000, -0.0007941600000000 ] - [ -0.0008626300000000, -0.0009210100000000, -0.0001998800000000 ] - [ 0.0008689600000000, -0.0013290500000000, 0.0003931500000000 ] - [ -0.0038293500000000, -0.0038831300000000, 0.0000718600000000 ] - [ -0.0011921400000000, -0.0028034700000000, 0.0023975200000000 ] - [ -0.0011926400000000, -0.0028038400000000, -0.0022560100000000 ] - [ -0.0001203400000000, 0.0002792900000000, 0.0000712600000000 ] - [ 0.0001687700000000, 0.0005355500000000, -0.0000106700000000 ] - [ 0.0001687400000000, 0.0005354400000000, 0.0001531400000000 ] - [ -0.0013284400000000, 0.0015694500000000, -0.0009053700000000 ] - [ -0.0007067500000000, 0.0007951900000000, -0.0000717600000000 ] - [ -0.0013277200000000, 0.0015682900000000, 0.0007622500000000 ] - [ 0.0010276000000000, -0.0011987100000000, -0.0001492500000000 ] - [ 0.0006891800000000, -0.0006512600000000, -0.0000710800000000 ] - [ 0.0010273300000000, -0.0011988900000000, 0.0000071500000000 ] - [ 0.0035393400000000, -0.0022336100000000, 0.0005449100000000 ] - [ 0.0020644800000000, -0.0003560100000000, 0.0000522300000000 ] - [ 0.0035378800000000, -0.0022384900000000, -0.0004420000000000 ] - [ -0.0013520100000000, 0.0001771200000000, -0.0002837400000000 ] - [ -0.0013240000000000, 0.0004280100000000, 0.0000523400000000 ] - [ -0.0013518600000000, 0.0001765500000000, 0.0003891800000000 ] - [ 0.0003409900000000, 0.0010119800000000, -0.0000524300000000 ] - [ 0.0005570500000000, 0.0008180700000000, -0.0002793200000000 ] - [ 0.0005570400000000, 0.0008180900000000, 0.0001737200000000 ] - [ -0.0015120400000000, -0.0000910500000000, -0.0000526100000000 ] - [ -0.0015057900000000, -0.0002934900000000, 0.0000000300000000 ] - [ -0.0015056700000000, -0.0002934100000000, -0.0001051800000000 ] - [ -0.0022751000000000, -0.0001717400000000, -0.0000060800000000 ] - [ -0.0008749700000000, 0.0001240700000000, -0.0001185900000000 ] - [ -0.0022752900000000, -0.0001718100000000, -0.0002310100000000 ] - [ -0.0006084500000000, 0.0004219200000000, 0.0004008400000000 ] - [ -0.0000747800000000, 0.0000606300000000, -0.0001180000000000 ] - [ -0.0006083500000000, 0.0004218600000000, -0.0006368700000000 ] - [ 0.0004768200000000, 0.0017330900000000, 0.0001185700000000 ] - [ -0.0000700800000000, 0.0000028400000000, 0.0001580800000000 ] - [ -0.0000697600000000, 0.0000028600000000, 0.0000774200000000 ] - [ 0.0005182900000000, 0.0001522300000000, 0.0001186500000000 ] - [ 0.0004982000000000, -0.0001108000000000, 0.0000540300000000 ] - [ 0.0004981200000000, -0.0001109700000000, 0.0001826600000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0014819000000000, -0.0009198000000000, 0.0007973700000000 ] - [ -0.0012088000000000, -0.0007919500000000, 0.0003237000000000 ] - [ -0.0014821600000000, -0.0009193200000000, -0.0001454400000000 ] - [ 0.0008762500000000, 0.0003478700000000, 0.0001867200000000 ] - [ 0.0008286100000000, 0.0005935900000000, 0.0003255600000000 ] - [ 0.0008708600000000, 0.0003448700000000, 0.0004610700000000 ] - [ -0.0077823500000000, 0.0125880100000000, -0.0003263900000000 ] - [ -0.0002430500000000, 0.0013998400000000, 0.0001970800000000 ] - [ -0.0002418800000000, 0.0014021200000000, -0.0008466800000000 ] - [ 0.0004292100000000, -0.0025313500000000, -0.0003226300000000 ] - [ 0.0001556500000000, -0.0013433700000000, -0.0013609400000000 ] - [ 0.0001528100000000, -0.0013383800000000, 0.0007138500000000 ] - [ 0.0010343200000000, 0.0034546900000000, -0.0003011900000000 ] - [ 0.0006717200000000, 0.0012477400000000, 0.0001630800000000 ] - [ 0.0010403200000000, 0.0034497400000000, 0.0006376100000000 ] - [ -0.0015522300000000, -0.0004756700000000, -0.0008717300000000 ] - [ -0.0008518100000000, -0.0003417900000000, 0.0001651900000000 ] - [ -0.0015508000000000, -0.0004724100000000, 0.0012032000000000 ] - [ 0.0008980100000000, -0.0010720200000000, -0.0001655900000000 ] - [ 0.0007854800000000, -0.0010060400000000, -0.0000025500000000 ] - [ 0.0007870600000000, -0.0010066300000000, -0.0003288100000000 ] - [ -0.0004076000000000, -0.0004149300000000, -0.0001672200000000 ] - [ -0.0004503900000000, -0.0002039400000000, -0.0004804400000000 ] - [ -0.0004484000000000, -0.0002079300000000, 0.0001492900000000 ] - [ -0.0028417200000000, -0.0008568800000000, -0.0001843100000000 ] - [ -0.0026084600000000, -0.0004752400000000, 0.0004353200000000 ] - [ -0.0026060200000000, -0.0004778400000000, -0.0008031500000000 ] - [ 0.0021248800000000, -0.0010256000000000, -0.0001846200000000 ] - [ 0.0021118600000000, -0.0009309900000000, -0.0002414100000000 ] - [ 0.0021068900000000, -0.0009270700000000, -0.0001277800000000 ] - [ -0.0022879100000000, 0.0001986500000000, 0.0001046200000000 ] - [ -0.0022292700000000, 0.0000919600000000, 0.0001841800000000 ] - [ -0.0022861300000000, 0.0001968600000000, 0.0002648200000000 ] - [ 0.0036239400000000, 0.0002708600000000, -0.0003235200000000 ] - [ 0.0023847600000000, 0.0005491600000000, 0.0001835700000000 ] - [ 0.0036218900000000, 0.0002710000000000, 0.0006935300000000 ] - [ 0.0009608200000000, 0.0010124000000000, -0.0002169700000000 ] - [ -0.0000643600000000, 0.0005132800000000, -0.0003384500000000 ] - [ -0.0000636800000000, 0.0005139100000000, -0.0000942400000000 ] - [ 0.0000601200000000, -0.0008438400000000, 0.0004802800000000 ] - [ 0.0000119400000000, -0.0006524100000000, 0.0002169800000000 ] - [ 0.0000595200000000, -0.0008442200000000, -0.0000481700000000 ] - [ 0.0027505900000000, 0.0056304400000000, 0.0038344000000000 ] - [ 0.0003471000000000, 0.0009233200000000, 0.0005058700000000 ] - [ 0.0027010200000000, 0.0055810700000000, -0.0027498900000000 ] - [ -0.0001615100000000, -0.0005736900000000, -0.0005065300000000 ] - [ -0.0000612800000000, -0.0004929400000000, -0.0005066100000000 ] - [ -0.0000616900000000, -0.0004928400000000, -0.0005085600000000 ] - [ -0.0018781500000000, -0.0473099200000000, -0.0001381700000000 ] - [ -0.0002568500000000, -0.0004367400000000, -0.0004635900000000 ] - [ -0.0002570300000000, -0.0004370000000000, 0.0003331700000000 ] - [ 0.0045139600000000, 0.0030788100000000, -0.0000674700000000 ] - [ 0.0000720200000000, -0.0001558200000000, 0.0005460600000000 ] - [ 0.0000725500000000, -0.0001556000000000, -0.0006756800000000 ] - [ 0.0001819800000000, 0.0001696700000000, 0.0000591300000000 ] - [ 0.0001534200000000, 0.0001087700000000, 0.0000650600000000 ] - [ 0.0001818500000000, 0.0001698900000000, 0.0000721000000000 ] - [ -0.0002848600000000, 0.0004061100000000, 0.0000874000000000 ] - [ -0.0002727500000000, 0.0003224200000000, 0.0000652000000000 ] - [ -0.0002847800000000, 0.0004058400000000, 0.0000434600000000 ] - [ 0.0004038000000000, 0.0008002600000000, -0.0001023700000000 ] - [ 0.0002727600000000, 0.0007112300000000, -0.0000307100000000 ] - [ 0.0004033600000000, 0.0008003100000000, 0.0000413500000000 ] - [ -0.0003512100000000, 0.0004965700000000, -0.0000561000000000 ] - [ -0.0003504100000000, 0.0005004400000000, -0.0000303700000000 ] - [ -0.0003507100000000, 0.0004966000000000, -0.0000045000000000 ] - [ 0.0005527500000000, -0.0004923900000000, 0.0000305300000000 ] - [ 0.0003505900000000, -0.0003987100000000, 0.0001196300000000 ] - [ 0.0003509500000000, -0.0003989800000000, -0.0000583400000000 ] - [ -0.0044002900000000, 0.0002646700000000, 0.0000299000000000 ] - [ -0.0002922700000000, -0.0009721300000000, -0.0000060500000000 ] - [ -0.0002920400000000, -0.0009727000000000, 0.0000668900000000 ] - [ 0.0016841800000000, -0.0006756400000000, 0.0001992700000000 ] - [ 0.0015558600000000, -0.0008301600000000, 0.0001582000000000 ] - [ 0.0015558800000000, -0.0008296600000000, 0.0002402300000000 ] - [ -0.0012347400000000, 0.0013573500000000, 0.0001989400000000 ] - [ -0.0012662300000000, 0.0013320300000000, 0.0002117100000000 ] - [ -0.0012662500000000, 0.0013314700000000, 0.0001864600000000 ] - [ 0.0015760900000000, -0.0005458500000000, -0.0001714900000000 ] - [ 0.0010945800000000, 0.0007855300000000, -0.0001990700000000 ] - [ 0.0015775900000000, -0.0005478500000000, -0.0002254500000000 ] - [ -0.0021306700000000, 0.0031310200000000, 0.0031880700000000 ] - [ -0.0014192500000000, -0.0014285400000000, -0.0001992100000000 ] - [ -0.0021318000000000, 0.0031326600000000, -0.0035838500000000 ] - [ 0.0018985900000000, 0.0006053400000000, 0.0000710700000000 ] - [ -0.0001459400000000, -0.0005326500000000, -0.0004270900000000 ] - [ -0.0001455000000000, -0.0005313800000000, 0.0005708900000000 ] - [ 0.0008685200000000, 0.0010432300000000, 0.0000711300000000 ] - [ 0.0006202800000000, 0.0009222000000000, 0.0002345600000000 ] - [ 0.0006203800000000, 0.0009224500000000, -0.0000922100000000 ] - [ -0.0013668500000000, 0.0006767900000000, -0.0013603700000000 ] - [ -0.0006203500000000, 0.0006690000000000, -0.0000713800000000 ] - [ -0.0013660600000000, 0.0006762000000000, 0.0012165900000000 ] - [ -0.0000668900000000, 0.0008001500000000, -0.0000909100000000 ] - [ 0.0003106900000000, -0.0004813000000000, -0.0000706600000000 ] - [ -0.0000666200000000, 0.0007993800000000, -0.0000522800000000 ] - [ 0.0022945100000000, 0.0036220500000000, -0.0038287100000000 ] - [ 0.0012303500000000, -0.0008071600000000, 0.0000528300000000 ] - [ 0.0022939100000000, 0.0036228900000000, 0.0039326100000000 ] - [ -0.0010582500000000, 0.0010281600000000, 0.0002556900000000 ] - [ -0.0009965400000000, 0.0007475000000000, 0.0000528500000000 ] - [ -0.0010584500000000, 0.0010284500000000, -0.0001509400000000 ] - [ 0.0015111800000000, 0.0003582400000000, -0.0000527200000000 ] - [ 0.0013712800000000, 0.0004120400000000, -0.0001506700000000 ] - [ 0.0013712200000000, 0.0004122100000000, 0.0000451700000000 ] - [ -0.0015264300000000, -0.0002655200000000, -0.0000529600000000 ] - [ -0.0014267400000000, -0.0004374400000000, 0.0001721800000000 ] - [ -0.0014265600000000, -0.0004377000000000, -0.0002773600000000 ] - [ 0.0002191500000000, -0.0005633900000000, 0.0001488000000000 ] - [ -0.0002722900000000, -0.0003641900000000, -0.0001184800000000 ] - [ 0.0002199200000000, -0.0005633100000000, -0.0003862500000000 ] - [ 0.0000286600000000, 0.0000726200000000, 0.0003517100000000 ] - [ 0.0004215200000000, -0.0001865500000000, -0.0001179800000000 ] - [ 0.0000288200000000, 0.0000724200000000, -0.0005878900000000 ] - [ -0.0001601500000000, 0.0016517400000000, 0.0001183900000000 ] - [ -0.0005285100000000, 0.0004538600000000, -0.0000955700000000 ] - [ -0.0005282900000000, 0.0004539300000000, 0.0003311700000000 ] - [ 0.0004453500000000, 0.0008774800000000, 0.0001184400000000 ] - [ 0.0003752400000000, 0.0005431800000000, 0.0001515600000000 ] - [ 0.0003747700000000, 0.0005428600000000, 0.0000849600000000 ]- atom: 49 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0002897100000000, -0.0006592900000000, -0.0001506900000000 ] - [ -0.0005680500000000, -0.0007882700000000, 0.0003245300000000 ] - [ -0.0002906400000000, -0.0006590500000000, 0.0008005800000000 ] - [ 0.0008971400000000, 0.0012329600000000, 0.0004583800000000 ] - [ 0.0009395800000000, 0.0009876400000000, 0.0003230800000000 ] - [ 0.0008979400000000, 0.0012331300000000, 0.0001878300000000 ] - [ 0.0063891700000000, -0.0113961100000000, -0.0003219500000000 ] - [ -0.0015262200000000, 0.0001694700000000, -0.0008482900000000 ] - [ -0.0015250100000000, 0.0001693500000000, 0.0001990600000000 ] - [ 0.0013406800000000, 0.0009591600000000, -0.0003233100000000 ] - [ 0.0016132300000000, -0.0002332100000000, 0.0007119300000000 ] - [ 0.0016119800000000, -0.0002316700000000, -0.0013605900000000 ] - [ 0.0002978000000000, -0.0022531200000000, 0.0006143800000000 ] - [ 0.0006186700000000, -0.0000233600000000, 0.0001675200000000 ] - [ 0.0002938600000000, -0.0022481800000000, -0.0002842600000000 ] - [ 0.0002527200000000, -0.0007495000000000, 0.0011963100000000 ] - [ -0.0004420100000000, -0.0008797400000000, 0.0001658000000000 ] - [ 0.0002526500000000, -0.0007484100000000, -0.0008646400000000 ] - [ 0.0003923800000000, -0.0001512700000000, -0.0001652300000000 ] - [ 0.0005041800000000, -0.0002156100000000, -0.0003300300000000 ] - [ 0.0005068300000000, -0.0002155000000000, -0.0000022100000000 ] - [ -0.0008842700000000, 0.0016417900000000, -0.0001661400000000 ] - [ -0.0008397700000000, 0.0014308500000000, 0.0001486200000000 ] - [ -0.0008396800000000, 0.0014270900000000, -0.0004819400000000 ] - [ -0.0015850300000000, 0.0014993900000000, -0.0001836100000000 ] - [ -0.0018216300000000, 0.0011296500000000, -0.0008042100000000 ] - [ -0.0018196100000000, 0.0011284400000000, 0.0004373400000000 ] - [ 0.0023018500000000, 0.0003664400000000, -0.0001833100000000 ] - [ 0.0023227900000000, 0.0002698800000000, -0.0001278500000000 ] - [ 0.0023192200000000, 0.0002735900000000, -0.0002415500000000 ] - [ -0.0021430700000000, -0.0008592800000000, 0.0002644900000000 ] - [ -0.0022022300000000, -0.0007524500000000, 0.0001847400000000 ] - [ -0.0021431200000000, -0.0008604200000000, 0.0001034400000000 ] - [ 0.0008036400000000, 0.0004006300000000, 0.0006985400000000 ] - [ 0.0020441400000000, 0.0001117800000000, 0.0001834500000000 ] - [ 0.0008041400000000, 0.0004016300000000, -0.0003282700000000 ] - [ -0.0009634000000000, -0.0010096800000000, -0.0002166800000000 ] - [ 0.0000617900000000, -0.0005127600000000, -0.0000945000000000 ] - [ 0.0000616100000000, -0.0005126200000000, -0.0003382100000000 ] - [ -0.0000593100000000, 0.0008452300000000, -0.0000484800000000 ] - [ -0.0000123400000000, 0.0006528200000000, 0.0002164600000000 ] - [ -0.0000596400000000, 0.0008451700000000, 0.0004812100000000 ] - [ -0.0025962400000000, -0.0055926000000000, -0.0026329400000000 ] - [ -0.0003414100000000, -0.0009177200000000, 0.0005078800000000 ] - [ -0.0025499400000000, -0.0055453300000000, 0.0035825000000000 ] - [ 0.0001610000000000, 0.0005734000000000, -0.0005076100000000 ] - [ 0.0000597900000000, 0.0004930300000000, -0.0005086200000000 ] - [ 0.0000600200000000, 0.0004937900000000, -0.0005059700000000 ] - [ 0.0014847900000000, 0.0476859800000000, 0.0000034800000000 ] - [ 0.0005847500000000, 0.0005222100000000, 0.0003218100000000 ] - [ 0.0005847000000000, 0.0005223300000000, -0.0004535500000000 ] - [ -0.0047960800000000, -0.0031200700000000, -0.0000633700000000 ] - [ -0.0004094800000000, 0.0000661700000000, -0.0006782600000000 ] - [ -0.0004101000000000, 0.0000658800000000, 0.0005458600000000 ] - [ 0.0001520200000000, -0.0002555300000000, 0.0000722900000000 ] - [ 0.0001816700000000, -0.0001943100000000, 0.0000651300000000 ] - [ 0.0001518900000000, -0.0002553100000000, 0.0000583600000000 ] - [ -0.0000477100000000, -0.0003197100000000, 0.0000442200000000 ] - [ -0.0000606200000000, -0.0002352200000000, 0.0000650100000000 ] - [ -0.0000472900000000, -0.0003193700000000, 0.0000869200000000 ] - [ 0.0001958500000000, -0.0008896300000000, 0.0000399400000000 ] - [ 0.0003267000000000, -0.0008031100000000, -0.0000308500000000 ] - [ 0.0001954000000000, -0.0008893700000000, -0.0001010800000000 ] - [ -0.0002485500000000, -0.0004058600000000, -0.0000043300000000 ] - [ -0.0002488200000000, -0.0004099200000000, -0.0000302800000000 ] - [ -0.0002480100000000, -0.0004062000000000, -0.0000564700000000 ] - [ 0.0000483400000000, 0.0005822800000000, 0.0000306700000000 ] - [ 0.0002485800000000, 0.0004895000000000, -0.0000575700000000 ] - [ 0.0002491600000000, 0.0004895900000000, 0.0001187400000000 ] - [ 0.0037812000000000, -0.0003676000000000, 0.0000305500000000 ] - [ -0.0003043500000000, 0.0008774400000000, 0.0000644200000000 ] - [ -0.0003046600000000, 0.0008781000000000, -0.0000042600000000 ] - [ 0.0008700400000000, -0.0015437900000000, 0.0001995400000000 ] - [ 0.0009966700000000, -0.0013891300000000, 0.0002413100000000 ] - [ 0.0009970000000000, -0.0013892800000000, 0.0001581200000000 ] - [ -0.0013175900000000, 0.0008632300000000, 0.0001991200000000 ] - [ -0.0012852900000000, 0.0008894100000000, 0.0001867200000000 ] - [ -0.0012859200000000, 0.0008889800000000, 0.0002114100000000 ] - [ 0.0009766700000000, 0.0027725200000000, -0.0002216600000000 ] - [ 0.0014542100000000, 0.0014377200000000, -0.0001989400000000 ] - [ 0.0009753000000000, 0.0027736000000000, -0.0001784100000000 ] - [ -0.0004425400000000, -0.0053043500000000, -0.0035521300000000 ] - [ -0.0011336500000000, -0.0007958100000000, -0.0001995700000000 ] - [ -0.0004419000000000, -0.0053054200000000, 0.0031493300000000 ] - [ -0.0029570300000000, -0.0019885300000000, 0.0000717700000000 ] - [ -0.0008854200000000, -0.0008300200000000, 0.0005579400000000 ] - [ -0.0008855600000000, -0.0008308200000000, -0.0004165300000000 ] - [ 0.0001707700000000, 0.0003366000000000, 0.0000713200000000 ] - [ 0.0004170700000000, 0.0004571400000000, -0.0000910200000000 ] - [ 0.0004166300000000, 0.0004570000000000, 0.0002334100000000 ] - [ 0.0003379200000000, 0.0007004200000000, 0.0012325200000000 ] - [ -0.0004168200000000, 0.0007123100000000, -0.0000716000000000 ] - [ 0.0003368100000000, 0.0007012400000000, -0.0013748800000000 ] - [ 0.0011055100000000, -0.0021817600000000, -0.0000532700000000 ] - [ 0.0007257600000000, -0.0009002500000000, -0.0000708500000000 ] - [ 0.0011049400000000, -0.0021813500000000, -0.0000888600000000 ] - [ 0.0003663700000000, -0.0047913200000000, 0.0039925500000000 ] - [ 0.0014379900000000, -0.0003071300000000, 0.0000528100000000 ] - [ 0.0003664800000000, -0.0047920900000000, -0.0038865900000000 ] - [ -0.0016127300000000, 0.0000897100000000, -0.0001495900000000 ] - [ -0.0016719800000000, 0.0003710300000000, 0.0000524700000000 ] - [ -0.0016124800000000, 0.0000893900000000, 0.0002545300000000 ] - [ 0.0011600200000000, 0.0007619400000000, -0.0000525000000000 ] - [ 0.0013013500000000, 0.0007079300000000, 0.0000462100000000 ] - [ 0.0013007100000000, 0.0007082100000000, -0.0001515900000000 ] - [ -0.0011419000000000, -0.0008565300000000, -0.0000526800000000 ] - [ -0.0012420600000000, -0.0006841500000000, -0.0002764300000000 ] - [ -0.0012414800000000, -0.0006841100000000, 0.0001711500000000 ] - [ -0.0009621400000000, 0.0005481600000000, -0.0003830000000000 ] - [ -0.0004751500000000, 0.0003512500000000, -0.0001182700000000 ] - [ -0.0009628600000000, 0.0005480600000000, 0.0001461200000000 ] - [ 0.0007215300000000, -0.0000570400000000, -0.0005848600000000 ] - [ 0.0003304900000000, 0.0001988500000000, -0.0001179000000000 ] - [ 0.0007220500000000, -0.0000570200000000, 0.0003487900000000 ] - [ -0.0005927600000000, -0.0016394000000000, 0.0001176300000000 ] - [ -0.0002220500000000, -0.0004402200000000, 0.0003326000000000 ] - [ -0.0002221500000000, -0.0004396500000000, -0.0000963500000000 ] - [ 0.0003036900000000, -0.0008909500000000, 0.0001189400000000 ] - [ 0.0003745800000000, -0.0005569100000000, 0.0000849100000000 ] - [ 0.0003750000000000, -0.0005571100000000, 0.0001518800000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0007359100000000, -0.0003999400000000, 0.0008681500000000 ] - [ -0.0008838700000000, -0.0007875900000000, -0.0008115900000000 ] - [ -0.0010362800000000, -0.0011751100000000, 0.0008574300000000 ] - [ 0.0009927400000000, 0.0007135800000000, 0.0004052500000000 ] - [ 0.0008839900000000, 0.0007899000000000, 0.0001733000000000 ] - [ 0.0007806800000000, 0.0008669700000000, 0.0004065900000000 ] - [ -0.0008907800000000, 0.0007987100000000, 0.0055364000000000 ] - [ -0.0013933300000000, 0.0019870500000000, -0.0019928500000000 ] - [ -0.0003853800000000, -0.0004025400000000, -0.0020074700000000 ] - [ 0.0008805900000000, -0.0007884700000000, 0.0022168900000000 ] - [ 0.0001473500000000, -0.0014575900000000, -0.0015908100000000 ] - [ 0.0016198300000000, -0.0001183000000000, -0.0015930900000000 ] - [ -0.0049019100000000, 0.0004550500000000, 0.0097298400000000 ] - [ 0.0006540600000000, 0.0006129900000000, -0.0031945600000000 ] - [ 0.0058265700000000, 0.0007068200000000, 0.0093732900000000 ] - [ -0.0009873200000000, -0.0010796100000000, 0.0004976400000000 ] - [ -0.0006431800000000, -0.0006134000000000, -0.0005319500000000 ] - [ -0.0003012100000000, -0.0001456500000000, 0.0004959000000000 ] - [ 0.0006476900000000, -0.0006140400000000, 0.0004489000000000 ] - [ 0.0004503700000000, -0.0004049000000000, -0.0004764100000000 ] - [ 0.0008411000000000, -0.0008202800000000, -0.0004810200000000 ] - [ -0.0006437500000000, 0.0006122700000000, 0.0009613100000000 ] - [ -0.0003955500000000, 0.0003974100000000, -0.0007867800000000 ] - [ -0.0008892100000000, 0.0008272900000000, -0.0007871100000000 ] - [ -0.0022086300000000, 0.0003272000000000, 0.0024007200000000 ] - [ -0.0019119000000000, 0.0012398100000000, -0.0012263100000000 ] - [ -0.0025163100000000, -0.0005804800000000, -0.0012246600000000 ] - [ 0.0022123500000000, -0.0003290500000000, -0.0000299600000000 ] - [ 0.0021100900000000, -0.0003183200000000, -0.0002651700000000 ] - [ 0.0023201900000000, -0.0003377400000000, -0.0002655100000000 ] - [ -0.0035826400000000, -0.0001577700000000, 0.0005364700000000 ] - [ -0.0022145500000000, -0.0003296200000000, -0.0003806100000000 ] - [ -0.0008285100000000, -0.0005008800000000, 0.0005372500000000 ] - [ 0.0038282700000000, 0.0002455700000000, 0.0008089600000000 ] - [ 0.0022148900000000, 0.0003237900000000, -0.0007487800000000 ] - [ 0.0005958900000000, 0.0004139400000000, 0.0008030100000000 ] - [ 0.0000000600000000, -0.0000032100000000, 0.0004063300000000 ] - [ 0.0004690000000000, -0.0000777700000000, -0.0005699300000000 ] - [ -0.0004622500000000, 0.0000748700000000, -0.0005700000000000 ] - [ -0.0002038500000000, 0.0001208000000000, 0.0005019300000000 ] - [ -0.0000011700000000, -0.0000000700000000, -0.0003480200000000 ] - [ 0.0002016300000000, -0.0001216800000000, 0.0004974400000000 ] - [ 0.0001371100000000, 0.0018037800000000, 0.0068614800000000 ] - [ -0.0000124600000000, -0.0000137700000000, -0.0025972200000000 ] - [ 0.0002136900000000, -0.0014166800000000, 0.0063777100000000 ] - [ -0.0000009800000000, -0.0000010400000000, -0.0002606100000000 ] - [ 0.0001657100000000, 0.0001400500000000, -0.0006331800000000 ] - [ -0.0001661100000000, -0.0001389300000000, -0.0006330800000000 ] - [ 0.0001737700000000, -0.0002243300000000, -0.0566533900000000 ] - [ 0.0007014600000000, 0.0004419000000000, 0.0055612500000000 ] - [ -0.0003513800000000, -0.0003443800000000, 0.0054929500000000 ] - [ -0.0001790200000000, -0.0000557300000000, -0.0021128400000000 ] - [ 0.0006992200000000, 0.0005575700000000, 0.0009607700000000 ] - [ -0.0010496500000000, -0.0006648600000000, 0.0009735300000000 ] - [ 0.0000813200000000, -0.0000561000000000, -0.0000620700000000 ] - [ 0.0001704700000000, -0.0000498100000000, 0.0002561300000000 ] - [ 0.0002609600000000, -0.0000428400000000, -0.0000613000000000 ] - [ -0.0002612900000000, 0.0000283700000000, -0.0000840800000000 ] - [ -0.0001719800000000, 0.0000498600000000, 0.0004011200000000 ] - [ -0.0000827900000000, 0.0000715700000000, -0.0000819700000000 ] - [ 0.0002469000000000, -0.0002268300000000, -0.0002631600000000 ] - [ 0.0003029800000000, -0.0000479700000000, 0.0005629700000000 ] - [ 0.0003585900000000, 0.0001307600000000, -0.0002617500000000 ] - [ -0.0003168400000000, -0.0000231000000000, -0.0001128300000000 ] - [ -0.0003025400000000, 0.0000465100000000, 0.0001618800000000 ] - [ -0.0002888700000000, 0.0001172400000000, -0.0001121800000000 ] - [ 0.0003002200000000, 0.0000468300000000, -0.0006688500000000 ] - [ 0.0004414300000000, 0.0002446500000000, 0.0003557100000000 ] - [ 0.0001616800000000, -0.0001497600000000, 0.0003564000000000 ] - [ -0.0002952100000000, -0.0000486600000000, -0.0023903900000000 ] - [ -0.0010732500000000, 0.0010794500000000, 0.0012238300000000 ] - [ 0.0004630700000000, -0.0011643300000000, 0.0012211000000000 ] - [ 0.0012736700000000, -0.0011127700000000, -0.0000083300000000 ] - [ 0.0008159000000000, -0.0013365800000000, 0.0002617000000000 ] - [ 0.0017266700000000, -0.0008942600000000, 0.0002629400000000 ] - [ -0.0012725300000000, 0.0011155000000000, 0.0001182800000000 ] - [ -0.0012745700000000, 0.0011476300000000, 0.0002364700000000 ] - [ -0.0012711500000000, 0.0010841100000000, 0.0002367200000000 ] - [ 0.0080631000000000, -0.0013476600000000, 0.0023986900000000 ] - [ 0.0012764100000000, 0.0011149700000000, 0.0007793500000000 ] - [ -0.0054812700000000, 0.0035538600000000, 0.0023947300000000 ] - [ -0.0016977200000000, 0.0038199700000000, 0.0017653200000000 ] - [ -0.0012714200000000, -0.0011122200000000, 0.0006421500000000 ] - [ -0.0008540700000000, -0.0060206100000000, 0.0017678200000000 ] - [ -0.0004994300000000, -0.0006833800000000, -0.0028689400000000 ] - [ -0.0015358000000000, -0.0026528400000000, 0.0027168000000000 ] - [ 0.0004907100000000, 0.0012597800000000, 0.0027123600000000 ] - [ 0.0005189500000000, 0.0006896200000000, -0.0000944000000000 ] - [ 0.0005713300000000, 0.0006742600000000, 0.0001593200000000 ] - [ 0.0004673000000000, 0.0007051700000000, 0.0001595800000000 ] - [ -0.0005487900000000, -0.0000082500000000, -0.0006690500000000 ] - [ -0.0005192800000000, 0.0006893400000000, 0.0004608500000000 ] - [ -0.0004988700000000, 0.0013925800000000, -0.0006574700000000 ] - [ -0.0001821000000000, 0.0010205100000000, -0.0003335300000000 ] - [ 0.0005203200000000, -0.0006890300000000, 0.0003674500000000 ] - [ 0.0012231300000000, -0.0024025400000000, -0.0003330300000000 ] - [ 0.0008184200000000, -0.0064319400000000, 0.0021079800000000 ] - [ 0.0013367900000000, -0.0005628300000000, 0.0013468000000000 ] - [ 0.0018505600000000, 0.0052604900000000, 0.0021152500000000 ] - [ -0.0011819000000000, 0.0006052600000000, -0.0001712100000000 ] - [ -0.0013360600000000, 0.0005589600000000, 0.0005139100000000 ] - [ -0.0014906800000000, 0.0005131600000000, -0.0001704400000000 ] - [ 0.0013361700000000, 0.0005597200000000, -0.0009027600000000 ] - [ 0.0014374900000000, 0.0003919200000000, 0.0003023400000000 ] - [ 0.0012328800000000, 0.0007278500000000, 0.0003047200000000 ] - [ -0.0013366400000000, -0.0005598600000000, -0.0005411200000000 ] - [ -0.0014420100000000, -0.0004519600000000, 0.0001759100000000 ] - [ -0.0012310800000000, -0.0006671800000000, 0.0001763900000000 ] - [ -0.0013934700000000, 0.0000486700000000, -0.0005035500000000 ] - [ -0.0003768600000000, -0.0000013300000000, 0.0003952700000000 ] - [ 0.0006239200000000, -0.0000486600000000, -0.0004997400000000 ] - [ 0.0002151100000000, 0.0001471200000000, -0.0002917200000000 ] - [ 0.0003732900000000, 0.0000016900000000, 0.0001982400000000 ] - [ 0.0005332700000000, -0.0001455000000000, -0.0002887100000000 ] - [ -0.0003725300000000, 0.0000087400000000, -0.0002710100000000 ] - [ -0.0001797400000000, -0.0003891200000000, 0.0004301600000000 ] - [ -0.0005686500000000, 0.0003913500000000, 0.0004315600000000 ] - [ 0.0003751000000000, 0.0000001000000000, 0.0000040800000000 ] - [ 0.0004244200000000, 0.0000213900000000, 0.0001517200000000 ] - [ 0.0003257300000000, -0.0000246300000000, 0.0001518200000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0010319600000000, -0.0011783000000000, -0.0002084400000000 ] - [ -0.0008789300000000, -0.0007909100000000, 0.0014602500000000 ] - [ -0.0007319400000000, -0.0004027700000000, -0.0002161800000000 ] - [ 0.0007806700000000, 0.0008709500000000, 0.0002402500000000 ] - [ 0.0008839000000000, 0.0007927600000000, 0.0004766400000000 ] - [ 0.0009879400000000, 0.0007144100000000, 0.0002407900000000 ] - [ -0.0008919500000000, 0.0008057500000000, -0.0061842700000000 ] - [ -0.0003838200000000, -0.0004032700000000, 0.0013585800000000 ] - [ -0.0013898800000000, 0.0019901000000000, 0.0013418200000000 ] - [ 0.0008761400000000, -0.0007910700000000, -0.0028631000000000 ] - [ 0.0016176400000000, -0.0001245600000000, 0.0009446500000000 ] - [ 0.0001411900000000, -0.0014584200000000, 0.0009423300000000 ] - [ 0.0058237500000000, 0.0007062200000000, -0.0090522500000000 ] - [ 0.0006572500000000, 0.0006129600000000, 0.0035244400000000 ] - [ -0.0049027900000000, 0.0004547800000000, -0.0093856400000000 ] - [ -0.0003012600000000, -0.0001469000000000, -0.0001623100000000 ] - [ -0.0006456300000000, -0.0006125700000000, 0.0008628700000000 ] - [ -0.0009870300000000, -0.0010761700000000, -0.0001686200000000 ] - [ 0.0006500700000000, -0.0006137000000000, -0.0007798900000000 ] - [ 0.0008434400000000, -0.0008197400000000, 0.0001494800000000 ] - [ 0.0004546900000000, -0.0004050800000000, 0.0001451200000000 ] - [ -0.0006473600000000, 0.0006125400000000, -0.0012942600000000 ] - [ -0.0008950100000000, 0.0008305500000000, 0.0004558800000000 ] - [ -0.0003998700000000, 0.0003941000000000, 0.0004555500000000 ] - [ -0.0022171200000000, 0.0003269300000000, -0.0027683100000000 ] - [ -0.0025237700000000, -0.0005781800000000, 0.0008574500000000 ] - [ -0.0019170700000000, 0.0012362100000000, 0.0008573300000000 ] - [ 0.0022189300000000, -0.0003281400000000, -0.0003374400000000 ] - [ 0.0023293000000000, -0.0003407500000000, -0.0001037200000000 ] - [ 0.0021115300000000, -0.0003142000000000, -0.0001048500000000 ] - [ -0.0008349500000000, -0.0004999500000000, -0.0001694200000000 ] - [ -0.0022184400000000, -0.0003290600000000, 0.0007493800000000 ] - [ -0.0035863100000000, -0.0001595300000000, -0.0001665100000000 ] - [ 0.0006023900000000, 0.0004123100000000, -0.0004353000000000 ] - [ 0.0022195700000000, 0.0003243400000000, 0.0011169400000000 ] - [ 0.0038323400000000, 0.0002443800000000, -0.0004379000000000 ] - [ 0.0000012600000000, -0.0000026700000000, -0.0008398100000000 ] - [ -0.0004628200000000, 0.0000746500000000, 0.0001371500000000 ] - [ 0.0004697400000000, -0.0000773200000000, 0.0001372500000000 ] - [ 0.0002017900000000, -0.0001215900000000, -0.0000647600000000 ] - [ -0.0000009600000000, -0.0000000500000000, 0.0007813200000000 ] - [ -0.0002041200000000, 0.0001203900000000, -0.0000695300000000 ] - [ 0.0001477300000000, -0.0014860600000000, -0.0054549900000000 ] - [ -0.0000105500000000, -0.0000105600000000, 0.0036109200000000 ] - [ 0.0000682300000000, 0.0017314200000000, -0.0057516600000000 ] - [ -0.0000004000000000, -0.0000004600000000, -0.0007533300000000 ] - [ -0.0001651600000000, -0.0001391900000000, -0.0003815000000000 ] - [ 0.0001664500000000, 0.0001400900000000, -0.0003827300000000 ] - [ 0.0003232100000000, -0.0000834300000000, 0.0565220000000000 ] - [ -0.0003527800000000, -0.0003466500000000, -0.0056241500000000 ] - [ 0.0007001700000000, 0.0004400600000000, -0.0056919800000000 ] - [ -0.0001828700000000, -0.0000591500000000, 0.0019819000000000 ] - [ -0.0010461500000000, -0.0006618200000000, -0.0011046800000000 ] - [ 0.0007028600000000, 0.0005604200000000, -0.0010914800000000 ] - [ 0.0002599000000000, -0.0000420500000000, 0.0001922500000000 ] - [ 0.0001697700000000, -0.0000487500000000, -0.0001256500000000 ] - [ 0.0000801300000000, -0.0000552800000000, 0.0001932400000000 ] - [ -0.0000820700000000, 0.0000703600000000, 0.0002133000000000 ] - [ -0.0001713800000000, 0.0000484500000000, -0.0002706500000000 ] - [ -0.0002606500000000, 0.0000271400000000, 0.0002146400000000 ] - [ 0.0003582800000000, 0.0001302100000000, 0.0002005400000000 ] - [ 0.0003026600000000, -0.0000482400000000, -0.0006241500000000 ] - [ 0.0002466900000000, -0.0002273600000000, 0.0002019100000000 ] - [ -0.0002884400000000, 0.0001175600000000, 0.0000515300000000 ] - [ -0.0003019100000000, 0.0000470100000000, -0.0002228800000000 ] - [ -0.0003164600000000, -0.0000226300000000, 0.0000524200000000 ] - [ 0.0002986300000000, 0.0000473600000000, 0.0007300800000000 ] - [ 0.0001605200000000, -0.0001493000000000, -0.0002953800000000 ] - [ 0.0004404900000000, 0.0002450900000000, -0.0002941400000000 ] - [ -0.0002942000000000, -0.0000481500000000, 0.0024505400000000 ] - [ 0.0004633900000000, -0.0011640200000000, -0.0011602500000000 ] - [ -0.0010727800000000, 0.0010798900000000, -0.0011637900000000 ] - [ 0.0012735000000000, -0.0011148000000000, 0.0004074500000000 ] - [ 0.0017270800000000, -0.0008953600000000, 0.0001355100000000 ] - [ 0.0008163000000000, -0.0013375700000000, 0.0001374300000000 ] - [ -0.0012730500000000, 0.0011161000000000, 0.0002800100000000 ] - [ -0.0012714300000000, 0.0010843900000000, 0.0001612400000000 ] - [ -0.0012746800000000, 0.0011479200000000, 0.0001617100000000 ] - [ -0.0054801400000000, 0.0035533400000000, -0.0027981700000000 ] - [ 0.0012766300000000, 0.0011152000000000, -0.0011776900000000 ] - [ 0.0080643200000000, -0.0013483500000000, -0.0027915500000000 ] - [ -0.0008556200000000, -0.0060180400000000, -0.0021707300000000 ] - [ -0.0012715200000000, -0.0011124600000000, -0.0010414600000000 ] - [ -0.0016996300000000, 0.0038225400000000, -0.0021602000000000 ] - [ -0.0005037500000000, -0.0006861600000000, 0.0030120200000000 ] - [ 0.0004917100000000, 0.0012594700000000, -0.0025688400000000 ] - [ -0.0015347300000000, -0.0026531300000000, -0.0025752500000000 ] - [ 0.0005168400000000, 0.0006888900000000, 0.0002369700000000 ] - [ 0.0004659900000000, 0.0007047100000000, -0.0000173800000000 ] - [ 0.0005697500000000, 0.0006736400000000, -0.0000168400000000 ] - [ -0.0004977300000000, 0.0013922700000000, 0.0005144900000000 ] - [ -0.0005183400000000, 0.0006888100000000, -0.0006040900000000 ] - [ -0.0005479900000000, -0.0000084800000000, 0.0005256400000000 ] - [ 0.0012216800000000, -0.0024017800000000, 0.0001912300000000 ] - [ 0.0005190000000000, -0.0006885100000000, -0.0005097000000000 ] - [ -0.0001833500000000, 0.0010213800000000, 0.0001910900000000 ] - [ 0.0018513200000000, 0.0052604400000000, -0.0020092800000000 ] - [ 0.0013368800000000, -0.0005619600000000, -0.0012415000000000 ] - [ 0.0008193600000000, -0.0064322300000000, -0.0020039900000000 ] - [ -0.0014897500000000, 0.0005120600000000, 0.0002750600000000 ] - [ -0.0013354900000000, 0.0005582600000000, -0.0004089500000000 ] - [ -0.0011809700000000, 0.0006043600000000, 0.0002767800000000 ] - [ 0.0013345200000000, 0.0005591800000000, 0.0007976900000000 ] - [ 0.0012316200000000, 0.0007271300000000, -0.0004099400000000 ] - [ 0.0014362400000000, 0.0003911200000000, -0.0004077900000000 ] - [ -0.0013360400000000, -0.0005587100000000, 0.0004358600000000 ] - [ -0.0012305300000000, -0.0006660400000000, -0.0002816400000000 ] - [ -0.0014414100000000, -0.0004508000000000, -0.0002810800000000 ] - [ 0.0006237200000000, -0.0000500300000000, 0.0002626200000000 ] - [ -0.0003776300000000, -0.0000024400000000, -0.0006324200000000 ] - [ -0.0013934700000000, 0.0000478800000000, 0.0002665500000000 ] - [ 0.0005330000000000, -0.0001441500000000, 0.0000532900000000 ] - [ 0.0003732800000000, 0.0000030700000000, -0.0004342400000000 ] - [ 0.0002150400000000, 0.0001484700000000, 0.0000552300000000 ] - [ -0.0003723200000000, 0.0000107100000000, 0.0005070500000000 ] - [ -0.0005688300000000, 0.0003924500000000, -0.0001957500000000 ] - [ -0.0001798000000000, -0.0003878500000000, -0.0001940300000000 ] - [ 0.0003754800000000, -0.0000007700000000, 0.0002325500000000 ] - [ 0.0003263700000000, -0.0000257600000000, 0.0000848800000000 ] - [ 0.0004247400000000, 0.0000202200000000, 0.0000853000000000 ]- atom: 61 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0014935300000000, 0.0004619600000000, 0.0003245100000000 ] - [ -0.0012562400000000, -0.0001020600000000, 0.0008849500000000 ] - [ -0.0012549000000000, -0.0001014600000000, -0.0002353400000000 ] - [ 0.0002819400000000, -0.0001451300000000, 0.0003225300000000 ] - [ 0.0005685500000000, 0.0006299800000000, 0.0004936600000000 ] - [ 0.0005697200000000, 0.0006293500000000, 0.0001566200000000 ] - [ -0.0006856300000000, -0.0007360500000000, -0.0004694100000000 ] - [ -0.0006859500000000, -0.0007363800000000, -0.0001789500000000 ] - [ -0.0004734700000000, 0.0004023900000000, -0.0003251900000000 ] - [ 0.0015736100000000, 0.0003592400000000, -0.0006576300000000 ] - [ 0.0015756000000000, 0.0003588400000000, 0.0000108100000000 ] - [ 0.0014789700000000, -0.0006035100000000, -0.0003239300000000 ] - [ 0.0010354000000000, 0.0006266000000000, 0.0001669900000000 ] - [ 0.0008924400000000, 0.0006889000000000, 0.0001964800000000 ] - [ 0.0008925800000000, 0.0006877600000000, 0.0001331200000000 ] - [ -0.0009690400000000, -0.0005926900000000, 0.0001651000000000 ] - [ -0.0009338900000000, -0.0005134700000000, 0.0002397000000000 ] - [ -0.0009351400000000, -0.0005125200000000, 0.0000920000000000 ] - [ -0.0008836200000000, -0.0004662300000000, -0.0005078100000000 ] - [ -0.0008855200000000, -0.0004648000000000, 0.0001778400000000 ] - [ -0.0000771300000000, -0.0005193300000000, -0.0001662200000000 ] - [ 0.0027820900000000, 0.0007567500000000, -0.0008540300000000 ] - [ 0.0027820900000000, 0.0007572800000000, 0.0005221300000000 ] - [ -0.0001264700000000, 0.0007491200000000, -0.0001655000000000 ] - [ 0.0014199500000000, 0.0041024100000000, -0.0033336700000000 ] - [ 0.0014164100000000, 0.0041017700000000, 0.0029643200000000 ] - [ -0.0016741500000000, 0.0002903600000000, -0.0001832800000000 ] - [ 0.0004860200000000, -0.0000610900000000, -0.0005504500000000 ] - [ 0.0004897000000000, -0.0000620400000000, 0.0001816000000000 ] - [ 0.0018269800000000, -0.0001130200000000, -0.0001848200000000 ] - [ -0.0026304900000000, -0.0003122500000000, 0.0001847700000000 ] - [ -0.0025813400000000, -0.0004190300000000, 0.0002595100000000 ] - [ -0.0025780200000000, -0.0004196000000000, 0.0001089600000000 ] - [ 0.0024655800000000, -0.0000323300000000, 0.0001848200000000 ] - [ 0.0023765700000000, 0.0000850700000000, 0.0003143800000000 ] - [ 0.0023750100000000, 0.0000866000000000, 0.0000540100000000 ] - [ -0.0000750500000000, -0.0000217500000000, -0.0002936400000000 ] - [ -0.0000750300000000, -0.0000222800000000, -0.0001396800000000 ] - [ -0.0000710700000000, -0.0000002900000000, -0.0002164100000000 ] - [ 0.0298460000000000, -0.0027263000000000, 0.0002133000000000 ] - [ 0.0005212300000000, 0.0001733200000000, -0.0013514300000000 ] - [ 0.0005214400000000, 0.0001735400000000, 0.0017839900000000 ] - [ 0.0001698300000000, -0.0000772700000000, 0.0005081200000000 ] - [ 0.0001593800000000, -0.0000320800000000, 0.0004707200000000 ] - [ 0.0001589400000000, -0.0000319700000000, 0.0005433700000000 ] - [ -0.0014314800000000, -0.0001001800000000, -0.0012707700000000 ] - [ -0.0014302700000000, -0.0001014400000000, 0.0002560000000000 ] - [ -0.0004477200000000, 0.0002524200000000, -0.0005077300000000 ] - [ -0.0000922100000000, 0.0001490600000000, -0.0001218600000000 ] - [ -0.0000921200000000, 0.0001488300000000, -0.0000093500000000 ] - [ -0.0000330900000000, 0.0000165200000000, -0.0000654700000000 ] - [ -0.0001127300000000, -0.0000963000000000, -0.0000513700000000 ] - [ -0.0001124100000000, -0.0000962500000000, -0.0000794000000000 ] - [ -0.0002159200000000, -0.0000957500000000, -0.0000656900000000 ] - [ 0.0010656500000000, -0.0002977400000000, 0.0000648900000000 ] - [ 0.0007705700000000, -0.0000961000000000, -0.0000754500000000 ] - [ 0.0007702700000000, -0.0000962000000000, 0.0002059400000000 ] - [ 0.0061238300000000, 0.0041011900000000, 0.0000652600000000 ] - [ 0.0001905600000000, 0.0000387300000000, -0.0007030800000000 ] - [ 0.0001907000000000, 0.0000384100000000, 0.0008341100000000 ] - [ -0.0578822600000000, -0.0032740200000000, -0.0000280800000000 ] - [ -0.0006347500000000, -0.0003059300000000, -0.0001021600000000 ] - [ -0.0006349100000000, -0.0003058700000000, 0.0000411300000000 ] - [ -0.0004279400000000, 0.0002207800000000, -0.0000300900000000 ] - [ 0.0003133000000000, -0.0000876500000000, 0.0002498800000000 ] - [ 0.0003134400000000, -0.0000877200000000, -0.0003106800000000 ] - [ 0.0004140500000000, 0.0000354600000000, 0.0000532300000000 ] - [ 0.0004140700000000, 0.0000357200000000, 0.0000082600000000 ] - [ 0.0004089600000000, 0.0000452400000000, 0.0000304500000000 ] - [ -0.0003751700000000, 0.0000248400000000, 0.0000481400000000 ] - [ -0.0003752800000000, 0.0000251800000000, 0.0000122600000000 ] - [ -0.0003457300000000, 0.0000121200000000, 0.0000301700000000 ] - [ 0.0039692800000000, -0.0039773100000000, 0.0026231200000000 ] - [ 0.0039726700000000, -0.0039775700000000, -0.0022250600000000 ] - [ 0.0011067200000000, -0.0011198300000000, 0.0001995400000000 ] - [ -0.0006669700000000, 0.0011320500000000, 0.0004765100000000 ] - [ -0.0006670300000000, 0.0011316900000000, -0.0000781100000000 ] - [ -0.0007496200000000, 0.0010596800000000, 0.0001992800000000 ] - [ 0.0014209700000000, 0.0012606200000000, -0.0001992800000000 ] - [ 0.0013233200000000, 0.0012043200000000, -0.0001500900000000 ] - [ 0.0013233700000000, 0.0012041500000000, -0.0002479600000000 ] - [ -0.0016021100000000, -0.0010991500000000, -0.0001995900000000 ] - [ -0.0015155400000000, -0.0011080400000000, -0.0001142500000000 ] - [ -0.0015153100000000, -0.0011079800000000, -0.0002844900000000 ] - [ -0.0009718800000000, -0.0008713000000000, 0.0001995500000000 ] - [ -0.0009720200000000, -0.0008710000000000, -0.0000570100000000 ] - [ -0.0007890100000000, -0.0008277400000000, 0.0000714800000000 ] - [ 0.0008484200000000, 0.0007755600000000, 0.0001998300000000 ] - [ 0.0008484500000000, 0.0007754800000000, -0.0000571100000000 ] - [ 0.0007859200000000, 0.0007310500000000, 0.0000709600000000 ] - [ -0.0002175900000000, 0.0008181600000000, -0.0000715900000000 ] - [ 0.0000171800000000, 0.0011976500000000, 0.0004185900000000 ] - [ 0.0000173700000000, 0.0011978500000000, -0.0005619400000000 ] - [ -0.0004730400000000, 0.0000566000000000, -0.0000713900000000 ] - [ -0.0003473500000000, -0.0000634500000000, -0.0009053800000000 ] - [ -0.0003471200000000, -0.0000632000000000, 0.0007635800000000 ] - [ 0.0006549200000000, 0.0001089800000000, 0.0000522600000000 ] - [ 0.0008804500000000, -0.0008239100000000, -0.0002422900000000 ] - [ 0.0008801800000000, -0.0008238700000000, 0.0003476900000000 ] - [ -0.0011907600000000, 0.0003235300000000, 0.0000524900000000 ] - [ -0.0010219500000000, 0.0000860600000000, 0.0003729600000000 ] - [ -0.0010220600000000, 0.0000860600000000, -0.0002678900000000 ] - [ 0.0017947800000000, 0.0003848500000000, 0.0000038300000000 ] - [ 0.0017949300000000, 0.0003849500000000, -0.0001090300000000 ] - [ 0.0019488100000000, 0.0004414300000000, -0.0000526300000000 ] - [ -0.0011924700000000, -0.0000806300000000, 0.0000687300000000 ] - [ -0.0011924800000000, -0.0000810900000000, -0.0001735000000000 ] - [ -0.0013485000000000, -0.0004257600000000, -0.0000528700000000 ] - [ -0.0002805300000000, -0.0000964400000000, -0.0001185800000000 ] - [ -0.0002627000000000, -0.0001470300000000, -0.0001182300000000 ] - [ -0.0002627300000000, -0.0001469900000000, -0.0001187400000000 ] - [ 0.0003921000000000, 0.0002590300000000, -0.0001180000000000 ] - [ 0.0004562000000000, 0.0000616200000000, -0.0001554700000000 ] - [ 0.0004561700000000, 0.0000615300000000, -0.0000804300000000 ] - [ 0.0023499500000000, 0.0025970000000000, -0.0032437800000000 ] - [ 0.0023509600000000, 0.0025979200000000, 0.0034805700000000 ] - [ -0.0006567600000000, -0.0000131700000000, 0.0001178900000000 ] - [ 0.0024341600000000, -0.0043001400000000, -0.0038843200000000 ] - [ 0.0024350600000000, -0.0043015200000000, 0.0041222800000000 ] - [ 0.0001514100000000, -0.0000103700000000, 0.0001184400000000 ]- atom: 61 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0002812100000000, -0.0020366200000000, 0.0003257800000000 ] - [ -0.0005168200000000, -0.0014782700000000, -0.0002358900000000 ] - [ -0.0005162400000000, -0.0014773800000000, 0.0008859300000000 ] - [ 0.0014864200000000, 0.0017267100000000, 0.0003231200000000 ] - [ 0.0011967400000000, 0.0009508700000000, 0.0001577400000000 ] - [ 0.0011967200000000, 0.0009500700000000, 0.0004913700000000 ] - [ -0.0010815400000000, 0.0023064500000000, -0.0001782500000000 ] - [ -0.0010821000000000, 0.0023070300000000, -0.0004700600000000 ] - [ -0.0012879900000000, 0.0011780100000000, -0.0003251700000000 ] - [ 0.0001951300000000, -0.0019346100000000, 0.0000077300000000 ] - [ 0.0001977000000000, -0.0019356500000000, -0.0006549000000000 ] - [ 0.0002900600000000, -0.0009726900000000, -0.0003240400000000 ] - [ 0.0002553700000000, 0.0005967000000000, 0.0001675300000000 ] - [ 0.0003984400000000, 0.0005380800000000, 0.0001321000000000 ] - [ 0.0003986400000000, 0.0005370200000000, 0.0001976400000000 ] - [ -0.0003255300000000, -0.0006349000000000, 0.0001647600000000 ] - [ -0.0003590600000000, -0.0007112400000000, 0.0000910600000000 ] - [ -0.0003597800000000, -0.0007099100000000, 0.0002406600000000 ] - [ 0.0021722100000000, -0.0007545000000000, 0.0001705300000000 ] - [ 0.0021713300000000, -0.0007533500000000, -0.0005012000000000 ] - [ 0.0013693300000000, -0.0007047000000000, -0.0001661100000000 ] - [ -0.0040529100000000, 0.0004387600000000, 0.0005019200000000 ] - [ -0.0040526200000000, 0.0004404700000000, -0.0008356400000000 ] - [ -0.0011611600000000, 0.0004684100000000, -0.0001650500000000 ] - [ -0.0058429900000000, -0.0035010900000000, 0.0030123500000000 ] - [ -0.0058451800000000, -0.0034986400000000, -0.0033814800000000 ] - [ -0.0027579200000000, 0.0003603500000000, -0.0001830600000000 ] - [ 0.0039330300000000, -0.0005998400000000, 0.0001782200000000 ] - [ 0.0039370700000000, -0.0006009700000000, -0.0005469900000000 ] - [ 0.0026009700000000, -0.0005407500000000, -0.0001850200000000 ] - [ -0.0017992900000000, -0.0003431000000000, 0.0001846400000000 ] - [ -0.0018519000000000, -0.0002387500000000, 0.0001085800000000 ] - [ -0.0018481300000000, -0.0002393600000000, 0.0002597500000000 ] - [ 0.0019641900000000, 0.0006875900000000, 0.0001846300000000 ] - [ 0.0020551500000000, 0.0005680500000000, 0.0000549200000000 ] - [ 0.0020536400000000, 0.0005697700000000, 0.0003135000000000 ] - [ 0.0000753000000000, 0.0000214200000000, -0.0001401700000000 ] - [ 0.0000749800000000, 0.0000211500000000, -0.0002929700000000 ] - [ 0.0000724300000000, 0.0000005400000000, -0.0002163500000000 ] - [ -0.0281478100000000, 0.0024856300000000, 0.0002189300000000 ] - [ -0.0005181000000000, -0.0001732900000000, 0.0017807800000000 ] - [ -0.0005179900000000, -0.0001730600000000, -0.0013473600000000 ] - [ -0.0001686200000000, 0.0000780400000000, 0.0005081300000000 ] - [ -0.0001583300000000, 0.0000330600000000, 0.0005420800000000 ] - [ -0.0001588100000000, 0.0000331700000000, 0.0004719000000000 ] - [ 0.0014281500000000, 0.0001013100000000, 0.0002525800000000 ] - [ 0.0014262600000000, 0.0001033100000000, -0.0012668800000000 ] - [ 0.0004455200000000, -0.0002514500000000, -0.0005072800000000 ] - [ 0.0004296300000000, -0.0000555900000000, -0.0000096300000000 ] - [ 0.0004297400000000, -0.0000551500000000, -0.0001203900000000 ] - [ 0.0003704800000000, 0.0000742700000000, -0.0000659200000000 ] - [ -0.0002256600000000, 0.0000028100000000, -0.0000791100000000 ] - [ -0.0002255300000000, 0.0000027600000000, -0.0000511100000000 ] - [ -0.0001229400000000, 0.0000021900000000, -0.0000660500000000 ] - [ -0.0007274000000000, 0.0002026300000000, 0.0000663200000000 ] - [ -0.0004302700000000, 0.0000020800000000, 0.0002042800000000 ] - [ -0.0004297900000000, 0.0000024600000000, -0.0000732500000000 ] - [ -0.0065440100000000, -0.0040772600000000, 0.0000656800000000 ] - [ -0.0005278000000000, 0.0000535800000000, 0.0008329300000000 ] - [ -0.0005274200000000, 0.0000539500000000, -0.0007024600000000 ] - [ 0.0568813800000000, 0.0035939800000000, -0.0000333400000000 ] - [ 0.0012353000000000, 0.0002179300000000, 0.0000335800000000 ] - [ 0.0012352600000000, 0.0002177100000000, -0.0000946200000000 ] - [ -0.0002202300000000, -0.0001189700000000, -0.0000301200000000 ] - [ -0.0009154700000000, 0.0001811200000000, -0.0003120800000000 ] - [ -0.0009153900000000, 0.0001812600000000, 0.0002512800000000 ] - [ 0.0001901900000000, 0.0000573000000000, 0.0000081200000000 ] - [ 0.0001898400000000, 0.0000573200000000, 0.0000533000000000 ] - [ 0.0001951300000000, 0.0000475000000000, 0.0000305500000000 ] - [ -0.0002285600000000, -0.0001177700000000, 0.0000120400000000 ] - [ -0.0002282700000000, -0.0001171500000000, 0.0000485700000000 ] - [ -0.0002572000000000, -0.0001046900000000, 0.0000298900000000 ] - [ -0.0014528500000000, 0.0017827800000000, -0.0022526600000000 ] - [ -0.0014569300000000, 0.0017825300000000, 0.0026523000000000 ] - [ 0.0014433000000000, -0.0011093200000000, 0.0001994700000000 ] - [ -0.0018790000000000, 0.0010989500000000, -0.0000769600000000 ] - [ -0.0018786900000000, 0.0010993600000000, 0.0004748700000000 ] - [ -0.0017973600000000, 0.0011684000000000, 0.0001987100000000 ] - [ 0.0011272900000000, 0.0009684700000000, -0.0001991800000000 ] - [ 0.0012234200000000, 0.0010244000000000, -0.0002470900000000 ] - [ 0.0012238000000000, 0.0010237300000000, -0.0001512200000000 ] - [ -0.0009474800000000, -0.0011294800000000, -0.0001994900000000 ] - [ -0.0010334900000000, -0.0011212000000000, -0.0002847500000000 ] - [ -0.0010334300000000, -0.0011204300000000, -0.0001143900000000 ] - [ -0.0000644100000000, -0.0005091200000000, -0.0000561600000000 ] - [ -0.0000645600000000, -0.0005091300000000, 0.0001990400000000 ] - [ -0.0002460500000000, -0.0005512900000000, 0.0000713000000000 ] - [ 0.0001892000000000, 0.0006037300000000, -0.0000580100000000 ] - [ 0.0001893300000000, 0.0006038400000000, 0.0002006100000000 ] - [ 0.0002523400000000, 0.0006479900000000, 0.0000710000000000 ] - [ -0.0008188400000000, 0.0005603400000000, -0.0000714700000000 ] - [ -0.0010528800000000, 0.0001832500000000, -0.0005591300000000 ] - [ -0.0010531200000000, 0.0001833500000000, 0.0004162100000000 ] - [ 0.0015080500000000, -0.0014262600000000, -0.0000710900000000 ] - [ 0.0013820100000000, -0.0013160900000000, 0.0007645700000000 ] - [ 0.0013822600000000, -0.0013158400000000, -0.0009069000000000 ] - [ 0.0020102300000000, -0.0012257300000000, 0.0000525800000000 ] - [ 0.0017776700000000, -0.0003057500000000, 0.0003310700000000 ] - [ 0.0017778500000000, -0.0003057600000000, -0.0002256000000000 ] - [ -0.0014780800000000, 0.0007953200000000, 0.0000528300000000 ] - [ -0.0016466300000000, 0.0010313500000000, -0.0002665100000000 ] - [ -0.0016465500000000, 0.0010314100000000, 0.0003713900000000 ] - [ 0.0008765900000000, 0.0007340100000000, -0.0001086800000000 ] - [ 0.0008761400000000, 0.0007339200000000, 0.0000031100000000 ] - [ 0.0007216700000000, 0.0006781100000000, -0.0000525600000000 ] - [ -0.0014751100000000, -0.0010328000000000, -0.0001734800000000 ] - [ -0.0014750900000000, -0.0010327100000000, 0.0000685700000000 ] - [ -0.0013222900000000, -0.0006935300000000, -0.0000531500000000 ] - [ -0.0004705200000000, 0.0000903900000000, -0.0001187900000000 ] - [ -0.0004877500000000, 0.0001411700000000, -0.0001189900000000 ] - [ -0.0004875100000000, 0.0001414700000000, -0.0001179100000000 ] - [ 0.0003602600000000, -0.0002540900000000, -0.0001182800000000 ] - [ 0.0002954600000000, -0.0000550800000000, -0.0000804000000000 ] - [ 0.0002954300000000, -0.0000557100000000, -0.0001552300000000 ] - [ -0.0030712000000000, -0.0025416000000000, 0.0034181900000000 ] - [ -0.0030720300000000, -0.0025426700000000, -0.0031828600000000 ] - [ -0.0000959600000000, 0.0000210000000000, 0.0001177500000000 ] - [ -0.0016681700000000, 0.0042378300000000, 0.0040635400000000 ] - [ -0.0016682000000000, 0.0042393600000000, -0.0038277200000000 ] - [ 0.0005981300000000, 0.0000050400000000, 0.0001181100000000 ]- atom: 61 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0002013400000000, -0.0011856300000000, 0.0003253800000000 ] - [ -0.0004583700000000, -0.0008678100000000, -0.0001466300000000 ] - [ -0.0004585400000000, -0.0008673800000000, 0.0007956500000000 ] - [ 0.0002641600000000, 0.0003371400000000, 0.0003226000000000 ] - [ 0.0005512800000000, 0.0006260500000000, 0.0005681000000000 ] - [ 0.0005519400000000, 0.0006247700000000, 0.0000803600000000 ] - [ -0.0025421900000000, -0.0002750500000000, 0.0002026200000000 ] - [ -0.0025422700000000, -0.0002739100000000, -0.0008506600000000 ] - [ -0.0018161100000000, 0.0006734300000000, -0.0003252100000000 ] - [ 0.0016414300000000, -0.0025509800000000, -0.0007662300000000 ] - [ 0.0016428900000000, -0.0025527600000000, 0.0001184100000000 ] - [ 0.0011816300000000, -0.0012513500000000, -0.0003246400000000 ] - [ 0.0011335000000000, -0.0012145600000000, 0.0001674100000000 ] - [ 0.0009714300000000, -0.0005139600000000, -0.0001282400000000 ] - [ 0.0009716800000000, -0.0005138600000000, 0.0004595300000000 ] - [ -0.0006389400000000, -0.0012900900000000, 0.0001658300000000 ] - [ -0.0005940400000000, -0.0012948800000000, 0.0001870100000000 ] - [ -0.0005934600000000, -0.0012942400000000, 0.0001448300000000 ] - [ -0.0001125000000000, 0.0001025000000000, -0.0001983900000000 ] - [ -0.0001125300000000, 0.0001038300000000, -0.0001321900000000 ] - [ 0.0004262800000000, 0.0001769800000000, -0.0001669000000000 ] - [ 0.0004424800000000, 0.0066708400000000, 0.0002504200000000 ] - [ 0.0004409800000000, 0.0066693600000000, -0.0005798800000000 ] - [ -0.0004988200000000, 0.0017880500000000, -0.0001661700000000 ] - [ -0.0026328000000000, 0.0120116800000000, -0.0074859000000000 ] - [ -0.0026376300000000, 0.0120127300000000, 0.0071171000000000 ] - [ -0.0014803300000000, 0.0016898100000000, -0.0001827000000000 ] - [ 0.0035385200000000, 0.0000849900000000, -0.0000321700000000 ] - [ 0.0035419300000000, 0.0000841000000000, -0.0003355100000000 ] - [ 0.0023898500000000, 0.0002797700000000, -0.0001850000000000 ] - [ -0.0023783600000000, -0.0007373300000000, 0.0001846000000000 ] - [ -0.0023999000000000, -0.0007754800000000, 0.0001850800000000 ] - [ -0.0023987700000000, -0.0007755200000000, 0.0001827900000000 ] - [ 0.0015453500000000, -0.0013245100000000, 0.0001851300000000 ] - [ 0.0021318900000000, -0.0006839700000000, 0.0004258100000000 ] - [ 0.0021309000000000, -0.0006824800000000, -0.0000574600000000 ] - [ -0.0000089100000000, -0.0007003000000000, -0.0002331100000000 ] - [ -0.0000089200000000, -0.0007004800000000, -0.0001998400000000 ] - [ -0.0000055300000000, -0.0006258100000000, -0.0002164400000000 ] - [ -0.0017851300000000, 0.0048352700000000, 0.0002165100000000 ] - [ 0.0001159700000000, 0.0026406000000000, 0.0005139600000000 ] - [ 0.0001160000000000, 0.0026406700000000, -0.0000810700000000 ] - [ 0.0001905000000000, -0.0013209800000000, 0.0005074300000000 ] - [ -0.0001598200000000, -0.0010861500000000, 0.0005070600000000 ] - [ -0.0001599500000000, -0.0010860200000000, 0.0005071200000000 ] - [ -0.0002545800000000, 0.0020909400000000, -0.0009039500000000 ] - [ -0.0002537700000000, 0.0020904000000000, -0.0001127000000000 ] - [ -0.0004849200000000, 0.0013721400000000, -0.0005079600000000 ] - [ 0.0004406900000000, 0.0008940300000000, -0.0002466800000000 ] - [ 0.0004410500000000, 0.0008937900000000, 0.0001158000000000 ] - [ 0.0003490800000000, 0.0008062900000000, -0.0000655000000000 ] - [ -0.0002718400000000, 0.0004029600000000, 0.0000041500000000 ] - [ -0.0002718500000000, 0.0004030300000000, -0.0001350100000000 ] - [ -0.0001135500000000, 0.0004069000000000, -0.0000655600000000 ] - [ 0.0000111600000000, -0.0005865900000000, 0.0000654400000000 ] - [ 0.0000938800000000, -0.0004933600000000, 0.0002627100000000 ] - [ 0.0000940400000000, -0.0004934600000000, -0.0001318300000000 ] - [ 0.0042836700000000, 0.0003714000000000, 0.0000658200000000 ] - [ 0.0010368200000000, -0.0008733200000000, -0.0010528400000000 ] - [ 0.0010371600000000, -0.0008736700000000, 0.0011846500000000 ] - [ -0.0030559500000000, -0.0563671100000000, -0.0000341100000000 ] - [ 0.0000445300000000, -0.0029470200000000, 0.0002911700000000 ] - [ 0.0000444900000000, -0.0029470200000000, -0.0003523400000000 ] - [ -0.0001328200000000, -0.0012179300000000, -0.0000303000000000 ] - [ -0.0004378400000000, -0.0009273900000000, -0.0001329100000000 ] - [ -0.0004378100000000, -0.0009275300000000, 0.0000721200000000 ] - [ 0.0003126300000000, 0.0005415500000000, 0.0000278300000000 ] - [ 0.0003127300000000, 0.0005415500000000, 0.0000334900000000 ] - [ 0.0003029200000000, 0.0005396900000000, 0.0000306900000000 ] - [ -0.0003731700000000, 0.0008219200000000, 0.0000895300000000 ] - [ -0.0003732500000000, 0.0008218600000000, -0.0000291000000000 ] - [ -0.0003604200000000, 0.0006272500000000, 0.0000301800000000 ] - [ -0.0011710400000000, -0.0017676000000000, -0.0007242200000000 ] - [ -0.0011725800000000, -0.0017676700000000, 0.0011250600000000 ] - [ 0.0010667000000000, -0.0016446900000000, 0.0001996800000000 ] - [ -0.0009801800000000, 0.0008834100000000, 0.0004382500000000 ] - [ -0.0009802800000000, 0.0008833100000000, -0.0000401500000000 ] - [ -0.0008797100000000, 0.0009708600000000, 0.0001993000000000 ] - [ 0.0017188800000000, 0.0016852500000000, -0.0001992100000000 ] - [ 0.0015974800000000, 0.0016394600000000, -0.0001432200000000 ] - [ 0.0015974400000000, 0.0016393500000000, -0.0002551800000000 ] - [ -0.0019456700000000, 0.0000863400000000, -0.0001988400000000 ] - [ -0.0013669700000000, -0.0003920900000000, -0.0003055000000000 ] - [ -0.0013670900000000, -0.0003921700000000, -0.0000930000000000 ] - [ -0.0016190200000000, 0.0005301900000000, -0.0000101600000000 ] - [ -0.0016188100000000, 0.0005298100000000, 0.0001527900000000 ] - [ -0.0007873200000000, -0.0007165500000000, 0.0000712800000000 ] - [ 0.0005568500000000, 0.0009332300000000, 0.0001375100000000 ] - [ 0.0005567100000000, 0.0009332000000000, 0.0000049600000000 ] - [ 0.0004999400000000, 0.0008327500000000, 0.0000712200000000 ] - [ -0.0001568000000000, 0.0005884200000000, -0.0000715600000000 ] - [ -0.0000441800000000, 0.0006978100000000, 0.0001716300000000 ] - [ -0.0000441000000000, 0.0006976600000000, -0.0003149000000000 ] - [ 0.0003383300000000, 0.0040019600000000, -0.0000715900000000 ] - [ -0.0002722500000000, 0.0005235000000000, -0.0016748100000000 ] - [ -0.0002723700000000, 0.0005235200000000, 0.0015329300000000 ] - [ 0.0032900000000000, 0.0036094900000000, 0.0000523100000000 ] - [ 0.0035202300000000, 0.0017251500000000, 0.0029461100000000 ] - [ 0.0035198700000000, 0.0017251000000000, -0.0028413200000000 ] - [ -0.0016730800000000, 0.0006971200000000, 0.0000525600000000 ] - [ -0.0018385500000000, 0.0009438900000000, -0.0003815000000000 ] - [ -0.0018385300000000, 0.0009438800000000, 0.0004865100000000 ] - [ 0.0012272800000000, 0.0006493000000000, -0.0000955700000000 ] - [ 0.0012274000000000, 0.0006492800000000, -0.0000096400000000 ] - [ 0.0013064900000000, 0.0005872000000000, -0.0000526400000000 ] - [ -0.0004620000000000, 0.0004752200000000, 0.0001212100000000 ] - [ -0.0004623600000000, 0.0004743000000000, -0.0002261800000000 ] - [ -0.0012216000000000, -0.0004307500000000, -0.0000525400000000 ] - [ -0.0005948700000000, 0.0005832900000000, -0.0001185200000000 ] - [ -0.0004584200000000, 0.0004726400000000, -0.0000468800000000 ] - [ -0.0004585000000000, 0.0004725400000000, -0.0001901500000000 ] - [ 0.0005674000000000, 0.0006895100000000, -0.0001180400000000 ] - [ 0.0004309900000000, 0.0004818200000000, -0.0001975000000000 ] - [ 0.0004310200000000, 0.0004819000000000, -0.0000384100000000 ] - [ 0.0029477500000000, -0.0011186300000000, -0.0012458400000000 ] - [ 0.0029478900000000, -0.0011188800000000, 0.0014815200000000 ] - [ -0.0003418900000000, -0.0007237800000000, 0.0001180300000000 ] - [ -0.0036788700000000, 0.0019510000000000, 0.0038016500000000 ] - [ -0.0036788600000000, 0.0019515200000000, -0.0035650800000000 ] - [ 0.0003560800000000, -0.0006497300000000, 0.0001184400000000 ]- atom: 61 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0019553100000000, -0.0004001200000000, 0.0003246800000000 ] - [ -0.0013031500000000, -0.0007151300000000, 0.0007920000000000 ] - [ -0.0013041400000000, -0.0007149100000000, -0.0001418100000000 ] - [ 0.0015039000000000, 0.0012404300000000, 0.0003226100000000 ] - [ 0.0012173300000000, 0.0009582300000000, 0.0000802800000000 ] - [ 0.0012172500000000, 0.0009578900000000, 0.0005679200000000 ] - [ 0.0007589300000000, 0.0018689100000000, -0.0008415900000000 ] - [ 0.0007578400000000, 0.0018696100000000, 0.0001923200000000 ] - [ 0.0000445500000000, 0.0009134300000000, -0.0003247300000000 ] - [ 0.0001082100000000, 0.0009601700000000, 0.0001257500000000 ] - [ 0.0001099200000000, 0.0009597400000000, -0.0007736800000000 ] - [ 0.0005760000000000, -0.0003310900000000, -0.0003244300000000 ] - [ 0.0001663200000000, 0.0024289500000000, 0.0001667900000000 ] - [ 0.0003244300000000, 0.0017353700000000, 0.0004570800000000 ] - [ 0.0003241300000000, 0.0017346100000000, -0.0001250900000000 ] - [ -0.0006564200000000, 0.0000626200000000, 0.0001658700000000 ] - [ -0.0007003400000000, 0.0000695200000000, 0.0001436900000000 ] - [ -0.0007005600000000, 0.0000707500000000, 0.0001881400000000 ] - [ 0.0014181800000000, -0.0013266900000000, -0.0001309400000000 ] - [ 0.0014185000000000, -0.0013257500000000, -0.0001998900000000 ] - [ 0.0008737000000000, -0.0014004300000000, -0.0001660500000000 ] - [ -0.0018580100000000, -0.0056720500000000, -0.0008192200000000 ] - [ -0.0018556100000000, -0.0056695000000000, 0.0004835500000000 ] - [ -0.0007956900000000, -0.0005698200000000, -0.0001656900000000 ] - [ -0.0017968400000000, -0.0110015500000000, 0.0067012200000000 ] - [ -0.0017973500000000, -0.0110002300000000, -0.0070700500000000 ] - [ -0.0029544000000000, -0.0010297500000000, -0.0001832800000000 ] - [ 0.0009065600000000, -0.0007477700000000, -0.0003331700000000 ] - [ 0.0009095100000000, -0.0007489100000000, -0.0000348800000000 ] - [ 0.0020461200000000, -0.0009366500000000, -0.0001850200000000 ] - [ -0.0020547600000000, 0.0000808900000000, 0.0001842400000000 ] - [ -0.0020336500000000, 0.0001183600000000, 0.0001819200000000 ] - [ -0.0020327400000000, 0.0001181000000000, 0.0001863500000000 ] - [ 0.0028944800000000, 0.0019853000000000, 0.0001849100000000 ] - [ 0.0023025800000000, 0.0013398800000000, -0.0000598800000000 ] - [ 0.0023014500000000, 0.0013416300000000, 0.0004282800000000 ] - [ 0.0000104100000000, 0.0006994200000000, -0.0001997500000000 ] - [ 0.0000102400000000, 0.0006992100000000, -0.0002332700000000 ] - [ 0.0000073100000000, 0.0006253700000000, -0.0002164400000000 ] - [ 0.0018583800000000, -0.0048067800000000, 0.0002162000000000 ] - [ -0.0001179800000000, -0.0026411900000000, -0.0000622500000000 ] - [ -0.0001178000000000, -0.0026409500000000, 0.0004951300000000 ] - [ -0.0001942400000000, 0.0013192100000000, 0.0005082800000000 ] - [ 0.0001567900000000, 0.0010835600000000, 0.0005053500000000 ] - [ 0.0001563600000000, 0.0010836800000000, 0.0005090000000000 ] - [ 0.0002568000000000, -0.0020880400000000, -0.0001141800000000 ] - [ 0.0002555900000000, -0.0020870600000000, -0.0008985100000000 ] - [ 0.0004887900000000, -0.0013755300000000, -0.0005070600000000 ] - [ -0.0000977200000000, -0.0008000500000000, 0.0001110500000000 ] - [ -0.0000979500000000, -0.0007999700000000, -0.0002417700000000 ] - [ -0.0000074700000000, -0.0007119300000000, -0.0000654800000000 ] - [ -0.0000671500000000, -0.0004957800000000, -0.0001360700000000 ] - [ -0.0000671600000000, -0.0004958800000000, 0.0000052400000000 ] - [ -0.0002257500000000, -0.0005001700000000, -0.0000654400000000 ] - [ 0.0003242600000000, 0.0004921500000000, 0.0000653800000000 ] - [ 0.0002422800000000, 0.0003989100000000, -0.0001317600000000 ] - [ 0.0002417800000000, 0.0003991900000000, 0.0002626000000000 ] - [ -0.0046188600000000, -0.0002651400000000, 0.0000650600000000 ] - [ -0.0013846000000000, 0.0009730300000000, 0.0011900600000000 ] - [ -0.0013848400000000, 0.0009731700000000, -0.0010602200000000 ] - [ 0.0038179500000000, 0.0560405600000000, -0.0000270000000000 ] - [ 0.0005667400000000, 0.0028460600000000, -0.0003554400000000 ] - [ 0.0005666400000000, 0.0028462600000000, 0.0002942200000000 ] - [ -0.0004712000000000, 0.0013078600000000, -0.0000303600000000 ] - [ -0.0001676300000000, 0.0010209200000000, 0.0000695000000000 ] - [ -0.0001676000000000, 0.0010211200000000, -0.0001300500000000 ] - [ 0.0002891400000000, -0.0004484300000000, 0.0000326900000000 ] - [ 0.0002888300000000, -0.0004482600000000, 0.0000284900000000 ] - [ 0.0002987700000000, -0.0004466600000000, 0.0000306300000000 ] - [ -0.0002296200000000, -0.0009141900000000, -0.0000308300000000 ] - [ -0.0002294300000000, -0.0009139700000000, 0.0000914000000000 ] - [ -0.0002420500000000, -0.0007192500000000, 0.0000300900000000 ] - [ 0.0037088000000000, -0.0004654700000000, 0.0011223400000000 ] - [ 0.0037101900000000, -0.0004656900000000, -0.0007253400000000 ] - [ 0.0014805800000000, -0.0005839200000000, 0.0001992800000000 ] - [ -0.0015685300000000, 0.0013455500000000, -0.0000393700000000 ] - [ -0.0015684900000000, 0.0013458600000000, 0.0004375200000000 ] - [ -0.0016722600000000, 0.0012572000000000, 0.0001989900000000 ] - [ 0.0008317900000000, 0.0005439000000000, -0.0001989900000000 ] - [ 0.0009517600000000, 0.0005895000000000, -0.0002542000000000 ] - [ 0.0009519000000000, 0.0005891400000000, -0.0001440200000000 ] - [ -0.0005944500000000, -0.0023159300000000, -0.0002002000000000 ] - [ -0.0011789100000000, -0.0018345300000000, -0.0000933900000000 ] - [ -0.0011786600000000, -0.0018342600000000, -0.0003061600000000 ] - [ 0.0005763300000000, -0.0019068600000000, 0.0001506500000000 ] - [ 0.0005762500000000, -0.0019065500000000, -0.0000076300000000 ] - [ -0.0002519900000000, -0.0006646700000000, 0.0000712800000000 ] - [ 0.0004811100000000, 0.0004483000000000, 0.0000054100000000 ] - [ 0.0004811200000000, 0.0004484200000000, 0.0001371300000000 ] - [ 0.0005372600000000, 0.0005478300000000, 0.0000711000000000 ] - [ -0.0008817700000000, 0.0007877400000000, -0.0000717600000000 ] - [ -0.0009979300000000, 0.0006761100000000, -0.0003191100000000 ] - [ -0.0009981100000000, 0.0006760500000000, 0.0001762900000000 ] - [ 0.0006993700000000, -0.0054488900000000, -0.0000706100000000 ] - [ 0.0013189700000000, -0.0019080100000000, 0.0015360100000000 ] - [ 0.0013190800000000, -0.0019079600000000, -0.0016784800000000 ] - [ -0.0005986000000000, -0.0046875100000000, 0.0000527600000000 ] - [ -0.0008318600000000, -0.0028309800000000, -0.0028291800000000 ] - [ -0.0008314100000000, -0.0028309200000000, 0.0029348800000000 ] - [ -0.0009996000000000, 0.0004252800000000, 0.0000526000000000 ] - [ -0.0008356500000000, 0.0001793900000000, 0.0004842700000000 ] - [ -0.0008357600000000, 0.0001792800000000, -0.0003792000000000 ] - [ 0.0014424700000000, 0.0004694600000000, -0.0000103800000000 ] - [ 0.0014424200000000, 0.0004696900000000, -0.0000948000000000 ] - [ 0.0013631000000000, 0.0005318400000000, -0.0000525100000000 ] - [ -0.0022132000000000, -0.0015952100000000, -0.0002255300000000 ] - [ -0.0022127400000000, -0.0015943600000000, 0.0001203400000000 ] - [ -0.0014508100000000, -0.0006890500000000, -0.0000529500000000 ] - [ -0.0001567000000000, -0.0005892100000000, -0.0001187100000000 ] - [ -0.0002928500000000, -0.0004795200000000, -0.0001893800000000 ] - [ -0.0002928400000000, -0.0004794100000000, -0.0000475600000000 ] - [ 0.0001800000000000, -0.0006820100000000, -0.0001182000000000 ] - [ 0.0003184800000000, -0.0004746900000000, -0.0000381200000000 ] - [ 0.0003184100000000, -0.0004747300000000, -0.0001976300000000 ] - [ -0.0037104700000000, 0.0010930000000000, 0.0015061400000000 ] - [ -0.0037108000000000, 0.0010931200000000, -0.0012698000000000 ] - [ -0.0004056900000000, 0.0007289800000000, 0.0001179300000000 ] - [ 0.0044282700000000, -0.0019359100000000, -0.0035616100000000 ] - [ 0.0044283300000000, -0.0019363200000000, 0.0037989400000000 ] - [ 0.0003950900000000, 0.0006424800000000, 0.0001183000000000 ]- atom: 61 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0008802700000000, -0.0007907600000000, 0.0021838400000000 ] - [ -0.0005055600000000, -0.0012122400000000, -0.0005167300000000 ] - [ -0.0012568600000000, -0.0003688800000000, -0.0005160000000000 ] - [ 0.0008860600000000, 0.0007931900000000, 0.0008311700000000 ] - [ 0.0012069600000000, 0.0009576900000000, 0.0000623300000000 ] - [ 0.0005625500000000, 0.0006263100000000, 0.0000631600000000 ] - [ -0.0005803600000000, 0.0020927000000000, 0.0003941400000000 ] - [ -0.0011876000000000, -0.0005019400000000, 0.0003944300000000 ] - [ -0.0008854500000000, 0.0007917700000000, -0.0016797700000000 ] - [ 0.0007309500000000, -0.0019868900000000, 0.0001974900000000 ] - [ 0.0010288500000000, 0.0003946800000000, 0.0001941600000000 ] - [ 0.0008797500000000, -0.0007903900000000, -0.0011561000000000 ] - [ 0.0006444000000000, 0.0006106400000000, 0.0010749000000000 ] - [ 0.0007211300000000, 0.0000521400000000, -0.0003177200000000 ] - [ 0.0005711300000000, 0.0011690500000000, -0.0003167300000000 ] - [ -0.0006466700000000, -0.0006132000000000, 0.0003472600000000 ] - [ -0.0006952000000000, -0.0004835700000000, 0.0000854900000000 ] - [ -0.0005978700000000, -0.0007408200000000, 0.0000859500000000 ] - [ 0.0016357800000000, -0.0006736100000000, 0.0003338100000000 ] - [ -0.0003335100000000, -0.0005492900000000, 0.0003323100000000 ] - [ 0.0006495200000000, -0.0006107000000000, -0.0009905700000000 ] - [ -0.0002890600000000, 0.0022368100000000, 0.0066814100000000 ] - [ -0.0011036700000000, -0.0012235900000000, 0.0068597100000000 ] - [ -0.0006440900000000, 0.0006173900000000, -0.0027331100000000 ] - [ -0.0013927900000000, -0.0058916400000000, 0.0105425400000000 ] - [ -0.0030464000000000, 0.0069557500000000, 0.0108446500000000 ] - [ -0.0022171700000000, 0.0003207900000000, -0.0038052200000000 ] - [ 0.0034754900000000, -0.0004907200000000, 0.0002627800000000 ] - [ 0.0009758500000000, -0.0001735400000000, 0.0002604900000000 ] - [ 0.0022178900000000, -0.0003290600000000, -0.0008291900000000 ] - [ -0.0022155500000000, -0.0003285800000000, 0.0003683800000000 ] - [ -0.0022831900000000, -0.0004939000000000, 0.0000910000000000 ] - [ -0.0021486400000000, -0.0001640700000000, 0.0000910600000000 ] - [ 0.0022163000000000, 0.0003296300000000, 0.0007164700000000 ] - [ 0.0022775800000000, 0.0006568500000000, -0.0001204200000000 ] - [ 0.0021552400000000, 0.0000016800000000, -0.0001184400000000 ] - [ -0.0000885900000000, -0.0000067900000000, -0.0000742800000000 ] - [ 0.0000899900000000, 0.0000063700000000, -0.0000744500000000 ] - [ 0.0000007900000000, -0.0000000200000000, -0.0004848500000000 ] - [ 0.0000151800000000, -0.0000062500000000, 0.0049318300000000 ] - [ -0.0012505200000000, 0.0002886900000000, -0.0017731800000000 ] - [ 0.0012356700000000, -0.0002851100000000, -0.0017880000000000 ] - [ -0.0000011200000000, 0.0000000800000000, 0.0007785300000000 ] - [ -0.0000099400000000, 0.0000066700000000, 0.0003590100000000 ] - [ 0.0000077600000000, -0.0000073500000000, 0.0003585200000000 ] - [ -0.0007446200000000, -0.0007067800000000, 0.0000451000000000 ] - [ 0.0007491100000000, 0.0007023600000000, 0.0000397500000000 ] - [ 0.0000022200000000, -0.0000004000000000, -0.0016203000000000 ] - [ 0.0002549800000000, -0.0000244800000000, -0.0002966800000000 ] - [ 0.0000862200000000, 0.0001177700000000, -0.0002978000000000 ] - [ 0.0001706400000000, 0.0000464900000000, 0.0005283200000000 ] - [ -0.0002733600000000, -0.0000202000000000, -0.0001479800000000 ] - [ -0.0000656600000000, -0.0000718200000000, -0.0001473500000000 ] - [ -0.0001691300000000, -0.0000462800000000, 0.0001270500000000 ] - [ 0.0001672900000000, -0.0000456400000000, -0.0006338900000000 ] - [ -0.0000804400000000, 0.0000420700000000, 0.0003908500000000 ] - [ 0.0004149900000000, -0.0001350100000000, 0.0003908800000000 ] - [ -0.0001750700000000, 0.0000467500000000, -0.0023550500000000 ] - [ -0.0011501900000000, 0.0000831000000000, 0.0012588400000000 ] - [ 0.0008046600000000, 0.0000115800000000, 0.0012566400000000 ] - [ 0.0004001900000000, -0.0002278200000000, -0.0540341700000000 ] - [ 0.0003714300000000, -0.0003725000000000, 0.0045696500000000 ] - [ 0.0002359500000000, 0.0002739800000000, 0.0045235800000000 ] - [ -0.0003007200000000, 0.0000458700000000, -0.0009470400000000 ] - [ -0.0000232700000000, -0.0000536500000000, 0.0004684000000000 ] - [ -0.0005852000000000, 0.0001486700000000, 0.0004722200000000 ] - [ 0.0002777000000000, 0.0000445100000000, -0.0000527900000000 ] - [ 0.0003230300000000, 0.0000498500000000, -0.0000525700000000 ] - [ 0.0003006400000000, 0.0000471700000000, 0.0001948600000000 ] - [ -0.0002826800000000, -0.0001069400000000, -0.0000712300000000 ] - [ -0.0003190200000000, 0.0000134500000000, -0.0000710700000000 ] - [ -0.0003010000000000, -0.0000466800000000, 0.0003193800000000 ] - [ 0.0045136100000000, -0.0022386000000000, 0.0005744900000000 ] - [ -0.0019773400000000, 0.0000117200000000, 0.0005743300000000 ] - [ 0.0012718000000000, -0.0011138900000000, 0.0007699900000000 ] - [ -0.0014621200000000, 0.0010143500000000, 0.0000340500000000 ] - [ -0.0010906100000000, 0.0012152700000000, 0.0000356800000000 ] - [ -0.0012758300000000, 0.0011150000000000, 0.0005651000000000 ] - [ 0.0012727800000000, 0.0011140400000000, -0.0004543500000000 ] - [ 0.0013441900000000, 0.0012058300000000, -0.0000696000000000 ] - [ 0.0012027000000000, 0.0010231300000000, -0.0000684600000000 ] - [ -0.0012722500000000, -0.0011142400000000, -0.0005207700000000 ] - [ -0.0011300800000000, -0.0012850500000000, -0.0000625800000000 ] - [ -0.0014150000000000, -0.0009434300000000, -0.0000614100000000 ] - [ 0.0005354700000000, -0.0020854200000000, -0.0003557800000000 ] - [ -0.0015820000000000, 0.0007139800000000, -0.0003575900000000 ] - [ -0.0005201100000000, -0.0006889100000000, 0.0005919600000000 ] - [ 0.0005049200000000, 0.0008312400000000, -0.0000220000000000 ] - [ 0.0005318200000000, 0.0005478300000000, -0.0000216300000000 ] - [ 0.0005184100000000, 0.0006896200000000, 0.0002672000000000 ] - [ -0.0005207000000000, 0.0006885500000000, -0.0006570900000000 ] - [ -0.0002261900000000, 0.0010304000000000, 0.0005099400000000 ] - [ -0.0008156700000000, 0.0003446800000000, 0.0005134200000000 ] - [ 0.0005240700000000, -0.0006893500000000, -0.0022986800000000 ] - [ 0.0012668300000000, -0.0017827700000000, 0.0015238300000000 ] - [ -0.0002231400000000, 0.0003974300000000, 0.0015247400000000 ] - [ 0.0013408900000000, -0.0005631800000000, -0.0031968700000000 ] - [ 0.0030915700000000, 0.0012823500000000, 0.0033419300000000 ] - [ -0.0004121900000000, -0.0023949600000000, 0.0033374100000000 ] - [ -0.0013366200000000, 0.0005609000000000, -0.0005104000000000 ] - [ -0.0010558300000000, 0.0002422300000000, 0.0005417900000000 ] - [ -0.0016184200000000, 0.0008803800000000, 0.0005445900000000 ] - [ 0.0014471000000000, 0.0004121900000000, -0.0002177700000000 ] - [ 0.0012216300000000, 0.0007064800000000, -0.0002170700000000 ] - [ 0.0013343500000000, 0.0005595300000000, 0.0004178300000000 ] - [ -0.0005755500000000, 0.0004476900000000, -0.0003136600000000 ] - [ -0.0020998600000000, -0.0015718600000000, -0.0003140700000000 ] - [ -0.0013357000000000, -0.0005597000000000, 0.0003623500000000 ] - [ -0.0003758300000000, -0.0000035600000000, -0.0004004300000000 ] - [ -0.0004301400000000, 0.0001090800000000, -0.0000290000000000 ] - [ -0.0003212900000000, -0.0001172000000000, -0.0000291700000000 ] - [ 0.0003746700000000, 0.0000035800000000, -0.0002877000000000 ] - [ 0.0003202900000000, -0.0000475400000000, -0.0000280200000000 ] - [ 0.0004294300000000, 0.0000557400000000, -0.0000280400000000 ] - [ -0.0047017700000000, -0.0015293600000000, 0.0014163700000000 ] - [ 0.0039560700000000, 0.0015262500000000, 0.0013866000000000 ] - [ -0.0003723100000000, 0.0000042900000000, 0.0010216300000000 ] - [ -0.0032932500000000, 0.0036807500000000, 0.0017726700000000 ] - [ 0.0040467400000000, -0.0036814900000000, 0.0017436500000000 ] - [ 0.0003770600000000, -0.0000053700000000, 0.0008609800000000 ]- atom: 61 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0008786900000000, -0.0007915500000000, -0.0015342200000000 ] - [ -0.0012548300000000, -0.0003694500000000, 0.0011658400000000 ] - [ -0.0005047100000000, -0.0012133200000000, 0.0011668300000000 ] - [ 0.0008849300000000, 0.0007940100000000, -0.0001854900000000 ] - [ 0.0005611500000000, 0.0006279400000000, 0.0005845700000000 ] - [ 0.0012054300000000, 0.0009572700000000, 0.0005857600000000 ] - [ -0.0011859700000000, -0.0005013800000000, -0.0010432300000000 ] - [ -0.0005798600000000, 0.0020938400000000, -0.0010428600000000 ] - [ -0.0008838700000000, 0.0007925900000000, 0.0010304400000000 ] - [ 0.0010252400000000, 0.0003943600000000, -0.0008417900000000 ] - [ 0.0007306600000000, -0.0019883300000000, -0.0008453900000000 ] - [ 0.0008783900000000, -0.0007912800000000, 0.0005072300000000 ] - [ 0.0006460400000000, 0.0006108500000000, -0.0007415500000000 ] - [ 0.0005720500000000, 0.0011709900000000, 0.0006478800000000 ] - [ 0.0007233100000000, 0.0000523600000000, 0.0006492800000000 ] - [ -0.0006478300000000, -0.0006138300000000, -0.0000155900000000 ] - [ -0.0005988400000000, -0.0007423800000000, 0.0002454800000000 ] - [ -0.0006967700000000, -0.0004837900000000, 0.0002465100000000 ] - [ -0.0003309500000000, -0.0005515900000000, -0.0006635700000000 ] - [ 0.0016374100000000, -0.0006731000000000, -0.0006649200000000 ] - [ 0.0006506400000000, -0.0006113700000000, 0.0006578600000000 ] - [ -0.0011064500000000, -0.0012268100000000, -0.0071957400000000 ] - [ -0.0002918600000000, 0.0022346700000000, -0.0070102200000000 ] - [ -0.0006459000000000, 0.0006185300000000, 0.0024013600000000 ] - [ -0.0030446800000000, 0.0069554800000000, -0.0112145500000000 ] - [ -0.0013953800000000, -0.0058900800000000, -0.0109101600000000 ] - [ -0.0022190000000000, 0.0003203600000000, 0.0034398500000000 ] - [ 0.0009744200000000, -0.0001721100000000, -0.0006286000000000 ] - [ 0.0034804800000000, -0.0004910800000000, -0.0006312500000000 ] - [ 0.0022199600000000, -0.0003284400000000, 0.0004599700000000 ] - [ -0.0022172900000000, -0.0003278700000000, 0.0000002100000000 ] - [ -0.0021516000000000, -0.0001634100000000, 0.0002775300000000 ] - [ -0.0022838400000000, -0.0004943100000000, 0.0002770000000000 ] - [ 0.0022177600000000, 0.0003294900000000, -0.0003464000000000 ] - [ 0.0021579100000000, -0.0000006500000000, 0.0004869200000000 ] - [ 0.0022782700000000, 0.0006580700000000, 0.0004888900000000 ] - [ 0.0000899100000000, 0.0000065200000000, -0.0003585800000000 ] - [ -0.0000888100000000, -0.0000069400000000, -0.0003586300000000 ] - [ 0.0000007600000000, 0.0000000800000000, 0.0000519100000000 ] - [ 0.0000201600000000, -0.0000064500000000, -0.0044991300000000 ] - [ 0.0012359100000000, -0.0002853400000000, 0.0022209700000000 ] - [ -0.0012503400000000, 0.0002886500000000, 0.0022059900000000 ] - [ -0.0000012600000000, 0.0000001300000000, 0.0002370000000000 ] - [ 0.0000087400000000, -0.0000074500000000, 0.0006555400000000 ] - [ -0.0000100100000000, 0.0000068800000000, 0.0006557700000000 ] - [ 0.0007490100000000, 0.0007025200000000, -0.0010565600000000 ] - [ -0.0007452400000000, -0.0007063300000000, -0.0010577600000000 ] - [ 0.0000027600000000, -0.0000015800000000, 0.0006054400000000 ] - [ 0.0000884300000000, 0.0001199500000000, 0.0001669600000000 ] - [ 0.0002570600000000, -0.0000225000000000, 0.0001656200000000 ] - [ 0.0001721300000000, 0.0000489100000000, -0.0006590000000000 ] - [ -0.0000678000000000, -0.0000741700000000, 0.0000164400000000 ] - [ -0.0002751600000000, -0.0000223300000000, 0.0000169400000000 ] - [ -0.0001708100000000, -0.0000485600000000, -0.0002578600000000 ] - [ 0.0001686600000000, -0.0000478500000000, 0.0007648000000000 ] - [ 0.0004170200000000, -0.0001372600000000, -0.0002602200000000 ] - [ -0.0000783800000000, 0.0000397900000000, -0.0002597200000000 ] - [ -0.0001761800000000, 0.0000487700000000, 0.0024856900000000 ] - [ 0.0008024300000000, 0.0000141100000000, -0.0011252600000000 ] - [ -0.0011518700000000, 0.0000855000000000, -0.0011284500000000 ] - [ 0.0003957600000000, -0.0002207800000000, 0.0539719800000000 ] - [ 0.0002373400000000, 0.0002736800000000, -0.0045846000000000 ] - [ 0.0003729100000000, -0.0003729900000000, -0.0046307000000000 ] - [ -0.0003018100000000, 0.0000460300000000, 0.0008863900000000 ] - [ -0.0005866400000000, 0.0001490200000000, -0.0005329200000000 ] - [ -0.0000248200000000, -0.0000534000000000, -0.0005290600000000 ] - [ 0.0003245100000000, 0.0000501000000000, 0.0001138900000000 ] - [ 0.0002794500000000, 0.0000449200000000, 0.0001139200000000 ] - [ 0.0003020500000000, 0.0000474100000000, -0.0001334300000000 ] - [ -0.0003202100000000, 0.0000129800000000, 0.0001314000000000 ] - [ -0.0002843400000000, -0.0001072300000000, 0.0001318000000000 ] - [ -0.0003025300000000, -0.0000470800000000, -0.0002588200000000 ] - [ -0.0019771600000000, 0.0000093200000000, -0.0001743600000000 ] - [ 0.0045134900000000, -0.0022409600000000, -0.0001767900000000 ] - [ 0.0012709900000000, -0.0011156100000000, -0.0003709700000000 ] - [ -0.0010896800000000, 0.0012171200000000, 0.0003629800000000 ] - [ -0.0014610600000000, 0.0010161800000000, 0.0003635700000000 ] - [ -0.0012749800000000, 0.0011170300000000, -0.0001669000000000 ] - [ 0.0012718000000000, 0.0011158100000000, 0.0000560900000000 ] - [ 0.0012017700000000, 0.0010250300000000, -0.0003295100000000 ] - [ 0.0013432100000000, 0.0012076900000000, -0.0003287100000000 ] - [ -0.0012713500000000, -0.0011160500000000, 0.0001216600000000 ] - [ -0.0014140600000000, -0.0009453200000000, -0.0003373800000000 ] - [ -0.0011290300000000, -0.0012869100000000, -0.0003365900000000 ] - [ -0.0015818600000000, 0.0007140300000000, 0.0005001400000000 ] - [ 0.0005354300000000, -0.0020851200000000, 0.0004987800000000 ] - [ -0.0005197400000000, -0.0006891000000000, -0.0004491100000000 ] - [ 0.0005313300000000, 0.0005478600000000, 0.0001641000000000 ] - [ 0.0005047000000000, 0.0008316200000000, 0.0001643700000000 ] - [ 0.0005180200000000, 0.0006897800000000, -0.0001247000000000 ] - [ -0.0005204700000000, 0.0006885600000000, 0.0005137400000000 ] - [ -0.0008151700000000, 0.0003446300000000, -0.0006564800000000 ] - [ -0.0002258300000000, 0.0010302800000000, -0.0006529900000000 ] - [ 0.0005242700000000, -0.0006896800000000, 0.0021561800000000 ] - [ -0.0002235600000000, 0.0003974300000000, -0.0016667200000000 ] - [ 0.0012664100000000, -0.0017824500000000, -0.0016657600000000 ] - [ 0.0013408800000000, -0.0005627400000000, 0.0033018700000000 ] - [ -0.0004127100000000, -0.0023950600000000, -0.0032322000000000 ] - [ 0.0030910700000000, 0.0012823000000000, -0.0032365800000000 ] - [ -0.0013364700000000, 0.0005606500000000, 0.0006154700000000 ] - [ -0.0016183300000000, 0.0008803600000000, -0.0004394100000000 ] - [ -0.0010557200000000, 0.0002420900000000, -0.0004367100000000 ] - [ 0.0012214900000000, 0.0007061500000000, 0.0001118500000000 ] - [ 0.0014470500000000, 0.0004120000000000, 0.0001124500000000 ] - [ 0.0013342000000000, 0.0005591400000000, -0.0005229700000000 ] - [ -0.0021000400000000, -0.0015719300000000, 0.0002086700000000 ] - [ -0.0005757700000000, 0.0004472800000000, 0.0002087200000000 ] - [ -0.0013355600000000, -0.0005593800000000, -0.0004675600000000 ] - [ -0.0003756700000000, -0.0000011900000000, 0.0001633800000000 ] - [ -0.0003211400000000, -0.0001146400000000, -0.0002078700000000 ] - [ -0.0004299100000000, 0.0001114500000000, -0.0002080500000000 ] - [ 0.0003744100000000, 0.0000011300000000, 0.0000518100000000 ] - [ 0.0004291700000000, 0.0000531300000000, -0.0002078200000000 ] - [ 0.0003199200000000, -0.0000501800000000, -0.0002079900000000 ] - [ 0.0039560200000000, 0.0015237300000000, -0.0011505400000000 ] - [ -0.0047016500000000, -0.0015322800000000, -0.0011804100000000 ] - [ -0.0003720000000000, 0.0000017800000000, -0.0007855900000000 ] - [ 0.0040458300000000, -0.0036784600000000, -0.0015068000000000 ] - [ -0.0032938700000000, 0.0036836800000000, -0.0015358200000000 ] - [ 0.0003767900000000, -0.0000025500000000, -0.0006242100000000 ]- atom: 73 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0067970400000000, -0.0049351000000000, -0.0051866800000000 ] - [ -0.0002588700000000, -0.0006859500000000, 0.0003244000000000 ] - [ 0.0067973800000000, -0.0049359000000000, 0.0058386600000000 ] - [ 0.0009049500000000, 0.0005868300000000, 0.0002302400000000 ] - [ 0.0010859900000000, 0.0006129200000000, 0.0003245800000000 ] - [ 0.0009027300000000, 0.0005849000000000, 0.0004169800000000 ] - [ -0.0027873600000000, -0.0000116000000000, -0.0003244700000000 ] - [ -0.0020455000000000, 0.0006775600000000, -0.0009155400000000 ] - [ -0.0020443500000000, 0.0006790300000000, 0.0002658500000000 ] - [ 0.0007288500000000, -0.0005404400000000, -0.0003235900000000 ] - [ 0.0007635700000000, -0.0006179500000000, -0.0003209700000000 ] - [ 0.0007614000000000, -0.0006154700000000, -0.0003273900000000 ] - [ 0.0006599400000000, -0.0004565000000000, -0.0014998700000000 ] - [ 0.0010670200000000, 0.0007612400000000, 0.0001650700000000 ] - [ 0.0006606100000000, -0.0004553200000000, 0.0018327200000000 ] - [ -0.0009518600000000, -0.0005444300000000, 0.0002367700000000 ] - [ -0.0009183200000000, -0.0005442300000000, 0.0001654900000000 ] - [ -0.0009513700000000, -0.0005422800000000, 0.0000954900000000 ] - [ -0.0025931600000000, -0.0008612300000000, -0.0001655100000000 ] - [ -0.0011922300000000, -0.0002950100000000, 0.0008424700000000 ] - [ -0.0011904300000000, -0.0002956600000000, -0.0011732400000000 ] - [ -0.0003754000000000, 0.0049165900000000, -0.0001666100000000 ] - [ 0.0004768800000000, 0.0014219800000000, -0.0006898700000000 ] - [ 0.0004780200000000, 0.0014189100000000, 0.0003587500000000 ] - [ 0.0269657600000000, 0.0058665900000000, -0.0001810700000000 ] - [ -0.0015976300000000, -0.0000706600000000, -0.0022511900000000 ] - [ -0.0015962900000000, -0.0000727400000000, 0.0018846800000000 ] - [ 0.0015535700000000, -0.0004263900000000, -0.0001836000000000 ] - [ 0.0015996700000000, -0.0004825500000000, -0.0001682000000000 ] - [ 0.0015955700000000, -0.0004784800000000, -0.0002010600000000 ] - [ -0.0030144400000000, 0.0008791600000000, 0.0008658500000000 ] - [ -0.0026519400000000, 0.0002874900000000, 0.0001839500000000 ] - [ -0.0030133700000000, 0.0008778400000000, -0.0004973000000000 ] - [ 0.0025268900000000, 0.0001965300000000, 0.0000060300000000 ] - [ 0.0024271300000000, 0.0002889600000000, 0.0001836600000000 ] - [ 0.0025260200000000, 0.0001968800000000, 0.0003635300000000 ] - [ 0.0004420200000000, 0.0003592700000000, -0.0002171900000000 ] - [ 0.0001286700000000, 0.0001974900000000, -0.0001260300000000 ] - [ 0.0001296600000000, 0.0001980300000000, -0.0003063300000000 ] - [ -0.0019325400000000, 0.0005875400000000, -0.0001913700000000 ] - [ -0.0003521900000000, 0.0000820800000000, 0.0002168300000000 ] - [ -0.0019338200000000, 0.0005872400000000, 0.0006237100000000 ] - [ -0.0003636100000000, -0.0002142400000000, 0.0003554300000000 ] - [ -0.0004007300000000, -0.0002303800000000, 0.0005067100000000 ] - [ -0.0003636000000000, -0.0002141500000000, 0.0006595100000000 ] - [ 0.0291160800000000, 0.0322651800000000, -0.0005441000000000 ] - [ 0.0012464500000000, -0.0010997500000000, 0.0007278600000000 ] - [ 0.0012478000000000, -0.0011014200000000, -0.0017444500000000 ] - [ 0.0005955400000000, 0.0004537500000000, -0.0000647800000000 ] - [ 0.0004333000000000, 0.0003266300000000, 0.0003931600000000 ] - [ 0.0004332600000000, 0.0003264700000000, -0.0005245300000000 ] - [ 0.0001291500000000, -0.0000023300000000, -0.0000653100000000 ] - [ 0.0000359400000000, -0.0000346300000000, -0.0000668500000000 ] - [ 0.0000356600000000, -0.0000343400000000, -0.0000645200000000 ] - [ 0.0074254400000000, -0.0003392600000000, -0.0066676800000000 ] - [ -0.0001956100000000, 0.0001353100000000, 0.0000649600000000 ] - [ 0.0074254700000000, -0.0003403100000000, 0.0067998100000000 ] - [ -0.0023124000000000, 0.0009110800000000, -0.0003784800000000 ] - [ -0.0005783400000000, 0.0001876000000000, 0.0000650300000000 ] - [ -0.0023145700000000, 0.0009118400000000, 0.0005108000000000 ] - [ 0.0030245100000000, -0.0025022300000000, 0.0032374300000000 ] - [ 0.0001300700000000, -0.0002556200000000, -0.0000305600000000 ] - [ 0.0030281800000000, -0.0025036000000000, -0.0032998300000000 ] - [ 0.0003090800000000, 0.0003385800000000, 0.0001562100000000 ] - [ 0.0002252000000000, 0.0004399400000000, -0.0000305000000000 ] - [ 0.0003090100000000, 0.0003385600000000, -0.0002167700000000 ] - [ 0.0004489700000000, -0.0003972900000000, 0.0000307700000000 ] - [ 0.0003512600000000, -0.0002770400000000, -0.0000395500000000 ] - [ 0.0003515200000000, -0.0002771300000000, 0.0001006100000000 ] - [ -0.0006299000000000, 0.0006342700000000, 0.0000302800000000 ] - [ -0.0005426300000000, 0.0000507600000000, 0.0001734500000000 ] - [ -0.0005427600000000, 0.0000507500000000, -0.0001132000000000 ] - [ -0.0884210100000000, -0.0374696300000000, 0.0002332600000000 ] - [ -0.0000716800000000, -0.0008564100000000, -0.0000720600000000 ] - [ -0.0000714800000000, -0.0008559800000000, 0.0004706500000000 ] - [ -0.0027645900000000, -0.0001515200000000, 0.0001972400000000 ] - [ -0.0010842000000000, 0.0015208700000000, 0.0000779900000000 ] - [ -0.0010842900000000, 0.0015204600000000, 0.0003203100000000 ] - [ 0.0019567400000000, 0.0011865600000000, -0.0001369200000000 ] - [ 0.0018071100000000, 0.0011024900000000, -0.0001991500000000 ] - [ 0.0019567100000000, 0.0011861400000000, -0.0002610500000000 ] - [ -0.0012548600000000, -0.0010497000000000, -0.0001697200000000 ] - [ -0.0013240400000000, -0.0009955500000000, -0.0001994800000000 ] - [ -0.0012549900000000, -0.0010493700000000, -0.0002290200000000 ] - [ -0.0008527300000000, 0.0099028900000000, 0.0000716000000000 ] - [ -0.0018566900000000, -0.0011334200000000, -0.0000435700000000 ] - [ -0.0018564700000000, -0.0011334900000000, 0.0001855400000000 ] - [ 0.0007126300000000, 0.0008142000000000, 0.0000716400000000 ] - [ 0.0006529100000000, 0.0008452200000000, 0.0000700200000000 ] - [ 0.0006528300000000, 0.0008452500000000, 0.0000719800000000 ] - [ 0.0004217300000000, 0.0002238800000000, -0.0000064700000000 ] - [ 0.0003070800000000, -0.0000218300000000, -0.0000717100000000 ] - [ 0.0004215300000000, 0.0002239000000000, -0.0001365600000000 ] - [ 0.0004291000000000, -0.0009384700000000, 0.0000826300000000 ] - [ 0.0004287800000000, -0.0007083000000000, -0.0000710300000000 ] - [ 0.0004292400000000, -0.0009384800000000, -0.0002249100000000 ] - [ 0.0027304700000000, 0.0014998000000000, 0.0030005600000000 ] - [ 0.0013957100000000, -0.0002985700000000, 0.0000527900000000 ] - [ 0.0027303600000000, 0.0014990800000000, -0.0028948700000000 ] - [ -0.0010954300000000, 0.0005599500000000, 0.0000935400000000 ] - [ -0.0010757500000000, 0.0005283300000000, 0.0000525600000000 ] - [ -0.0010957100000000, 0.0005601700000000, 0.0000114600000000 ] - [ 0.0036986800000000, -0.0019293500000000, -0.0000521000000000 ] - [ 0.0019955700000000, 0.0000961100000000, -0.0006453100000000 ] - [ 0.0019954000000000, 0.0000964400000000, 0.0005395600000000 ] - [ -0.0016199900000000, -0.0004661400000000, -0.0000525600000000 ] - [ -0.0016028900000000, -0.0004072200000000, -0.0000431400000000 ] - [ -0.0016026600000000, -0.0004077600000000, -0.0000624800000000 ] - [ -0.0006329800000000, -0.0010607500000000, 0.0000441100000000 ] - [ -0.0005598400000000, -0.0002366800000000, -0.0001186200000000 ] - [ -0.0006327800000000, -0.0010599900000000, -0.0002810100000000 ] - [ 0.0002619300000000, -0.0001498600000000, -0.0001261200000000 ] - [ 0.0002600600000000, -0.0000138400000000, -0.0001180800000000 ] - [ 0.0002622000000000, -0.0001499000000000, -0.0001098000000000 ] - [ 0.0039732100000000, -0.0012698300000000, 0.0001181000000000 ] - [ 0.0004112100000000, 0.0000655300000000, 0.0005514200000000 ] - [ 0.0004112900000000, 0.0000659300000000, -0.0003158900000000 ] - [ 0.0009868900000000, -0.0007226400000000, 0.0001187400000000 ] - [ 0.0009448700000000, -0.0004060600000000, 0.0004425000000000 ] - [ 0.0009447900000000, -0.0004066300000000, -0.0002061000000000 ]- atom: 73 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0085559600000000, 0.0034207500000000, 0.0059275100000000 ] - [ -0.0015119300000000, -0.0008889800000000, 0.0003237800000000 ] - [ -0.0085568900000000, 0.0034228400000000, -0.0052772800000000 ] - [ 0.0008594000000000, 0.0009841500000000, 0.0004131900000000 ] - [ 0.0006790400000000, 0.0009673400000000, 0.0003249600000000 ] - [ 0.0008557700000000, 0.0009819900000000, 0.0002340400000000 ] - [ 0.0009916400000000, 0.0015738100000000, -0.0003236900000000 ] - [ 0.0002609200000000, 0.0008967900000000, 0.0002574800000000 ] - [ 0.0002622500000000, 0.0008994600000000, -0.0009076900000000 ] - [ 0.0010385200000000, -0.0010371100000000, -0.0003229200000000 ] - [ 0.0010095900000000, -0.0009619100000000, -0.0003269300000000 ] - [ 0.0010071100000000, -0.0009590500000000, -0.0003208500000000 ] - [ 0.0006328500000000, 0.0016688100000000, 0.0018212500000000 ] - [ 0.0002327800000000, 0.0004611700000000, 0.0001638600000000 ] - [ 0.0006339600000000, 0.0016682600000000, -0.0014878000000000 ] - [ -0.0003463800000000, -0.0006827700000000, 0.0000943000000000 ] - [ -0.0003781600000000, -0.0006792600000000, 0.0001654300000000 ] - [ -0.0003465200000000, -0.0006797900000000, 0.0002369600000000 ] - [ 0.0038487200000000, -0.0003593100000000, -0.0001651700000000 ] - [ 0.0024682800000000, -0.0009265700000000, -0.0011664500000000 ] - [ 0.0024685900000000, -0.0009271900000000, 0.0008344000000000 ] - [ -0.0008821800000000, -0.0036595400000000, -0.0001673500000000 ] - [ -0.0017371400000000, -0.0001857100000000, 0.0003615200000000 ] - [ -0.0017360300000000, -0.0001899300000000, -0.0006931000000000 ] - [ -0.0300963800000000, -0.0048797300000000, -0.0001867000000000 ] - [ -0.0028139700000000, 0.0007300200000000, 0.0018527200000000 ] - [ -0.0028121400000000, 0.0007274700000000, -0.0022219800000000 ] - [ 0.0028588900000000, -0.0002276700000000, -0.0001843300000000 ] - [ 0.0028268800000000, -0.0001748100000000, -0.0002004100000000 ] - [ 0.0028220600000000, -0.0001709800000000, -0.0001692000000000 ] - [ -0.0014171700000000, -0.0015364500000000, -0.0005013900000000 ] - [ -0.0017817600000000, -0.0009407400000000, 0.0001842000000000 ] - [ -0.0014153400000000, -0.0015378500000000, 0.0008711500000000 ] - [ 0.0019050100000000, 0.0004547900000000, 0.0003612100000000 ] - [ 0.0020061700000000, 0.0003597100000000, 0.0001837100000000 ] - [ 0.0019038100000000, 0.0004552800000000, 0.0000082700000000 ] - [ -0.0004389700000000, -0.0003589900000000, -0.0002168800000000 ] - [ -0.0001283800000000, -0.0001992000000000, -0.0003063100000000 ] - [ -0.0001274900000000, -0.0001985000000000, -0.0001263100000000 ] - [ 0.0019192700000000, -0.0005763200000000, 0.0006186400000000 ] - [ 0.0003519300000000, -0.0000770500000000, 0.0002170000000000 ] - [ 0.0019197800000000, -0.0005764500000000, -0.0001864600000000 ] - [ 0.0003617600000000, 0.0002100700000000, 0.0006605000000000 ] - [ 0.0003980500000000, 0.0002248000000000, 0.0005063900000000 ] - [ 0.0003610500000000, 0.0002096900000000, 0.0003556000000000 ] - [ -0.0297963800000000, -0.0334847800000000, -0.0004681300000000 ] - [ -0.0012587000000000, 0.0011068400000000, -0.0017260200000000 ] - [ -0.0012600900000000, 0.0011088300000000, 0.0007120500000000 ] - [ -0.0002589400000000, -0.0003590300000000, -0.0000655300000000 ] - [ -0.0000958200000000, -0.0002311900000000, -0.0005176600000000 ] - [ -0.0000956700000000, -0.0002311000000000, 0.0003865800000000 ] - [ -0.0004634800000000, -0.0000863100000000, -0.0000652800000000 ] - [ -0.0003703700000000, -0.0000553300000000, -0.0000635600000000 ] - [ -0.0003705400000000, -0.0000551800000000, -0.0000672700000000 ] - [ -0.0071443700000000, 0.0002581700000000, 0.0068760200000000 ] - [ 0.0005372600000000, -0.0002263000000000, 0.0000652300000000 ] - [ -0.0071449900000000, 0.0002594600000000, -0.0067461000000000 ] - [ 0.0019560300000000, -0.0007756600000000, 0.0004642800000000 ] - [ 0.0002388200000000, -0.0000957100000000, 0.0000653000000000 ] - [ 0.0019586200000000, -0.0007764500000000, -0.0003345900000000 ] - [ -0.0023974800000000, 0.0023762300000000, -0.0032523200000000 ] - [ 0.0004665700000000, 0.0001571600000000, -0.0000308200000000 ] - [ -0.0024016300000000, 0.0023779300000000, 0.0031924000000000 ] - [ -0.0009035600000000, -0.0002478900000000, -0.0002152400000000 ] - [ -0.0008226300000000, -0.0003511400000000, -0.0000304000000000 ] - [ -0.0009027400000000, -0.0002479100000000, 0.0001545800000000 ] - [ 0.0001548000000000, 0.0004905300000000, 0.0000305400000000 ] - [ 0.0002507600000000, 0.0003695400000000, 0.0001023200000000 ] - [ 0.0002512800000000, 0.0003696000000000, -0.0000410000000000 ] - [ 0.0000237000000000, -0.0007181600000000, 0.0000302900000000 ] - [ -0.0000610300000000, -0.0001390000000000, -0.0001113900000000 ] - [ -0.0000613000000000, -0.0001390100000000, 0.0001717100000000 ] - [ 0.0904168400000000, 0.0357662600000000, 0.0001645000000000 ] - [ 0.0026096100000000, -0.0013720500000000, 0.0004580000000000 ] - [ 0.0026094000000000, -0.0013723200000000, -0.0000592000000000 ] - [ 0.0002371700000000, 0.0023895300000000, 0.0002013900000000 ] - [ -0.0014593500000000, 0.0007055000000000, 0.0003167600000000 ] - [ -0.0014594200000000, 0.0007053900000000, 0.0000808100000000 ] - [ 0.0005987600000000, 0.0010423300000000, -0.0002603600000000 ] - [ 0.0007473100000000, 0.0011249400000000, -0.0001993900000000 ] - [ 0.0005987000000000, 0.0010418800000000, -0.0001380300000000 ] - [ -0.0012957700000000, -0.0011728600000000, -0.0002291000000000 ] - [ -0.0012287500000000, -0.0012259500000000, -0.0001996400000000 ] - [ -0.0012959300000000, -0.0011725100000000, -0.0001701400000000 ] - [ -0.0002319100000000, -0.0111853400000000, 0.0000715900000000 ] - [ 0.0008054600000000, -0.0002535500000000, 0.0001842900000000 ] - [ 0.0008055500000000, -0.0002533100000000, -0.0000412400000000 ] - [ 0.0003313200000000, 0.0005693500000000, 0.0000712300000000 ] - [ 0.0003898100000000, 0.0005372200000000, 0.0000717400000000 ] - [ 0.0003897000000000, 0.0005369400000000, 0.0000705700000000 ] - [ -0.0014535100000000, 0.0011556100000000, -0.0001354500000000 ] - [ -0.0013395400000000, 0.0014047000000000, -0.0000714100000000 ] - [ -0.0014537000000000, 0.0011558000000000, -0.0000075600000000 ] - [ 0.0006065500000000, -0.0004426900000000, -0.0002230300000000 ] - [ 0.0006071600000000, -0.0006709900000000, -0.0000709500000000 ] - [ 0.0006065200000000, -0.0004427400000000, 0.0000807000000000 ] - [ -0.0000437200000000, -0.0025891400000000, -0.0028493800000000 ] - [ 0.0012743300000000, -0.0008181100000000, 0.0000526400000000 ] - [ -0.0000434800000000, -0.0025888200000000, 0.0029536000000000 ] - [ -0.0015747300000000, 0.0005586600000000, 0.0000120800000000 ] - [ -0.0015944200000000, 0.0005900900000000, 0.0000524600000000 ] - [ -0.0015747200000000, 0.0005585200000000, 0.0000930800000000 ] - [ -0.0010420900000000, 0.0030708300000000, -0.0000526500000000 ] - [ 0.0006988900000000, 0.0010176900000000, 0.0005261500000000 ] - [ 0.0006986900000000, 0.0010176600000000, -0.0006315000000000 ] - [ -0.0010559200000000, -0.0006494400000000, -0.0000526000000000 ] - [ -0.0010733900000000, -0.0007030500000000, -0.0000679500000000 ] - [ -0.0010732100000000, -0.0007026600000000, -0.0000370500000000 ] - [ -0.0001177100000000, 0.0010426900000000, -0.0002772000000000 ] - [ -0.0001898300000000, 0.0002256100000000, -0.0001183700000000 ] - [ -0.0001177400000000, 0.0010425400000000, 0.0000399000000000 ] - [ 0.0004868100000000, 0.0001614000000000, -0.0001103100000000 ] - [ 0.0004901200000000, 0.0000253200000000, -0.0001179100000000 ] - [ 0.0004868500000000, 0.0001609900000000, -0.0001257200000000 ] - [ -0.0046735000000000, 0.0012597800000000, 0.0001184700000000 ] - [ -0.0011573700000000, -0.0000579800000000, -0.0003101000000000 ] - [ -0.0011570300000000, -0.0000576000000000, 0.0005459900000000 ] - [ -0.0002335600000000, 0.0007030900000000, 0.0001187400000000 ] - [ -0.0001921100000000, 0.0003905900000000, -0.0002033500000000 ] - [ -0.0001925200000000, 0.0003906800000000, 0.0004400600000000 ]- atom: 73 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0051417400000000, 0.0134970400000000, 0.0099056300000000 ] - [ -0.0010372200000000, -0.0001152000000000, 0.0003238200000000 ] - [ -0.0051424300000000, 0.0135006600000000, -0.0092592800000000 ] - [ -0.0002401900000000, -0.0002802200000000, -0.0001445700000000 ] - [ 0.0006494100000000, 0.0004517700000000, 0.0003250100000000 ] - [ -0.0002429200000000, -0.0002818400000000, 0.0007917200000000 ] - [ -0.0012013500000000, 0.0008745700000000, -0.0003240700000000 ] - [ -0.0009780300000000, 0.0010751300000000, -0.0004686400000000 ] - [ -0.0009771900000000, 0.0010775100000000, -0.0001811000000000 ] - [ 0.0010555700000000, -0.0012686700000000, -0.0003234600000000 ] - [ 0.0010398300000000, -0.0012373300000000, -0.0003226900000000 ] - [ 0.0010375600000000, -0.0012352400000000, -0.0003253400000000 ] - [ -0.0003135800000000, -0.0007948800000000, -0.0011603400000000 ] - [ 0.0004021100000000, 0.0000229700000000, 0.0001642400000000 ] - [ -0.0003125200000000, -0.0007938400000000, 0.0014920800000000 ] - [ -0.0006123600000000, -0.0011647700000000, 0.0000824800000000 ] - [ -0.0006406900000000, -0.0011329700000000, 0.0001652700000000 ] - [ -0.0006119800000000, -0.0011626800000000, 0.0002489500000000 ] - [ 0.0001539200000000, 0.0003500100000000, -0.0001651500000000 ] - [ 0.0003267800000000, 0.0001935100000000, 0.0001552200000000 ] - [ 0.0003278900000000, 0.0001928900000000, -0.0004859900000000 ] - [ 0.0020541800000000, -0.0034679000000000, -0.0001670500000000 ] - [ 0.0006343600000000, 0.0005643100000000, 0.0011291600000000 ] - [ 0.0006354900000000, 0.0005614500000000, -0.0014594400000000 ] - [ 0.0071736800000000, 0.0069011700000000, -0.0001840600000000 ] - [ -0.0027274600000000, 0.0016919800000000, -0.0000728600000000 ] - [ -0.0027260100000000, 0.0016893300000000, -0.0002947100000000 ] - [ 0.0024410600000000, -0.0003587600000000, -0.0001840200000000 ] - [ 0.0022039600000000, -0.0004042100000000, -0.0002734900000000 ] - [ 0.0022000600000000, -0.0004015000000000, -0.0000959400000000 ] - [ -0.0015573400000000, -0.0011108000000000, -0.0002541100000000 ] - [ -0.0019561200000000, -0.0008902300000000, 0.0001837500000000 ] - [ -0.0015559200000000, -0.0011123300000000, 0.0006231900000000 ] - [ 0.0023467200000000, -0.0007440300000000, -0.0000732000000000 ] - [ 0.0024109900000000, -0.0006229900000000, 0.0001839400000000 ] - [ 0.0023457200000000, -0.0007439700000000, 0.0004419600000000 ] - [ 0.0002693100000000, -0.0009589200000000, -0.0002167200000000 ] - [ 0.0000361100000000, -0.0007319300000000, -0.0004697700000000 ] - [ 0.0000367400000000, -0.0007318400000000, 0.0000370300000000 ] - [ 0.0010324400000000, 0.0003451600000000, -0.0001655700000000 ] - [ 0.0000391500000000, 0.0003018400000000, 0.0002166900000000 ] - [ 0.0010315300000000, 0.0003450800000000, 0.0005979000000000 ] - [ -0.0000946100000000, -0.0005247200000000, 0.0003577200000000 ] - [ -0.0000954900000000, -0.0005070400000000, 0.0005067700000000 ] - [ -0.0000947200000000, -0.0005245200000000, 0.0006568500000000 ] - [ 0.0321373300000000, 0.0365698300000000, -0.0005515900000000 ] - [ -0.0005655800000000, 0.0011768800000000, 0.0008768400000000 ] - [ -0.0005669900000000, 0.0011780600000000, -0.0018943500000000 ] - [ 0.0007766400000000, 0.0004715600000000, -0.0000645500000000 ] - [ 0.0005750800000000, 0.0003176300000000, 0.0001546600000000 ] - [ 0.0005755400000000, 0.0003174200000000, -0.0002851400000000 ] - [ -0.0001510600000000, 0.0002074900000000, -0.0000656400000000 ] - [ -0.0001795400000000, 0.0001815500000000, -0.0000334800000000 ] - [ -0.0001797800000000, 0.0001813900000000, -0.0000971900000000 ] - [ 0.0028650800000000, -0.0016878600000000, -0.0023735700000000 ] - [ 0.0001062300000000, -0.0003636300000000, 0.0000651400000000 ] - [ 0.0028658600000000, -0.0016894300000000, 0.0025053400000000 ] - [ -0.0003499000000000, 0.0042183400000000, -0.0048053200000000 ] - [ 0.0000276400000000, -0.0002757700000000, 0.0000654200000000 ] - [ -0.0003508600000000, 0.0042196000000000, 0.0049390900000000 ] - [ -0.0025754800000000, -0.0006823300000000, -0.0011518300000000 ] - [ 0.0002906600000000, -0.0005700200000000, -0.0000306800000000 ] - [ -0.0025764000000000, -0.0006819300000000, 0.0010911500000000 ] - [ -0.0002804600000000, -0.0001861200000000, 0.0000691300000000 ] - [ -0.0003511500000000, -0.0000993800000000, -0.0000304000000000 ] - [ -0.0002797200000000, -0.0001863700000000, -0.0001297200000000 ] - [ 0.0001507500000000, 0.0006120300000000, 0.0000304400000000 ] - [ 0.0002063300000000, 0.0005671700000000, 0.0001210400000000 ] - [ 0.0002064600000000, 0.0005669900000000, -0.0000596100000000 ] - [ -0.0003114800000000, 0.0011554100000000, 0.0000303800000000 ] - [ -0.0003020500000000, 0.0006759400000000, 0.0002003800000000 ] - [ -0.0003018600000000, 0.0006761400000000, -0.0001399200000000 ] - [ -0.0344933100000000, -0.0868484000000000, 0.0002477000000000 ] - [ 0.0015371800000000, -0.0025807900000000, 0.0003823400000000 ] - [ 0.0015377600000000, -0.0025806400000000, 0.0000170500000000 ] - [ -0.0025414900000000, -0.0009072000000000, 0.0001973500000000 ] - [ -0.0008711100000000, 0.0012246100000000, 0.0000229200000000 ] - [ -0.0008713700000000, 0.0012243700000000, 0.0003756300000000 ] - [ 0.0012052400000000, 0.0011589300000000, -0.0001120300000000 ] - [ 0.0012880400000000, 0.0011743300000000, -0.0001985700000000 ] - [ 0.0012051600000000, 0.0011584000000000, -0.0002869800000000 ] - [ -0.0013388600000000, -0.0007693800000000, -0.0001463100000000 ] - [ -0.0013928900000000, -0.0007725600000000, -0.0001990600000000 ] - [ -0.0013386500000000, -0.0007693200000000, -0.0002528200000000 ] - [ 0.0048880000000000, 0.0129172800000000, 0.0000705700000000 ] - [ 0.0003657300000000, -0.0005853200000000, 0.0011748400000000 ] - [ 0.0003660200000000, -0.0005855800000000, -0.0010320000000000 ] - [ 0.0007020400000000, 0.0008630800000000, 0.0000715000000000 ] - [ 0.0006648700000000, 0.0010334700000000, 0.0000559200000000 ] - [ 0.0006644800000000, 0.0010335700000000, 0.0000863000000000 ] - [ -0.0005199500000000, 0.0002926300000000, 0.0000122900000000 ] - [ -0.0006357300000000, 0.0002289700000000, -0.0000712200000000 ] - [ -0.0005199000000000, 0.0002931100000000, -0.0001558900000000 ] - [ 0.0001451100000000, -0.0000377300000000, -0.0002796100000000 ] - [ 0.0002655400000000, -0.0002391200000000, -0.0000707300000000 ] - [ 0.0001449600000000, -0.0000379000000000, 0.0001369700000000 ] - [ 0.0017522900000000, -0.0005897700000000, 0.0003247500000000 ] - [ 0.0014427400000000, -0.0008172900000000, 0.0000531600000000 ] - [ 0.0017522400000000, -0.0005899700000000, -0.0002198000000000 ] - [ -0.0013802600000000, 0.0006884600000000, 0.0000949100000000 ] - [ -0.0014029500000000, 0.0007351500000000, 0.0000526500000000 ] - [ -0.0013804400000000, 0.0006883500000000, 0.0000100800000000 ] - [ -0.0007840400000000, 0.0016663800000000, -0.0000528200000000 ] - [ -0.0004749700000000, 0.0005343600000000, 0.0013213900000000 ] - [ -0.0004758800000000, 0.0005345900000000, -0.0014264400000000 ] - [ -0.0014022100000000, 0.0000751600000000, -0.0000525900000000 ] - [ -0.0015440700000000, 0.0005047800000000, -0.0004060400000000 ] - [ -0.0015435700000000, 0.0005041000000000, 0.0003005400000000 ] - [ -0.0004819700000000, 0.0011304600000000, -0.0002276900000000 ] - [ -0.0004139500000000, 0.0003415300000000, -0.0001183500000000 ] - [ -0.0004820100000000, 0.0011302000000000, -0.0000094000000000 ] - [ 0.0003513200000000, 0.0006598600000000, -0.0000769500000000 ] - [ 0.0004530400000000, 0.0005053100000000, -0.0001180000000000 ] - [ 0.0003515500000000, 0.0006602700000000, -0.0001590100000000 ] - [ 0.0009721100000000, -0.0008725100000000, 0.0001181300000000 ] - [ -0.0004783800000000, -0.0005162700000000, -0.0000467000000000 ] - [ -0.0004782100000000, -0.0005154000000000, 0.0002826000000000 ] - [ 0.0000647300000000, 0.0001107200000000, 0.0001189200000000 ] - [ 0.0000201500000000, 0.0001699600000000, -0.0000867500000000 ] - [ 0.0000198600000000, 0.0001690700000000, 0.0003234100000000 ]- atom: 73 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0031834900000000, -0.0148220600000000, -0.0088654100000000 ] - [ -0.0007341200000000, -0.0014589000000000, 0.0003248700000000 ] - [ 0.0031833700000000, -0.0148249100000000, 0.0095194300000000 ] - [ 0.0020208800000000, 0.0018697900000000, 0.0007920300000000 ] - [ 0.0011199200000000, 0.0011279800000000, 0.0003236400000000 ] - [ 0.0020212500000000, 0.0018697900000000, -0.0001456100000000 ] - [ -0.0005576700000000, 0.0007041000000000, -0.0003245800000000 ] - [ -0.0007836200000000, 0.0004992200000000, -0.0001745700000000 ] - [ -0.0007828700000000, 0.0004992700000000, -0.0004744000000000 ] - [ 0.0007067000000000, -0.0003059800000000, -0.0003227900000000 ] - [ 0.0007256200000000, -0.0003377300000000, -0.0003259200000000 ] - [ 0.0007243100000000, -0.0003368500000000, -0.0003227900000000 ] - [ 0.0016107800000000, 0.0020274500000000, 0.0015034500000000 ] - [ 0.0008947000000000, 0.0012009300000000, 0.0001673100000000 ] - [ 0.0016108500000000, 0.0020263000000000, -0.0011698000000000 ] - [ -0.0006854300000000, -0.0000539900000000, 0.0002482900000000 ] - [ -0.0006565900000000, -0.0000834200000000, 0.0001660900000000 ] - [ -0.0006855300000000, -0.0000527600000000, 0.0000835300000000 ] - [ 0.0011467100000000, -0.0015775900000000, -0.0001659100000000 ] - [ 0.0009720500000000, -0.0014173100000000, -0.0004842300000000 ] - [ 0.0009747500000000, -0.0014171100000000, 0.0001520800000000 ] - [ -0.0033882800000000, 0.0047350000000000, -0.0001659100000000 ] - [ -0.0019457200000000, 0.0006549300000000, -0.0014707000000000 ] - [ -0.0019454300000000, 0.0006507200000000, 0.0011366200000000 ] - [ -0.0116275900000000, -0.0063208300000000, -0.0001839200000000 ] - [ -0.0017072600000000, -0.0010375800000000, -0.0002871700000000 ] - [ -0.0017041100000000, -0.0010385000000000, -0.0000798400000000 ] - [ 0.0019969000000000, -0.0003059600000000, -0.0001836000000000 ] - [ 0.0022379600000000, -0.0002618400000000, -0.0000939400000000 ] - [ 0.0022345800000000, -0.0002583800000000, -0.0002749200000000 ] - [ -0.0028793500000000, 0.0004502100000000, 0.0006295100000000 ] - [ -0.0024808100000000, 0.0002247700000000, 0.0001848800000000 ] - [ -0.0028794900000000, 0.0004489400000000, -0.0002615200000000 ] - [ 0.0020863200000000, 0.0014139500000000, 0.0004436300000000 ] - [ 0.0020218000000000, 0.0012920300000000, 0.0001831000000000 ] - [ 0.0020858000000000, 0.0014154100000000, -0.0000733300000000 ] - [ -0.0002690800000000, 0.0009668300000000, -0.0002166000000000 ] - [ -0.0000354600000000, 0.0007374600000000, 0.0000398700000000 ] - [ -0.0000360900000000, 0.0007374600000000, -0.0004727800000000 ] - [ -0.0010299300000000, -0.0003495800000000, 0.0006038700000000 ] - [ -0.0000385800000000, -0.0003044300000000, 0.0002164300000000 ] - [ -0.0010299300000000, -0.0003493100000000, -0.0001712100000000 ] - [ 0.0000953300000000, 0.0005296200000000, 0.0006572800000000 ] - [ 0.0000972200000000, 0.0005113400000000, 0.0005076000000000 ] - [ 0.0000948700000000, 0.0005294600000000, 0.0003579800000000 ] - [ -0.0334795400000000, -0.0376307000000000, -0.0004614700000000 ] - [ 0.0005685000000000, -0.0011899000000000, -0.0019026900000000 ] - [ 0.0005703800000000, -0.0011900400000000, 0.0008911100000000 ] - [ -0.0004463300000000, -0.0003924100000000, -0.0000658100000000 ] - [ -0.0002458900000000, -0.0002383200000000, -0.0002881300000000 ] - [ -0.0002459400000000, -0.0002379800000000, 0.0001565800000000 ] - [ -0.0001800900000000, -0.0002906200000000, -0.0000654100000000 ] - [ -0.0001514500000000, -0.0002643900000000, -0.0000972200000000 ] - [ -0.0001517700000000, -0.0002648000000000, -0.0000337400000000 ] - [ -0.0025688300000000, 0.0016270100000000, 0.0025274000000000 ] - [ 0.0002278100000000, 0.0002852400000000, 0.0000651100000000 ] - [ -0.0025696700000000, 0.0016286600000000, -0.0023974100000000 ] - [ 0.0000373400000000, -0.0042136900000000, 0.0050330300000000 ] - [ -0.0003600500000000, 0.0003616500000000, 0.0000649500000000 ] - [ 0.0000390100000000, -0.0042141700000000, -0.0049049900000000 ] - [ 0.0031880900000000, 0.0006149200000000, 0.0010981400000000 ] - [ 0.0003050900000000, 0.0004851700000000, -0.0000310100000000 ] - [ 0.0031878000000000, 0.0006150800000000, -0.0011596700000000 ] - [ -0.0003171100000000, 0.0002817300000000, -0.0001317100000000 ] - [ -0.0002462400000000, 0.0001925800000000, -0.0000303500000000 ] - [ -0.0003165400000000, 0.0002813500000000, 0.0000709100000000 ] - [ 0.0004468300000000, -0.0005240100000000, 0.0000306900000000 ] - [ 0.0003903100000000, -0.0004776000000000, -0.0000616400000000 ] - [ 0.0003911600000000, -0.0004776800000000, 0.0001227200000000 ] - [ -0.0002855100000000, -0.0012521700000000, 0.0000303600000000 ] - [ -0.0002936300000000, -0.0007722700000000, -0.0001411800000000 ] - [ -0.0002937900000000, -0.0007719300000000, 0.0002018600000000 ] - [ 0.0387337500000000, 0.0850692000000000, 0.0001490300000000 ] - [ 0.0010191700000000, 0.0003691400000000, 0.0000075600000000 ] - [ 0.0010194000000000, 0.0003687000000000, 0.0003913300000000 ] - [ 0.0000012400000000, 0.0031547500000000, 0.0002009700000000 ] - [ -0.0016844000000000, 0.0009931900000000, 0.0003763800000000 ] - [ -0.0016849200000000, 0.0009929100000000, 0.0000214100000000 ] - [ 0.0013463500000000, 0.0010581400000000, -0.0002872700000000 ] - [ 0.0012622300000000, 0.0010442100000000, -0.0001988700000000 ] - [ 0.0013463800000000, 0.0010574200000000, -0.0001113300000000 ] - [ -0.0012128400000000, -0.0014513700000000, -0.0002535300000000 ] - [ -0.0011589600000000, -0.0014483700000000, -0.0001994800000000 ] - [ -0.0012133400000000, -0.0014512500000000, -0.0001463600000000 ] - [ -0.0058357200000000, -0.0140747500000000, 0.0000723900000000 ] - [ -0.0013992500000000, -0.0007960900000000, -0.0010366600000000 ] - [ -0.0013995900000000, -0.0007957000000000, 0.0011791200000000 ] - [ 0.0003306400000000, 0.0005113700000000, 0.0000712900000000 ] - [ 0.0003687700000000, 0.0003445600000000, 0.0000866300000000 ] - [ 0.0003684600000000, 0.0003445900000000, 0.0000556700000000 ] - [ -0.0005165500000000, 0.0010916400000000, -0.0001587200000000 ] - [ -0.0004019100000000, 0.0011554800000000, -0.0000715500000000 ] - [ -0.0005170500000000, 0.0010916800000000, 0.0000158200000000 ] - [ 0.0008948300000000, -0.0013484500000000, 0.0001410300000000 ] - [ 0.0007715800000000, -0.0011452000000000, -0.0000707800000000 ] - [ 0.0008942500000000, -0.0013484600000000, -0.0002835200000000 ] - [ 0.0009027100000000, -0.0005388700000000, -0.0002455100000000 ] - [ 0.0012238900000000, -0.0002993300000000, 0.0000526500000000 ] - [ 0.0009025300000000, -0.0005387400000000, 0.0003499700000000 ] - [ -0.0012874300000000, 0.0004281500000000, 0.0000103000000000 ] - [ -0.0012642400000000, 0.0003815500000000, 0.0000525900000000 ] - [ -0.0012873000000000, 0.0004280800000000, 0.0000946100000000 ] - [ 0.0034660400000000, -0.0005509000000000, -0.0000523700000000 ] - [ 0.0031372500000000, 0.0005858200000000, -0.0014230400000000 ] - [ 0.0031375400000000, 0.0005863700000000, 0.0013176300000000 ] - [ -0.0012655000000000, -0.0011977000000000, -0.0000528500000000 ] - [ -0.0011230700000000, -0.0016298100000000, 0.0003065400000000 ] - [ -0.0011225600000000, -0.0016290100000000, -0.0004115500000000 ] - [ -0.0002633600000000, -0.0011618700000000, -0.0000121100000000 ] - [ -0.0003331900000000, -0.0003603300000000, -0.0001181400000000 ] - [ -0.0002635600000000, -0.0011621300000000, -0.0002252500000000 ] - [ 0.0003965600000000, -0.0006495600000000, -0.0001589200000000 ] - [ 0.0002959900000000, -0.0004919600000000, -0.0001178100000000 ] - [ 0.0003973100000000, -0.0006496700000000, -0.0000773200000000 ] - [ -0.0017478200000000, 0.0009015000000000, 0.0001179500000000 ] - [ -0.0002713100000000, 0.0005375600000000, 0.0002825300000000 ] - [ -0.0002712500000000, 0.0005379100000000, -0.0000464300000000 ] - [ 0.0006833400000000, -0.0001220800000000, 0.0001188600000000 ] - [ 0.0007306700000000, -0.0001853100000000, 0.0003234500000000 ] - [ 0.0007310700000000, -0.0001856800000000, -0.0000868100000000 ]- atom: 73 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0066146600000000, 0.0089972600000000, 0.0147403900000000 ] - [ -0.0008806400000000, -0.0007961400000000, -0.0021789000000000 ] - [ 0.0046313200000000, -0.0101959700000000, 0.0144479400000000 ] - [ 0.0014882600000000, 0.0012752800000000, 0.0007270900000000 ] - [ 0.0008823200000000, 0.0007915600000000, -0.0001474600000000 ] - [ 0.0002715600000000, 0.0002999300000000, 0.0007273200000000 ] - [ -0.0008817900000000, 0.0007936000000000, -0.0000137800000000 ] - [ -0.0008902700000000, 0.0006401500000000, -0.0004894700000000 ] - [ -0.0008744000000000, 0.0009453300000000, -0.0004894400000000 ] - [ 0.0008811200000000, -0.0007941900000000, -0.0001849400000000 ] - [ 0.0008830100000000, -0.0006721500000000, -0.0003931700000000 ] - [ 0.0008806100000000, -0.0009151700000000, -0.0003938700000000 ] - [ 0.0002626100000000, 0.0003120100000000, 0.0006770200000000 ] - [ 0.0006480300000000, 0.0006089400000000, -0.0006930100000000 ] - [ 0.0010270900000000, 0.0008974800000000, 0.0006882400000000 ] - [ -0.0005586400000000, -0.0005913100000000, 0.0002768800000000 ] - [ -0.0006494500000000, -0.0006128600000000, -0.0000353700000000 ] - [ -0.0007399200000000, -0.0006352000000000, 0.0002770800000000 ] - [ 0.0006503200000000, -0.0006080100000000, 0.0021615000000000 ] - [ 0.0014609600000000, -0.0007904800000000, -0.0011734500000000 ] - [ -0.0001655000000000, -0.0004278100000000, -0.0011769200000000 ] - [ -0.0006396700000000, 0.0005996500000000, 0.0017258000000000 ] - [ -0.0013059900000000, 0.0010896400000000, -0.0011951600000000 ] - [ 0.0000150400000000, 0.0001319200000000, -0.0012044800000000 ] - [ -0.0022694700000000, 0.0003414000000000, 0.0017661300000000 ] - [ -0.0036966400000000, 0.0001089000000000, -0.0011782300000000 ] - [ -0.0007518200000000, 0.0005572500000000, -0.0011815300000000 ] - [ 0.0022170100000000, -0.0003286600000000, 0.0000937300000000 ] - [ 0.0022637300000000, -0.0001858100000000, -0.0003084300000000 ] - [ 0.0021732800000000, -0.0004705000000000, -0.0003085900000000 ] - [ -0.0017361000000000, -0.0007236900000000, 0.0005198900000000 ] - [ -0.0022170500000000, -0.0003291500000000, -0.0007843900000000 ] - [ -0.0026926700000000, 0.0000619900000000, 0.0005231400000000 ] - [ 0.0020951900000000, 0.0003892800000000, 0.0003844400000000 ] - [ 0.0022191400000000, 0.0003240900000000, -0.0001860000000000 ] - [ 0.0023405100000000, 0.0002592100000000, 0.0003853800000000 ] - [ 0.0000012000000000, -0.0000040500000000, 0.0009183300000000 ] - [ 0.0000713300000000, -0.0001689300000000, -0.0006869100000000 ] - [ -0.0000698800000000, 0.0001632500000000, -0.0006827500000000 ] - [ -0.0007534700000000, -0.0000150600000000, 0.0005242900000000 ] - [ -0.0000001300000000, 0.0000008000000000, -0.0001917500000000 ] - [ 0.0007617500000000, 0.0000145300000000, 0.0005228200000000 ] - [ 0.0000100600000000, -0.0000212300000000, 0.0005775600000000 ] - [ -0.0000001900000000, -0.0000014100000000, 0.0003753700000000 ] - [ -0.0000108600000000, 0.0000183700000000, 0.0005782500000000 ] - [ 0.0000286600000000, 0.0000469100000000, -0.0001274500000000 ] - [ 0.0005599800000000, 0.0009197200000000, -0.0021760500000000 ] - [ -0.0005582900000000, -0.0009088100000000, -0.0021881000000000 ] - [ 0.0001735100000000, 0.0000487400000000, -0.0002735300000000 ] - [ 0.0002337100000000, 0.0000895300000000, -0.0000020100000000 ] - [ 0.0001116000000000, 0.0000073500000000, -0.0000031300000000 ] - [ -0.0001704800000000, -0.0000464200000000, -0.0001465300000000 ] - [ -0.0001663400000000, -0.0000341400000000, -0.0000278900000000 ] - [ -0.0001746300000000, -0.0000592600000000, -0.0000280700000000 ] - [ -0.0056570000000000, -0.0000280600000000, 0.0026549200000000 ] - [ 0.0001691300000000, -0.0000483100000000, 0.0010439400000000 ] - [ 0.0059785700000000, -0.0000766800000000, 0.0026670700000000 ] - [ 0.0004049200000000, -0.0033213600000000, 0.0020181800000000 ] - [ -0.0001696500000000, 0.0000457400000000, 0.0009071200000000 ] - [ -0.0007524800000000, 0.0034150400000000, 0.0020442000000000 ] - [ 0.0027398400000000, -0.0009747800000000, 0.0003406500000000 ] - [ 0.0003021100000000, -0.0000487200000000, 0.0005397300000000 ] - [ -0.0021368900000000, 0.0008737500000000, 0.0003476500000000 ] - [ -0.0005785400000000, -0.0001932100000000, -0.0001945500000000 ] - [ -0.0003017700000000, 0.0000461800000000, 0.0003354200000000 ] - [ -0.0000250900000000, 0.0002845200000000, -0.0001948000000000 ] - [ 0.0003003800000000, 0.0000488800000000, -0.0002247600000000 ] - [ 0.0002522400000000, 0.0001038000000000, 0.0001610500000000 ] - [ 0.0003490800000000, -0.0000072100000000, 0.0001599600000000 ] - [ -0.0003010200000000, -0.0000428400000000, -0.0002911600000000 ] - [ -0.0002159800000000, 0.0000623700000000, 0.0001681900000000 ] - [ -0.0003860300000000, -0.0001502000000000, 0.0001668900000000 ] - [ 0.0015298600000000, -0.0015470800000000, -0.0427403200000000 ] - [ 0.0015376000000000, -0.0013041800000000, 0.0034671200000000 ] - [ 0.0010080500000000, -0.0009294800000000, 0.0034251200000000 ] - [ -0.0012762500000000, 0.0011081200000000, -0.0005284700000000 ] - [ -0.0013908700000000, 0.0009386600000000, 0.0004537700000000 ] - [ -0.0011517100000000, 0.0012923400000000, 0.0004562300000000 ] - [ 0.0012114900000000, 0.0012025100000000, -0.0002030000000000 ] - [ 0.0012734800000000, 0.0011143400000000, -0.0001241300000000 ] - [ 0.0013346200000000, 0.0010270600000000, -0.0002029500000000 ] - [ -0.0012435700000000, -0.0011668100000000, -0.0002309600000000 ] - [ -0.0012735000000000, -0.0011134700000000, -0.0001469900000000 ] - [ -0.0013028200000000, -0.0010599100000000, -0.0002311700000000 ] - [ -0.0004989800000000, -0.0006745100000000, -0.0030923500000000 ] - [ 0.0004920800000000, 0.0001189200000000, 0.0011203900000000 ] - [ -0.0015215900000000, -0.0014986100000000, 0.0011166100000000 ] - [ 0.0005202400000000, 0.0006923100000000, -0.0001386900000000 ] - [ 0.0004471600000000, 0.0005725200000000, 0.0001632600000000 ] - [ 0.0005923300000000, 0.0008099600000000, 0.0001633100000000 ] - [ -0.0007981000000000, 0.0008097800000000, -0.0003432100000000 ] - [ -0.0005198900000000, 0.0006891600000000, 0.0007320100000000 ] - [ -0.0002419600000000, 0.0005675400000000, -0.0003436400000000 ] - [ 0.0006760200000000, -0.0008258800000000, -0.0002267500000000 ] - [ 0.0005185300000000, -0.0006880700000000, 0.0002923400000000 ] - [ 0.0003600000000000, -0.0005487900000000, -0.0002247000000000 ] - [ 0.0015201600000000, -0.0006493900000000, -0.0003899100000000 ] - [ 0.0013363800000000, -0.0005603000000000, 0.0005953600000000 ] - [ 0.0011499500000000, -0.0004782000000000, -0.0003872000000000 ] - [ -0.0013541900000000, 0.0005237800000000, -0.0000217600000000 ] - [ -0.0013360000000000, 0.0005599800000000, 0.0002169100000000 ] - [ -0.0013176300000000, 0.0005960700000000, -0.0000214700000000 ] - [ 0.0013292700000000, 0.0005606300000000, -0.0023141900000000 ] - [ -0.0003636700000000, 0.0009644300000000, 0.0018251000000000 ] - [ 0.0030281500000000, 0.0001476000000000, 0.0018213300000000 ] - [ -0.0013360300000000, -0.0005562900000000, -0.0004165600000000 ] - [ -0.0012707800000000, -0.0010015100000000, 0.0003542400000000 ] - [ -0.0014017700000000, -0.0001104700000000, 0.0003569300000000 ] - [ -0.0004816600000000, 0.0019803500000000, -0.0006105500000000 ] - [ -0.0003754500000000, -0.0000012800000000, 0.0001836300000000 ] - [ -0.0002703900000000, -0.0019639700000000, -0.0006099700000000 ] - [ 0.0003283200000000, 0.0002742100000000, -0.0001481700000000 ] - [ 0.0003749600000000, 0.0000044800000000, -0.0000116600000000 ] - [ 0.0004206000000000, -0.0002610100000000, -0.0001481800000000 ] - [ -0.0003783400000000, 0.0000012100000000, -0.0001248200000000 ] - [ -0.0002887000000000, 0.0001506600000000, 0.0003825300000000 ] - [ -0.0004622100000000, -0.0001476700000000, 0.0003840800000000 ] - [ 0.0003734000000000, -0.0000014200000000, -0.0004024600000000 ] - [ 0.0005650000000000, -0.0002346500000000, 0.0004276300000000 ] - [ 0.0001826500000000, 0.0002297700000000, 0.0004287900000000 ]- atom: 73 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0046328900000000, -0.0101940700000000, -0.0138037900000000 ] - [ -0.0008808100000000, -0.0007957500000000, 0.0028273000000000 ] - [ -0.0066140500000000, 0.0089993100000000, -0.0140844400000000 ] - [ 0.0002717400000000, 0.0002995200000000, -0.0000819400000000 ] - [ 0.0008826700000000, 0.0007912300000000, 0.0007955400000000 ] - [ 0.0014881300000000, 0.0012755600000000, -0.0000784300000000 ] - [ -0.0008836200000000, 0.0007933800000000, -0.0006350800000000 ] - [ -0.0008763700000000, 0.0009451600000000, -0.0001598500000000 ] - [ -0.0008908000000000, 0.0006406500000000, -0.0001598300000000 ] - [ 0.0008819900000000, -0.0007943500000000, -0.0004623300000000 ] - [ 0.0008823100000000, -0.0009163000000000, -0.0002554200000000 ] - [ 0.0008830100000000, -0.0006711600000000, -0.0002557700000000 ] - [ 0.0010255300000000, 0.0008955200000000, -0.0003586700000000 ] - [ 0.0006475300000000, 0.0006088700000000, 0.0010252600000000 ] - [ 0.0002609300000000, 0.0003101200000000, -0.0003420700000000 ] - [ -0.0007390700000000, -0.0006367700000000, 0.0000544000000000 ] - [ -0.0006488800000000, -0.0006131800000000, 0.0003665900000000 ] - [ -0.0005582500000000, -0.0005902400000000, 0.0000555500000000 ] - [ 0.0006488500000000, -0.0006076500000000, -0.0024926700000000 ] - [ -0.0001682400000000, -0.0004274900000000, 0.0008458700000000 ] - [ 0.0014595800000000, -0.0007903200000000, 0.0008407100000000 ] - [ -0.0006373300000000, 0.0005994300000000, -0.0020575600000000 ] - [ 0.0000181100000000, 0.0001341100000000, 0.0008731700000000 ] - [ -0.0013033200000000, 0.0010879500000000, 0.0008623500000000 ] - [ -0.0022815800000000, 0.0003445700000000, -0.0021342400000000 ] - [ -0.0007526500000000, 0.0005603700000000, 0.0008126700000000 ] - [ -0.0036955300000000, 0.0001082500000000, 0.0008114200000000 ] - [ 0.0022179700000000, -0.0003290600000000, -0.0004609600000000 ] - [ 0.0021748400000000, -0.0004733000000000, -0.0000604300000000 ] - [ 0.0022610300000000, -0.0001839600000000, -0.0000603800000000 ] - [ -0.0026921700000000, 0.0000622800000000, -0.0001553400000000 ] - [ -0.0022167000000000, -0.0003298300000000, 0.0011533300000000 ] - [ -0.0017355500000000, -0.0007253000000000, -0.0001515400000000 ] - [ 0.0023409800000000, 0.0002584200000000, -0.0000161200000000 ] - [ 0.0022191300000000, 0.0003237000000000, 0.0005535100000000 ] - [ 0.0020945400000000, 0.0003893700000000, -0.0000146000000000 ] - [ 0.0000014700000000, -0.0000044700000000, -0.0013515200000000 ] - [ -0.0000700700000000, 0.0001627600000000, 0.0002497500000000 ] - [ 0.0000714800000000, -0.0001691000000000, 0.0002543200000000 ] - [ 0.0007616600000000, 0.0000148900000000, -0.0000905000000000 ] - [ -0.0000002800000000, 0.0000008200000000, 0.0006246700000000 ] - [ -0.0007537800000000, -0.0000149800000000, -0.0000910400000000 ] - [ -0.0000110000000000, 0.0000179000000000, 0.0004362700000000 ] - [ -0.0000003000000000, -0.0000017800000000, 0.0006388700000000 ] - [ 0.0000097500000000, -0.0000217700000000, 0.0004378200000000 ] - [ 0.0001009900000000, 0.0001308400000000, -0.0008876500000000 ] - [ -0.0005582600000000, -0.0009077200000000, 0.0011737400000000 ] - [ 0.0005599000000000, 0.0009209200000000, 0.0011603600000000 ] - [ 0.0001741400000000, 0.0000492900000000, 0.0001427100000000 ] - [ 0.0001117500000000, 0.0000075800000000, -0.0001275300000000 ] - [ 0.0002338800000000, 0.0000898800000000, -0.0001291100000000 ] - [ -0.0001701500000000, -0.0000462500000000, 0.0000156000000000 ] - [ -0.0001743000000000, -0.0000591000000000, -0.0001027000000000 ] - [ -0.0001660400000000, -0.0000340800000000, -0.0001031600000000 ] - [ 0.0059817000000000, -0.0000781900000000, -0.0025411400000000 ] - [ 0.0001699800000000, -0.0000485500000000, -0.0009131200000000 ] - [ -0.0056538200000000, -0.0000296100000000, -0.0025189500000000 ] - [ -0.0007541100000000, 0.0034181500000000, -0.0019172700000000 ] - [ -0.0001699000000000, 0.0000462000000000, -0.0007763700000000 ] - [ 0.0004033300000000, -0.0033181200000000, -0.0018834100000000 ] - [ -0.0021359800000000, 0.0008716300000000, -0.0004077700000000 ] - [ 0.0003020600000000, -0.0000494400000000, -0.0006009000000000 ] - [ 0.0027407600000000, -0.0009768800000000, -0.0004029000000000 ] - [ -0.0000249500000000, 0.0002846300000000, 0.0001346800000000 ] - [ -0.0003016300000000, 0.0000465900000000, -0.0003961600000000 ] - [ -0.0005784000000000, -0.0001931500000000, 0.0001334200000000 ] - [ 0.0003004100000000, 0.0000493100000000, 0.0002860100000000 ] - [ 0.0003491200000000, -0.0000068200000000, -0.0000985000000000 ] - [ 0.0002525000000000, 0.0001042100000000, -0.0000999300000000 ] - [ -0.0003013200000000, -0.0000417700000000, 0.0003515100000000 ] - [ -0.0003863800000000, -0.0001498600000000, -0.0001061900000000 ] - [ -0.0002162100000000, 0.0000627500000000, -0.0001079900000000 ] - [ 0.0014609400000000, -0.0016455400000000, 0.0431414000000000 ] - [ 0.0010080700000000, -0.0009298100000000, -0.0030261800000000 ] - [ 0.0015375700000000, -0.0013044800000000, -0.0030682300000000 ] - [ -0.0012802600000000, 0.0011049400000000, 0.0009266000000000 ] - [ -0.0011511300000000, 0.0012929800000000, -0.0000580900000000 ] - [ -0.0013902600000000, 0.0009392800000000, -0.0000556100000000 ] - [ 0.0013347100000000, 0.0010273300000000, -0.0001950800000000 ] - [ 0.0012736800000000, 0.0011144500000000, -0.0002741600000000 ] - [ 0.0012115500000000, 0.0012027100000000, -0.0001953700000000 ] - [ -0.0013028400000000, -0.0010598400000000, -0.0001676400000000 ] - [ -0.0012736400000000, -0.0011133600000000, -0.0002521200000000 ] - [ -0.0012436800000000, -0.0011667000000000, -0.0001681500000000 ] - [ -0.0004945100000000, -0.0006636400000000, 0.0032352800000000 ] - [ -0.0015211700000000, -0.0014986600000000, -0.0009733600000000 ] - [ 0.0004924700000000, 0.0001188200000000, -0.0009782500000000 ] - [ 0.0005198100000000, 0.0006911100000000, 0.0002811600000000 ] - [ 0.0005922500000000, 0.0008100800000000, -0.0000207600000000 ] - [ 0.0004470500000000, 0.0005725800000000, -0.0000209400000000 ] - [ -0.0002413600000000, 0.0005668700000000, 0.0002007000000000 ] - [ -0.0005194000000000, 0.0006881900000000, -0.0008752100000000 ] - [ -0.0007976000000000, 0.0008091600000000, 0.0001999100000000 ] - [ 0.0003591400000000, -0.0005480700000000, 0.0000824500000000 ] - [ 0.0005177900000000, -0.0006873200000000, -0.0004345400000000 ] - [ 0.0006751600000000, -0.0008251100000000, 0.0000847000000000 ] - [ 0.0011503100000000, -0.0004782000000000, 0.0004932200000000 ] - [ 0.0013362700000000, -0.0005605800000000, -0.0004901200000000 ] - [ 0.0015205700000000, -0.0006493600000000, 0.0004941800000000 ] - [ -0.0013176100000000, 0.0005960400000000, 0.0001267400000000 ] - [ -0.0013357700000000, 0.0005601100000000, -0.0001118600000000 ] - [ -0.0013541600000000, 0.0005237800000000, 0.0001266600000000 ] - [ 0.0013289700000000, 0.0005611900000000, 0.0022090000000000 ] - [ 0.0030268200000000, 0.0001470800000000, -0.0019264000000000 ] - [ -0.0003650100000000, 0.0009638600000000, -0.0019305700000000 ] - [ -0.0013359400000000, -0.0005557300000000, 0.0003113300000000 ] - [ -0.0014017700000000, -0.0001092500000000, -0.0004623800000000 ] - [ -0.0012708100000000, -0.0010002200000000, -0.0004591900000000 ] - [ -0.0002709400000000, -0.0019644000000000, 0.0003729800000000 ] - [ -0.0003757200000000, -0.0000015400000000, -0.0004207100000000 ] - [ -0.0004821300000000, 0.0019800200000000, 0.0003734100000000 ] - [ 0.0004206900000000, -0.0002605900000000, -0.0000876200000000 ] - [ 0.0003751900000000, 0.0000048800000000, -0.0002242500000000 ] - [ 0.0003285400000000, 0.0002745800000000, -0.0000879000000000 ] - [ -0.0003768500000000, 0.0000007000000000, 0.0003608400000000 ] - [ -0.0004623600000000, -0.0001477500000000, -0.0001479100000000 ] - [ -0.0002887300000000, 0.0001506200000000, -0.0001466800000000 ] - [ 0.0003733000000000, -0.0000017100000000, 0.0006392800000000 ] - [ 0.0001828500000000, 0.0002295700000000, -0.0001917300000000 ] - [ 0.0005650700000000, -0.0002348200000000, -0.0001909800000000 ]- atom: 85 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0060068200000000, 0.0024660700000000, -0.0023296100000000 ] - [ -0.0003069200000000, -0.0006025500000000, 0.0003239300000000 ] - [ 0.0060052500000000, 0.0024658600000000, 0.0029797200000000 ] - [ 0.0008453200000000, 0.0005550900000000, 0.0003841700000000 ] - [ 0.0009302100000000, 0.0006552600000000, 0.0003250500000000 ] - [ 0.0008411600000000, 0.0005527000000000, 0.0002630400000000 ] - [ -0.0026742100000000, 0.0009299300000000, -0.0003247400000000 ] - [ -0.0019115100000000, 0.0007416500000000, -0.0011765400000000 ] - [ -0.0019100300000000, 0.0007428300000000, 0.0005268600000000 ] - [ 0.0008063900000000, -0.0009939500000000, -0.0003232300000000 ] - [ 0.0007507500000000, -0.0009209700000000, -0.0003780100000000 ] - [ 0.0007473400000000, -0.0009171300000000, -0.0002701200000000 ] - [ 0.0073543100000000, 0.0044707100000000, 0.0033250800000000 ] - [ 0.0014372300000000, 0.0008803700000000, 0.0001643000000000 ] - [ 0.0073546700000000, 0.0044706900000000, -0.0029935400000000 ] - [ -0.0011785700000000, -0.0005041400000000, 0.0000504400000000 ] - [ -0.0009625600000000, -0.0003805900000000, 0.0001650100000000 ] - [ -0.0011773600000000, -0.0005011400000000, 0.0002805700000000 ] - [ -0.0009256100000000, -0.0010692900000000, -0.0001656000000000 ] - [ -0.0002064000000000, -0.0007240100000000, 0.0000360200000000 ] - [ -0.0002042800000000, -0.0007246100000000, -0.0003658900000000 ] - [ 0.0002228500000000, 0.0004780500000000, -0.0001668500000000 ] - [ 0.0000152100000000, 0.0006482200000000, -0.0001933900000000 ] - [ 0.0000163600000000, 0.0006443500000000, -0.0001370700000000 ] - [ 0.0067215600000000, -0.0043193400000000, -0.0001824700000000 ] - [ -0.0006321600000000, 0.0011354800000000, -0.0012607100000000 ] - [ -0.0006297500000000, 0.0011335600000000, 0.0008927200000000 ] - [ 0.0017552000000000, -0.0003266100000000, -0.0001843900000000 ] - [ 0.0019552600000000, -0.0003406800000000, -0.0001580400000000 ] - [ 0.0019509900000000, -0.0003367400000000, -0.0002113000000000 ] - [ -0.0039922100000000, 0.0005538700000000, 0.0007586200000000 ] - [ -0.0029476600000000, 0.0000661400000000, 0.0001841200000000 ] - [ -0.0039910000000000, 0.0005516700000000, -0.0003897000000000 ] - [ 0.0026575500000000, 0.0001115100000000, 0.0002811900000000 ] - [ 0.0024636800000000, 0.0000476300000000, 0.0001840700000000 ] - [ 0.0026563800000000, 0.0001117700000000, 0.0000883900000000 ] - [ 0.0000695600000000, 0.0009848800000000, -0.0002169700000000 ] - [ 0.0005306800000000, 0.0010021500000000, 0.0005766900000000 ] - [ 0.0005313800000000, 0.0010027100000000, -0.0010095600000000 ] - [ -0.0003361400000000, 0.0004603600000000, -0.0000322000000000 ] - [ 0.0000530500000000, 0.0002608300000000, 0.0002166700000000 ] - [ -0.0003365500000000, 0.0004600600000000, 0.0004645300000000 ] - [ -0.0008430100000000, -0.0008797500000000, -0.0004593000000000 ] - [ -0.0005933600000000, -0.0005929000000000, 0.0005060900000000 ] - [ -0.0008423300000000, -0.0008787400000000, 0.0014722700000000 ] - [ -0.0007103900000000, -0.0006875700000000, -0.0005060900000000 ] - [ -0.0000300700000000, -0.0004591800000000, -0.0001889200000000 ] - [ -0.0000301300000000, -0.0004592200000000, -0.0008257600000000 ] - [ 0.0034751100000000, 0.0024901200000000, -0.0000624500000000 ] - [ 0.0008347500000000, 0.0004177900000000, 0.0009426400000000 ] - [ 0.0008344100000000, 0.0004174400000000, -0.0010731400000000 ] - [ 0.0004691200000000, 0.0003016800000000, -0.0000658100000000 ] - [ 0.0001774800000000, 0.0000528400000000, -0.0000130600000000 ] - [ 0.0001775300000000, 0.0000528400000000, -0.0001181000000000 ] - [ 0.0009751100000000, 0.0008024700000000, 0.0000908700000000 ] - [ 0.0003566700000000, 0.0000532900000000, 0.0000650200000000 ] - [ 0.0009740600000000, 0.0008021200000000, 0.0000399300000000 ] - [ -0.0006735200000000, 0.0006334700000000, -0.0006354200000000 ] - [ -0.0003389400000000, 0.0002553400000000, 0.0000649100000000 ] - [ -0.0006732900000000, 0.0006329700000000, 0.0007663300000000 ] - [ -0.0001510800000000, -0.0011455300000000, 0.0010307600000000 ] - [ 0.0000317900000000, -0.0003146500000000, -0.0000303400000000 ] - [ -0.0001512500000000, -0.0011451100000000, -0.0010920400000000 ] - [ 0.0000259500000000, 0.0000844500000000, -0.0000168300000000 ] - [ -0.0000359400000000, 0.0000278000000000, -0.0000304600000000 ] - [ 0.0000260600000000, 0.0000846000000000, -0.0000437500000000 ] - [ 0.0006049700000000, -0.0003149400000000, 0.0000306200000000 ] - [ 0.0008373600000000, -0.0004287300000000, -0.0002635900000000 ] - [ 0.0008373300000000, -0.0004290600000000, 0.0003249200000000 ] - [ -0.0012922300000000, 0.0001219300000000, 0.0000296800000000 ] - [ -0.0011667100000000, 0.0007476000000000, 0.0007736200000000 ] - [ -0.0011669000000000, 0.0007472700000000, -0.0007130000000000 ] - [ 0.0009767900000000, 0.0042496800000000, 0.0001974500000000 ] - [ -0.0000550100000000, -0.0002374100000000, -0.0008052100000000 ] - [ -0.0000546400000000, -0.0002364400000000, 0.0012039000000000 ] - [ -0.0010827900000000, 0.0013003000000000, 0.0001990400000000 ] - [ -0.0011407400000000, 0.0012636400000000, 0.0001266400000000 ] - [ -0.0011407600000000, 0.0012634100000000, 0.0002715800000000 ] - [ 0.0022079000000000, 0.0011177700000000, 0.0000798100000000 ] - [ 0.0020920500000000, 0.0012352500000000, -0.0001990300000000 ] - [ 0.0022080500000000, 0.0011173900000000, -0.0004777000000000 ] - [ -0.0013619200000000, -0.0007419300000000, -0.0000413800000000 ] - [ -0.0013616300000000, -0.0008642200000000, -0.0001994800000000 ] - [ -0.0013620900000000, -0.0007419300000000, -0.0003569900000000 ] - [ -0.0489859400000000, -0.0134798400000000, 0.0000746900000000 ] - [ -0.0019175200000000, -0.0017932800000000, 0.0002779100000000 ] - [ -0.0019176500000000, -0.0017932800000000, -0.0001352900000000 ] - [ 0.0008170100000000, 0.0008585500000000, 0.0000712300000000 ] - [ 0.0006244100000000, 0.0007521500000000, 0.0000627300000000 ] - [ 0.0006244000000000, 0.0007523100000000, 0.0000795200000000 ] - [ 0.0003571600000000, 0.0005344500000000, -0.0002598400000000 ] - [ 0.0000806100000000, 0.0004694700000000, -0.0000716700000000 ] - [ 0.0003572600000000, 0.0005345400000000, 0.0001166800000000 ] - [ 0.0003481100000000, -0.0005371600000000, -0.0000677200000000 ] - [ 0.0004518500000000, -0.0005252600000000, -0.0000712000000000 ] - [ 0.0003481600000000, -0.0005372400000000, -0.0000744400000000 ] - [ 0.0053184100000000, -0.0010124400000000, 0.0042626000000000 ] - [ 0.0011648700000000, -0.0006180900000000, 0.0000528400000000 ] - [ 0.0053213400000000, -0.0010134000000000, -0.0041597600000000 ] - [ -0.0011797800000000, 0.0006333000000000, 0.0000748800000000 ] - [ -0.0011848900000000, 0.0005934000000000, 0.0000525000000000 ] - [ -0.0011798700000000, 0.0006332500000000, 0.0000301400000000 ] - [ 0.0047179800000000, 0.0001269200000000, -0.0000528000000000 ] - [ 0.0025923700000000, -0.0001365800000000, -0.0013136500000000 ] - [ 0.0025930000000000, -0.0001368600000000, 0.0012085100000000 ] - [ -0.0015509600000000, -0.0005138300000000, -0.0000525900000000 ] - [ -0.0015535400000000, -0.0002968200000000, -0.0001754300000000 ] - [ -0.0015537100000000, -0.0002971800000000, 0.0000700900000000 ] - [ 0.0004188800000000, -0.0032771600000000, -0.0025188300000000 ] - [ -0.0006213400000000, -0.0001129700000000, -0.0001184900000000 ] - [ 0.0004201200000000, -0.0032777000000000, 0.0022826100000000 ] - [ 0.0001957400000000, -0.0003452100000000, 0.0000076900000000 ] - [ 0.0001375200000000, 0.0000096100000000, -0.0001178300000000 ] - [ 0.0001957200000000, -0.0003453000000000, -0.0002438100000000 ] - [ 0.0012310200000000, -0.0004350600000000, 0.0001181500000000 ] - [ -0.0001583600000000, -0.0003774600000000, 0.0003591200000000 ] - [ -0.0001583300000000, -0.0003774900000000, -0.0001233900000000 ] - [ 0.0005155100000000, -0.0001759200000000, 0.0001185500000000 ] - [ 0.0004552900000000, -0.0000606800000000, 0.0001473200000000 ] - [ 0.0004551800000000, -0.0000605400000000, 0.0000894900000000 ]- atom: 85 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0079801100000000, -0.0041961600000000, 0.0032114100000000 ] - [ -0.0014741000000000, -0.0009845300000000, 0.0003245400000000 ] - [ -0.0079796400000000, -0.0041953500000000, -0.0025587400000000 ] - [ 0.0009337400000000, 0.0010356500000000, 0.0002612200000000 ] - [ 0.0008427500000000, 0.0009328700000000, 0.0003247900000000 ] - [ 0.0009315100000000, 0.0010345600000000, 0.0003857900000000 ] - [ 0.0009139700000000, 0.0006522600000000, -0.0003236200000000 ] - [ 0.0001366200000000, 0.0008349200000000, 0.0005263800000000 ] - [ 0.0001379600000000, 0.0008371800000000, -0.0011760200000000 ] - [ 0.0009666000000000, -0.0005869100000000, -0.0003232700000000 ] - [ 0.0010273400000000, -0.0006612000000000, -0.0002701800000000 ] - [ 0.0010256100000000, -0.0006594200000000, -0.0003777600000000 ] - [ -0.0060711200000000, -0.0031919900000000, -0.0029003300000000 ] - [ -0.0001461500000000, 0.0003338100000000, 0.0001664300000000 ] - [ -0.0060681900000000, -0.0031929900000000, 0.0032345600000000 ] - [ -0.0001160200000000, -0.0007158200000000, 0.0002783200000000 ] - [ -0.0003292100000000, -0.0008369300000000, 0.0001659800000000 ] - [ -0.0001156100000000, -0.0007137100000000, 0.0000525800000000 ] - [ 0.0022231000000000, -0.0001491000000000, -0.0001654500000000 ] - [ 0.0014966700000000, -0.0004927300000000, -0.0003674600000000 ] - [ 0.0014994100000000, -0.0004930400000000, 0.0000358100000000 ] - [ -0.0015132400000000, 0.0007446700000000, -0.0001668200000000 ] - [ -0.0013050600000000, 0.0005769400000000, -0.0001396900000000 ] - [ -0.0013037500000000, 0.0005731500000000, -0.0001929400000000 ] - [ -0.0109922900000000, 0.0046854800000000, -0.0001854300000000 ] - [ -0.0037945700000000, -0.0004795800000000, 0.0008877100000000 ] - [ -0.0037933100000000, -0.0004813400000000, -0.0012551300000000 ] - [ 0.0026691000000000, -0.0003352300000000, -0.0001836500000000 ] - [ 0.0024759900000000, -0.0003220700000000, -0.0002108000000000 ] - [ 0.0024726900000000, -0.0003190600000000, -0.0001579700000000 ] - [ -0.0004328800000000, -0.0012272100000000, -0.0003943800000000 ] - [ -0.0014789900000000, -0.0007322000000000, 0.0001845800000000 ] - [ -0.0004323200000000, -0.0012290200000000, 0.0007625600000000 ] - [ 0.0017671600000000, 0.0005601000000000, 0.0000932300000000 ] - [ 0.0019608600000000, 0.0006173600000000, 0.0001834200000000 ] - [ 0.0017657800000000, 0.0005609200000000, 0.0002768600000000 ] - [ -0.0000795400000000, -0.0009750500000000, -0.0002163400000000 ] - [ -0.0005343700000000, -0.0010000000000000, -0.0010052500000000 ] - [ -0.0005350800000000, -0.0010001900000000, 0.0005721400000000 ] - [ 0.0003357000000000, -0.0004599100000000, 0.0004660100000000 ] - [ -0.0000535900000000, -0.0002590900000000, 0.0002161500000000 ] - [ 0.0003354400000000, -0.0004597900000000, -0.0000330500000000 ] - [ 0.0008456300000000, 0.0008806500000000, 0.0014686900000000 ] - [ 0.0005975500000000, 0.0005972000000000, 0.0005076100000000 ] - [ 0.0008442900000000, 0.0008793400000000, -0.0004524800000000 ] - [ 0.0007055400000000, 0.0006831700000000, -0.0005094300000000 ] - [ 0.0000309500000000, 0.0004615900000000, -0.0008269200000000 ] - [ 0.0000307900000000, 0.0004620200000000, -0.0001868300000000 ] - [ -0.0031076700000000, -0.0023704800000000, -0.0000685500000000 ] - [ -0.0005101800000000, -0.0003274200000000, -0.0010846400000000 ] - [ -0.0005094900000000, -0.0003275200000000, 0.0009534400000000 ] - [ -0.0008056800000000, -0.0003913500000000, -0.0000653700000000 ] - [ -0.0005174000000000, -0.0001447300000000, -0.0001171100000000 ] - [ -0.0005173600000000, -0.0001451400000000, -0.0000135000000000 ] - [ -0.0006391400000000, -0.0008966700000000, 0.0000405300000000 ] - [ -0.0000180400000000, -0.0001451800000000, 0.0000656700000000 ] - [ -0.0006380900000000, -0.0008961800000000, 0.0000902100000000 ] - [ 0.0003368700000000, -0.0005445600000000, 0.0007696500000000 ] - [ 0.0000002600000000, -0.0001652800000000, 0.0000655300000000 ] - [ 0.0003370300000000, -0.0005438800000000, -0.0006390000000000 ] - [ 0.0007534500000000, 0.0010513200000000, -0.0010870100000000 ] - [ 0.0005712500000000, 0.0002222100000000, -0.0000307900000000 ] - [ 0.0007523200000000, 0.0010511000000000, 0.0010255100000000 ] - [ -0.0006295100000000, 0.0000083600000000, -0.0000434400000000 ] - [ -0.0005658900000000, 0.0000644600000000, -0.0000305200000000 ] - [ -0.0006284000000000, 0.0000081500000000, -0.0000171500000000 ] - [ -0.0000004100000000, 0.0004089100000000, 0.0000306400000000 ] - [ -0.0002371300000000, 0.0005237700000000, 0.0003253500000000 ] - [ -0.0002374100000000, 0.0005239800000000, -0.0002644000000000 ] - [ 0.0006928000000000, -0.0002387900000000, 0.0000305600000000 ] - [ 0.0005666700000000, -0.0008430500000000, -0.0007165500000000 ] - [ 0.0005667000000000, -0.0008429600000000, 0.0007768900000000 ] - [ 0.0016008600000000, -0.0064698300000000, 0.0002010300000000 ] - [ 0.0026108000000000, -0.0019995800000000, 0.0012088700000000 ] - [ 0.0026113800000000, -0.0019992000000000, -0.0008095300000000 ] - [ -0.0014668000000000, 0.0009261800000000, 0.0001988600000000 ] - [ -0.0014060900000000, 0.0009644700000000, 0.0002718300000000 ] - [ -0.0014062600000000, 0.0009646200000000, 0.0001264100000000 ] - [ 0.0003363800000000, 0.0011112400000000, -0.0004774500000000 ] - [ 0.0004492300000000, 0.0009975600000000, -0.0001985700000000 ] - [ 0.0003364200000000, 0.0011109000000000, 0.0000781700000000 ] - [ -0.0011871600000000, -0.0014887500000000, -0.0003586200000000 ] - [ -0.0011859900000000, -0.0013666400000000, -0.0001993600000000 ] - [ -0.0011871000000000, -0.0014889000000000, -0.0000416100000000 ] - [ 0.0481288000000000, 0.0125363400000000, 0.0000694700000000 ] - [ 0.0008880800000000, 0.0004205800000000, -0.0001408100000000 ] - [ 0.0008880900000000, 0.0004207700000000, 0.0002833000000000 ] - [ 0.0002191100000000, 0.0005201200000000, 0.0000711800000000 ] - [ 0.0004124600000000, 0.0006269500000000, 0.0000797600000000 ] - [ 0.0004121500000000, 0.0006271200000000, 0.0000626900000000 ] - [ -0.0013977900000000, 0.0008479900000000, 0.0001194800000000 ] - [ -0.0011185300000000, 0.0009130100000000, -0.0000715600000000 ] - [ -0.0013980200000000, 0.0008479900000000, -0.0002629500000000 ] - [ 0.0006890600000000, -0.0008450300000000, -0.0000748200000000 ] - [ 0.0005849000000000, -0.0008578300000000, -0.0000708700000000 ] - [ 0.0006887200000000, -0.0008452400000000, -0.0000675400000000 ] - [ -0.0026195600000000, -0.0001065600000000, -0.0041176600000000 ] - [ 0.0015051500000000, -0.0004981700000000, 0.0000528900000000 ] - [ -0.0026225800000000, -0.0001055500000000, 0.0042243600000000 ] - [ -0.0014909300000000, 0.0004849200000000, 0.0000303300000000 ] - [ -0.0014851700000000, 0.0005248600000000, 0.0000526700000000 ] - [ -0.0014907900000000, 0.0004845000000000, 0.0000746100000000 ] - [ -0.0020818500000000, 0.0009912700000000, -0.0000525600000000 ] - [ 0.0000735000000000, 0.0012596500000000, 0.0012139200000000 ] - [ 0.0000726600000000, 0.0012602000000000, -0.0013193500000000 ] - [ -0.0011169500000000, -0.0006074200000000, -0.0000526700000000 ] - [ -0.0011152600000000, -0.0008251000000000, 0.0000694000000000 ] - [ -0.0011148800000000, -0.0008248400000000, -0.0001746800000000 ] - [ -0.0011629500000000, 0.0032789900000000, 0.0022922500000000 ] - [ -0.0001275400000000, 0.0001036900000000, -0.0001184000000000 ] - [ -0.0011641300000000, 0.0032793900000000, -0.0025304600000000 ] - [ 0.0005566700000000, 0.0003535700000000, -0.0002460200000000 ] - [ 0.0006148800000000, -0.0000015100000000, -0.0001178900000000 ] - [ 0.0005570000000000, 0.0003539800000000, 0.0000099000000000 ] - [ -0.0019909700000000, 0.0004483600000000, 0.0001184700000000 ] - [ -0.0005918700000000, 0.0003840500000000, -0.0001234600000000 ] - [ -0.0005920700000000, 0.0003849700000000, 0.0003589700000000 ] - [ 0.0002348300000000, 0.0001672100000000, 0.0001191100000000 ] - [ 0.0002954000000000, 0.0000511000000000, 0.0000888400000000 ] - [ 0.0002955200000000, 0.0000502900000000, 0.0001473000000000 ]- atom: 85 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0016375200000000, 0.0062176200000000, -0.0005862300000000 ] - [ -0.0005072100000000, 0.0000891600000000, 0.0003239600000000 ] - [ 0.0016368800000000, 0.0062177300000000, 0.0012373600000000 ] - [ 0.0007970400000000, -0.0003840100000000, 0.0003066000000000 ] - [ 0.0009334800000000, 0.0002034900000000, 0.0003251700000000 ] - [ 0.0007929000000000, -0.0003860300000000, 0.0003407900000000 ] - [ -0.0010868500000000, 0.0024015700000000, -0.0003237000000000 ] - [ -0.0009442600000000, 0.0018070800000000, -0.0000495200000000 ] - [ -0.0009428600000000, 0.0018087300000000, -0.0006012000000000 ] - [ 0.0007424300000000, -0.0016741200000000, -0.0003236500000000 ] - [ 0.0007875200000000, -0.0014803300000000, -0.0003947200000000 ] - [ 0.0007851300000000, -0.0014769100000000, -0.0002527100000000 ] - [ 0.0040569900000000, 0.0119064900000000, 0.0059044800000000 ] - [ 0.0010176000000000, 0.0014145500000000, 0.0001638500000000 ] - [ 0.0040582300000000, 0.0119055300000000, -0.0055714900000000 ] - [ -0.0006589100000000, -0.0010157000000000, 0.0002359800000000 ] - [ -0.0007056900000000, -0.0010872000000000, 0.0001654700000000 ] - [ -0.0006579100000000, -0.0010124200000000, 0.0000946100000000 ] - [ 0.0002452200000000, -0.0004264000000000, -0.0001658100000000 ] - [ 0.0001673800000000, -0.0004512100000000, 0.0001703300000000 ] - [ 0.0001689200000000, -0.0004521800000000, -0.0005005600000000 ] - [ 0.0000647300000000, -0.0009907900000000, -0.0001672900000000 ] - [ -0.0002010000000000, -0.0001859800000000, 0.0004284300000000 ] - [ -0.0001995600000000, -0.0001891800000000, -0.0007585200000000 ] - [ -0.0068384400000000, 0.0126692500000000, -0.0001849600000000 ] - [ -0.0017323400000000, 0.0010669400000000, 0.0005464400000000 ] - [ -0.0017302700000000, 0.0010642000000000, -0.0009162500000000 ] - [ 0.0020859700000000, -0.0008580200000000, -0.0001846600000000 ] - [ 0.0021747100000000, -0.0007874000000000, -0.0001163900000000 ] - [ 0.0021701600000000, -0.0007840000000000, -0.0002527200000000 ] - [ -0.0017184000000000, 0.0009700300000000, 0.0002828800000000 ] - [ -0.0023541300000000, 0.0007569900000000, 0.0001836800000000 ] - [ -0.0017170400000000, 0.0009678700000000, 0.0000867100000000 ] - [ 0.0023933800000000, -0.0016745600000000, -0.0006385500000000 ] - [ 0.0023365200000000, -0.0008221600000000, 0.0001840600000000 ] - [ 0.0023919200000000, -0.0016746300000000, 0.0010074500000000 ] - [ 0.0017421500000000, -0.0004851400000000, -0.0002167500000000 ] - [ 0.0003016800000000, -0.0006392300000000, -0.0009987300000000 ] - [ 0.0003020300000000, -0.0006390600000000, 0.0005658800000000 ] - [ 0.0005487200000000, -0.0003666200000000, 0.0006276500000000 ] - [ 0.0001059100000000, -0.0000705100000000, 0.0002168300000000 ] - [ 0.0005481100000000, -0.0003666800000000, -0.0001953200000000 ] - [ -0.0009160200000000, -0.0006533600000000, -0.0000739700000000 ] - [ -0.0006763500000000, -0.0009593600000000, 0.0005065500000000 ] - [ -0.0009156500000000, -0.0006525300000000, 0.0010874100000000 ] - [ -0.0028814800000000, -0.0019405000000000, -0.0005027700000000 ] - [ -0.0002139000000000, -0.0002682100000000, 0.0001666500000000 ] - [ -0.0002144300000000, -0.0002680100000000, -0.0011822300000000 ] - [ 0.0033582100000000, 0.0013494500000000, -0.0000636100000000 ] - [ 0.0022802600000000, 0.0001991700000000, 0.0018972300000000 ] - [ 0.0022801600000000, 0.0001974900000000, -0.0020273700000000 ] - [ 0.0002424100000000, 0.0003052600000000, -0.0000656300000000 ] - [ -0.0000141600000000, 0.0001839000000000, -0.0000806400000000 ] - [ -0.0000142200000000, 0.0001840400000000, -0.0000504800000000 ] - [ 0.0010474100000000, -0.0000509600000000, -0.0006313900000000 ] - [ 0.0002749700000000, -0.0000686200000000, 0.0000652100000000 ] - [ 0.0010459900000000, -0.0000514400000000, 0.0007619500000000 ] - [ -0.0006663100000000, 0.0015340400000000, -0.0016350500000000 ] - [ -0.0001309300000000, 0.0002594000000000, 0.0000650000000000 ] - [ -0.0006665000000000, 0.0015331000000000, 0.0017662700000000 ] - [ 0.0001214500000000, 0.0011720700000000, -0.0014308300000000 ] - [ 0.0001653000000000, -0.0000708700000000, -0.0000303600000000 ] - [ 0.0001212200000000, 0.0011720400000000, 0.0013690700000000 ] - [ -0.0002181000000000, 0.0002899200000000, -0.0001718100000000 ] - [ -0.0002627800000000, 0.0001900600000000, -0.0000303100000000 ] - [ -0.0002178600000000, 0.0002902800000000, 0.0001113200000000 ] - [ 0.0001773000000000, -0.0000558800000000, 0.0000305200000000 ] - [ -0.0002025300000000, 0.0000554300000000, 0.0003729200000000 ] - [ -0.0002027500000000, 0.0000548400000000, -0.0003115900000000 ] - [ -0.0010487000000000, 0.0047152100000000, 0.0000299400000000 ] - [ -0.0009326000000000, 0.0011700000000000, 0.0011243500000000 ] - [ -0.0009327000000000, 0.0011695300000000, -0.0010638300000000 ] - [ 0.0117468700000000, 0.0122938100000000, 0.0001943100000000 ] - [ 0.0008307700000000, -0.0010030400000000, -0.0006130100000000 ] - [ 0.0008311400000000, -0.0010019100000000, 0.0010120800000000 ] - [ -0.0011547600000000, 0.0012891900000000, 0.0001985400000000 ] - [ -0.0011205100000000, 0.0014588600000000, 0.0000808100000000 ] - [ -0.0011205500000000, 0.0014583400000000, 0.0003174500000000 ] - [ 0.0017411900000000, 0.0007128500000000, -0.0000772100000000 ] - [ 0.0019884100000000, 0.0006495100000000, -0.0001987300000000 ] - [ 0.0017415700000000, 0.0007125600000000, -0.0003207400000000 ] - [ -0.0010245600000000, -0.0004573800000000, -0.0000601300000000 ] - [ -0.0012548500000000, -0.0006605500000000, -0.0001994500000000 ] - [ -0.0010246100000000, -0.0004572200000000, -0.0003381300000000 ] - [ -0.0137592500000000, -0.0639846600000000, 0.0000748200000000 ] - [ -0.0016296900000000, -0.0026911400000000, 0.0004548000000000 ] - [ -0.0016298300000000, -0.0026915000000000, -0.0003121000000000 ] - [ 0.0006869400000000, 0.0013372700000000, 0.0000713100000000 ] - [ 0.0005810000000000, 0.0011106300000000, 0.0000620300000000 ] - [ 0.0005811300000000, 0.0011107600000000, 0.0000801800000000 ] - [ -0.0003616400000000, 0.0000704200000000, -0.0002146100000000 ] - [ -0.0002963600000000, 0.0002508300000000, -0.0000713300000000 ] - [ -0.0003616400000000, 0.0000703400000000, 0.0000712900000000 ] - [ 0.0003656300000000, 0.0000923400000000, -0.0001362100000000 ] - [ 0.0003532000000000, -0.0000489300000000, -0.0000714400000000 ] - [ 0.0003659600000000, 0.0000922700000000, -0.0000058200000000 ] - [ 0.0006588400000000, -0.0031690400000000, -0.0013184400000000 ] - [ 0.0012486200000000, -0.0011142900000000, 0.0000531000000000 ] - [ 0.0006579200000000, -0.0031692300000000, 0.0014240800000000 ] - [ -0.0012339200000000, 0.0009111300000000, 0.0000208000000000 ] - [ -0.0012508100000000, 0.0008716100000000, 0.0000526500000000 ] - [ -0.0012341100000000, 0.0009112800000000, 0.0000842100000000 ] - [ 0.0023943100000000, -0.0004785200000000, -0.0000527500000000 ] - [ 0.0022691300000000, -0.0005309200000000, -0.0010130900000000 ] - [ 0.0022697500000000, -0.0005310100000000, 0.0009082600000000 ] - [ -0.0016095100000000, 0.0004569100000000, -0.0000525100000000 ] - [ -0.0016734900000000, 0.0003715800000000, -0.0001061900000000 ] - [ -0.0016738200000000, 0.0003710100000000, 0.0000008500000000 ] - [ -0.0035727000000000, 0.0009414200000000, 0.0029025700000000 ] - [ -0.0005873800000000, -0.0005173600000000, -0.0001186900000000 ] - [ -0.0035727100000000, 0.0009425300000000, -0.0031400900000000 ] - [ -0.0000249000000000, 0.0005098900000000, -0.0001166800000000 ] - [ 0.0001478800000000, 0.0002422400000000, -0.0001179100000000 ] - [ -0.0000248500000000, 0.0005099100000000, -0.0001192900000000 ] - [ -0.0029452500000000, -0.0000487700000000, 0.0001183900000000 ] - [ -0.0004044900000000, -0.0002622100000000, -0.0000151000000000 ] - [ -0.0004042600000000, -0.0002620600000000, 0.0002505900000000 ] - [ 0.0002452600000000, 0.0005991600000000, 0.0001186000000000 ] - [ 0.0002301200000000, 0.0003296400000000, -0.0000017000000000 ] - [ 0.0002297400000000, 0.0003291800000000, 0.0002382000000000 ]- atom: 85 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0035053100000000, -0.0078664600000000, 0.0013457400000000 ] - [ -0.0012699000000000, -0.0016790100000000, 0.0003246500000000 ] - [ -0.0035055300000000, -0.0078656100000000, -0.0006945000000000 ] - [ 0.0009867500000000, 0.0019800600000000, 0.0003379100000000 ] - [ 0.0008392400000000, 0.0013850200000000, 0.0003256400000000 ] - [ 0.0009828800000000, 0.0019784100000000, 0.0003095200000000 ] - [ -0.0006855400000000, -0.0008130500000000, -0.0003243800000000 ] - [ -0.0008317800000000, -0.0002165200000000, -0.0005961000000000 ] - [ -0.0008303000000000, -0.0002140600000000, -0.0000530600000000 ] - [ 0.0010255400000000, 0.0000853000000000, -0.0003231200000000 ] - [ 0.0009863600000000, -0.0001093100000000, -0.0002546300000000 ] - [ 0.0009841400000000, -0.0001067100000000, -0.0003937000000000 ] - [ -0.0025886900000000, -0.0104483800000000, -0.0052581100000000 ] - [ 0.0002769400000000, -0.0001788200000000, 0.0001647600000000 ] - [ -0.0025858800000000, -0.0104479100000000, 0.0055908600000000 ] - [ -0.0006329100000000, -0.0002096400000000, 0.0000918400000000 ] - [ -0.0005827000000000, -0.0001371500000000, 0.0001654200000000 ] - [ -0.0006329100000000, -0.0002070500000000, 0.0002387800000000 ] - [ 0.0010394800000000, -0.0008094400000000, -0.0001655800000000 ] - [ 0.0011188500000000, -0.0007772000000000, -0.0004989900000000 ] - [ 0.0011201700000000, -0.0007778400000000, 0.0001682800000000 ] - [ -0.0013576800000000, 0.0022126400000000, -0.0001668500000000 ] - [ -0.0010896300000000, 0.0014101300000000, -0.0007636400000000 ] - [ -0.0010889200000000, 0.0014067700000000, 0.0004324700000000 ] - [ 0.0028547100000000, -0.0124859400000000, -0.0001826600000000 ] - [ -0.0026901500000000, -0.0004179900000000, -0.0009194800000000 ] - [ -0.0026888500000000, -0.0004202600000000, 0.0005515500000000 ] - [ 0.0023386900000000, 0.0002040000000000, -0.0001842400000000 ] - [ 0.0022556300000000, 0.0001315900000000, -0.0002526900000000 ] - [ 0.0022513100000000, 0.0001356600000000, -0.0001160700000000 ] - [ -0.0027158600000000, -0.0016116200000000, 0.0000919900000000 ] - [ -0.0020771400000000, -0.0014048300000000, 0.0001843600000000 ] - [ -0.0027136900000000, -0.0016132800000000, 0.0002762000000000 ] - [ 0.0020329900000000, 0.0023175000000000, 0.0009990600000000 ] - [ 0.0020865400000000, 0.0014714000000000, 0.0001841600000000 ] - [ 0.0020321200000000, 0.0023180000000000, -0.0006297100000000 ] - [ -0.0017334600000000, 0.0005049500000000, -0.0002169600000000 ] - [ -0.0002978800000000, 0.0006498100000000, 0.0005727500000000 ] - [ -0.0002970900000000, 0.0006503000000000, -0.0010054400000000 ] - [ -0.0005494900000000, 0.0003672700000000, -0.0001981000000000 ] - [ -0.0001068100000000, 0.0000683900000000, 0.0002168000000000 ] - [ -0.0005495800000000, 0.0003668700000000, 0.0006304000000000 ] - [ 0.0009104600000000, 0.0006539000000000, 0.0010858500000000 ] - [ 0.0006738700000000, 0.0009567400000000, 0.0005071900000000 ] - [ 0.0009093800000000, 0.0006525200000000, -0.0000688400000000 ] - [ 0.0028785100000000, 0.0019078400000000, -0.0005116400000000 ] - [ 0.0002150400000000, 0.0002588400000000, -0.0011852100000000 ] - [ 0.0002148100000000, 0.0002587600000000, 0.0001714100000000 ] - [ -0.0029999700000000, -0.0012459500000000, -0.0000671500000000 ] - [ -0.0019281500000000, -0.0001026000000000, -0.0020161500000000 ] - [ -0.0019277800000000, -0.0001015100000000, 0.0018845200000000 ] - [ -0.0005787400000000, -0.0003999400000000, -0.0000653400000000 ] - [ -0.0003238100000000, -0.0002799100000000, -0.0000493800000000 ] - [ -0.0003235000000000, -0.0002799900000000, -0.0000813400000000 ] - [ -0.0007021600000000, -0.0000263100000000, 0.0007698500000000 ] - [ 0.0000659100000000, -0.0000242800000000, 0.0000655500000000 ] - [ -0.0007009700000000, -0.0000255400000000, -0.0006385900000000 ] - [ 0.0003355500000000, -0.0014493900000000, 0.0017879600000000 ] - [ -0.0002102000000000, -0.0001608800000000, 0.0000655200000000 ] - [ 0.0003359500000000, -0.0014488800000000, -0.0016573800000000 ] - [ 0.0004802900000000, -0.0012633600000000, 0.0013687300000000 ] - [ 0.0004384800000000, -0.0000173200000000, -0.0000304800000000 ] - [ 0.0004797100000000, -0.0012628800000000, -0.0014297100000000 ] - [ -0.0003861900000000, -0.0001957800000000, 0.0001119300000000 ] - [ -0.0003419300000000, -0.0000957800000000, -0.0000303400000000 ] - [ -0.0003857100000000, -0.0001958700000000, -0.0001725900000000 ] - [ 0.0004311800000000, 0.0001422000000000, 0.0000305800000000 ] - [ 0.0008080700000000, 0.0000323100000000, -0.0003128500000000 ] - [ 0.0008081500000000, 0.0000323100000000, 0.0003741800000000 ] - [ 0.0004376800000000, -0.0047341900000000, 0.0000302500000000 ] - [ 0.0003233200000000, -0.0012604600000000, -0.0010557100000000 ] - [ 0.0003232700000000, -0.0012606300000000, 0.0011161400000000 ] - [ -0.0093420800000000, -0.0147011900000000, 0.0002047300000000 ] - [ 0.0017112300000000, -0.0012168800000000, 0.0010043400000000 ] - [ 0.0017116900000000, -0.0012160800000000, -0.0006056800000000 ] - [ -0.0013994700000000, 0.0009408200000000, 0.0001994800000000 ] - [ -0.0014288000000000, 0.0007724600000000, 0.0003179600000000 ] - [ -0.0014287500000000, 0.0007724500000000, 0.0000798400000000 ] - [ 0.0008096100000000, 0.0015139500000000, -0.0003201200000000 ] - [ 0.0005624900000000, 0.0015780500000000, -0.0001992000000000 ] - [ 0.0008097200000000, 0.0015136200000000, -0.0000788400000000 ] - [ -0.0015204500000000, -0.0017708600000000, -0.0003379500000000 ] - [ -0.0012925600000000, -0.0015693600000000, -0.0001997300000000 ] - [ -0.0015205400000000, -0.0017707400000000, -0.0000616900000000 ] - [ 0.0122554800000000, 0.0628481400000000, 0.0000681900000000 ] - [ 0.0005829700000000, 0.0012995400000000, -0.0003235500000000 ] - [ 0.0005831100000000, 0.0012997100000000, 0.0004662000000000 ] - [ 0.0003506500000000, 0.0000403600000000, 0.0000711200000000 ] - [ 0.0004575800000000, 0.0002702700000000, 0.0000809100000000 ] - [ 0.0004574300000000, 0.0002704000000000, 0.0000615600000000 ] - [ -0.0006769000000000, 0.0013130400000000, 0.0000683900000000 ] - [ -0.0007416900000000, 0.0011310200000000, -0.0000715300000000 ] - [ -0.0006768800000000, 0.0013130500000000, -0.0002116600000000 ] - [ 0.0006753200000000, -0.0014732700000000, -0.0000055700000000 ] - [ 0.0006872000000000, -0.0013331400000000, -0.0000709300000000 ] - [ 0.0006752100000000, -0.0014734500000000, -0.0001367900000000 ] - [ 0.0019868300000000, 0.0020483700000000, 0.0014140800000000 ] - [ 0.0014222600000000, -0.0000065100000000, 0.0000529500000000 ] - [ 0.0019876100000000, 0.0020485400000000, -0.0013100600000000 ] - [ -0.0014372900000000, 0.0002088000000000, 0.0000849200000000 ] - [ -0.0014205300000000, 0.0002483100000000, 0.0000526300000000 ] - [ -0.0014372300000000, 0.0002086200000000, 0.0000200100000000 ] - [ 0.0003058700000000, 0.0015953300000000, -0.0000528300000000 ] - [ 0.0004078400000000, 0.0016503300000000, 0.0009035100000000 ] - [ 0.0004073700000000, 0.0016507900000000, -0.0010090400000000 ] - [ -0.0010648300000000, -0.0015724700000000, -0.0000527800000000 ] - [ -0.0009999900000000, -0.0014914400000000, 0.0000047200000000 ] - [ -0.0009998700000000, -0.0014911900000000, -0.0001099000000000 ] - [ 0.0028122200000000, -0.0009551200000000, -0.0031344100000000 ] - [ -0.0001639100000000, 0.0005070600000000, -0.0001182600000000 ] - [ 0.0028126500000000, -0.0009561400000000, 0.0028975100000000 ] - [ 0.0007727400000000, -0.0005095700000000, -0.0001189400000000 ] - [ 0.0006008400000000, -0.0002387700000000, -0.0001177200000000 ] - [ 0.0007729300000000, -0.0005099000000000, -0.0001172800000000 ] - [ 0.0022146200000000, 0.0000543400000000, 0.0001180800000000 ] - [ -0.0003476000000000, 0.0002695600000000, 0.0002510100000000 ] - [ -0.0003476100000000, 0.0002698400000000, -0.0000151400000000 ] - [ 0.0005055700000000, -0.0006038900000000, 0.0001186300000000 ] - [ 0.0005213600000000, -0.0003332700000000, 0.0002385800000000 ] - [ 0.0005214100000000, -0.0003334700000000, -0.0000018600000000 ]- atom: 85 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0032087000000000, -0.0026246500000000, 0.0088321800000000 ] - [ -0.0008763000000000, -0.0007840700000000, -0.0022968500000000 ] - [ 0.0011815900000000, 0.0009060300000000, 0.0085813500000000 ] - [ 0.0009011900000000, 0.0006649600000000, 0.0003511700000000 ] - [ 0.0008838800000000, 0.0007889100000000, 0.0001877900000000 ] - [ 0.0008631100000000, 0.0009110700000000, 0.0003516600000000 ] - [ -0.0008787300000000, 0.0007870800000000, 0.0016911500000000 ] - [ -0.0016596000000000, 0.0006697800000000, -0.0013671600000000 ] - [ -0.0001027200000000, 0.0009093300000000, -0.0013721300000000 ] - [ 0.0008798900000000, -0.0007873600000000, -0.0000958400000000 ] - [ 0.0008923200000000, -0.0008809100000000, -0.0004380200000000 ] - [ 0.0008681400000000, -0.0006955400000000, -0.0004390700000000 ] - [ 0.0041551800000000, 0.0087076500000000, 0.0121777800000000 ] - [ 0.0006471100000000, 0.0006044200000000, -0.0033936800000000 ] - [ -0.0026124300000000, -0.0070366800000000, 0.0117642500000000 ] - [ -0.0005067000000000, -0.0007583900000000, 0.0004009500000000 ] - [ -0.0006512300000000, -0.0006087400000000, -0.0003264900000000 ] - [ -0.0007947400000000, -0.0004603300000000, 0.0003990500000000 ] - [ 0.0006515100000000, -0.0006103700000000, 0.0006144600000000 ] - [ 0.0008795200000000, -0.0003500600000000, -0.0006013600000000 ] - [ 0.0004251400000000, -0.0008667400000000, -0.0006011300000000 ] - [ -0.0006510000000000, 0.0006093700000000, 0.0000331900000000 ] - [ -0.0006798400000000, 0.0007570200000000, -0.0003064700000000 ] - [ -0.0006222400000000, 0.0004603700000000, -0.0003099800000000 ] - [ -0.0022271200000000, 0.0003293000000000, 0.0049395800000000 ] - [ -0.0029304600000000, 0.0016755900000000, -0.0014438600000000 ] - [ -0.0015273500000000, -0.0010066100000000, -0.0014488100000000 ] - [ 0.0022209400000000, -0.0003348200000000, -0.0000809000000000 ] - [ 0.0022304200000000, -0.0003070400000000, -0.0002415900000000 ] - [ 0.0022130900000000, -0.0003632400000000, -0.0002421300000000 ] - [ -0.0010536400000000, -0.0002972300000000, 0.0007115200000000 ] - [ -0.0022186200000000, -0.0003349600000000, -0.0007643300000000 ] - [ -0.0033890000000000, -0.0003753300000000, 0.0007074500000000 ] - [ 0.0021351000000000, -0.0001768200000000, 0.0005494000000000 ] - [ 0.0022211900000000, 0.0003337100000000, -0.0006838300000000 ] - [ 0.0023058200000000, 0.0008525600000000, 0.0005405900000000 ] - [ -0.0000049600000000, 0.0000031600000000, 0.0019138700000000 ] - [ 0.0003125100000000, -0.0008600500000000, -0.0016733900000000 ] - [ -0.0003108500000000, 0.0008630000000000, -0.0016778200000000 ] - [ -0.0000458900000000, 0.0000784300000000, 0.0004031400000000 ] - [ -0.0000000500000000, -0.0000003200000000, -0.0001473800000000 ] - [ 0.0000493300000000, -0.0000815000000000, 0.0004002100000000 ] - [ -0.0002276700000000, -0.0001560200000000, 0.0012355100000000 ] - [ -0.0000022700000000, -0.0000032800000000, -0.0011946200000000 ] - [ 0.0002267000000000, 0.0001568700000000, 0.0012286100000000 ] - [ -0.0000038800000000, 0.0000000900000000, -0.0002077700000000 ] - [ 0.0002955300000000, 0.0005835400000000, -0.0007942500000000 ] - [ -0.0002921600000000, -0.0005806200000000, -0.0007950500000000 ] - [ 0.0001576100000000, 0.0000348400000000, -0.0030059700000000 ] - [ 0.0024871700000000, 0.0005344700000000, 0.0025804800000000 ] - [ -0.0021454900000000, -0.0004520900000000, 0.0025755700000000 ] - [ -0.0001671500000000, -0.0000424100000000, -0.0002313600000000 ] - [ -0.0000826500000000, 0.0001222300000000, 0.0000225000000000 ] - [ -0.0002483900000000, -0.0002037500000000, 0.0000235000000000 ] - [ -0.0006689700000000, -0.0013421700000000, -0.0005280000000000 ] - [ 0.0001645500000000, -0.0000422600000000, 0.0005978500000000 ] - [ 0.0009941100000000, 0.0012496800000000, -0.0005244600000000 ] - [ -0.0000871900000000, 0.0000616200000000, -0.0001997100000000 ] - [ -0.0001645000000000, 0.0000403200000000, 0.0005041000000000 ] - [ -0.0002446800000000, 0.0000250900000000, -0.0001939200000000 ] - [ 0.0004293000000000, -0.0001219900000000, -0.0004635400000000 ] - [ 0.0003005000000000, -0.0000455900000000, 0.0004897300000000 ] - [ 0.0001726400000000, 0.0000389100000000, -0.0004536700000000 ] - [ -0.0004303700000000, -0.0000201800000000, -0.0001237100000000 ] - [ -0.0003010100000000, 0.0000457600000000, 0.0001655300000000 ] - [ -0.0001719200000000, 0.0001119700000000, -0.0001228800000000 ] - [ 0.0003001600000000, 0.0000459900000000, -0.0005549400000000 ] - [ -0.0001891400000000, 0.0002921200000000, 0.0006136100000000 ] - [ 0.0007888900000000, -0.0001989500000000, 0.0006141100000000 ] - [ -0.0003013400000000, -0.0000622500000000, -0.0021971600000000 ] - [ -0.0011394200000000, 0.0015630100000000, 0.0016276700000000 ] - [ 0.0005312400000000, -0.0016479100000000, 0.0016233200000000 ] - [ 0.0012978500000000, -0.0011011400000000, -0.0029642700000000 ] - [ 0.0013905100000000, -0.0022218400000000, 0.0012476100000000 ] - [ 0.0011636800000000, -0.0000108500000000, 0.0012462500000000 ] - [ -0.0012760600000000, 0.0011103100000000, -0.0000109500000000 ] - [ -0.0012762900000000, 0.0010953000000000, 0.0002912400000000 ] - [ -0.0012748800000000, 0.0011265200000000, 0.0002914900000000 ] - [ 0.0012103900000000, 0.0011968800000000, -0.0004723700000000 ] - [ 0.0012759500000000, 0.0011105300000000, 0.0006051400000000 ] - [ 0.0013392800000000, 0.0010252900000000, -0.0004698600000000 ] - [ -0.0011224700000000, -0.0009004600000000, -0.0003553300000000 ] - [ -0.0012752800000000, -0.0011105400000000, 0.0001643600000000 ] - [ -0.0014277900000000, -0.0013207000000000, -0.0003529500000000 ] - [ -0.0004694300000000, -0.0010079700000000, -0.0578013800000000 ] - [ -0.0007271600000000, -0.0010800500000000, 0.0049403500000000 ] - [ -0.0003083600000000, -0.0003017800000000, 0.0049019300000000 ] - [ 0.0005164700000000, 0.0006911900000000, -0.0001038700000000 ] - [ 0.0005084900000000, 0.0006813600000000, 0.0001515400000000 ] - [ 0.0005253000000000, 0.0007004200000000, 0.0001525400000000 ] - [ -0.0003273000000000, 0.0005491100000000, -0.0001814000000000 ] - [ -0.0005179600000000, 0.0006907400000000, 0.0004667800000000 ] - [ -0.0007066300000000, 0.0008321400000000, -0.0001795000000000 ] - [ 0.0005200700000000, -0.0006250200000000, -0.0000919100000000 ] - [ 0.0005164800000000, -0.0006904300000000, 0.0000053800000000 ] - [ 0.0005129200000000, -0.0007559600000000, -0.0000910300000000 ] - [ 0.0061678700000000, -0.0014597700000000, 0.0017519600000000 ] - [ 0.0013358000000000, -0.0005597900000000, 0.0010529400000000 ] - [ -0.0034814000000000, 0.0003351800000000, 0.0017673000000000 ] - [ -0.0013293000000000, 0.0005793700000000, 0.0000099100000000 ] - [ -0.0013342500000000, 0.0005592000000000, 0.0001476700000000 ] - [ -0.0013397100000000, 0.0005387500000000, 0.0000107500000000 ] - [ 0.0013358000000000, 0.0005593600000000, -0.0026290800000000 ] - [ -0.0000680600000000, 0.0012544800000000, 0.0016835400000000 ] - [ 0.0027322200000000, -0.0001359200000000, 0.0016814400000000 ] - [ -0.0013337500000000, -0.0005599900000000, -0.0002789900000000 ] - [ -0.0012894800000000, -0.0004474400000000, 0.0000839200000000 ] - [ -0.0013771200000000, -0.0006692400000000, 0.0000881300000000 ] - [ -0.0039052700000000, 0.0036940600000000, 0.0020884700000000 ] - [ -0.0003780000000000, -0.0000089100000000, 0.0009605800000000 ] - [ 0.0031342000000000, -0.0036959500000000, 0.0020844000000000 ] - [ 0.0002880200000000, 0.0007205100000000, -0.0003668300000000 ] - [ 0.0003753700000000, 0.0000113100000000, 0.0001137200000000 ] - [ 0.0004651200000000, -0.0006989000000000, -0.0003655000000000 ] - [ -0.0003854600000000, 0.0000105400000000, -0.0002052500000000 ] - [ -0.0002063400000000, -0.0002772700000000, 0.0003355000000000 ] - [ -0.0005467600000000, 0.0002970700000000, 0.0003384100000000 ] - [ 0.0003754100000000, -0.0000081200000000, -0.0000011200000000 ] - [ 0.0003545200000000, -0.0000996500000000, 0.0001739600000000 ] - [ 0.0003978200000000, 0.0000810400000000, 0.0001748000000000 ]- atom: 85 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0011824900000000, 0.0009073300000000, -0.0079346900000000 ] - [ -0.0008814500000000, -0.0007858000000000, 0.0029452100000000 ] - [ -0.0032091200000000, -0.0026242800000000, -0.0081778100000000 ] - [ 0.0008663400000000, 0.0009145000000000, 0.0002944400000000 ] - [ 0.0008825100000000, 0.0007908100000000, 0.0004600200000000 ] - [ 0.0009028400000000, 0.0006667700000000, 0.0002958900000000 ] - [ -0.0008819800000000, 0.0007881900000000, -0.0023406500000000 ] - [ -0.0001057200000000, 0.0009092300000000, 0.0007234900000000 ] - [ -0.0016617000000000, 0.0006720000000000, 0.0007169500000000 ] - [ 0.0008826900000000, -0.0007898000000000, -0.0005514500000000 ] - [ 0.0008743300000000, -0.0006982900000000, -0.0002096600000000 ] - [ 0.0008945300000000, -0.0008790000000000, -0.0002104200000000 ] - [ -0.0026201700000000, -0.0070356900000000, -0.0114303200000000 ] - [ 0.0006427200000000, 0.0006074400000000, 0.0037252100000000 ] - [ 0.0041495600000000, 0.0087082700000000, -0.0118454700000000 ] - [ -0.0007905400000000, -0.0004644900000000, -0.0000682000000000 ] - [ -0.0006458600000000, -0.0006117200000000, 0.0006582200000000 ] - [ -0.0005031800000000, -0.0007586100000000, -0.0000683600000000 ] - [ 0.0006488100000000, -0.0006123600000000, -0.0009455200000000 ] - [ 0.0004185700000000, -0.0008688900000000, 0.0002704600000000 ] - [ 0.0008765000000000, -0.0003520200000000, 0.0002691400000000 ] - [ -0.0006453300000000, 0.0006105300000000, -0.0003656300000000 ] - [ -0.0006160400000000, 0.0004660200000000, -0.0000224300000000 ] - [ -0.0006728600000000, 0.0007555200000000, -0.0000255900000000 ] - [ -0.0022195100000000, 0.0003252600000000, -0.0053079500000000 ] - [ -0.0015215300000000, -0.0010098900000000, 0.0010805600000000 ] - [ -0.0029216900000000, 0.0016692900000000, 0.0010778600000000 ] - [ 0.0022131800000000, -0.0003301700000000, -0.0002860300000000 ] - [ 0.0022105000000000, -0.0003601600000000, -0.0001271200000000 ] - [ 0.0022211900000000, -0.0002982700000000, -0.0001280500000000 ] - [ -0.0033797500000000, -0.0003682200000000, -0.0003389600000000 ] - [ -0.0022122600000000, -0.0003305500000000, 0.0011332900000000 ] - [ -0.0010442600000000, -0.0002923600000000, -0.0003430200000000 ] - [ 0.0022984900000000, 0.0008452500000000, -0.0001703900000000 ] - [ 0.0022146800000000, 0.0003249900000000, 0.0010500000000000 ] - [ 0.0021268100000000, -0.0001827500000000, -0.0001796400000000 ] - [ -0.0000048500000000, 0.0000025700000000, -0.0023465200000000 ] - [ -0.0003100800000000, 0.0008617000000000, 0.0012449500000000 ] - [ 0.0003130500000000, -0.0008608000000000, 0.0012398900000000 ] - [ 0.0000495300000000, -0.0000811600000000, 0.0000329600000000 ] - [ -0.0000008400000000, -0.0000009100000000, 0.0005799900000000 ] - [ -0.0000462700000000, 0.0000783500000000, 0.0000294500000000 ] - [ 0.0002262000000000, 0.0001564600000000, -0.0002119900000000 ] - [ -0.0000000800000000, -0.0000010900000000, 0.0022078400000000 ] - [ -0.0002283400000000, -0.0001566300000000, -0.0002224100000000 ] - [ -0.0000030300000000, 0.0000001500000000, -0.0008072300000000 ] - [ -0.0002941700000000, -0.0005798200000000, -0.0002186400000000 ] - [ 0.0002933000000000, 0.0005849300000000, -0.0002213100000000 ] - [ 0.0001650100000000, 0.0000433200000000, 0.0028750900000000 ] - [ -0.0021400500000000, -0.0004453600000000, -0.0027072900000000 ] - [ 0.0024928100000000, 0.0005414800000000, -0.0027104600000000 ] - [ -0.0001737800000000, -0.0000499900000000, 0.0001003400000000 ] - [ -0.0002547600000000, -0.0002116100000000, -0.0001540500000000 ] - [ -0.0000890600000000, 0.0001137600000000, -0.0001537500000000 ] - [ 0.0010005000000000, 0.0012425100000000, 0.0006556900000000 ] - [ 0.0001711000000000, -0.0000501600000000, -0.0004672600000000 ] - [ -0.0006626700000000, -0.0013496000000000, 0.0006586600000000 ] - [ -0.0002511800000000, 0.0000323200000000, 0.0003249100000000 ] - [ -0.0001714700000000, 0.0000484900000000, -0.0003734000000000 ] - [ -0.0000935100000000, 0.0000692000000000, 0.0003303000000000 ] - [ 0.0001748400000000, 0.0000379500000000, 0.0003922800000000 ] - [ 0.0003027900000000, -0.0000467000000000, -0.0005512000000000 ] - [ 0.0004309700000000, -0.0001226600000000, 0.0004026900000000 ] - [ -0.0001739400000000, 0.0001131400000000, 0.0000625800000000 ] - [ -0.0003027200000000, 0.0000467900000000, -0.0002265200000000 ] - [ -0.0004318700000000, -0.0000189900000000, 0.0000631100000000 ] - [ 0.0003017100000000, 0.0000471400000000, 0.0006161200000000 ] - [ 0.0007901300000000, -0.0001975400000000, -0.0005527300000000 ] - [ -0.0001877500000000, 0.0002932900000000, -0.0005524200000000 ] - [ -0.0003026900000000, -0.0000642000000000, 0.0022574100000000 ] - [ 0.0005288600000000, -0.0016487400000000, -0.0015625300000000 ] - [ -0.0011413800000000, 0.0015621100000000, -0.0015674900000000 ] - [ 0.0012946000000000, -0.0011040700000000, 0.0033630400000000 ] - [ 0.0011604300000000, -0.0000154800000000, -0.0008477700000000 ] - [ 0.0013876400000000, -0.0022265500000000, -0.0008480700000000 ] - [ -0.0012722400000000, 0.0011151200000000, 0.0004088100000000 ] - [ -0.0012719600000000, 0.0011318200000000, 0.0001065900000000 ] - [ -0.0012733900000000, 0.0011007600000000, 0.0001071600000000 ] - [ 0.0013361500000000, 0.0010306000000000, 0.0000718700000000 ] - [ 0.0012725200000000, 0.0011159300000000, -0.0010029900000000 ] - [ 0.0012073300000000, 0.0012021300000000, 0.0000734600000000 ] - [ -0.0014243900000000, -0.0013253800000000, -0.0000460600000000 ] - [ -0.0012720900000000, -0.0011153900000000, -0.0005632200000000 ] - [ -0.0011190700000000, -0.0009051200000000, -0.0000438400000000 ] - [ -0.0004771900000000, -0.0010135700000000, 0.0579463000000000 ] - [ -0.0003116200000000, -0.0003012600000000, -0.0047590400000000 ] - [ -0.0007302600000000, -0.0010794300000000, -0.0047979100000000 ] - [ 0.0005192300000000, 0.0006902900000000, 0.0002463900000000 ] - [ 0.0005279100000000, 0.0006995900000000, -0.0000100200000000 ] - [ 0.0005108900000000, 0.0006806100000000, -0.0000093000000000 ] - [ -0.0007093000000000, 0.0008308800000000, 0.0000363700000000 ] - [ -0.0005207000000000, 0.0006899900000000, -0.0006099600000000 ] - [ -0.0003297400000000, 0.0005481500000000, 0.0000383700000000 ] - [ 0.0005159200000000, -0.0007548700000000, -0.0000512800000000 ] - [ 0.0005194000000000, -0.0006893800000000, -0.0001474500000000 ] - [ 0.0005228100000000, -0.0006242800000000, -0.0000503000000000 ] - [ -0.0034775900000000, 0.0003337800000000, -0.0016627000000000 ] - [ 0.0013373200000000, -0.0005605100000000, -0.0009472800000000 ] - [ 0.0061711900000000, -0.0014607600000000, -0.0016467000000000 ] - [ -0.0013416000000000, 0.0005393300000000, 0.0000945200000000 ] - [ -0.0013361200000000, 0.0005599400000000, -0.0000424400000000 ] - [ -0.0013310400000000, 0.0005797900000000, 0.0000948400000000 ] - [ 0.0013377200000000, 0.0005595700000000, 0.0025238000000000 ] - [ 0.0027329200000000, -0.0001345800000000, -0.0017862900000000 ] - [ -0.0000673500000000, 0.0012560400000000, -0.0017891500000000 ] - [ -0.0013354500000000, -0.0005606400000000, 0.0001735000000000 ] - [ -0.0013788700000000, -0.0006700100000000, -0.0001932200000000 ] - [ -0.0012910400000000, -0.0004482000000000, -0.0001890100000000 ] - [ 0.0031357400000000, -0.0036856900000000, -0.0023209500000000 ] - [ -0.0003757600000000, 0.0000003600000000, -0.0011975600000000 ] - [ -0.0039038300000000, 0.0037038800000000, -0.0023260200000000 ] - [ 0.0004631800000000, -0.0007081400000000, 0.0001294200000000 ] - [ 0.0003734600000000, 0.0000022200000000, -0.0003497300000000 ] - [ 0.0002864000000000, 0.0007116500000000, 0.0001311200000000 ] - [ -0.0003841700000000, 0.0000012700000000, 0.0004414700000000 ] - [ -0.0005453100000000, 0.0002875600000000, -0.0001023400000000 ] - [ -0.0002047700000000, -0.0002857800000000, -0.0000997500000000 ] - [ 0.0003737400000000, 0.0000006000000000, 0.0002383800000000 ] - [ 0.0003957400000000, 0.0000903600000000, 0.0000618700000000 ] - [ 0.0003525000000000, -0.0000909200000000, 0.0000626100000000 ]- atom: 97 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0030136900000000, -0.0009361600000000, 0.0003249700000000 ] - [ -0.0020488300000000, -0.0010729700000000, 0.0010613300000000 ] - [ -0.0020494100000000, -0.0010722600000000, -0.0004108500000000 ] - [ 0.0006086800000000, 0.0007091000000000, 0.0003230300000000 ] - [ 0.0006285600000000, 0.0007386900000000, 0.0003344000000000 ] - [ 0.0006279500000000, 0.0007380500000000, 0.0003136200000000 ] - [ 0.0100191500000000, 0.0026982100000000, -0.0046267900000000 ] - [ 0.0100100300000000, 0.0026965300000000, 0.0039703000000000 ] - [ 0.0001372100000000, 0.0012062700000000, -0.0003243500000000 ] - [ 0.0011474200000000, -0.0009612400000000, -0.0003013200000000 ] - [ 0.0011481900000000, -0.0009618000000000, -0.0003473200000000 ] - [ 0.0011255300000000, -0.0010486500000000, -0.0003247700000000 ] - [ 0.0061117200000000, 0.0006825900000000, 0.0001665800000000 ] - [ 0.0020114500000000, 0.0014645400000000, 0.0008434500000000 ] - [ 0.0020111700000000, 0.0014628400000000, -0.0005104300000000 ] - [ -0.0010858000000000, -0.0011207800000000, 0.0001659000000000 ] - [ -0.0010238700000000, -0.0009163700000000, 0.0001261700000000 ] - [ -0.0010239600000000, -0.0009157300000000, 0.0002055800000000 ] - [ -0.0005723000000000, 0.0004182900000000, 0.0003532000000000 ] - [ -0.0005726900000000, 0.0004198800000000, -0.0006838900000000 ] - [ 0.0000562400000000, -0.0001432700000000, -0.0001662900000000 ] - [ -0.0006656200000000, -0.0001698300000000, -0.0002889000000000 ] - [ -0.0006656400000000, -0.0001697800000000, -0.0000438500000000 ] - [ -0.0008273400000000, 0.0000311600000000, -0.0001659100000000 ] - [ 0.0057953400000000, 0.0045413900000000, 0.0053463000000000 ] - [ 0.0057925200000000, 0.0045416900000000, -0.0057131300000000 ] - [ -0.0016937300000000, 0.0009050600000000, -0.0001832700000000 ] - [ 0.0021220700000000, -0.0000816400000000, -0.0002017700000000 ] - [ 0.0021244900000000, -0.0000825900000000, -0.0001665300000000 ] - [ 0.0023267900000000, -0.0000371300000000, -0.0001848600000000 ] - [ -0.0045291000000000, -0.0005251800000000, 0.0001844100000000 ] - [ -0.0034549500000000, -0.0003491000000000, 0.0001236100000000 ] - [ -0.0034543200000000, -0.0003500100000000, 0.0002440500000000 ] - [ 0.0023101600000000, 0.0005583300000000, 0.0001848200000000 ] - [ 0.0023160100000000, 0.0004551400000000, 0.0002936500000000 ] - [ 0.0023147700000000, 0.0004569200000000, 0.0000754600000000 ] - [ -0.0005928800000000, 0.0002760800000000, -0.0003206300000000 ] - [ -0.0005930600000000, 0.0002761200000000, -0.0001123600000000 ] - [ -0.0002812500000000, 0.0003381500000000, -0.0002163500000000 ] - [ 0.0010699900000000, 0.0010173600000000, 0.0002162800000000 ] - [ 0.0011716100000000, 0.0008573400000000, -0.0006473400000000 ] - [ 0.0011714000000000, 0.0008574100000000, 0.0010803300000000 ] - [ 0.0009504900000000, -0.0012420600000000, 0.0005086800000000 ] - [ 0.0005230000000000, -0.0005162200000000, 0.0004094500000000 ] - [ 0.0005237700000000, -0.0005164100000000, 0.0006059900000000 ] - [ -0.0007447100000000, -0.0003706800000000, -0.0005285300000000 ] - [ -0.0007449000000000, -0.0003706600000000, -0.0004850600000000 ] - [ -0.0004013700000000, 0.0000114500000000, -0.0005075500000000 ] - [ -0.0020332700000000, 0.0010031400000000, -0.0005717700000000 ] - [ -0.0020317300000000, 0.0010029500000000, 0.0004395900000000 ] - [ -0.0005580000000000, -0.0000573000000000, -0.0000660700000000 ] - [ -0.0001577100000000, 0.0002313600000000, -0.0002201000000000 ] - [ -0.0001577600000000, 0.0002311700000000, 0.0000893500000000 ] - [ -0.0001855200000000, 0.0002925700000000, -0.0000657500000000 ] - [ 0.0011663200000000, -0.0002235900000000, 0.0000651900000000 ] - [ 0.0009482800000000, -0.0000823200000000, -0.0000372300000000 ] - [ 0.0009484900000000, -0.0000823900000000, 0.0001675500000000 ] - [ 0.0000086600000000, 0.0002399400000000, 0.0000654000000000 ] - [ 0.0000008700000000, 0.0001390800000000, -0.0000400600000000 ] - [ 0.0000012000000000, 0.0001391100000000, 0.0001711400000000 ] - [ -0.0003725900000000, 0.0019112100000000, -0.0000309200000000 ] - [ -0.0001497800000000, 0.0021309900000000, -0.0017849200000000 ] - [ -0.0001496500000000, 0.0021312000000000, 0.0017245300000000 ] - [ -0.0001590800000000, -0.0002902600000000, -0.0000301400000000 ] - [ 0.0000101600000000, -0.0004553200000000, 0.0002510300000000 ] - [ 0.0000101300000000, -0.0004553000000000, -0.0003117000000000 ] - [ 0.0007618300000000, 0.0001553100000000, -0.0000825800000000 ] - [ 0.0007618000000000, 0.0001554000000000, 0.0001439300000000 ] - [ 0.0009162500000000, 0.0000759800000000, 0.0000306700000000 ] - [ -0.0001608600000000, -0.0009218300000000, 0.0007916500000000 ] - [ -0.0001608800000000, -0.0009210800000000, -0.0007305200000000 ] - [ -0.0003143000000000, -0.0001609300000000, 0.0000300000000000 ] - [ 0.0026667500000000, -0.0006872500000000, 0.0003822300000000 ] - [ 0.0026663900000000, -0.0006871300000000, 0.0000159600000000 ] - [ 0.0013347700000000, -0.0010051800000000, 0.0001996100000000 ] - [ -0.0010338700000000, 0.0010671900000000, 0.0002174300000000 ] - [ -0.0010338900000000, 0.0010673300000000, 0.0001806000000000 ] - [ -0.0010141600000000, 0.0010443600000000, 0.0001990400000000 ] - [ 0.0036575600000000, 0.0032497000000000, -0.0001993400000000 ] - [ 0.0019246200000000, 0.0029276400000000, 0.0015022000000000 ] - [ 0.0019248300000000, 0.0029280400000000, -0.0019015800000000 ] - [ -0.0015555500000000, -0.0010452800000000, -0.0001995300000000 ] - [ -0.0015389800000000, -0.0009039900000000, -0.0001346800000000 ] - [ -0.0015387800000000, -0.0009037900000000, -0.0002639800000000 ] - [ 0.0034335700000000, -0.0013480000000000, 0.0048699900000000 ] - [ 0.0034361600000000, -0.0013488400000000, -0.0047294700000000 ] - [ -0.0006891800000000, -0.0007772100000000, 0.0000713400000000 ] - [ 0.0006751400000000, 0.0007920400000000, 0.0000661100000000 ] - [ 0.0006752900000000, 0.0007919600000000, 0.0000763700000000 ] - [ 0.0006700700000000, 0.0007754000000000, 0.0000710800000000 ] - [ 0.0029041300000000, -0.0003578000000000, -0.0000713800000000 ] - [ 0.0007428900000000, -0.0002438600000000, 0.0013310200000000 ] - [ 0.0007433100000000, -0.0002439100000000, -0.0014749500000000 ] - [ 0.0003022000000000, -0.0004157000000000, -0.0000714500000000 ] - [ 0.0003003900000000, -0.0003525900000000, -0.0000274300000000 ] - [ 0.0003004500000000, -0.0003523900000000, -0.0001145000000000 ] - [ -0.0512696000000000, -0.0135915100000000, 0.0000605300000000 ] - [ -0.0008223400000000, -0.0018935200000000, 0.0000012200000000 ] - [ -0.0008223300000000, -0.0018936100000000, 0.0001041200000000 ] - [ -0.0013506200000000, 0.0005916000000000, 0.0000524500000000 ] - [ -0.0014127400000000, 0.0006255800000000, 0.0000556300000000 ] - [ -0.0014128200000000, 0.0006256600000000, 0.0000495200000000 ] - [ 0.0022197000000000, 0.0003320500000000, -0.0002755400000000 ] - [ 0.0022195900000000, 0.0003320000000000, 0.0001704200000000 ] - [ 0.0020659200000000, 0.0003534100000000, -0.0000524300000000 ] - [ -0.0012305400000000, -0.0005388700000000, -0.0000257900000000 ] - [ -0.0012307500000000, -0.0005390500000000, -0.0000791800000000 ] - [ -0.0011764300000000, -0.0004867900000000, -0.0000529200000000 ] - [ 0.0006963900000000, -0.0002344900000000, -0.0001187700000000 ] - [ 0.0001505300000000, -0.0003885100000000, -0.0004034400000000 ] - [ 0.0001506000000000, -0.0003884300000000, 0.0001663300000000 ] - [ 0.0005915100000000, -0.0000464200000000, -0.0001180500000000 ] - [ 0.0006086000000000, 0.0000003900000000, -0.0001180100000000 ] - [ 0.0006085200000000, 0.0000000900000000, -0.0001177300000000 ] - [ -0.0012952700000000, -0.0034689800000000, -0.0021330200000000 ] - [ -0.0012947300000000, -0.0034692700000000, 0.0023689900000000 ] - [ -0.0008596600000000, -0.0001855500000000, 0.0001180100000000 ] - [ -0.0000249800000000, -0.0002537200000000, 0.0002414100000000 ] - [ -0.0000245700000000, -0.0002537400000000, -0.0000046300000000 ] - [ -0.0000971800000000, 0.0001837600000000, 0.0001184300000000 ]- atom: 97 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0012543300000000, -0.0006518500000000, 0.0003252300000000 ] - [ 0.0002824700000000, -0.0005070600000000, -0.0004096800000000 ] - [ 0.0002817600000000, -0.0005070400000000, 0.0010594300000000 ] - [ 0.0011543100000000, 0.0008745500000000, 0.0003222600000000 ] - [ 0.0011343400000000, 0.0008459400000000, 0.0003136000000000 ] - [ 0.0011344100000000, 0.0008450900000000, 0.0003341700000000 ] - [ -0.0114932600000000, -0.0010204900000000, 0.0036462700000000 ] - [ -0.0114860000000000, -0.0010175700000000, -0.0042874200000000 ] - [ -0.0018952000000000, 0.0003805300000000, -0.0003256200000000 ] - [ 0.0006143900000000, -0.0006233000000000, -0.0003456600000000 ] - [ 0.0006160300000000, -0.0006244400000000, -0.0003023700000000 ] - [ 0.0006372900000000, -0.0005330700000000, -0.0003246100000000 ] - [ -0.0049546200000000, 0.0007673100000000, 0.0001668500000000 ] - [ -0.0007222800000000, -0.0002389800000000, -0.0005078600000000 ] - [ -0.0007218300000000, -0.0002395100000000, 0.0008383000000000 ] - [ -0.0002106900000000, -0.0001090000000000, 0.0001657900000000 ] - [ -0.0002720600000000, -0.0003110400000000, 0.0002050500000000 ] - [ -0.0002725200000000, -0.0003097400000000, 0.0001262600000000 ] - [ 0.0018649000000000, -0.0016314700000000, -0.0006765900000000 ] - [ 0.0018648900000000, -0.0016301400000000, 0.0003456400000000 ] - [ 0.0012404400000000, -0.0010767600000000, -0.0001668600000000 ] - [ -0.0006295900000000, 0.0013890500000000, -0.0000473300000000 ] - [ -0.0006294900000000, 0.0013894700000000, -0.0002846600000000 ] - [ -0.0004680000000000, 0.0011869300000000, -0.0001658700000000 ] - [ -0.0102258600000000, -0.0039939700000000, -0.0058477800000000 ] - [ -0.0102278300000000, -0.0039922700000000, 0.0054771800000000 ] - [ -0.0027449600000000, -0.0002492300000000, -0.0001826300000000 ] - [ 0.0023158500000000, -0.0005748700000000, -0.0001660100000000 ] - [ 0.0023192600000000, -0.0005760100000000, -0.0002017300000000 ] - [ 0.0021114900000000, -0.0006153000000000, -0.0001849300000000 ] - [ 0.0000756400000000, -0.0001356400000000, 0.0001846400000000 ] - [ -0.0009875100000000, -0.0003067800000000, 0.0002432000000000 ] - [ -0.0009859700000000, -0.0003070300000000, 0.0001252100000000 ] - [ 0.0021266000000000, 0.0000964600000000, 0.0001852800000000 ] - [ 0.0021203200000000, 0.0001978200000000, 0.0000745200000000 ] - [ 0.0021193500000000, 0.0001993800000000, 0.0002939000000000 ] - [ 0.0005911500000000, -0.0002767600000000, -0.0001142000000000 ] - [ 0.0005910300000000, -0.0002772500000000, -0.0003187800000000 ] - [ 0.0002802300000000, -0.0003396200000000, -0.0002165900000000 ] - [ -0.0010590600000000, -0.0010267100000000, 0.0002162800000000 ] - [ -0.0011682200000000, -0.0008576200000000, 0.0010818800000000 ] - [ -0.0011678400000000, -0.0008571600000000, -0.0006488000000000 ] - [ -0.0009405600000000, 0.0012408200000000, 0.0005079800000000 ] - [ -0.0005126600000000, 0.0005144100000000, 0.0006092600000000 ] - [ -0.0005143300000000, 0.0005150000000000, 0.0004028800000000 ] - [ 0.0007406500000000, 0.0003697200000000, -0.0004857800000000 ] - [ 0.0007400900000000, 0.0003705600000000, -0.0005296500000000 ] - [ 0.0003983200000000, -0.0000090200000000, -0.0005076400000000 ] - [ 0.0023584000000000, -0.0009244800000000, 0.0004615500000000 ] - [ 0.0023568700000000, -0.0009242900000000, -0.0005906600000000 ] - [ 0.0008955700000000, 0.0001504200000000, -0.0000651800000000 ] - [ -0.0001835000000000, -0.0003233700000000, 0.0000884900000000 ] - [ -0.0001832600000000, -0.0003232400000000, -0.0002192400000000 ] - [ -0.0001551500000000, -0.0003832200000000, -0.0000654300000000 ] - [ -0.0008203100000000, 0.0001274900000000, 0.0000658600000000 ] - [ -0.0006070500000000, -0.0000125300000000, 0.0001678500000000 ] - [ -0.0006071200000000, -0.0000122900000000, -0.0000365000000000 ] - [ -0.0003439600000000, -0.0001450600000000, 0.0000653100000000 ] - [ -0.0003384700000000, -0.0000455700000000, 0.0001703800000000 ] - [ -0.0003384300000000, -0.0000455700000000, -0.0000398000000000 ] - [ 0.0009825600000000, -0.0019757900000000, -0.0000304900000000 ] - [ 0.0007475500000000, -0.0022191500000000, 0.0017180200000000 ] - [ 0.0007474700000000, -0.0022194800000000, -0.0017796800000000 ] - [ -0.0004461500000000, 0.0003821900000000, -0.0000302200000000 ] - [ -0.0006139900000000, 0.0005467800000000, -0.0003115400000000 ] - [ -0.0006140800000000, 0.0005466100000000, 0.0002507600000000 ] - [ -0.0001565900000000, -0.0000607100000000, 0.0001427800000000 ] - [ -0.0001570300000000, -0.0000605800000000, -0.0000815100000000 ] - [ -0.0003111200000000, 0.0000184000000000, 0.0000306100000000 ] - [ -0.0004438800000000, 0.0008298500000000, -0.0007333200000000 ] - [ -0.0004435400000000, 0.0008294500000000, 0.0007933400000000 ] - [ -0.0002882500000000, 0.0000686500000000, 0.0000302500000000 ] - [ -0.0001075500000000, -0.0015370800000000, 0.0000126300000000 ] - [ -0.0001073500000000, -0.0015372300000000, 0.0003869400000000 ] - [ 0.0012133100000000, -0.0012238900000000, 0.0001994400000000 ] - [ -0.0015120500000000, 0.0011600300000000, 0.0001809900000000 ] - [ -0.0015119600000000, 0.0011604000000000, 0.0002172700000000 ] - [ -0.0015319100000000, 0.0011834100000000, 0.0001989600000000 ] - [ -0.0010831800000000, -0.0009999800000000, -0.0001989900000000 ] - [ 0.0006278200000000, -0.0006844200000000, -0.0018883700000000 ] - [ 0.0006277700000000, -0.0006853900000000, 0.0014913400000000 ] - [ -0.0009904400000000, -0.0011823400000000, -0.0001995900000000 ] - [ -0.0010087000000000, -0.0013248300000000, -0.0002659100000000 ] - [ -0.0010085400000000, -0.0013246000000000, -0.0001332300000000 ] - [ -0.0045047400000000, -0.0000208000000000, -0.0047768300000000 ] - [ -0.0045075900000000, -0.0000198000000000, 0.0049219100000000 ] - [ -0.0003490800000000, -0.0006039200000000, 0.0000713800000000 ] - [ 0.0003637200000000, 0.0005893100000000, 0.0000767200000000 ] - [ 0.0003636500000000, 0.0005896000000000, 0.0000658700000000 ] - [ 0.0003690100000000, 0.0006060600000000, 0.0000712000000000 ] - [ -0.0038959400000000, 0.0017313100000000, -0.0000717700000000 ] - [ -0.0017763500000000, 0.0016186900000000, -0.0014685100000000 ] - [ -0.0017769500000000, 0.0016190800000000, 0.0013261500000000 ] - [ 0.0007361900000000, -0.0009614600000000, -0.0000710800000000 ] - [ 0.0007385600000000, -0.0010270400000000, -0.0001152800000000 ] - [ 0.0007384600000000, -0.0010268700000000, -0.0000267500000000 ] - [ 0.0534955400000000, 0.0122272300000000, 0.0000445900000000 ] - [ 0.0034839600000000, 0.0007699800000000, 0.0001016500000000 ] - [ 0.0034839500000000, 0.0007699600000000, 0.0000038600000000 ] - [ -0.0013207800000000, 0.0005283100000000, 0.0000525400000000 ] - [ -0.0012588900000000, 0.0004947400000000, 0.0000494500000000 ] - [ -0.0012588000000000, 0.0004947100000000, 0.0000556700000000 ] - [ 0.0004554300000000, 0.0007862000000000, 0.0001678200000000 ] - [ 0.0004553200000000, 0.0007862200000000, -0.0002733500000000 ] - [ 0.0006063400000000, 0.0007648300000000, -0.0000526200000000 ] - [ -0.0014389500000000, -0.0005793500000000, -0.0000793000000000 ] - [ -0.0014389100000000, -0.0005794400000000, -0.0000259400000000 ] - [ -0.0014935000000000, -0.0006317200000000, -0.0000526900000000 ] - [ -0.0014388300000000, 0.0002270400000000, -0.0001186600000000 ] - [ -0.0008988500000000, 0.0003826100000000, 0.0001665100000000 ] - [ -0.0008988300000000, 0.0003828400000000, -0.0004032500000000 ] - [ 0.0001587100000000, 0.0000541200000000, -0.0001182800000000 ] - [ 0.0001418500000000, 0.0000078900000000, -0.0001178500000000 ] - [ 0.0001418100000000, 0.0000078100000000, -0.0001176800000000 ] - [ 0.0005331100000000, 0.0034643100000000, 0.0023643900000000 ] - [ 0.0005329600000000, 0.0034646200000000, -0.0021282200000000 ] - [ 0.0001076600000000, 0.0001915300000000, 0.0001179000000000 ] - [ 0.0007721100000000, 0.0002477100000000, -0.0000036900000000 ] - [ 0.0007721600000000, 0.0002477800000000, 0.0002406700000000 ] - [ 0.0008435300000000, -0.0001890200000000, 0.0001183900000000 ]- atom: 97 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0014324100000000, 0.0004947600000000, 0.0003248400000000 ] - [ -0.0011320300000000, -0.0000632900000000, 0.0005049000000000 ] - [ -0.0011318300000000, -0.0000627600000000, 0.0001451500000000 ] - [ 0.0008034200000000, 0.0002301900000000, 0.0003229600000000 ] - [ 0.0008625800000000, 0.0003225200000000, 0.0003264400000000 ] - [ 0.0008633300000000, 0.0003219600000000, 0.0003217200000000 ] - [ 0.0000914200000000, 0.0053160700000000, 0.0005806500000000 ] - [ 0.0000885000000000, 0.0053145400000000, -0.0012316700000000 ] - [ -0.0002394500000000, 0.0017212400000000, -0.0003246500000000 ] - [ 0.0008693300000000, -0.0018150300000000, -0.0004385200000000 ] - [ 0.0008714300000000, -0.0018158800000000, -0.0002088400000000 ] - [ 0.0006354100000000, -0.0016297100000000, -0.0003248300000000 ] - [ 0.0000688700000000, 0.0058351500000000, 0.0001660700000000 ] - [ 0.0016233100000000, 0.0015849200000000, -0.0006343300000000 ] - [ 0.0016243000000000, 0.0015836500000000, 0.0009664100000000 ] - [ -0.0009346000000000, -0.0012419100000000, 0.0001657500000000 ] - [ -0.0008360000000000, -0.0010195200000000, 0.0000145900000000 ] - [ -0.0008362400000000, -0.0010181300000000, 0.0003170600000000 ] - [ 0.0012154000000000, 0.0000859800000000, -0.0001675000000000 ] - [ 0.0012141900000000, 0.0000869300000000, -0.0001634400000000 ] - [ 0.0007501400000000, 0.0001098900000000, -0.0001660900000000 ] - [ -0.0012559900000000, -0.0010539700000000, -0.0008830800000000 ] - [ -0.0012564700000000, -0.0010530000000000, 0.0005509600000000 ] - [ -0.0010454600000000, -0.0004619500000000, -0.0001659800000000 ] - [ 0.0031676900000000, 0.0115244000000000, 0.0084509100000000 ] - [ 0.0031652400000000, 0.0115232300000000, -0.0088181400000000 ] - [ -0.0024504400000000, 0.0012912300000000, -0.0001828600000000 ] - [ 0.0025017300000000, -0.0009263200000000, -0.0001342400000000 ] - [ 0.0025057800000000, -0.0009275000000000, -0.0002339400000000 ] - [ 0.0022986600000000, -0.0009456800000000, -0.0001850500000000 ] - [ -0.0031380200000000, 0.0002976900000000, 0.0001847400000000 ] - [ -0.0026014500000000, -0.0000716600000000, 0.0001201000000000 ] - [ -0.0026000200000000, -0.0000724600000000, 0.0002484400000000 ] - [ 0.0022696600000000, -0.0005589400000000, 0.0001853900000000 ] - [ 0.0024975400000000, -0.0003677700000000, 0.0000394800000000 ] - [ 0.0024955600000000, -0.0003660400000000, 0.0003289800000000 ] - [ 0.0002762500000000, -0.0000422900000000, -0.0000818600000000 ] - [ 0.0002758200000000, -0.0000426300000000, -0.0003512900000000 ] - [ 0.0000531100000000, 0.0000079100000000, -0.0002164700000000 ] - [ 0.0016494500000000, -0.0014430000000000, 0.0002161400000000 ] - [ 0.0002247700000000, -0.0007439600000000, 0.0010159400000000 ] - [ 0.0002251200000000, -0.0007436900000000, -0.0005830100000000 ] - [ -0.0004484700000000, -0.0018176700000000, 0.0005081800000000 ] - [ -0.0013527500000000, -0.0009835000000000, -0.0010431800000000 ] - [ -0.0013506700000000, -0.0009826100000000, 0.0020565300000000 ] - [ -0.0004616500000000, -0.0003747500000000, -0.0006585000000000 ] - [ -0.0004619100000000, -0.0003741300000000, -0.0003550300000000 ] - [ -0.0001538800000000, 0.0000572500000000, -0.0005077700000000 ] - [ 0.0018623300000000, 0.0042672100000000, -0.0059389200000000 ] - [ 0.0018673500000000, 0.0042680600000000, 0.0058094100000000 ] - [ -0.0000314800000000, -0.0002034600000000, -0.0000658400000000 ] - [ 0.0002116100000000, 0.0004218400000000, -0.0001111200000000 ] - [ 0.0002120200000000, 0.0004218700000000, -0.0000199400000000 ] - [ -0.0000390400000000, 0.0001395500000000, -0.0000656800000000 ] - [ 0.0006199900000000, -0.0002474900000000, 0.0000652200000000 ] - [ 0.0004269400000000, -0.0001941100000000, -0.0001026000000000 ] - [ 0.0004265200000000, -0.0001938600000000, 0.0002330400000000 ] - [ 0.0002947300000000, 0.0003427300000000, 0.0000655400000000 ] - [ 0.0000951100000000, 0.0001716200000000, -0.0000416100000000 ] - [ 0.0000953200000000, 0.0001714000000000, 0.0001722000000000 ] - [ 0.0009628100000000, 0.0040802100000000, -0.0000307100000000 ] - [ 0.0000436600000000, 0.0022318900000000, -0.0018691300000000 ] - [ 0.0000438900000000, 0.0022319200000000, 0.0018082300000000 ] - [ -0.0005378200000000, 0.0001845200000000, -0.0000300700000000 ] - [ -0.0007732000000000, 0.0004300300000000, -0.0003497900000000 ] - [ -0.0007732300000000, 0.0004299600000000, 0.0002889700000000 ] - [ 0.0004754500000000, 0.0001363500000000, -0.0001172700000000 ] - [ 0.0004749800000000, 0.0001362700000000, 0.0001783900000000 ] - [ 0.0004178900000000, 0.0000735500000000, 0.0000305800000000 ] - [ -0.0007771200000000, 0.0009912300000000, -0.0009846100000000 ] - [ -0.0007761000000000, 0.0009904400000000, 0.0010445300000000 ] - [ -0.0004351100000000, 0.0000819300000000, 0.0000301600000000 ] - [ 0.0033136900000000, -0.0011401500000000, 0.0001143400000000 ] - [ 0.0033131700000000, -0.0011406700000000, 0.0002847100000000 ] - [ 0.0015322400000000, -0.0013732400000000, 0.0001994200000000 ] - [ -0.0012724100000000, 0.0012460300000000, 0.0002349700000000 ] - [ -0.0012725100000000, 0.0012463100000000, 0.0001630200000000 ] - [ -0.0013039500000000, 0.0012923700000000, 0.0001989500000000 ] - [ 0.0037840600000000, 0.0022287200000000, -0.0001994500000000 ] - [ 0.0017303600000000, 0.0010825000000000, 0.0002022800000000 ] - [ 0.0017304700000000, 0.0010814600000000, -0.0005999900000000 ] - [ -0.0013635200000000, -0.0004797100000000, -0.0001995100000000 ] - [ -0.0014216100000000, -0.0000443100000000, 0.0002476900000000 ] - [ -0.0014208900000000, -0.0000446600000000, -0.0006453100000000 ] - [ -0.0009680500000000, -0.0033022900000000, -0.0008205500000000 ] - [ -0.0009686700000000, -0.0033023200000000, 0.0009636300000000 ] - [ -0.0005810300000000, -0.0012445900000000, 0.0000712100000000 ] - [ 0.0005950500000000, 0.0010418800000000, 0.0000507800000000 ] - [ 0.0005948700000000, 0.0010423200000000, 0.0000917200000000 ] - [ 0.0005549300000000, 0.0010022300000000, 0.0000711900000000 ] - [ -0.0001001900000000, -0.0003440600000000, -0.0000712800000000 ] - [ 0.0001754800000000, -0.0003986800000000, 0.0006210800000000 ] - [ 0.0001760400000000, -0.0003992500000000, -0.0007648100000000 ] - [ 0.0004750900000000, 0.0003220700000000, -0.0000712400000000 ] - [ 0.0002569100000000, 0.0002411600000000, -0.0001818300000000 ] - [ 0.0002570900000000, 0.0002411900000000, 0.0000395900000000 ] - [ -0.0112669600000000, -0.0478625800000000, 0.0000514900000000 ] - [ 0.0000089900000000, -0.0023764000000000, -0.0005346800000000 ] - [ 0.0000090400000000, -0.0023765000000000, 0.0006402100000000 ] - [ -0.0013042100000000, 0.0010231100000000, 0.0000525200000000 ] - [ -0.0012701300000000, 0.0009861600000000, 0.0000436800000000 ] - [ -0.0012703400000000, 0.0009860100000000, 0.0000613200000000 ] - [ 0.0015619200000000, 0.0001606300000000, -0.0001268900000000 ] - [ 0.0015620200000000, 0.0001607700000000, 0.0000215900000000 ] - [ 0.0015403300000000, 0.0003377200000000, -0.0000527900000000 ] - [ -0.0013568100000000, -0.0001175200000000, -0.0000316300000000 ] - [ -0.0013566600000000, -0.0001176300000000, -0.0000734900000000 ] - [ -0.0014088700000000, -0.0001453700000000, -0.0000528500000000 ] - [ -0.0012852600000000, -0.0004445400000000, -0.0001189100000000 ] - [ -0.0003755400000000, -0.0002584700000000, -0.0000560800000000 ] - [ -0.0003757900000000, -0.0002581200000000, -0.0001805000000000 ] - [ 0.0002675600000000, 0.0003343900000000, -0.0001184700000000 ] - [ 0.0002781300000000, 0.0002402100000000, -0.0000382500000000 ] - [ 0.0002778100000000, 0.0002401300000000, -0.0001971600000000 ] - [ -0.0030410700000000, 0.0016307800000000, 0.0030355600000000 ] - [ -0.0030412400000000, 0.0016312600000000, -0.0027999300000000 ] - [ -0.0006116300000000, -0.0003580000000000, 0.0001181300000000 ] - [ 0.0000435100000000, 0.0006325300000000, 0.0001767900000000 ] - [ 0.0000438300000000, 0.0006328100000000, 0.0000602500000000 ] - [ 0.0000990000000000, 0.0004109300000000, 0.0001184700000000 ]- atom: 97 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0003321500000000, -0.0020800800000000, 0.0003253400000000 ] - [ -0.0006385000000000, -0.0015245700000000, 0.0001431400000000 ] - [ -0.0006379600000000, -0.0015237900000000, 0.0005061700000000 ] - [ 0.0009736300000000, 0.0013570900000000, 0.0003233200000000 ] - [ 0.0009080000000000, 0.0012636800000000, 0.0003225600000000 ] - [ 0.0009090400000000, 0.0012622000000000, 0.0003270100000000 ] - [ -0.0018738600000000, -0.0037268500000000, -0.0012433000000000 ] - [ -0.0018718400000000, -0.0037256100000000, 0.0005972000000000 ] - [ -0.0015375200000000, -0.0001374500000000, -0.0003254500000000 ] - [ 0.0008969800000000, 0.0002315300000000, -0.0002087300000000 ] - [ 0.0008990200000000, 0.0002310100000000, -0.0004378500000000 ] - [ 0.0011292700000000, 0.0000479900000000, -0.0003238900000000 ] - [ 0.0009424600000000, -0.0043030100000000, 0.0001681400000000 ] - [ -0.0003299000000000, -0.0003549400000000, 0.0009680500000000 ] - [ -0.0003296900000000, -0.0003550200000000, -0.0006388900000000 ] - [ -0.0003581100000000, 0.0000163800000000, 0.0001652300000000 ] - [ -0.0004549500000000, -0.0002016100000000, 0.0003141100000000 ] - [ -0.0004557500000000, -0.0002003900000000, 0.0000171300000000 ] - [ 0.0000832700000000, -0.0013179700000000, -0.0001679500000000 ] - [ 0.0000817800000000, -0.0013161500000000, -0.0001614800000000 ] - [ 0.0005440600000000, -0.0013363400000000, -0.0001673000000000 ] - [ -0.0000306800000000, 0.0022848600000000, 0.0005570100000000 ] - [ -0.0000308900000000, 0.0022856300000000, -0.0008900300000000 ] - [ -0.0002421300000000, 0.0016794200000000, -0.0001655500000000 ] - [ -0.0077774800000000, -0.0110541700000000, -0.0091376900000000 ] - [ -0.0077799200000000, -0.0110510300000000, 0.0087672600000000 ] - [ -0.0019742500000000, -0.0006454600000000, -0.0001830600000000 ] - [ 0.0019207500000000, 0.0002714200000000, -0.0002344500000000 ] - [ 0.0019257900000000, 0.0002699900000000, -0.0001340200000000 ] - [ 0.0021248500000000, 0.0002958500000000, -0.0001847600000000 ] - [ -0.0012824200000000, -0.0009403800000000, 0.0001848700000000 ] - [ -0.0018209300000000, -0.0005821200000000, 0.0002465700000000 ] - [ -0.0018178900000000, -0.0005817700000000, 0.0001212000000000 ] - [ 0.0021543900000000, 0.0012090500000000, 0.0001848600000000 ] - [ 0.0019305700000000, 0.0010161600000000, 0.0003276400000000 ] - [ 0.0019288800000000, 0.0010187000000000, 0.0000403900000000 ] - [ -0.0002728500000000, 0.0000416900000000, -0.0003494900000000 ] - [ -0.0002728700000000, 0.0000411200000000, -0.0000836900000000 ] - [ -0.0000479600000000, -0.0000059500000000, -0.0002162600000000 ] - [ -0.0016611400000000, 0.0014320700000000, 0.0002162000000000 ] - [ -0.0002278000000000, 0.0007385000000000, -0.0005779700000000 ] - [ -0.0002277300000000, 0.0007385800000000, 0.0010109000000000 ] - [ 0.0004502900000000, 0.0018249400000000, 0.0005092800000000 ] - [ 0.0013420600000000, 0.0009853500000000, 0.0020530100000000 ] - [ 0.0013385700000000, 0.0009848500000000, -0.0010396900000000 ] - [ 0.0004646600000000, 0.0003743300000000, -0.0003534900000000 ] - [ 0.0004638300000000, 0.0003747600000000, -0.0006612800000000 ] - [ 0.0001537700000000, -0.0000574100000000, -0.0005079800000000 ] - [ -0.0014952900000000, -0.0041437600000000, 0.0057529800000000 ] - [ -0.0015002000000000, -0.0041447100000000, -0.0058849700000000 ] - [ 0.0003742100000000, 0.0002990900000000, -0.0000654900000000 ] - [ -0.0005527600000000, -0.0005195500000000, -0.0000182700000000 ] - [ -0.0005530400000000, -0.0005204600000000, -0.0001121500000000 ] - [ -0.0003017800000000, -0.0002397900000000, -0.0000655800000000 ] - [ -0.0002840600000000, 0.0001531400000000, 0.0000655900000000 ] - [ -0.0000879000000000, 0.0000986800000000, 0.0002335100000000 ] - [ -0.0000880100000000, 0.0000989800000000, -0.0001025000000000 ] - [ -0.0006416500000000, -0.0002457600000000, 0.0000652500000000 ] - [ -0.0004379600000000, -0.0000724900000000, 0.0001734100000000 ] - [ -0.0004384700000000, -0.0000730700000000, -0.0000428100000000 ] - [ -0.0003723100000000, -0.0042164400000000, -0.0000305300000000 ] - [ 0.0005623900000000, -0.0023237900000000, 0.0018080300000000 ] - [ 0.0005621200000000, -0.0023236700000000, -0.0018695900000000 ] - [ -0.0000648000000000, -0.0000870900000000, -0.0000301500000000 ] - [ 0.0001726100000000, -0.0003342400000000, 0.0002883600000000 ] - [ 0.0001725100000000, -0.0003345100000000, -0.0003495700000000 ] - [ 0.0001255700000000, -0.0000434800000000, 0.0001772300000000 ] - [ 0.0001251200000000, -0.0000432700000000, -0.0001157600000000 ] - [ 0.0001810500000000, 0.0000182700000000, 0.0000305000000000 ] - [ 0.0001755000000000, -0.0010788700000000, 0.0010354000000000 ] - [ 0.0001752600000000, -0.0010784700000000, -0.0009742000000000 ] - [ -0.0001676100000000, -0.0001761400000000, 0.0000301100000000 ] - [ -0.0007757600000000, -0.0010875200000000, 0.0002855000000000 ] - [ -0.0007755800000000, -0.0010874600000000, 0.0001138200000000 ] - [ 0.0010115600000000, -0.0008544700000000, 0.0001988800000000 ] - [ -0.0012729400000000, 0.0009833500000000, 0.0001631200000000 ] - [ -0.0012736600000000, 0.0009839400000000, 0.0002357300000000 ] - [ -0.0012417000000000, 0.0009372000000000, 0.0001990200000000 ] - [ -0.0012168400000000, 0.0000094900000000, -0.0001986000000000 ] - [ 0.0008085400000000, 0.0011312300000000, -0.0006149100000000 ] - [ 0.0008083600000000, 0.0011313100000000, 0.0002161400000000 ] - [ -0.0011792700000000, -0.0017511400000000, -0.0001999200000000 ] - [ -0.0011252200000000, -0.0021771900000000, -0.0006446100000000 ] - [ -0.0011255900000000, -0.0021765800000000, 0.0002438900000000 ] - [ -0.0000612800000000, 0.0019199200000000, 0.0009741500000000 ] - [ -0.0000609500000000, 0.0019199300000000, -0.0008314300000000 ] - [ -0.0004608800000000, -0.0001319800000000, 0.0000710600000000 ] - [ 0.0004464200000000, 0.0003349600000000, 0.0000914800000000 ] - [ 0.0004458300000000, 0.0003351600000000, 0.0000512700000000 ] - [ 0.0004858100000000, 0.0003743400000000, 0.0000709300000000 ] - [ -0.0009638000000000, 0.0017254600000000, -0.0000717200000000 ] - [ -0.0012205200000000, 0.0017780600000000, -0.0007689700000000 ] - [ -0.0012208900000000, 0.0017784900000000, 0.0006259900000000 ] - [ 0.0005685500000000, -0.0017036800000000, -0.0000708100000000 ] - [ 0.0007852900000000, -0.0016179600000000, 0.0000403100000000 ] - [ 0.0007852200000000, -0.0016178200000000, -0.0001824000000000 ] - [ 0.0145496600000000, 0.0467643500000000, 0.0000541200000000 ] - [ 0.0026737000000000, 0.0012649200000000, 0.0006393500000000 ] - [ 0.0026739300000000, 0.0012645700000000, -0.0005351200000000 ] - [ -0.0013687700000000, 0.0000967400000000, 0.0000528800000000 ] - [ -0.0014022300000000, 0.0001332600000000, 0.0000611300000000 ] - [ -0.0014023300000000, 0.0001332900000000, 0.0000435600000000 ] - [ 0.0011088500000000, 0.0009597000000000, 0.0000227000000000 ] - [ 0.0011090900000000, 0.0009597600000000, -0.0001272100000000 ] - [ 0.0011299800000000, 0.0007838000000000, -0.0000531100000000 ] - [ -0.0013176700000000, -0.0010021800000000, -0.0000737500000000 ] - [ -0.0013171500000000, -0.0010022700000000, -0.0000314100000000 ] - [ -0.0012651000000000, -0.0009739000000000, -0.0000524500000000 ] - [ 0.0005228700000000, 0.0004387800000000, -0.0001182000000000 ] - [ -0.0003712400000000, 0.0002523900000000, -0.0001810200000000 ] - [ -0.0003718100000000, 0.0002526200000000, -0.0000565700000000 ] - [ 0.0004789700000000, -0.0003296600000000, -0.0001179400000000 ] - [ 0.0004684800000000, -0.0002375600000000, -0.0001971800000000 ] - [ 0.0004681600000000, -0.0002374700000000, -0.0000388200000000 ] - [ 0.0023072800000000, -0.0016305700000000, -0.0028170400000000 ] - [ 0.0023076200000000, -0.0016308500000000, 0.0030537600000000 ] - [ -0.0001346400000000, 0.0003649500000000, 0.0001176500000000 ] - [ 0.0007065800000000, -0.0006359500000000, 0.0000595800000000 ] - [ 0.0007062000000000, -0.0006356200000000, 0.0001773900000000 ] - [ 0.0006496300000000, -0.0004137900000000, 0.0001186200000000 ]- atom: 97 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0008871300000000, -0.0007943100000000, 0.0026239300000000 ] - [ -0.0001370300000000, -0.0007695300000000, -0.0008390200000000 ] - [ -0.0016306400000000, -0.0008169000000000, -0.0008384300000000 ] - [ 0.0008843300000000, 0.0007936900000000, 0.0004246900000000 ] - [ 0.0009321000000000, 0.0008628500000000, 0.0002718400000000 ] - [ 0.0008324900000000, 0.0007217000000000, 0.0002719000000000 ] - [ -0.0066623800000000, 0.0004478300000000, 0.0083345000000000 ] - [ 0.0052363300000000, 0.0012075400000000, 0.0085872600000000 ] - [ -0.0008914200000000, 0.0007877900000000, -0.0036929600000000 ] - [ 0.0009083900000000, -0.0008237000000000, -0.0001370500000000 ] - [ 0.0008579000000000, -0.0007549500000000, -0.0001371700000000 ] - [ 0.0008819800000000, -0.0007872100000000, -0.0007631100000000 ] - [ 0.0006268200000000, 0.0006309700000000, 0.0048889000000000 ] - [ 0.0011746500000000, -0.0003193900000000, -0.0012478000000000 ] - [ 0.0001185400000000, 0.0015364300000000, -0.0012639400000000 ] - [ -0.0006482700000000, -0.0006121100000000, 0.0004832600000000 ] - [ -0.0007542300000000, -0.0007803500000000, -0.0000163000000000 ] - [ -0.0005413200000000, -0.0004403600000000, -0.0000159500000000 ] - [ 0.0015319400000000, -0.0007432600000000, 0.0004751100000000 ] - [ -0.0002397500000000, -0.0004758700000000, 0.0004744000000000 ] - [ 0.0006465900000000, -0.0006096300000000, -0.0014078500000000 ] - [ -0.0008344100000000, 0.0001667700000000, 0.0004928300000000 ] - [ -0.0004551200000000, 0.0010606100000000, 0.0004935500000000 ] - [ -0.0006421300000000, 0.0006116800000000, -0.0014541900000000 ] - [ 0.0032249000000000, 0.0080122600000000, 0.0136220900000000 ] - [ -0.0079254700000000, -0.0078079500000000, 0.0140135100000000 ] - [ -0.0022108700000000, 0.0003299200000000, -0.0040339500000000 ] - [ 0.0024400900000000, -0.0005360900000000, 0.0000035400000000 ] - [ 0.0019949200000000, -0.0001228100000000, 0.0000030300000000 ] - [ 0.0022146200000000, -0.0003263800000000, -0.0005923000000000 ] - [ -0.0022190900000000, -0.0003330600000000, 0.0006148200000000 ] - [ -0.0028106400000000, -0.0004952700000000, -0.0000153900000000 ] - [ -0.0016245500000000, -0.0001692000000000, -0.0000138100000000 ] - [ 0.0022158800000000, 0.0003333500000000, 0.0004183500000000 ] - [ 0.0024514300000000, 0.0002712400000000, 0.0000789300000000 ] - [ 0.0019800300000000, 0.0003915100000000, 0.0000776400000000 ] - [ -0.0001515600000000, 0.0000650400000000, -0.0000391900000000 ] - [ 0.0001464600000000, -0.0000655300000000, -0.0000372300000000 ] - [ 0.0000003300000000, 0.0000000300000000, -0.0006159800000000 ] - [ -0.0000001500000000, -0.0000020900000000, 0.0024837500000000 ] - [ -0.0003090400000000, 0.0008773900000000, -0.0012026200000000 ] - [ 0.0003049900000000, -0.0008773300000000, -0.0012071800000000 ] - [ 0.0000080500000000, 0.0000050600000000, 0.0020100400000000 ] - [ -0.0004095400000000, -0.0007547100000000, -0.0006682600000000 ] - [ 0.0004190600000000, 0.0007586700000000, -0.0006792300000000 ] - [ -0.0005136500000000, -0.0007305200000000, -0.0002859300000000 ] - [ 0.0005126000000000, 0.0007340900000000, -0.0002889800000000 ] - [ -0.0000002900000000, 0.0000018600000000, -0.0009827400000000 ] - [ -0.0003340800000000, -0.0038652900000000, 0.0020015100000000 ] - [ 0.0006665900000000, 0.0039539400000000, 0.0019865000000000 ] - [ 0.0001690600000000, 0.0000457600000000, 0.0012283800000000 ] - [ -0.0005080300000000, -0.0002487200000000, -0.0002890100000000 ] - [ 0.0001653400000000, 0.0001563300000000, -0.0002886200000000 ] - [ -0.0001703800000000, -0.0000454200000000, 0.0003958900000000 ] - [ 0.0001696800000000, -0.0000461900000000, -0.0007846400000000 ] - [ -0.0000567600000000, -0.0001439000000000, 0.0004214900000000 ] - [ 0.0003963000000000, 0.0000527100000000, 0.0004215300000000 ] - [ -0.0001701000000000, 0.0000455200000000, -0.0004228500000000 ] - [ -0.0002225300000000, -0.0001787900000000, 0.0002938500000000 ] - [ -0.0001174500000000, 0.0002691500000000, 0.0002943000000000 ] - [ 0.0003026500000000, -0.0000483100000000, -0.0032801100000000 ] - [ 0.0005885400000000, -0.0029377000000000, 0.0032609400000000 ] - [ 0.0000151800000000, 0.0028384900000000, 0.0032517800000000 ] - [ -0.0003007600000000, 0.0000454900000000, -0.0005933000000000 ] - [ 0.0000191000000000, -0.0003872900000000, 0.0004599200000000 ] - [ -0.0006201800000000, 0.0004783500000000, 0.0004605800000000 ] - [ 0.0002452800000000, 0.0000037100000000, -0.0001344600000000 ] - [ 0.0003574000000000, 0.0000891700000000, -0.0001339500000000 ] - [ 0.0003013700000000, 0.0000466100000000, 0.0005009700000000 ] - [ -0.0001768800000000, -0.0002242900000000, -0.0002262900000000 ] - [ -0.0004188700000000, 0.0001226800000000, -0.0002358000000000 ] - [ -0.0003000200000000, -0.0000454500000000, 0.0004450400000000 ] - [ 0.0041948000000000, -0.0008242200000000, -0.0002401900000000 ] - [ -0.0016545300000000, -0.0013940800000000, -0.0002426700000000 ] - [ 0.0012726400000000, -0.0011106400000000, 0.0007419900000000 ] - [ -0.0013158900000000, 0.0010684700000000, 0.0001251300000000 ] - [ -0.0012342500000000, 0.0011533700000000, 0.0001250400000000 ] - [ -0.0012752000000000, 0.0011108300000000, 0.0003634900000000 ] - [ 0.0012738800000000, 0.0011175500000000, -0.0024605700000000 ] - [ 0.0018608000000000, 0.0024878900000000, 0.0016769300000000 ] - [ 0.0006901800000000, -0.0002571100000000, 0.0016766200000000 ] - [ -0.0012748800000000, -0.0011147700000000, -0.0005633900000000 ] - [ -0.0012634200000000, -0.0007562800000000, 0.0002078800000000 ] - [ -0.0012885900000000, -0.0014686600000000, 0.0002097100000000 ] - [ 0.0036636900000000, -0.0020507900000000, 0.0017880700000000 ] - [ -0.0047180200000000, 0.0006821900000000, 0.0017694300000000 ] - [ -0.0005200200000000, -0.0006887200000000, 0.0010708500000000 ] - [ 0.0004966200000000, 0.0007227900000000, 0.0000293400000000 ] - [ 0.0005410100000000, 0.0006587600000000, 0.0000287800000000 ] - [ 0.0005187300000000, 0.0006908500000000, 0.0001658200000000 ] - [ -0.0005148900000000, 0.0006909500000000, -0.0026479900000000 ] - [ 0.0007478300000000, -0.0002673000000000, 0.0016651200000000 ] - [ -0.0017797300000000, 0.0016500000000000, 0.0016620900000000 ] - [ 0.0005185800000000, -0.0006936400000000, -0.0002976900000000 ] - [ 0.0003963700000000, -0.0006377700000000, 0.0000677200000000 ] - [ 0.0006411000000000, -0.0007489700000000, 0.0000674200000000 ] - [ 0.0012841100000000, -0.0002039800000000, -0.0678773300000000 ] - [ 0.0013856700000000, 0.0000304800000000, 0.0043703000000000 ] - [ 0.0012853500000000, -0.0011443000000000, 0.0043361600000000 ] - [ -0.0013344000000000, 0.0005576400000000, -0.0001833100000000 ] - [ -0.0013316600000000, 0.0005491700000000, 0.0001703800000000 ] - [ -0.0013378400000000, 0.0005667400000000, 0.0001704300000000 ] - [ 0.0015560900000000, 0.0004857800000000, -0.0003131400000000 ] - [ 0.0011125300000000, 0.0006345600000000, -0.0003119700000000 ] - [ 0.0013348900000000, 0.0005596300000000, 0.0005160900000000 ] - [ -0.0013072900000000, -0.0005812100000000, -0.0001439100000000 ] - [ -0.0013607300000000, -0.0005391300000000, -0.0001441200000000 ] - [ -0.0013337500000000, -0.0005602400000000, 0.0001053500000000 ] - [ -0.0003681300000000, -0.0000024700000000, -0.0004808500000000 ] - [ -0.0005720700000000, 0.0003010900000000, 0.0001679000000000 ] - [ -0.0001732300000000, -0.0003087400000000, 0.0001704200000000 ] - [ 0.0003754000000000, 0.0000032700000000, -0.0002205900000000 ] - [ 0.0003233500000000, 0.0000781000000000, -0.0000649400000000 ] - [ 0.0004273600000000, -0.0000711700000000, -0.0000638700000000 ] - [ -0.0028017600000000, 0.0036661200000000, 0.0017841300000000 ] - [ 0.0020603800000000, -0.0036634200000000, 0.0017814900000000 ] - [ -0.0003727000000000, 0.0000023700000000, 0.0012196200000000 ] - [ 0.0003825800000000, 0.0006854900000000, -0.0000940600000000 ] - [ 0.0003671100000000, -0.0006966500000000, -0.0000938600000000 ] - [ 0.0003748100000000, -0.0000061800000000, 0.0005057400000000 ]- atom: 97 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0008878300000000, -0.0007947500000000, -0.0019730500000000 ] - [ -0.0016307400000000, -0.0008170900000000, 0.0014889200000000 ] - [ -0.0001380700000000, -0.0007696300000000, 0.0014874300000000 ] - [ 0.0008841800000000, 0.0007921500000000, 0.0002209700000000 ] - [ 0.0008339100000000, 0.0007227900000000, 0.0003768700000000 ] - [ 0.0009338400000000, 0.0008612100000000, 0.0003767300000000 ] - [ 0.0052464600000000, 0.0012095900000000, -0.0092444300000000 ] - [ -0.0066536400000000, 0.0004512700000000, -0.0089753000000000 ] - [ -0.0008919800000000, 0.0007864000000000, 0.0030434500000000 ] - [ 0.0008557300000000, -0.0007532700000000, -0.0005101600000000 ] - [ 0.0009097800000000, -0.0008233400000000, -0.0005106200000000 ] - [ 0.0008825900000000, -0.0007872200000000, 0.0001148500000000 ] - [ 0.0006291300000000, 0.0006321600000000, -0.0045542700000000 ] - [ 0.0001190200000000, 0.0015382300000000, 0.0015951300000000 ] - [ 0.0011757000000000, -0.0003179300000000, 0.0015791400000000 ] - [ -0.0006475400000000, -0.0006134400000000, -0.0001520800000000 ] - [ -0.0005410200000000, -0.0004426800000000, 0.0003481800000000 ] - [ -0.0007542500000000, -0.0007810800000000, 0.0003480600000000 ] - [ -0.0002397400000000, -0.0004794800000000, -0.0008048400000000 ] - [ 0.0015313600000000, -0.0007433600000000, -0.0008056300000000 ] - [ 0.0006463200000000, -0.0006108600000000, 0.0010747500000000 ] - [ -0.0004565700000000, 0.0010613100000000, -0.0008255900000000 ] - [ -0.0008346500000000, 0.0001686300000000, -0.0008265100000000 ] - [ -0.0006439700000000, 0.0006134600000000, 0.0011225100000000 ] - [ -0.0079234600000000, -0.0078125700000000, -0.0143862700000000 ] - [ 0.0032202200000000, 0.0080095300000000, -0.0139872500000000 ] - [ -0.0022107100000000, 0.0003301900000000, 0.0036684200000000 ] - [ 0.0019905400000000, -0.0001213300000000, -0.0003710300000000 ] - [ 0.0024428100000000, -0.0005365400000000, -0.0003718300000000 ] - [ 0.0022145400000000, -0.0003265800000000, 0.0002224600000000 ] - [ -0.0022189200000000, -0.0003327100000000, -0.0002458300000000 ] - [ -0.0016260500000000, -0.0001684400000000, 0.0003822500000000 ] - [ -0.0028088200000000, -0.0004953200000000, 0.0003832200000000 ] - [ 0.0022153800000000, 0.0003330600000000, -0.0000482300000000 ] - [ 0.0019809800000000, 0.0003896400000000, 0.0002901900000000 ] - [ 0.0024492400000000, 0.0002732500000000, 0.0002899200000000 ] - [ 0.0001465100000000, -0.0000652100000000, -0.0003956300000000 ] - [ -0.0001518000000000, 0.0000650200000000, -0.0003938400000000 ] - [ -0.0000002500000000, 0.0000001600000000, 0.0001830100000000 ] - [ -0.0000001200000000, -0.0000018100000000, -0.0020511800000000 ] - [ 0.0003051700000000, -0.0008774600000000, 0.0016396300000000 ] - [ -0.0003091100000000, 0.0008774900000000, 0.0016358100000000 ] - [ 0.0000056300000000, 0.0000028600000000, -0.0009942500000000 ] - [ 0.0004211000000000, 0.0007583200000000, 0.0016930100000000 ] - [ -0.0004080100000000, -0.0007547900000000, 0.0016828400000000 ] - [ 0.0005132100000000, 0.0007338100000000, -0.0007278500000000 ] - [ -0.0005135700000000, -0.0007303000000000, -0.0007266300000000 ] - [ -0.0000000600000000, 0.0000016500000000, -0.0000322700000000 ] - [ 0.0006653700000000, 0.0039569800000000, -0.0021160900000000 ] - [ -0.0003354300000000, -0.0038626600000000, -0.0021334200000000 ] - [ 0.0001688300000000, 0.0000478500000000, -0.0013595800000000 ] - [ 0.0001643400000000, 0.0001544300000000, 0.0001573600000000 ] - [ -0.0005087800000000, -0.0002507500000000, 0.0001584900000000 ] - [ -0.0001705600000000, -0.0000470900000000, -0.0005268700000000 ] - [ 0.0001698300000000, -0.0000482700000000, 0.0009157000000000 ] - [ 0.0003973300000000, 0.0000503800000000, -0.0002905200000000 ] - [ -0.0000559200000000, -0.0001459400000000, -0.0002911500000000 ] - [ -0.0001703200000000, 0.0000472600000000, 0.0005538600000000 ] - [ -0.0001179900000000, 0.0002711200000000, -0.0001632600000000 ] - [ -0.0002230500000000, -0.0001770600000000, -0.0001634900000000 ] - [ 0.0003039600000000, -0.0000486800000000, 0.0032187300000000 ] - [ 0.0000160300000000, 0.0028377200000000, -0.0033130500000000 ] - [ 0.0005892800000000, -0.0029380300000000, -0.0033219700000000 ] - [ -0.0003017600000000, 0.0000463700000000, 0.0005327100000000 ] - [ -0.0006211900000000, 0.0004795100000000, -0.0005214600000000 ] - [ 0.0000183800000000, -0.0003862600000000, -0.0005204200000000 ] - [ 0.0003585800000000, 0.0000901900000000, 0.0001953000000000 ] - [ 0.0002461900000000, 0.0000050700000000, 0.0001955900000000 ] - [ 0.0003020200000000, 0.0000476600000000, -0.0004396900000000 ] - [ -0.0004199400000000, 0.0001215400000000, 0.0002960500000000 ] - [ -0.0001778600000000, -0.0002249800000000, 0.0002870200000000 ] - [ -0.0003010100000000, -0.0000464300000000, -0.0003847100000000 ] - [ -0.0016566300000000, -0.0013986300000000, 0.0006425000000000 ] - [ 0.0041921900000000, -0.0008284800000000, 0.0006383000000000 ] - [ 0.0012710600000000, -0.0011144100000000, -0.0003432700000000 ] - [ -0.0012322200000000, 0.0011567900000000, 0.0002731800000000 ] - [ -0.0013139000000000, 0.0010722700000000, 0.0002730100000000 ] - [ -0.0012730400000000, 0.0011145700000000, 0.0000345700000000 ] - [ 0.0012725600000000, 0.0011209700000000, 0.0020623400000000 ] - [ 0.0006876200000000, -0.0002531300000000, -0.0020746700000000 ] - [ 0.0018585700000000, 0.0024913800000000, -0.0020754800000000 ] - [ -0.0012730200000000, -0.0011179900000000, 0.0001642700000000 ] - [ -0.0012861900000000, -0.0014727900000000, -0.0006091200000000 ] - [ -0.0012609000000000, -0.0007600800000000, -0.0006064700000000 ] - [ -0.0047159800000000, 0.0006830000000000, -0.0016269600000000 ] - [ 0.0036656800000000, -0.0020498400000000, -0.0016447900000000 ] - [ -0.0005201900000000, -0.0006874200000000, -0.0009283300000000 ] - [ 0.0005413500000000, 0.0006572700000000, 0.0001134400000000 ] - [ 0.0004970500000000, 0.0007213600000000, 0.0001132500000000 ] - [ 0.0005192800000000, 0.0006893300000000, -0.0000235700000000 ] - [ -0.0005156900000000, 0.0006888900000000, 0.0025046700000000 ] - [ -0.0017800900000000, 0.0016475000000000, -0.0018048300000000 ] - [ 0.0007475000000000, -0.0002693900000000, -0.0018082800000000 ] - [ 0.0005190400000000, -0.0006913100000000, 0.0001552500000000 ] - [ 0.0006412600000000, -0.0007469400000000, -0.0002096500000000 ] - [ 0.0003966300000000, -0.0006358700000000, -0.0002096900000000 ] - [ 0.0012696200000000, -0.0002022000000000, 0.0679819400000000 ] - [ 0.0012870400000000, -0.0011449400000000, -0.0042310800000000 ] - [ 0.0013875200000000, 0.0000295700000000, -0.0042649300000000 ] - [ -0.0013358600000000, 0.0005583200000000, 0.0002884500000000 ] - [ -0.0013390000000000, 0.0005674100000000, -0.0000655500000000 ] - [ -0.0013328400000000, 0.0005497800000000, -0.0000652100000000 ] - [ 0.0011138900000000, 0.0006347500000000, 0.0002068100000000 ] - [ 0.0015574800000000, 0.0004856700000000, 0.0002078100000000 ] - [ 0.0013361700000000, 0.0005598000000000, -0.0006214000000000 ] - [ -0.0013619700000000, -0.0005390300000000, 0.0000389300000000 ] - [ -0.0013085500000000, -0.0005812400000000, 0.0000388500000000 ] - [ -0.0013352100000000, -0.0005600600000000, -0.0002108200000000 ] - [ -0.0003691000000000, -0.0000013400000000, 0.0002438100000000 ] - [ -0.0001740400000000, -0.0003078800000000, -0.0004073400000000 ] - [ -0.0005731700000000, 0.0003021900000000, -0.0004051000000000 ] - [ 0.0003760100000000, 0.0000025800000000, -0.0000154700000000 ] - [ 0.0004278400000000, -0.0000717600000000, -0.0001718900000000 ] - [ 0.0003239200000000, 0.0000774800000000, -0.0001711800000000 ] - [ 0.0020594400000000, -0.0036639100000000, -0.0015449300000000 ] - [ -0.0028024900000000, 0.0036653100000000, -0.0015484100000000 ] - [ -0.0003734100000000, 0.0000010700000000, -0.0009838200000000 ] - [ 0.0003673600000000, -0.0006954500000000, 0.0003308600000000 ] - [ 0.0003832500000000, 0.0006867500000000, 0.0003307400000000 ] - [ 0.0003753700000000, -0.0000048800000000, -0.0002690300000000 ]- atom: 109 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0032305600000000, -0.0016292300000000, 0.0003250500000000 ] - [ 0.0006226600000000, -0.0005485700000000, 0.0002066400000000 ] - [ 0.0006223300000000, -0.0005485700000000, 0.0004425500000000 ] - [ 0.0011914700000000, 0.0011132500000000, 0.0003226500000000 ] - [ 0.0012450700000000, 0.0008421200000000, 0.0003582700000000 ] - [ 0.0012453900000000, 0.0008410500000000, 0.0002900000000000 ] - [ -0.0020407600000000, 0.0005531500000000, -0.0008737500000000 ] - [ -0.0020412200000000, 0.0005540600000000, 0.0002250600000000 ] - [ -0.0014093300000000, 0.0007187900000000, -0.0003248500000000 ] - [ 0.0003856100000000, -0.0008454100000000, -0.0003467000000000 ] - [ 0.0003871600000000, -0.0008466100000000, -0.0003011200000000 ] - [ 0.0005129100000000, -0.0009615700000000, -0.0003245000000000 ] - [ 0.0009010900000000, 0.0015372100000000, 0.0001675100000000 ] - [ 0.0002881100000000, 0.0007742200000000, -0.0011408000000000 ] - [ 0.0002888000000000, 0.0007740000000000, 0.0014724300000000 ] - [ -0.0012646900000000, 0.0013403100000000, 0.0001661700000000 ] - [ -0.0008428200000000, 0.0005591500000000, 0.0012024800000000 ] - [ -0.0008423800000000, 0.0005591500000000, -0.0008705000000000 ] - [ 0.0006709300000000, -0.0014002500000000, -0.0005318500000000 ] - [ 0.0006706300000000, -0.0013988200000000, 0.0002011200000000 ] - [ 0.0005976800000000, -0.0007337300000000, -0.0001669800000000 ] - [ -0.0006777500000000, 0.0005994800000000, -0.0001298200000000 ] - [ -0.0006773600000000, 0.0006002800000000, -0.0002027000000000 ] - [ -0.0006430200000000, 0.0005287400000000, -0.0001661300000000 ] - [ -0.0026644500000000, 0.0010317900000000, -0.0001274400000000 ] - [ -0.0026671300000000, 0.0010324900000000, -0.0002413700000000 ] - [ -0.0022794400000000, 0.0005620700000000, -0.0001830800000000 ] - [ 0.0021260300000000, -0.0002780900000000, -0.0002266400000000 ] - [ 0.0021289400000000, -0.0002790200000000, -0.0001410500000000 ] - [ 0.0021429900000000, -0.0002792900000000, -0.0001848300000000 ] - [ 0.0109695500000000, 0.0019834000000000, 0.0001863000000000 ] - [ -0.0020502600000000, -0.0011434500000000, 0.0016666800000000 ] - [ -0.0020491300000000, -0.0011435800000000, -0.0012985400000000 ] - [ 0.0028105400000000, -0.0015662000000000, 0.0001848700000000 ] - [ 0.0028588600000000, -0.0008268000000000, -0.0006927600000000 ] - [ 0.0028574100000000, -0.0008253000000000, 0.0010609500000000 ] - [ 0.0046016600000000, -0.0023142900000000, 0.0022302500000000 ] - [ 0.0046008700000000, -0.0023127900000000, -0.0026615400000000 ] - [ 0.0005602100000000, -0.0002090900000000, -0.0002164400000000 ] - [ -0.0002765200000000, -0.0000351500000000, 0.0002163700000000 ] - [ -0.0001453400000000, -0.0000410000000000, 0.0002677800000000 ] - [ -0.0001453900000000, -0.0000408600000000, 0.0001651100000000 ] - [ -0.0016323200000000, 0.0004631900000000, 0.0005064900000000 ] - [ -0.0009801700000000, -0.0003018400000000, 0.0003757200000000 ] - [ -0.0009796600000000, -0.0003010200000000, 0.0006389500000000 ] - [ 0.0004056100000000, 0.0000550600000000, -0.0004407200000000 ] - [ 0.0004055400000000, 0.0000550300000000, -0.0005743700000000 ] - [ 0.0003553700000000, -0.0001282700000000, -0.0005075500000000 ] - [ 0.0020713600000000, 0.0006438000000000, -0.0010868800000000 ] - [ 0.0020717100000000, 0.0006442200000000, 0.0009558200000000 ] - [ 0.0006698500000000, 0.0001502600000000, -0.0000653200000000 ] - [ 0.0008111700000000, -0.0003935800000000, 0.0000933800000000 ] - [ 0.0008113000000000, -0.0003935100000000, -0.0002246200000000 ] - [ 0.0002790000000000, -0.0000025900000000, -0.0000656700000000 ] - [ -0.0006820100000000, -0.0002646400000000, 0.0000656700000000 ] - [ -0.0001340800000000, 0.0001046000000000, -0.0001291200000000 ] - [ -0.0001342700000000, 0.0001045400000000, 0.0002601100000000 ] - [ -0.0003158900000000, -0.0000233100000000, 0.0000653900000000 ] - [ -0.0002944100000000, 0.0000482600000000, 0.0001139600000000 ] - [ -0.0002943900000000, 0.0000482700000000, 0.0000167700000000 ] - [ 0.0003957000000000, -0.0002683400000000, -0.0000305900000000 ] - [ 0.0004135500000000, -0.0001311500000000, 0.0000241900000000 ] - [ 0.0004135100000000, -0.0001311200000000, -0.0000853600000000 ] - [ -0.0002848300000000, 0.0002402400000000, -0.0000302900000000 ] - [ -0.0002204900000000, 0.0001037300000000, -0.0000847900000000 ] - [ -0.0002204400000000, 0.0001037200000000, 0.0000240200000000 ] - [ 0.0030074800000000, -0.0032640900000000, 0.0043429800000000 ] - [ 0.0030083300000000, -0.0032641100000000, -0.0042820300000000 ] - [ 0.0000229600000000, 0.0000154800000000, 0.0000306200000000 ] - [ 0.0017465600000000, 0.0040172900000000, -0.0036488500000000 ] - [ 0.0017473600000000, 0.0040173200000000, 0.0037098500000000 ] - [ -0.0005257700000000, -0.0000288900000000, 0.0000301100000000 ] - [ 0.0010152400000000, -0.0012235400000000, 0.0000966600000000 ] - [ 0.0010152000000000, -0.0012234300000000, 0.0003026200000000 ] - [ 0.0010890000000000, -0.0011568200000000, 0.0001995200000000 ] - [ -0.0013852100000000, 0.0010922200000000, 0.0002460100000000 ] - [ -0.0013853700000000, 0.0010921200000000, 0.0001521400000000 ] - [ -0.0013880900000000, 0.0011941600000000, 0.0001991300000000 ] - [ 0.0055853900000000, -0.0002331100000000, -0.0001983400000000 ] - [ 0.0020605600000000, 0.0012186800000000, -0.0002842700000000 ] - [ 0.0020607400000000, 0.0012184700000000, -0.0001138400000000 ] - [ -0.0006648100000000, -0.0008057000000000, -0.0001994300000000 ] - [ -0.0007064100000000, -0.0007594600000000, -0.0000081100000000 ] - [ -0.0007061400000000, -0.0007593600000000, -0.0003908800000000 ] - [ 0.0002647600000000, -0.0038879500000000, -0.0034555600000000 ] - [ 0.0002657500000000, -0.0038881300000000, 0.0035987000000000 ] - [ -0.0007681100000000, -0.0008999700000000, 0.0000712400000000 ] - [ 0.0003412900000000, 0.0002901800000000, 0.0001622000000000 ] - [ 0.0003412200000000, 0.0002902100000000, -0.0000195700000000 ] - [ 0.0002818400000000, 0.0004637300000000, 0.0000711300000000 ] - [ 0.0010845700000000, 0.0032515800000000, -0.0000718700000000 ] - [ -0.0003004700000000, 0.0007173200000000, -0.0002415100000000 ] - [ -0.0003004400000000, 0.0007173200000000, 0.0000983700000000 ] - [ 0.0006591900000000, -0.0005598800000000, -0.0000711100000000 ] - [ 0.0005994000000000, -0.0005434100000000, -0.0000929100000000 ] - [ 0.0005994400000000, -0.0005433300000000, -0.0000492500000000 ] - [ 0.0024053200000000, -0.0014687200000000, 0.0000526800000000 ] - [ 0.0018595500000000, -0.0005602500000000, 0.0002520700000000 ] - [ 0.0018597000000000, -0.0005601600000000, -0.0001468000000000 ] - [ -0.0011190100000000, 0.0004524300000000, 0.0000525700000000 ] - [ -0.0011020700000000, 0.0004631800000000, 0.0000004000000000 ] - [ -0.0011021000000000, 0.0004632300000000, 0.0001046100000000 ] - [ 0.0004346500000000, 0.0032330600000000, 0.0023758800000000 ] - [ 0.0004349500000000, 0.0032331900000000, -0.0024814000000000 ] - [ 0.0008534400000000, 0.0007978300000000, -0.0000526600000000 ] - [ -0.0017360800000000, -0.0002280200000000, -0.0000420200000000 ] - [ -0.0017360300000000, -0.0002281500000000, -0.0000630200000000 ] - [ -0.0018068700000000, -0.0002817400000000, -0.0000526300000000 ] - [ -0.0439393500000000, 0.0038589900000000, -0.0001218200000000 ] - [ -0.0011402900000000, -0.0000583900000000, 0.0001480300000000 ] - [ -0.0011403200000000, -0.0000584200000000, -0.0003852300000000 ] - [ -0.0008488800000000, -0.0021350300000000, -0.0001179100000000 ] - [ -0.0004316200000000, -0.0002054700000000, -0.0002697400000000 ] - [ -0.0004316500000000, -0.0002054800000000, 0.0000338800000000 ] - [ -0.0000033100000000, 0.0000820200000000, 0.0001801600000000 ] - [ -0.0000033300000000, 0.0000820100000000, 0.0000558700000000 ] - [ -0.0002273100000000, 0.0000130500000000, 0.0001179700000000 ] - [ 0.0005132500000000, 0.0000019700000000, 0.0001189000000000 ] - [ 0.0005133400000000, 0.0000019200000000, 0.0001179700000000 ] - [ 0.0004973900000000, 0.0000295100000000, 0.0001183900000000 ]- atom: 109 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0049995700000000, 0.0000691200000000, 0.0003253500000000 ] - [ -0.0023911400000000, -0.0010425200000000, 0.0004398500000000 ] - [ -0.0023901200000000, -0.0010414700000000, 0.0002101800000000 ] - [ 0.0005814400000000, 0.0004933000000000, 0.0003227400000000 ] - [ 0.0005232000000000, 0.0007453500000000, 0.0002939700000000 ] - [ 0.0005239200000000, 0.0007448900000000, 0.0003550600000000 ] - [ 0.0002709500000000, 0.0010322100000000, 0.0002342000000000 ] - [ 0.0002708200000000, 0.0010314700000000, -0.0008830000000000 ] - [ -0.0003610700000000, 0.0008694800000000, -0.0003249200000000 ] - [ 0.0013815400000000, -0.0007402000000000, -0.0003000000000000 ] - [ 0.0013835100000000, -0.0007407400000000, -0.0003470300000000 ] - [ 0.0012542700000000, -0.0006215500000000, -0.0003238900000000 ] - [ 0.0008484600000000, -0.0003131200000000, 0.0001670100000000 ] - [ 0.0010166000000000, 0.0004475800000000, 0.0014739900000000 ] - [ 0.0010173000000000, 0.0004470000000000, -0.0011435900000000 ] - [ -0.0000452200000000, -0.0025706000000000, 0.0001646300000000 ] - [ -0.0004517600000000, -0.0017862900000000, -0.0008726100000000 ] - [ -0.0004523100000000, -0.0017841800000000, 0.0012041800000000 ] - [ 0.0006115200000000, 0.0001773600000000, 0.0002081400000000 ] - [ 0.0006098600000000, 0.0001785300000000, -0.0005389100000000 ] - [ 0.0006926200000000, -0.0004891900000000, -0.0001658700000000 ] - [ -0.0006079200000000, 0.0006263300000000, -0.0002034700000000 ] - [ -0.0006085500000000, 0.0006272600000000, -0.0001286900000000 ] - [ -0.0006429500000000, 0.0006917600000000, -0.0001653600000000 ] - [ -0.0017541800000000, -0.0003776600000000, -0.0002374800000000 ] - [ -0.0017573200000000, -0.0003770800000000, -0.0001320900000000 ] - [ -0.0021475900000000, 0.0000877600000000, -0.0001822000000000 ] - [ 0.0022976000000000, -0.0003750100000000, -0.0001403800000000 ] - [ 0.0023023400000000, -0.0003763300000000, -0.0002278700000000 ] - [ 0.0022826000000000, -0.0003707100000000, -0.0001850900000000 ] - [ -0.0162999200000000, -0.0028792300000000, 0.0001826100000000 ] - [ -0.0023917400000000, 0.0004898200000000, -0.0012967600000000 ] - [ -0.0023889100000000, 0.0004894500000000, 0.0016652500000000 ] - [ 0.0016383800000000, 0.0022280600000000, 0.0001860500000000 ] - [ 0.0015732200000000, 0.0014802800000000, 0.0010632500000000 ] - [ 0.0015720200000000, 0.0014821300000000, -0.0006949600000000 ] - [ -0.0045618200000000, 0.0023195200000000, -0.0026944600000000 ] - [ -0.0045612600000000, 0.0023173900000000, 0.0022596700000000 ] - [ -0.0005603800000000, 0.0002200900000000, -0.0002164400000000 ] - [ 0.0002773700000000, 0.0000380500000000, 0.0002161400000000 ] - [ 0.0001445900000000, 0.0000424200000000, 0.0001642200000000 ] - [ 0.0001448300000000, 0.0000425500000000, 0.0002686700000000 ] - [ 0.0016329200000000, -0.0004761200000000, 0.0005094200000000 ] - [ 0.0009762100000000, 0.0002957600000000, 0.0006324500000000 ] - [ 0.0009749200000000, 0.0002952200000000, 0.0003813400000000 ] - [ -0.0004055700000000, -0.0000541600000000, -0.0005737900000000 ] - [ -0.0004060900000000, -0.0000534700000000, -0.0004404500000000 ] - [ -0.0003562300000000, 0.0001300300000000, -0.0005074400000000 ] - [ -0.0017253200000000, -0.0005397800000000, 0.0009306600000000 ] - [ -0.0017255700000000, -0.0005401600000000, -0.0010611300000000 ] - [ -0.0003311000000000, -0.0000546100000000, -0.0000658800000000 ] - [ -0.0011474700000000, 0.0003018100000000, -0.0002242400000000 ] - [ -0.0011477200000000, 0.0003015100000000, 0.0000938700000000 ] - [ -0.0006175700000000, -0.0000918600000000, -0.0000655700000000 ] - [ 0.0010221500000000, 0.0001696500000000, 0.0000653700000000 ] - [ 0.0004746300000000, -0.0001996300000000, 0.0002596800000000 ] - [ 0.0004744700000000, -0.0001994900000000, -0.0001292800000000 ] - [ -0.0000255700000000, 0.0001165100000000, 0.0000653700000000 ] - [ -0.0000456500000000, 0.0000466800000000, 0.0000155800000000 ] - [ -0.0000454500000000, 0.0000465800000000, 0.0001152100000000 ] - [ 0.0002055600000000, 0.0001724000000000, -0.0000307900000000 ] - [ 0.0001880200000000, 0.0000371100000000, -0.0000847500000000 ] - [ 0.0001879100000000, 0.0000370200000000, 0.0000235800000000 ] - [ -0.0003165800000000, -0.0001492700000000, -0.0000301300000000 ] - [ -0.0003809900000000, -0.0000110600000000, 0.0000242600000000 ] - [ -0.0003808400000000, -0.0000110300000000, -0.0000851500000000 ] - [ -0.0024142000000000, 0.0033917800000000, -0.0043147300000000 ] - [ -0.0024152000000000, 0.0033920900000000, 0.0043763800000000 ] - [ 0.0005829200000000, 0.0000766000000000, 0.0000305200000000 ] - [ -0.0023553200000000, -0.0040877600000000, 0.0036904100000000 ] - [ -0.0023560000000000, -0.0040874700000000, -0.0036304200000000 ] - [ -0.0000788300000000, -0.0000658000000000, 0.0000301200000000 ] - [ 0.0015315700000000, -0.0010019900000000, 0.0003075200000000 ] - [ 0.0015311500000000, -0.0010025000000000, 0.0000911200000000 ] - [ 0.0014597800000000, -0.0010730600000000, 0.0001993100000000 ] - [ -0.0011614300000000, 0.0011351400000000, 0.0001537200000000 ] - [ -0.0011613000000000, 0.0011353800000000, 0.0002443500000000 ] - [ -0.0011589300000000, 0.0010343700000000, 0.0001990100000000 ] - [ -0.0030603300000000, 0.0024842400000000, -0.0002001100000000 ] - [ 0.0004930200000000, 0.0010091500000000, -0.0001106100000000 ] - [ 0.0004931800000000, 0.0010087300000000, -0.0002876300000000 ] - [ -0.0018861000000000, -0.0014212300000000, -0.0001997700000000 ] - [ -0.0018442000000000, -0.0014675700000000, -0.0003902600000000 ] - [ -0.0018442500000000, -0.0014672500000000, -0.0000087000000000 ] - [ -0.0013168100000000, 0.0024964800000000, 0.0035836500000000 ] - [ -0.0013179200000000, 0.0024967500000000, -0.0034412400000000 ] - [ -0.0002737400000000, -0.0004770600000000, 0.0000712800000000 ] - [ 0.0007017000000000, 0.0010887500000000, -0.0000148300000000 ] - [ 0.0007016500000000, 0.0010889600000000, 0.0001570400000000 ] - [ 0.0007582800000000, 0.0009176000000000, 0.0000711800000000 ] - [ -0.0021372100000000, -0.0019077500000000, -0.0000711900000000 ] - [ -0.0007341900000000, 0.0006612900000000, 0.0000988200000000 ] - [ -0.0007343700000000, 0.0006614700000000, -0.0002419500000000 ] - [ 0.0003774300000000, -0.0008207800000000, -0.0000713700000000 ] - [ 0.0004378500000000, -0.0008356400000000, -0.0000498200000000 ] - [ 0.0004380100000000, -0.0008354700000000, -0.0000921900000000 ] - [ 0.0002694700000000, 0.0003358200000000, 0.0000523100000000 ] - [ 0.0008094100000000, -0.0005589900000000, -0.0001470100000000 ] - [ 0.0008092000000000, -0.0005591400000000, 0.0002522200000000 ] - [ -0.0015519800000000, 0.0006665900000000, 0.0000525900000000 ] - [ -0.0015692700000000, 0.0006563200000000, 0.0001043100000000 ] - [ -0.0015693400000000, 0.0006561500000000, 0.0000006800000000 ] - [ 0.0022625200000000, -0.0021125200000000, -0.0024861600000000 ] - [ 0.0022622700000000, -0.0021127600000000, 0.0023811500000000 ] - [ 0.0018200400000000, 0.0003236900000000, -0.0000527800000000 ] - [ -0.0009391400000000, -0.0008935000000000, -0.0000579800000000 ] - [ -0.0009391000000000, -0.0008935400000000, -0.0000471600000000 ] - [ -0.0008661100000000, -0.0008355000000000, -0.0000529100000000 ] - [ 0.0435532500000000, -0.0036791700000000, -0.0001153900000000 ] - [ 0.0003925300000000, 0.0000523300000000, -0.0003993000000000 ] - [ 0.0003925500000000, 0.0000525200000000, 0.0001624400000000 ] - [ 0.0016077900000000, 0.0020635100000000, -0.0001182400000000 ] - [ 0.0011838100000000, 0.0002130600000000, 0.0000338400000000 ] - [ 0.0011836500000000, 0.0002130700000000, -0.0002697100000000 ] - [ -0.0007478000000000, -0.0000786000000000, 0.0000539600000000 ] - [ -0.0007477500000000, -0.0000785900000000, 0.0001820600000000 ] - [ -0.0005225000000000, -0.0000058800000000, 0.0001178600000000 ] - [ 0.0002366700000000, -0.0000096500000000, 0.0001182900000000 ] - [ 0.0002368700000000, -0.0000093500000000, 0.0001186400000000 ] - [ 0.0002524500000000, -0.0000361900000000, 0.0001184000000000 ]- atom: 109 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0025600100000000, 0.0140892100000000, 0.0003263100000000 ] - [ -0.0008307500000000, -0.0005188000000000, 0.0020613600000000 ] - [ -0.0008315300000000, -0.0005184900000000, -0.0014115600000000 ] - [ 0.0008820600000000, -0.0021307700000000, 0.0003233300000000 ] - [ 0.0009774100000000, 0.0002119200000000, -0.0001556800000000 ] - [ 0.0009769800000000, 0.0002112900000000, 0.0008034600000000 ] - [ -0.0009601100000000, 0.0012359000000000, -0.0004539100000000 ] - [ -0.0009606000000000, 0.0012360100000000, -0.0001951900000000 ] - [ -0.0008966100000000, 0.0013171400000000, -0.0003246500000000 ] - [ 0.0007727400000000, -0.0013171800000000, -0.0002245800000000 ] - [ 0.0007738800000000, -0.0013172300000000, -0.0004233700000000 ] - [ 0.0007693100000000, -0.0011347600000000, -0.0003244100000000 ] - [ 0.0026657200000000, 0.0052890100000000, 0.0001669400000000 ] - [ 0.0006726000000000, 0.0030421400000000, 0.0003168000000000 ] - [ 0.0006731100000000, 0.0030408400000000, 0.0000150500000000 ] - [ 0.0016699000000000, -0.0009067400000000, 0.0001658200000000 ] - [ -0.0004756700000000, -0.0007012900000000, -0.0005717200000000 ] - [ -0.0004758800000000, -0.0007001400000000, 0.0009033900000000 ] - [ -0.0002604100000000, -0.0015509300000000, -0.0004294900000000 ] - [ -0.0002609400000000, -0.0015498400000000, 0.0000986200000000 ] - [ 0.0004398900000000, -0.0008743200000000, -0.0001660900000000 ] - [ -0.0006637100000000, -0.0003823100000000, -0.0001052000000000 ] - [ -0.0006641600000000, -0.0003820300000000, -0.0002269800000000 ] - [ -0.0005855100000000, -0.0000746400000000, -0.0001660000000000 ] - [ -0.0010635700000000, -0.0002422400000000, -0.0001488700000000 ] - [ -0.0010654600000000, -0.0002414800000000, -0.0002198700000000 ] - [ -0.0020524800000000, 0.0001595800000000, -0.0001832900000000 ] - [ 0.0024321200000000, -0.0011058300000000, -0.0002305300000000 ] - [ 0.0024346300000000, -0.0011065300000000, -0.0001375500000000 ] - [ 0.0022286900000000, -0.0008928400000000, -0.0001847900000000 ] - [ -0.0045198500000000, 0.0045285900000000, 0.0001849100000000 ] - [ -0.0027886100000000, 0.0020827700000000, 0.0005609300000000 ] - [ -0.0027877000000000, 0.0020817300000000, -0.0001928800000000 ] - [ -0.0005291100000000, -0.0014740500000000, 0.0001849200000000 ] - [ 0.0024308400000000, -0.0004624300000000, -0.0010441200000000 ] - [ 0.0024296500000000, -0.0004607400000000, 0.0014122300000000 ] - [ -0.0019048200000000, 0.0120211500000000, -0.0082856100000000 ] - [ -0.0019033900000000, 0.0120134500000000, 0.0078452200000000 ] - [ 0.0000786700000000, 0.0006657400000000, -0.0002164900000000 ] - [ 0.0000168400000000, -0.0003868800000000, 0.0002163400000000 ] - [ 0.0000959900000000, -0.0004040800000000, 0.0002278700000000 ] - [ 0.0000960700000000, -0.0004040500000000, 0.0002050700000000 ] - [ -0.0001846500000000, 0.0010519600000000, 0.0005074200000000 ] - [ -0.0000144400000000, 0.0006377100000000, 0.0003581100000000 ] - [ -0.0000146700000000, 0.0006376800000000, 0.0006563600000000 ] - [ -0.0001725000000000, -0.0015539900000000, -0.0007912100000000 ] - [ -0.0001733800000000, -0.0015529800000000, -0.0002233800000000 ] - [ 0.0001908800000000, -0.0007990100000000, -0.0005076800000000 ] - [ 0.0003361300000000, -0.0005089500000000, -0.0000137100000000 ] - [ 0.0003362000000000, -0.0005089800000000, -0.0001173500000000 ] - [ 0.0000428600000000, -0.0003104500000000, -0.0000656200000000 ] - [ -0.0005805600000000, 0.0000161800000000, -0.0002122500000000 ] - [ -0.0005805500000000, 0.0000160200000000, 0.0000813700000000 ] - [ -0.0002247200000000, -0.0002393900000000, -0.0000655900000000 ] - [ 0.0018918700000000, 0.0015909600000000, 0.0000649500000000 ] - [ 0.0001680600000000, 0.0004007100000000, -0.0003227800000000 ] - [ 0.0001676500000000, 0.0004006000000000, 0.0004535000000000 ] - [ -0.0000074900000000, 0.0009287700000000, 0.0000654700000000 ] - [ -0.0002746200000000, 0.0005943200000000, 0.0000436500000000 ] - [ -0.0002746600000000, 0.0005941600000000, 0.0000869200000000 ] - [ 0.0002102900000000, 0.0005362900000000, -0.0000305700000000 ] - [ 0.0001595900000000, 0.0004261500000000, -0.0001426300000000 ] - [ 0.0001595200000000, 0.0004262000000000, 0.0000815000000000 ] - [ -0.0000476900000000, 0.0007323600000000, -0.0000303600000000 ] - [ -0.0002445600000000, 0.0005254100000000, -0.0000813500000000 ] - [ -0.0002445900000000, 0.0005253800000000, 0.0000206000000000 ] - [ -0.0022587800000000, -0.0010647500000000, -0.0014895600000000 ] - [ -0.0022597700000000, -0.0010648500000000, 0.0015511000000000 ] - [ 0.0003224800000000, -0.0006767200000000, 0.0000306800000000 ] - [ 0.0039743300000000, 0.0018863100000000, -0.0036575100000000 ] - [ 0.0039758500000000, 0.0018870100000000, 0.0037184900000000 ] - [ -0.0002972300000000, -0.0006956600000000, 0.0000302600000000 ] - [ 0.0002291700000000, 0.0000258400000000, 0.0021560100000000 ] - [ 0.0002297800000000, 0.0000260100000000, -0.0017568200000000 ] - [ 0.0010431600000000, -0.0007614300000000, 0.0001994800000000 ] - [ -0.0014300000000000, 0.0017656700000000, -0.0000703200000000 ] - [ -0.0014299000000000, 0.0017658400000000, 0.0004687600000000 ] - [ -0.0012936400000000, 0.0016092200000000, 0.0001992000000000 ] - [ 0.0025411600000000, 0.0002269400000000, -0.0001987800000000 ] - [ 0.0012128300000000, 0.0005885100000000, -0.0000512100000000 ] - [ 0.0012128100000000, 0.0005882600000000, -0.0003468300000000 ] - [ -0.0005612000000000, -0.0009982000000000, -0.0001996900000000 ] - [ -0.0008764300000000, -0.0009363900000000, 0.0000318900000000 ] - [ -0.0008762500000000, -0.0009362000000000, -0.0004309100000000 ] - [ -0.0037798800000000, 0.0002582500000000, 0.0037475100000000 ] - [ -0.0037807900000000, 0.0002591600000000, -0.0036055100000000 ] - [ -0.0006325000000000, -0.0011991100000000, 0.0000713400000000 ] - [ 0.0001722600000000, 0.0011974000000000, -0.0006403300000000 ] - [ 0.0001721400000000, 0.0011975800000000, 0.0007828800000000 ] - [ 0.0005280200000000, 0.0009279000000000, 0.0000712200000000 ] - [ -0.0000797500000000, 0.0006467900000000, -0.0000716800000000 ] - [ -0.0001429500000000, 0.0004272700000000, -0.0003571300000000 ] - [ -0.0001429000000000, 0.0004274000000000, 0.0002140300000000 ] - [ 0.0006943800000000, -0.0000915800000000, -0.0000710500000000 ] - [ 0.0005784400000000, -0.0003616100000000, 0.0000200100000000 ] - [ 0.0005784900000000, -0.0003616100000000, -0.0001621400000000 ] - [ 0.0011051800000000, -0.0009955600000000, 0.0000526000000000 ] - [ 0.0009515800000000, -0.0008119200000000, -0.0002508100000000 ] - [ 0.0009515400000000, -0.0008119100000000, 0.0003559200000000 ] - [ -0.0013859800000000, 0.0008879900000000, 0.0000525800000000 ] - [ -0.0013393800000000, 0.0007947400000000, 0.0001274100000000 ] - [ -0.0013394200000000, 0.0007947100000000, -0.0000222500000000 ] - [ 0.0047785300000000, 0.0021836100000000, 0.0035937100000000 ] - [ 0.0047786800000000, 0.0021840100000000, -0.0036992900000000 ] - [ 0.0015240600000000, 0.0002004100000000, -0.0000525000000000 ] - [ -0.0010821700000000, 0.0000723100000000, -0.0007453900000000 ] - [ -0.0010821700000000, 0.0000723100000000, 0.0006402300000000 ] - [ -0.0015205500000000, -0.0001489200000000, -0.0000526000000000 ] - [ 0.0034241300000000, -0.0724149000000000, -0.0001119300000000 ] - [ -0.0004308000000000, -0.0010969300000000, 0.0000697300000000 ] - [ -0.0004307400000000, -0.0010969100000000, -0.0003066600000000 ] - [ -0.0017487500000000, 0.0157261000000000, -0.0001185600000000 ] - [ 0.0001677800000000, -0.0002885500000000, 0.0002284700000000 ] - [ 0.0001677200000000, -0.0002885900000000, -0.0004643900000000 ] - [ -0.0004558100000000, 0.0002090000000000, 0.0001952800000000 ] - [ -0.0004558500000000, 0.0002088800000000, 0.0000407600000000 ] - [ -0.0003857700000000, 0.0002175400000000, 0.0001179700000000 ] - [ 0.0003704500000000, 0.0004429000000000, 0.0001213300000000 ] - [ 0.0003705200000000, 0.0004430100000000, 0.0001155500000000 ] - [ 0.0003437200000000, 0.0004005100000000, 0.0001183800000000 ]- atom: 109 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0008999700000000, -0.0165505000000000, 0.0003230300000000 ] - [ -0.0009317600000000, -0.0010843500000000, -0.0014279000000000 ] - [ -0.0009322800000000, -0.0010850600000000, 0.0020775800000000 ] - [ 0.0008816900000000, 0.0037202800000000, 0.0003227600000000 ] - [ 0.0007889900000000, 0.0013831200000000, 0.0007985600000000 ] - [ 0.0007893800000000, 0.0013822500000000, -0.0001503400000000 ] - [ -0.0008070900000000, 0.0003387600000000, -0.0001965700000000 ] - [ -0.0008075800000000, 0.0003393100000000, -0.0004517400000000 ] - [ -0.0008706400000000, 0.0002594300000000, -0.0003243100000000 ] - [ 0.0009905700000000, -0.0002597100000000, -0.0004232100000000 ] - [ 0.0009913800000000, -0.0002606400000000, -0.0002250700000000 ] - [ 0.0009941400000000, -0.0004425500000000, -0.0003244300000000 ] - [ -0.0013715900000000, -0.0041040000000000, 0.0001662100000000 ] - [ 0.0006286100000000, -0.0018370000000000, 0.0000102300000000 ] - [ 0.0006289600000000, -0.0018364600000000, 0.0003222400000000 ] - [ -0.0029566100000000, -0.0002968000000000, 0.0001656000000000 ] - [ -0.0008235900000000, -0.0005083800000000, 0.0009083700000000 ] - [ -0.0008231500000000, -0.0005081000000000, -0.0005760000000000 ] - [ 0.0015641400000000, 0.0003270000000000, 0.0001006600000000 ] - [ 0.0015643900000000, 0.0003278800000000, -0.0004319500000000 ] - [ 0.0008571900000000, -0.0003495100000000, -0.0001666700000000 ] - [ -0.0006335400000000, 0.0016125600000000, -0.0002256800000000 ] - [ -0.0006329100000000, 0.0016128100000000, -0.0001069100000000 ] - [ -0.0007082700000000, 0.0013000000000000, -0.0001662700000000 ] - [ -0.0033797200000000, 0.0008964800000000, -0.0002212100000000 ] - [ -0.0033819700000000, 0.0008973500000000, -0.0001473600000000 ] - [ -0.0023801400000000, 0.0004913500000000, -0.0001831100000000 ] - [ 0.0020023200000000, 0.0004535700000000, -0.0001362400000000 ] - [ 0.0020047000000000, 0.0004523500000000, -0.0002315000000000 ] - [ 0.0022037700000000, 0.0002444000000000, -0.0001845000000000 ] - [ 0.0001085100000000, -0.0052127800000000, 0.0001841400000000 ] - [ -0.0016511800000000, -0.0027667600000000, -0.0001943400000000 ] - [ -0.0016506500000000, -0.0027670400000000, 0.0005626400000000 ] - [ 0.0049473200000000, 0.0021529100000000, 0.0001850100000000 ] - [ 0.0020028600000000, 0.0011297500000000, 0.0014139200000000 ] - [ 0.0020019900000000, 0.0011308100000000, -0.0010450400000000 ] - [ 0.0018029400000000, -0.0116436000000000, 0.0072845100000000 ] - [ 0.0018015000000000, -0.0116363300000000, -0.0077102600000000 ] - [ -0.0000803300000000, -0.0006502200000000, -0.0002164200000000 ] - [ -0.0000167800000000, 0.0003882400000000, 0.0002163700000000 ] - [ -0.0000972500000000, 0.0004054500000000, 0.0002054400000000 ] - [ -0.0000973100000000, 0.0004054600000000, 0.0002274400000000 ] - [ 0.0001838300000000, -0.0010523700000000, 0.0005078600000000 ] - [ 0.0000144100000000, -0.0006390800000000, 0.0006587400000000 ] - [ 0.0000142300000000, -0.0006389100000000, 0.0003556900000000 ] - [ 0.0001759200000000, 0.0015656900000000, -0.0002167700000000 ] - [ 0.0001763400000000, 0.0015649700000000, -0.0007980400000000 ] - [ -0.0001915200000000, 0.0008028500000000, -0.0005072500000000 ] - [ -0.0000000500000000, 0.0006046100000000, -0.0001112300000000 ] - [ -0.0000001200000000, 0.0006044300000000, -0.0000193400000000 ] - [ 0.0002973000000000, 0.0004067600000000, -0.0000653400000000 ] - [ 0.0002471800000000, -0.0001147200000000, 0.0000803200000000 ] - [ 0.0002473400000000, -0.0001145300000000, -0.0002111900000000 ] - [ -0.0001125500000000, 0.0001449400000000, -0.0000654300000000 ] - [ -0.0015801100000000, -0.0017016500000000, 0.0000659100000000 ] - [ 0.0001701500000000, -0.0004942900000000, 0.0004578400000000 ] - [ 0.0001703900000000, -0.0004940200000000, -0.0003269500000000 ] - [ -0.0003263900000000, -0.0008381100000000, 0.0000653800000000 ] - [ -0.0000638900000000, -0.0005042500000000, 0.0000899500000000 ] - [ -0.0000638600000000, -0.0005041600000000, 0.0000408700000000 ] - [ 0.0003946400000000, -0.0006318900000000, -0.0000307000000000 ] - [ 0.0004453100000000, -0.0005216200000000, 0.0000836700000000 ] - [ 0.0004453200000000, -0.0005216100000000, -0.0001448800000000 ] - [ -0.0005578300000000, -0.0006421600000000, -0.0000302300000000 ] - [ -0.0003584800000000, -0.0004339100000000, 0.0000219000000000 ] - [ -0.0003583300000000, -0.0004341300000000, -0.0000826400000000 ] - [ 0.0028766700000000, 0.0011435400000000, 0.0015662000000000 ] - [ 0.0028775800000000, 0.0011438200000000, -0.0015053600000000 ] - [ 0.0002850000000000, 0.0007726900000000, 0.0000306300000000 ] - [ -0.0045609500000000, -0.0019959400000000, 0.0037044900000000 ] - [ -0.0045624900000000, -0.0019965600000000, -0.0036445200000000 ] - [ -0.0003106300000000, 0.0006015200000000, 0.0000301500000000 ] - [ 0.0023335900000000, -0.0022690100000000, -0.0017887500000000 ] - [ 0.0023326900000000, -0.0022691300000000, 0.0021874300000000 ] - [ 0.0015061200000000, -0.0014663200000000, 0.0001994400000000 ] - [ -0.0011198000000000, 0.0004595400000000, 0.0004645700000000 ] - [ -0.0011196500000000, 0.0004593400000000, -0.0000666500000000 ] - [ -0.0012549600000000, 0.0006158500000000, 0.0001988700000000 ] - [ 0.0000118600000000, 0.0020042000000000, -0.0001995900000000 ] - [ 0.0013366300000000, 0.0016453200000000, -0.0003496200000000 ] - [ 0.0013368200000000, 0.0016451700000000, -0.0000486800000000 ] - [ -0.0019871500000000, -0.0012334600000000, -0.0001996100000000 ] - [ -0.0016734900000000, -0.0012940200000000, -0.0004324900000000 ] - [ -0.0016735300000000, -0.0012940600000000, 0.0000336000000000 ] - [ 0.0027832700000000, -0.0016355300000000, -0.0036408600000000 ] - [ 0.0027841900000000, -0.0016363000000000, 0.0037844100000000 ] - [ -0.0004083300000000, -0.0001719100000000, 0.0000713100000000 ] - [ 0.0008636600000000, 0.0001755100000000, 0.0007792900000000 ] - [ 0.0008638800000000, 0.0001755500000000, -0.0006368400000000 ] - [ 0.0005093000000000, 0.0004452000000000, 0.0000711000000000 ] - [ -0.0009567600000000, 0.0007481800000000, -0.0000716100000000 ] - [ -0.0008981600000000, 0.0009572800000000, 0.0002164700000000 ] - [ -0.0008983100000000, 0.0009572800000000, -0.0003595900000000 ] - [ 0.0003449100000000, -0.0012921000000000, -0.0000711800000000 ] - [ 0.0004603600000000, -0.0010218700000000, -0.0001615300000000 ] - [ 0.0004602800000000, -0.0010217400000000, 0.0000194100000000 ] - [ 0.0015674500000000, -0.0001132700000000, 0.0000524500000000 ] - [ 0.0017233400000000, -0.0003028500000000, 0.0003593700000000 ] - [ 0.0017235200000000, -0.0003028500000000, -0.0002540800000000 ] - [ -0.0012860400000000, 0.0002269400000000, 0.0000524400000000 ] - [ -0.0013321900000000, 0.0003199600000000, -0.0000220400000000 ] - [ -0.0013323000000000, 0.0003199100000000, 0.0001270300000000 ] - [ -0.0021545800000000, -0.0010754200000000, -0.0037353900000000 ] - [ -0.0021546400000000, -0.0010758300000000, 0.0036305900000000 ] - [ 0.0011477800000000, 0.0009259100000000, -0.0000527600000000 ] - [ -0.0015846100000000, -0.0011971200000000, 0.0006368800000000 ] - [ -0.0015844600000000, -0.0011971400000000, -0.0007419600000000 ] - [ -0.0011482300000000, -0.0009757000000000, -0.0000527900000000 ] - [ -0.0041144300000000, 0.0724766800000000, -0.0001249500000000 ] - [ -0.0003173900000000, 0.0010970400000000, -0.0003344500000000 ] - [ -0.0003175200000000, 0.0010969500000000, 0.0000973300000000 ] - [ 0.0024473500000000, -0.0154722200000000, -0.0001174900000000 ] - [ 0.0005836500000000, 0.0002805000000000, -0.0004760700000000 ] - [ 0.0005835700000000, 0.0002805800000000, 0.0002402600000000 ] - [ -0.0002926000000000, -0.0002000500000000, 0.0000408500000000 ] - [ -0.0002924000000000, -0.0002001000000000, 0.0001951900000000 ] - [ -0.0003637000000000, -0.0002100000000000, 0.0001179800000000 ] - [ 0.0003793000000000, -0.0004537300000000, 0.0001149600000000 ] - [ 0.0003793200000000, -0.0004536400000000, 0.0001219200000000 ] - [ 0.0004070100000000, -0.0004111400000000, 0.0001184100000000 ]- atom: 109 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0008974200000000, -0.0007441200000000, 0.0059091600000000 ] - [ -0.0010476800000000, 0.0004067100000000, -0.0005749000000000 ] - [ -0.0007288800000000, -0.0019832000000000, -0.0005841100000000 ] - [ 0.0008896400000000, 0.0007956400000000, 0.0001959600000000 ] - [ 0.0009228400000000, 0.0006282800000000, 0.0002852300000000 ] - [ 0.0008484000000000, 0.0009591300000000, 0.0002850800000000 ] - [ -0.0008958700000000, 0.0006502100000000, -0.0000328100000000 ] - [ -0.0008816400000000, 0.0009302000000000, -0.0000310900000000 ] - [ -0.0008865800000000, 0.0007925900000000, -0.0008979800000000 ] - [ 0.0008840600000000, -0.0005205800000000, -0.0001763000000000 ] - [ 0.0008895900000000, -0.0010645700000000, -0.0001777400000000 ] - [ 0.0008858900000000, -0.0007896800000000, -0.0006071800000000 ] - [ 0.0006393500000000, 0.0006233700000000, 0.0039841300000000 ] - [ -0.0003357900000000, 0.0008658100000000, -0.0010644700000000 ] - [ 0.0016194000000000, 0.0003596300000000, -0.0010716300000000 ] - [ -0.0006449000000000, -0.0006152400000000, 0.0018994300000000 ] - [ -0.0005604600000000, -0.0014161300000000, -0.0006736900000000 ] - [ -0.0007288700000000, 0.0001895200000000, -0.0006722600000000 ] - [ 0.0002851700000000, -0.0012102900000000, 0.0001790800000000 ] - [ 0.0009992500000000, -0.0000123200000000, 0.0001847700000000 ] - [ 0.0006433800000000, -0.0006117500000000, -0.0005639300000000 ] - [ -0.0006242200000000, 0.0006302200000000, -0.0000953300000000 ] - [ -0.0006568600000000, 0.0005955400000000, -0.0000931000000000 ] - [ -0.0006391600000000, 0.0006103900000000, -0.0003160300000000 ] - [ -0.0018471100000000, -0.0001915300000000, 0.0000477700000000 ] - [ -0.0025655900000000, 0.0008426100000000, 0.0000479300000000 ] - [ -0.0022084400000000, 0.0003231000000000, -0.0004783800000000 ] - [ 0.0022041700000000, -0.0003434100000000, -0.0001502700000000 ] - [ 0.0022159100000000, -0.0003090500000000, -0.0001500500000000 ] - [ 0.0022077000000000, -0.0003224000000000, -0.0002914200000000 ] - [ -0.0021858200000000, -0.0003050500000000, 0.0032798100000000 ] - [ -0.0011873700000000, 0.0002410000000000, -0.0011602800000000 ] - [ -0.0032237600000000, -0.0008915200000000, -0.0011676500000000 ] - [ 0.0022112900000000, 0.0003233700000000, 0.0022405100000000 ] - [ 0.0025780500000000, -0.0007157500000000, -0.0008445200000000 ] - [ 0.0018418200000000, 0.0013583800000000, -0.0008419500000000 ] - [ 0.0019613100000000, -0.0070684600000000, 0.0127805200000000 ] - [ -0.0020738800000000, 0.0076475200000000, 0.0132982800000000 ] - [ 0.0000042100000000, -0.0000144500000000, -0.0026449200000000 ] - [ 0.0000000200000000, 0.0000006300000000, 0.0003632700000000 ] - [ 0.0000059300000000, 0.0000225400000000, 0.0001369500000000 ] - [ -0.0000063600000000, -0.0000228900000000, 0.0001352000000000 ] - [ -0.0000003300000000, 0.0000022400000000, 0.0011196300000000 ] - [ 0.0000447800000000, 0.0000385300000000, 0.0001945600000000 ] - [ -0.0000439900000000, -0.0000381100000000, 0.0001935700000000 ] - [ -0.0000494600000000, -0.0001290100000000, -0.0003999300000000 ] - [ 0.0000474200000000, 0.0001262100000000, -0.0003993000000000 ] - [ -0.0000015300000000, 0.0000014500000000, -0.0008030100000000 ] - [ 0.0000558300000000, 0.0003126400000000, -0.0004461300000000 ] - [ 0.0002782300000000, -0.0002203000000000, -0.0004506300000000 ] - [ 0.0001680600000000, 0.0000479600000000, 0.0004478400000000 ] - [ 0.0003466200000000, -0.0005162800000000, -0.0002376000000000 ] - [ -0.0006819900000000, 0.0004207200000000, -0.0002376300000000 ] - [ -0.0001677200000000, -0.0000472200000000, 0.0002504700000000 ] - [ 0.0001759000000000, -0.0000410200000000, -0.0003233900000000 ] - [ 0.0002083900000000, -0.0002616200000000, 0.0003775800000000 ] - [ 0.0001280300000000, 0.0001659400000000, 0.0003786500000000 ] - [ -0.0001675000000000, 0.0000481300000000, -0.0000486300000000 ] - [ -0.0001035600000000, 0.0000151800000000, 0.0000980500000000 ] - [ -0.0002322100000000, 0.0000813300000000, 0.0000988900000000 ] - [ 0.0003001600000000, -0.0000461400000000, -0.0003123500000000 ] - [ 0.0003001600000000, -0.0001170200000000, 0.0000583600000000 ] - [ 0.0003005700000000, 0.0000253800000000, 0.0000589100000000 ] - [ -0.0002999800000000, 0.0000461400000000, -0.0001998100000000 ] - [ -0.0003380800000000, -0.0000337100000000, 0.0000594600000000 ] - [ -0.0002632000000000, 0.0001255500000000, 0.0000591700000000 ] - [ 0.0036180500000000, -0.0013297000000000, 0.0013161600000000 ] - [ -0.0030447000000000, 0.0014221300000000, 0.0013121100000000 ] - [ 0.0002987900000000, 0.0000475900000000, 0.0009341300000000 ] - [ -0.0042558200000000, -0.0037187500000000, 0.0016693100000000 ] - [ 0.0036931500000000, 0.0036452900000000, 0.0016704800000000 ] - [ -0.0002986400000000, -0.0000436400000000, 0.0007726900000000 ] - [ 0.0014341000000000, -0.0012192100000000, -0.0002844100000000 ] - [ 0.0011126300000000, -0.0010037100000000, -0.0002997000000000 ] - [ 0.0012757600000000, -0.0011138300000000, 0.0005014200000000 ] - [ -0.0012676200000000, 0.0010726100000000, 0.0001689700000000 ] - [ -0.0012837100000000, 0.0011548900000000, 0.0001689700000000 ] - [ -0.0012757300000000, 0.0011132800000000, 0.0003053200000000 ] - [ 0.0012810300000000, 0.0011121000000000, -0.0004418400000000 ] - [ 0.0008445200000000, 0.0009497400000000, 0.0000657800000000 ] - [ 0.0017061000000000, 0.0012786700000000, 0.0000667100000000 ] - [ -0.0012744300000000, -0.0011133900000000, -0.0007203800000000 ] - [ -0.0009525800000000, -0.0009077600000000, 0.0001101000000000 ] - [ -0.0015984100000000, -0.0013179100000000, 0.0001104600000000 ] - [ -0.0029095200000000, 0.0023098000000000, 0.0022726700000000 ] - [ 0.0019027000000000, -0.0037278200000000, 0.0022800700000000 ] - [ -0.0005185000000000, -0.0006898600000000, 0.0011500100000000 ] - [ 0.0003936800000000, 0.0006872700000000, -0.0001769600000000 ] - [ 0.0006473400000000, 0.0006899300000000, -0.0001774700000000 ] - [ 0.0005200700000000, 0.0006887000000000, 0.0003030200000000 ] - [ -0.0005178800000000, 0.0006914200000000, -0.0003948600000000 ] - [ -0.0007609400000000, 0.0005558500000000, 0.0001472400000000 ] - [ -0.0002787500000000, 0.0008218400000000, 0.0001473600000000 ] - [ 0.0005197100000000, -0.0006884500000000, -0.0001911500000000 ] - [ 0.0005484300000000, -0.0005684600000000, -0.0000148400000000 ] - [ 0.0004904900000000, -0.0008087200000000, -0.0000152500000000 ] - [ 0.0013341800000000, -0.0005583200000000, -0.0003097700000000 ] - [ 0.0016208400000000, -0.0006220300000000, 0.0003402100000000 ] - [ 0.0010512700000000, -0.0004975400000000, 0.0003401700000000 ] - [ -0.0013353200000000, 0.0005599500000000, -0.0000498400000000 ] - [ -0.0013354800000000, 0.0006391200000000, 0.0001059600000000 ] - [ -0.0013351600000000, 0.0004806900000000, 0.0001058900000000 ] - [ 0.0035741800000000, 0.0034642400000000, 0.0016102800000000 ] - [ -0.0009236000000000, -0.0023883900000000, 0.0016137100000000 ] - [ 0.0013348800000000, 0.0005585800000000, 0.0010489100000000 ] - [ -0.0012137100000000, -0.0006187600000000, -0.0002651800000000 ] - [ -0.0014587900000000, -0.0005019300000000, -0.0002648000000000 ] - [ -0.0013356500000000, -0.0005598500000000, 0.0003346500000000 ] - [ -0.0003182400000000, -0.0005775500000000, -0.0550762900000000 ] - [ -0.0006488800000000, -0.0002115800000000, 0.0048783100000000 ] - [ -0.0001011400000000, 0.0001927500000000, 0.0048074600000000 ] - [ 0.0003749200000000, 0.0000044500000000, -0.0019293700000000 ] - [ 0.0002238200000000, 0.0003497200000000, -0.0001539300000000 ] - [ 0.0005271200000000, -0.0003546100000000, -0.0001380700000000 ] - [ -0.0004376300000000, 0.0000809900000000, 0.0001035900000000 ] - [ -0.0003113600000000, -0.0000733900000000, 0.0001035100000000 ] - [ -0.0003744400000000, 0.0000038700000000, 0.0002420300000000 ] - [ 0.0003750700000000, -0.0000069100000000, 0.0000997300000000 ] - [ 0.0003742900000000, -0.0000004400000000, 0.0000994000000000 ] - [ 0.0003741900000000, -0.0000039800000000, 0.0001694900000000 ]- atom: 109 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0008918700000000, -0.0007456600000000, -0.0052589000000000 ] - [ -0.0007226800000000, -0.0019834100000000, 0.0012344800000000 ] - [ -0.0010417700000000, 0.0004073700000000, 0.0012239800000000 ] - [ 0.0008820100000000, 0.0007932300000000, 0.0004497400000000 ] - [ 0.0008451000000000, 0.0009595500000000, 0.0003632800000000 ] - [ 0.0009198900000000, 0.0006267800000000, 0.0003642900000000 ] - [ -0.0008747600000000, 0.0009298300000000, -0.0006179400000000 ] - [ -0.0008898300000000, 0.0006506700000000, -0.0006146300000000 ] - [ -0.0008821300000000, 0.0007908400000000, 0.0002472900000000 ] - [ 0.0008816700000000, -0.0010627000000000, -0.0004700500000000 ] - [ 0.0008794400000000, -0.0005204400000000, -0.0004703800000000 ] - [ 0.0008804500000000, -0.0007909700000000, -0.0000416300000000 ] - [ 0.0006461100000000, 0.0006229000000000, -0.0036506600000000 ] - [ 0.0016243900000000, 0.0003595500000000, 0.0014032000000000 ] - [ -0.0003300000000000, 0.0008646600000000, 0.0013947800000000 ] - [ -0.0006488300000000, -0.0006135200000000, -0.0015691400000000 ] - [ -0.0007337900000000, 0.0001893400000000, 0.0010050600000000 ] - [ -0.0005658300000000, -0.0014133400000000, 0.0010043400000000 ] - [ 0.0010050600000000, -0.0000131100000000, -0.0005149000000000 ] - [ 0.0002899300000000, -0.0012081000000000, -0.0005095700000000 ] - [ 0.0006490500000000, -0.0006103800000000, 0.0002309400000000 ] - [ -0.0006630500000000, 0.0005945600000000, -0.0002380100000000 ] - [ -0.0006309700000000, 0.0006296100000000, -0.0002380400000000 ] - [ -0.0006474700000000, 0.0006108000000000, -0.0000158000000000 ] - [ -0.0025733500000000, 0.0008451100000000, -0.0004181600000000 ] - [ -0.0018588000000000, -0.0001872800000000, -0.0004150900000000 ] - [ -0.0022189600000000, 0.0003283400000000, 0.0001122500000000 ] - [ 0.0022209500000000, -0.0003116800000000, -0.0002175400000000 ] - [ 0.0022170400000000, -0.0003476500000000, -0.0002179600000000 ] - [ 0.0022186300000000, -0.0003275500000000, -0.0000787200000000 ] - [ -0.0021968600000000, -0.0003108400000000, -0.0029112800000000 ] - [ -0.0032362900000000, -0.0008957800000000, 0.0015369000000000 ] - [ -0.0011951700000000, 0.0002368200000000, 0.0015281000000000 ] - [ 0.0022211900000000, 0.0003277700000000, -0.0018706300000000 ] - [ 0.0018536800000000, 0.0013624600000000, 0.0012104400000000 ] - [ 0.0025866000000000, -0.0007078000000000, 0.0012132300000000 ] - [ -0.0020754700000000, 0.0076566100000000, -0.0137394600000000 ] - [ 0.0019593500000000, -0.0070603100000000, -0.0132058900000000 ] - [ 0.0000028700000000, -0.0000145000000000, 0.0022122600000000 ] - [ -0.0000001200000000, 0.0000004100000000, 0.0000692100000000 ] - [ -0.0000060300000000, -0.0000227300000000, 0.0002969900000000 ] - [ 0.0000063400000000, 0.0000230300000000, 0.0002966900000000 ] - [ -0.0000000300000000, 0.0000017900000000, -0.0001025700000000 ] - [ -0.0000437100000000, -0.0000384500000000, 0.0008201300000000 ] - [ 0.0000439000000000, 0.0000385100000000, 0.0008189600000000 ] - [ 0.0000484700000000, 0.0001254100000000, -0.0006163300000000 ] - [ -0.0000494000000000, -0.0001288200000000, -0.0006133500000000 ] - [ -0.0000007300000000, 0.0000006700000000, -0.0002128900000000 ] - [ 0.0002813200000000, -0.0002201900000000, 0.0003198600000000 ] - [ 0.0000586300000000, 0.0003121100000000, 0.0003156300000000 ] - [ 0.0001705800000000, 0.0000472100000000, -0.0005792700000000 ] - [ -0.0006849500000000, 0.0004210200000000, 0.0001071000000000 ] - [ 0.0003441600000000, -0.0005158700000000, 0.0001064800000000 ] - [ -0.0001701200000000, -0.0000466400000000, -0.0003816200000000 ] - [ 0.0001779700000000, -0.0000415100000000, 0.0004544900000000 ] - [ 0.0001311300000000, 0.0001666400000000, -0.0002478300000000 ] - [ 0.0002115300000000, -0.0002611700000000, -0.0002469600000000 ] - [ -0.0001702500000000, 0.0000475900000000, 0.0001796400000000 ] - [ -0.0002348100000000, 0.0000805700000000, 0.0000316900000000 ] - [ -0.0001060500000000, 0.0000140500000000, 0.0000326400000000 ] - [ 0.0003008100000000, -0.0000469400000000, 0.0002512900000000 ] - [ 0.0003014000000000, 0.0000243400000000, -0.0001200700000000 ] - [ 0.0003008800000000, -0.0001179900000000, -0.0001196700000000 ] - [ -0.0003005800000000, 0.0000466400000000, 0.0001394200000000 ] - [ -0.0002638900000000, 0.0001262900000000, -0.0001200800000000 ] - [ -0.0003389800000000, -0.0000330800000000, -0.0001201900000000 ] - [ -0.0030431700000000, 0.0014230700000000, -0.0012505700000000 ] - [ 0.0036192300000000, -0.0013286000000000, -0.0012550700000000 ] - [ 0.0002993600000000, 0.0000484700000000, -0.0008729900000000 ] - [ 0.0036914000000000, 0.0036442700000000, -0.0016096600000000 ] - [ -0.0042575500000000, -0.0037195800000000, -0.0016091800000000 ] - [ -0.0002998000000000, -0.0000444500000000, -0.0007123900000000 ] - [ 0.0011099500000000, -0.0010050500000000, 0.0006986600000000 ] - [ 0.0014312700000000, -0.0012203600000000, 0.0006835100000000 ] - [ 0.0012734900000000, -0.0011148400000000, -0.0001027500000000 ] - [ -0.0012808200000000, 0.0011556100000000, 0.0002291900000000 ] - [ -0.0012651000000000, 0.0010737800000000, 0.0002291800000000 ] - [ -0.0012729700000000, 0.0011141200000000, 0.0000927400000000 ] - [ 0.0012785400000000, 0.0011129600000000, 0.0000437500000000 ] - [ 0.0017032700000000, 0.0012797600000000, -0.0004649400000000 ] - [ 0.0008416300000000, 0.0009507900000000, -0.0004641600000000 ] - [ -0.0012725500000000, -0.0011141100000000, 0.0003213700000000 ] - [ -0.0015954200000000, -0.0013190800000000, -0.0005094300000000 ] - [ -0.0009495800000000, -0.0009087500000000, -0.0005093000000000 ] - [ 0.0019024400000000, -0.0037286000000000, -0.0021370400000000 ] - [ -0.0029098200000000, 0.0023089700000000, -0.0021300200000000 ] - [ -0.0005181800000000, -0.0006913000000000, -0.0010075300000000 ] - [ 0.0006468500000000, 0.0006908100000000, 0.0003196300000000 ] - [ 0.0003930100000000, 0.0006887000000000, 0.0003194800000000 ] - [ 0.0005196800000000, 0.0006897000000000, -0.0001604800000000 ] - [ -0.0005177600000000, 0.0006922200000000, 0.0002518900000000 ] - [ -0.0002784500000000, 0.0008228000000000, -0.0002907400000000 ] - [ -0.0007604900000000, 0.0005570900000000, -0.0002902500000000 ] - [ 0.0005192100000000, -0.0006894800000000, 0.0000488700000000 ] - [ 0.0004901000000000, -0.0008097600000000, -0.0001271800000000 ] - [ 0.0005478200000000, -0.0005695800000000, -0.0001271600000000 ] - [ 0.0013345400000000, -0.0005574900000000, 0.0004149800000000 ] - [ 0.0010516700000000, -0.0004967500000000, -0.0002353000000000 ] - [ 0.0016212600000000, -0.0006214500000000, -0.0002348300000000 ] - [ -0.0013355300000000, 0.0005591600000000, 0.0001551300000000 ] - [ -0.0013353700000000, 0.0004798100000000, -0.0000011200000000 ] - [ -0.0013354500000000, 0.0006382800000000, -0.0000008400000000 ] - [ -0.0009233900000000, -0.0023890900000000, -0.0017185600000000 ] - [ 0.0035742000000000, 0.0034633800000000, -0.0017157500000000 ] - [ 0.0013349000000000, 0.0005574000000000, -0.0011544800000000 ] - [ -0.0014591500000000, -0.0005011000000000, 0.0001599000000000 ] - [ -0.0012139200000000, -0.0006177600000000, 0.0001598800000000 ] - [ -0.0013359700000000, -0.0005589000000000, -0.0004401000000000 ] - [ -0.0003127100000000, -0.0005898500000000, 0.0548397500000000 ] - [ -0.0001018500000000, 0.0001928800000000, -0.0050446100000000 ] - [ -0.0006495200000000, -0.0002112100000000, -0.0051152500000000 ] - [ 0.0003756300000000, 0.0000034400000000, 0.0016931900000000 ] - [ 0.0005275900000000, -0.0003548000000000, -0.0000976700000000 ] - [ 0.0002241400000000, 0.0003497000000000, -0.0000819800000000 ] - [ -0.0003117300000000, -0.0000737500000000, 0.0001326900000000 ] - [ -0.0004381600000000, 0.0000806400000000, 0.0001323600000000 ] - [ -0.0003751600000000, 0.0000032800000000, -0.0000062100000000 ] - [ 0.0003747400000000, -0.0000001500000000, 0.0001373800000000 ] - [ 0.0003757300000000, -0.0000065600000000, 0.0001370900000000 ] - [ 0.0003749500000000, -0.0000033900000000, 0.0000674100000000 ]