# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/b70dd419-802b-4a88-a2e2-df20e2095778/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 CdI2 / P3m1 (156) / materials id 680095](https://mdr.nims.go.jp/datasets/905a95d7-e569-4d2f-aa12-f6778b3af891) ## 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: "P3m1" number: 156 Hall_symbol: "P 3 -2\""supercell_matrix:- [ 1, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 4.221882110000000, 0.000000000000000, 0.000000000000000 ] # a - [ -2.110941060000000, 3.656257170000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 136.954681359999995 ] # c points: - symbol: Cd # 1 coordinates: [ 0.000000000000000, 0.000000000000000, 0.962494540000000 ] mass: 112.411000 - symbol: Cd # 2 coordinates: [ 0.000000000000000, 0.000000000000000, 0.012513050000000 ] mass: 112.411000 - symbol: Cd # 3 coordinates: [ 0.333333330000000, 0.666666670000000, 0.762489320000000 ] mass: 112.411000 - symbol: Cd # 4 coordinates: [ 0.000000000000000, 0.000000000000000, 0.312486040000000 ] mass: 112.411000 - symbol: Cd # 5 coordinates: [ 0.333333330000000, 0.666666670000000, 0.662497160000000 ] mass: 112.411000 - symbol: Cd # 6 coordinates: [ 0.000000000000000, 0.000000000000000, 0.862496880000000 ] mass: 112.411000 - symbol: Cd # 7 coordinates: [ 0.333333330000000, 0.666666670000000, 0.462509890000000 ] mass: 112.411000 - symbol: Cd # 8 coordinates: [ 0.000000000000000, 0.000000000000000, 0.412508510000000 ] mass: 112.411000 - symbol: Cd # 9 coordinates: [ 0.333333330000000, 0.666666670000000, 0.362495740000000 ] mass: 112.411000 - symbol: Cd # 10 coordinates: [ 0.000000000000000, 0.000000000000000, 0.612500070000000 ] mass: 112.411000 - symbol: Cd # 11 coordinates: [ 0.333333330000000, 0.666666670000000, 0.162494260000000 ] mass: 112.411000 - symbol: Cd # 12 coordinates: [ 0.000000000000000, 0.000000000000000, 0.512512550000000 ] mass: 112.411000 - symbol: Cd # 13 coordinates: [ 0.333333330000000, 0.666666670000000, 0.912492520000000 ] mass: 112.411000 - symbol: Cd # 14 coordinates: [ 0.333333330000000, 0.666666670000000, 0.812504370000000 ] mass: 112.411000 - symbol: Cd # 15 coordinates: [ 0.333333330000000, 0.666666670000000, 0.262481900000000 ] mass: 112.411000 - symbol: Cd # 16 coordinates: [ 0.000000000000000, 0.000000000000000, 0.212484310000000 ] mass: 112.411000 - symbol: Cd # 17 coordinates: [ 0.000000000000000, 0.000000000000000, 0.712487130000000 ] mass: 112.411000 - symbol: Cd # 18 coordinates: [ 0.000000000000000, 0.000000000000000, 0.112498780000000 ] mass: 112.411000 - symbol: Cd # 19 coordinates: [ 0.333333330000000, 0.666666670000000, 0.562506390000000 ] mass: 112.411000 - symbol: Cd # 20 coordinates: [ 0.333333330000000, 0.666666670000000, 0.062504430000000 ] mass: 112.411000 - symbol: I # 21 coordinates: [ 0.333333330000000, 0.666666670000000, 0.100052830000000 ] mass: 126.904470 - symbol: I # 22 coordinates: [ 0.666666670000000, 0.333333330000000, 0.624952300000000 ] mass: 126.904470 - symbol: I # 23 coordinates: [ 0.000000000000000, 0.000000000000000, 0.900047160000000 ] mass: 126.904470 - symbol: I # 24 coordinates: [ 0.666666670000000, 0.333333330000000, 0.824955960000000 ] mass: 126.904470 - symbol: I # 25 coordinates: [ 0.000000000000000, 0.000000000000000, 0.650051710000000 ] mass: 126.904470 - symbol: I # 26 coordinates: [ 0.666666670000000, 0.333333330000000, 0.874949260000000 ] mass: 126.904470 - symbol: I # 27 coordinates: [ 0.666666670000000, 0.333333330000000, 0.524964170000000 ] mass: 126.904470 - symbol: I # 28 coordinates: [ 0.666666670000000, 0.333333330000000, 0.174946040000000 ] mass: 126.904470 - symbol: I # 29 coordinates: [ 0.666666670000000, 0.333333330000000, 0.674948890000000 ] mass: 126.904470 - symbol: I # 30 coordinates: [ 0.333333330000000, 0.666666670000000, 0.600054020000000 ] mass: 126.904470 - symbol: I # 31 coordinates: [ 0.000000000000000, 0.000000000000000, 0.550060890000000 ] mass: 126.904470 - symbol: I # 32 coordinates: [ 0.000000000000000, 0.000000000000000, 0.450064320000000 ] mass: 126.904470 - symbol: I # 33 coordinates: [ 0.666666670000000, 0.333333330000000, 0.924944340000000 ] mass: 126.904470 - symbol: I # 34 coordinates: [ 0.666666670000000, 0.333333330000000, 0.474961970000000 ] mass: 126.904470 - symbol: I # 35 coordinates: [ 0.333333330000000, 0.666666670000000, 0.300039540000000 ] mass: 126.904470 - symbol: I # 36 coordinates: [ 0.666666670000000, 0.333333330000000, 0.574957920000000 ] mass: 126.904470 - symbol: I # 37 coordinates: [ 0.000000000000000, 0.000000000000000, 0.350050030000000 ] mass: 126.904470 - symbol: I # 38 coordinates: [ 0.333333330000000, 0.666666670000000, 0.400062500000000 ] mass: 126.904470 - symbol: I # 39 coordinates: [ 0.333333330000000, 0.666666670000000, 0.950047650000000 ] mass: 126.904470 - symbol: I # 40 coordinates: [ 0.333333330000000, 0.666666670000000, 0.200038240000000 ] mass: 126.904470 - symbol: I # 41 coordinates: [ 0.000000000000000, 0.000000000000000, 0.750042590000000 ] mass: 126.904470 - symbol: I # 42 coordinates: [ 0.000000000000000, 0.000000000000000, 0.050059200000000 ] mass: 126.904470 - symbol: I # 43 coordinates: [ 0.666666670000000, 0.333333330000000, 0.974945930000000 ] mass: 126.904470 - symbol: I # 44 coordinates: [ 0.666666670000000, 0.333333330000000, 0.324939000000000 ] mass: 126.904470 - symbol: I # 45 coordinates: [ 0.666666670000000, 0.333333330000000, 0.024964470000000 ] mass: 126.904470 - symbol: I # 46 coordinates: [ 0.000000000000000, 0.000000000000000, 0.150048630000000 ] mass: 126.904470 - symbol: I # 47 coordinates: [ 0.333333330000000, 0.666666670000000, 0.000068880000000 ] mass: 126.904470 - symbol: I # 48 coordinates: [ 0.666666670000000, 0.333333330000000, 0.274934430000000 ] mass: 126.904470 - symbol: I # 49 coordinates: [ 0.333333330000000, 0.666666670000000, 0.850051310000000 ] mass: 126.904470 - symbol: I # 50 coordinates: [ 0.666666670000000, 0.333333330000000, 0.074956150000000 ] mass: 126.904470 - symbol: I # 51 coordinates: [ 0.666666670000000, 0.333333330000000, 0.124951150000000 ] mass: 126.904470 - symbol: I # 52 coordinates: [ 0.666666670000000, 0.333333330000000, 0.774940480000000 ] mass: 126.904470 - symbol: I # 53 coordinates: [ 0.333333330000000, 0.666666670000000, 0.500066670000000 ] mass: 126.904470 - symbol: I # 54 coordinates: [ 0.333333330000000, 0.666666670000000, 0.700041450000000 ] mass: 126.904470 - symbol: I # 55 coordinates: [ 0.000000000000000, 0.000000000000000, 0.250036100000000 ] mass: 126.904470 - symbol: I # 56 coordinates: [ 0.666666670000000, 0.333333330000000, 0.424960880000000 ] mass: 126.904470 - symbol: I # 57 coordinates: [ 0.666666670000000, 0.333333330000000, 0.224936770000000 ] mass: 126.904470 - symbol: I # 58 coordinates: [ 0.000000000000000, 0.000000000000000, 0.800060670000000 ] mass: 126.904470 - symbol: I # 59 coordinates: [ 0.666666670000000, 0.333333330000000, 0.724939260000000 ] mass: 126.904470 - symbol: I # 60 coordinates: [ 0.666666670000000, 0.333333330000000, 0.374948380000000 ] mass: 126.904470 reciprocal_lattice: # without 2pi - [ 0.236861185117270, 0.136751868902128, 0.000000000000000 ] # a* - [ 0.000000000000000, 0.273503737156432, 0.000000000000000 ] # b* - [ 0.000000000000000, 0.000000000000000, 0.007301685419364 ] # c*unit_cell: lattice: - [ 4.221882110000000, 0.000000000000000, 0.000000000000000 ] # a - [ -2.110941060000000, 3.656257170000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 136.954681359999995 ] # c points: - symbol: Cd # 1 coordinates: [ 0.000000000000000, 0.000000000000000, 0.962494540000000 ] mass: 112.411000 reduced_to: 1 - symbol: Cd # 2 coordinates: [ 0.000000000000000, 0.000000000000000, 0.012513050000000 ] mass: 112.411000 reduced_to: 2 - symbol: Cd # 3 coordinates: [ 0.333333330000000, 0.666666670000000, 0.762489320000000 ] mass: 112.411000 reduced_to: 3 - symbol: Cd # 4 coordinates: [ 0.000000000000000, 0.000000000000000, 0.312486040000000 ] mass: 112.411000 reduced_to: 4 - symbol: Cd # 5 coordinates: [ 0.333333330000000, 0.666666670000000, 0.662497160000000 ] mass: 112.411000 reduced_to: 5 - symbol: Cd # 6 coordinates: [ 0.000000000000000, 0.000000000000000, 0.862496880000000 ] mass: 112.411000 reduced_to: 6 - symbol: Cd # 7 coordinates: [ 0.333333330000000, 0.666666670000000, 0.462509890000000 ] mass: 112.411000 reduced_to: 7 - symbol: Cd # 8 coordinates: [ 0.000000000000000, 0.000000000000000, 0.412508510000000 ] mass: 112.411000 reduced_to: 8 - symbol: Cd # 9 coordinates: [ 0.333333330000000, 0.666666670000000, 0.362495740000000 ] mass: 112.411000 reduced_to: 9 - symbol: Cd # 10 coordinates: [ 0.000000000000000, 0.000000000000000, 0.612500070000000 ] mass: 112.411000 reduced_to: 10 - symbol: Cd # 11 coordinates: [ 0.333333330000000, 0.666666670000000, 0.162494260000000 ] mass: 112.411000 reduced_to: 11 - symbol: Cd # 12 coordinates: [ 0.000000000000000, 0.000000000000000, 0.512512550000000 ] mass: 112.411000 reduced_to: 12 - symbol: Cd # 13 coordinates: [ 0.333333330000000, 0.666666670000000, 0.912492520000000 ] mass: 112.411000 reduced_to: 13 - symbol: Cd # 14 coordinates: [ 0.333333330000000, 0.666666670000000, 0.812504370000000 ] mass: 112.411000 reduced_to: 14 - symbol: Cd # 15 coordinates: [ 0.333333330000000, 0.666666670000000, 0.262481900000000 ] mass: 112.411000 reduced_to: 15 - symbol: Cd # 16 coordinates: [ 0.000000000000000, 0.000000000000000, 0.212484310000000 ] mass: 112.411000 reduced_to: 16 - symbol: Cd # 17 coordinates: [ 0.000000000000000, 0.000000000000000, 0.712487130000000 ] mass: 112.411000 reduced_to: 17 - symbol: Cd # 18 coordinates: [ 0.000000000000000, 0.000000000000000, 0.112498780000000 ] mass: 112.411000 reduced_to: 18 - symbol: Cd # 19 coordinates: [ 0.333333330000000, 0.666666670000000, 0.562506390000000 ] mass: 112.411000 reduced_to: 19 - symbol: Cd # 20 coordinates: [ 0.333333330000000, 0.666666670000000, 0.062504430000000 ] mass: 112.411000 reduced_to: 20 - symbol: I # 21 coordinates: [ 0.333333330000000, 0.666666670000000, 0.100052830000000 ] mass: 126.904470 reduced_to: 21 - symbol: I # 22 coordinates: [ 0.666666670000000, 0.333333330000000, 0.624952300000000 ] mass: 126.904470 reduced_to: 22 - symbol: I # 23 coordinates: [ 0.000000000000000, 0.000000000000000, 0.900047160000000 ] mass: 126.904470 reduced_to: 23 - symbol: I # 24 coordinates: [ 0.666666670000000, 0.333333330000000, 0.824955960000000 ] mass: 126.904470 reduced_to: 24 - symbol: I # 25 coordinates: [ 0.000000000000000, 0.000000000000000, 0.650051710000000 ] mass: 126.904470 reduced_to: 25 - symbol: I # 26 coordinates: [ 0.666666670000000, 0.333333330000000, 0.874949260000000 ] mass: 126.904470 reduced_to: 26 - symbol: I # 27 coordinates: [ 0.666666670000000, 0.333333330000000, 0.524964170000000 ] mass: 126.904470 reduced_to: 27 - symbol: I # 28 coordinates: [ 0.666666670000000, 0.333333330000000, 0.174946040000000 ] mass: 126.904470 reduced_to: 28 - symbol: I # 29 coordinates: [ 0.666666670000000, 0.333333330000000, 0.674948890000000 ] mass: 126.904470 reduced_to: 29 - symbol: I # 30 coordinates: [ 0.333333330000000, 0.666666670000000, 0.600054020000000 ] mass: 126.904470 reduced_to: 30 - symbol: I # 31 coordinates: [ 0.000000000000000, 0.000000000000000, 0.550060890000000 ] mass: 126.904470 reduced_to: 31 - symbol: I # 32 coordinates: [ 0.000000000000000, 0.000000000000000, 0.450064320000000 ] mass: 126.904470 reduced_to: 32 - symbol: I # 33 coordinates: [ 0.666666670000000, 0.333333330000000, 0.924944340000000 ] mass: 126.904470 reduced_to: 33 - symbol: I # 34 coordinates: [ 0.666666670000000, 0.333333330000000, 0.474961970000000 ] mass: 126.904470 reduced_to: 34 - symbol: I # 35 coordinates: [ 0.333333330000000, 0.666666670000000, 0.300039540000000 ] mass: 126.904470 reduced_to: 35 - symbol: I # 36 coordinates: [ 0.666666670000000, 0.333333330000000, 0.574957920000000 ] mass: 126.904470 reduced_to: 36 - symbol: I # 37 coordinates: [ 0.000000000000000, 0.000000000000000, 0.350050030000000 ] mass: 126.904470 reduced_to: 37 - symbol: I # 38 coordinates: [ 0.333333330000000, 0.666666670000000, 0.400062500000000 ] mass: 126.904470 reduced_to: 38 - symbol: I # 39 coordinates: [ 0.333333330000000, 0.666666670000000, 0.950047650000000 ] mass: 126.904470 reduced_to: 39 - symbol: I # 40 coordinates: [ 0.333333330000000, 0.666666670000000, 0.200038240000000 ] mass: 126.904470 reduced_to: 40 - symbol: I # 41 coordinates: [ 0.000000000000000, 0.000000000000000, 0.750042590000000 ] mass: 126.904470 reduced_to: 41 - symbol: I # 42 coordinates: [ 0.000000000000000, 0.000000000000000, 0.050059200000000 ] mass: 126.904470 reduced_to: 42 - symbol: I # 43 coordinates: [ 0.666666670000000, 0.333333330000000, 0.974945930000000 ] mass: 126.904470 reduced_to: 43 - symbol: I # 44 coordinates: [ 0.666666670000000, 0.333333330000000, 0.324939000000000 ] mass: 126.904470 reduced_to: 44 - symbol: I # 45 coordinates: [ 0.666666670000000, 0.333333330000000, 0.024964470000000 ] mass: 126.904470 reduced_to: 45 - symbol: I # 46 coordinates: [ 0.000000000000000, 0.000000000000000, 0.150048630000000 ] mass: 126.904470 reduced_to: 46 - symbol: I # 47 coordinates: [ 0.333333330000000, 0.666666670000000, 0.000068880000000 ] mass: 126.904470 reduced_to: 47 - symbol: I # 48 coordinates: [ 0.666666670000000, 0.333333330000000, 0.274934430000000 ] mass: 126.904470 reduced_to: 48 - symbol: I # 49 coordinates: [ 0.333333330000000, 0.666666670000000, 0.850051310000000 ] mass: 126.904470 reduced_to: 49 - symbol: I # 50 coordinates: [ 0.666666670000000, 0.333333330000000, 0.074956150000000 ] mass: 126.904470 reduced_to: 50 - symbol: I # 51 coordinates: [ 0.666666670000000, 0.333333330000000, 0.124951150000000 ] mass: 126.904470 reduced_to: 51 - symbol: I # 52 coordinates: [ 0.666666670000000, 0.333333330000000, 0.774940480000000 ] mass: 126.904470 reduced_to: 52 - symbol: I # 53 coordinates: [ 0.333333330000000, 0.666666670000000, 0.500066670000000 ] mass: 126.904470 reduced_to: 53 - symbol: I # 54 coordinates: [ 0.333333330000000, 0.666666670000000, 0.700041450000000 ] mass: 126.904470 reduced_to: 54 - symbol: I # 55 coordinates: [ 0.000000000000000, 0.000000000000000, 0.250036100000000 ] mass: 126.904470 reduced_to: 55 - symbol: I # 56 coordinates: [ 0.666666670000000, 0.333333330000000, 0.424960880000000 ] mass: 126.904470 reduced_to: 56 - symbol: I # 57 coordinates: [ 0.666666670000000, 0.333333330000000, 0.224936770000000 ] mass: 126.904470 reduced_to: 57 - symbol: I # 58 coordinates: [ 0.000000000000000, 0.000000000000000, 0.800060670000000 ] mass: 126.904470 reduced_to: 58 - symbol: I # 59 coordinates: [ 0.666666670000000, 0.333333330000000, 0.724939260000000 ] mass: 126.904470 reduced_to: 59 - symbol: I # 60 coordinates: [ 0.666666670000000, 0.333333330000000, 0.374948380000000 ] mass: 126.904470 reduced_to: 60supercell: lattice: - [ 4.221882110000000, 0.000000000000000, 0.000000000000000 ] # a - [ -2.110941060000000, 3.656257170000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 136.954681359999995 ] # c points: - symbol: Cd # 1 coordinates: [ 0.000000000000000, 0.000000000000000, 0.962494540000000 ] mass: 112.411000 reduced_to: 1 - symbol: Cd # 2 coordinates: [ 0.000000000000000, 0.000000000000000, 0.012513050000000 ] mass: 112.411000 reduced_to: 2 - symbol: Cd # 3 coordinates: [ 0.333333330000000, 0.666666670000000, 0.762489320000000 ] mass: 112.411000 reduced_to: 3 - symbol: Cd # 4 coordinates: [ 0.000000000000000, 0.000000000000000, 0.312486040000000 ] mass: 112.411000 reduced_to: 4 - symbol: Cd # 5 coordinates: [ 0.333333330000000, 0.666666670000000, 0.662497160000000 ] mass: 112.411000 reduced_to: 5 - symbol: Cd # 6 coordinates: [ 0.000000000000000, 0.000000000000000, 0.862496880000000 ] mass: 112.411000 reduced_to: 6 - symbol: Cd # 7 coordinates: [ 0.333333330000000, 0.666666670000000, 0.462509890000000 ] mass: 112.411000 reduced_to: 7 - symbol: Cd # 8 coordinates: [ 0.000000000000000, 0.000000000000000, 0.412508510000000 ] mass: 112.411000 reduced_to: 8 - symbol: Cd # 9 coordinates: [ 0.333333330000000, 0.666666670000000, 0.362495740000000 ] mass: 112.411000 reduced_to: 9 - symbol: Cd # 10 coordinates: [ 0.000000000000000, 0.000000000000000, 0.612500070000000 ] mass: 112.411000 reduced_to: 10 - symbol: Cd # 11 coordinates: [ 0.333333330000000, 0.666666670000000, 0.162494260000000 ] mass: 112.411000 reduced_to: 11 - symbol: Cd # 12 coordinates: [ 0.000000000000000, 0.000000000000000, 0.512512550000000 ] mass: 112.411000 reduced_to: 12 - symbol: Cd # 13 coordinates: [ 0.333333330000000, 0.666666670000000, 0.912492520000000 ] mass: 112.411000 reduced_to: 13 - symbol: Cd # 14 coordinates: [ 0.333333330000000, 0.666666670000000, 0.812504370000000 ] mass: 112.411000 reduced_to: 14 - symbol: Cd # 15 coordinates: [ 0.333333330000000, 0.666666670000000, 0.262481900000000 ] mass: 112.411000 reduced_to: 15 - symbol: Cd # 16 coordinates: [ 0.000000000000000, 0.000000000000000, 0.212484310000000 ] mass: 112.411000 reduced_to: 16 - symbol: Cd # 17 coordinates: [ 0.000000000000000, 0.000000000000000, 0.712487130000000 ] mass: 112.411000 reduced_to: 17 - symbol: Cd # 18 coordinates: [ 0.000000000000000, 0.000000000000000, 0.112498780000000 ] mass: 112.411000 reduced_to: 18 - symbol: Cd # 19 coordinates: [ 0.333333330000000, 0.666666670000000, 0.562506390000000 ] mass: 112.411000 reduced_to: 19 - symbol: Cd # 20 coordinates: [ 0.333333330000000, 0.666666670000000, 0.062504430000000 ] mass: 112.411000 reduced_to: 20 - symbol: I # 21 coordinates: [ 0.333333330000000, 0.666666670000000, 0.100052830000000 ] mass: 126.904470 reduced_to: 21 - symbol: I # 22 coordinates: [ 0.666666670000000, 0.333333330000000, 0.624952300000000 ] mass: 126.904470 reduced_to: 22 - symbol: I # 23 coordinates: [ 0.000000000000000, 0.000000000000000, 0.900047160000000 ] mass: 126.904470 reduced_to: 23 - symbol: I # 24 coordinates: [ 0.666666670000000, 0.333333330000000, 0.824955960000000 ] mass: 126.904470 reduced_to: 24 - symbol: I # 25 coordinates: [ 0.000000000000000, 0.000000000000000, 0.650051710000000 ] mass: 126.904470 reduced_to: 25 - symbol: I # 26 coordinates: [ 0.666666670000000, 0.333333330000000, 0.874949260000000 ] mass: 126.904470 reduced_to: 26 - symbol: I # 27 coordinates: [ 0.666666670000000, 0.333333330000000, 0.524964170000000 ] mass: 126.904470 reduced_to: 27 - symbol: I # 28 coordinates: [ 0.666666670000000, 0.333333330000000, 0.174946040000000 ] mass: 126.904470 reduced_to: 28 - symbol: I # 29 coordinates: [ 0.666666670000000, 0.333333330000000, 0.674948890000000 ] mass: 126.904470 reduced_to: 29 - symbol: I # 30 coordinates: [ 0.333333330000000, 0.666666670000000, 0.600054020000000 ] mass: 126.904470 reduced_to: 30 - symbol: I # 31 coordinates: [ 0.000000000000000, 0.000000000000000, 0.550060890000000 ] mass: 126.904470 reduced_to: 31 - symbol: I # 32 coordinates: [ 0.000000000000000, 0.000000000000000, 0.450064320000000 ] mass: 126.904470 reduced_to: 32 - symbol: I # 33 coordinates: [ 0.666666670000000, 0.333333330000000, 0.924944340000000 ] mass: 126.904470 reduced_to: 33 - symbol: I # 34 coordinates: [ 0.666666670000000, 0.333333330000000, 0.474961970000000 ] mass: 126.904470 reduced_to: 34 - symbol: I # 35 coordinates: [ 0.333333330000000, 0.666666670000000, 0.300039540000000 ] mass: 126.904470 reduced_to: 35 - symbol: I # 36 coordinates: [ 0.666666670000000, 0.333333330000000, 0.574957920000000 ] mass: 126.904470 reduced_to: 36 - symbol: I # 37 coordinates: [ 0.000000000000000, 0.000000000000000, 0.350050030000000 ] mass: 126.904470 reduced_to: 37 - symbol: I # 38 coordinates: [ 0.333333330000000, 0.666666670000000, 0.400062500000000 ] mass: 126.904470 reduced_to: 38 - symbol: I # 39 coordinates: [ 0.333333330000000, 0.666666670000000, 0.950047650000000 ] mass: 126.904470 reduced_to: 39 - symbol: I # 40 coordinates: [ 0.333333330000000, 0.666666670000000, 0.200038240000000 ] mass: 126.904470 reduced_to: 40 - symbol: I # 41 coordinates: [ 0.000000000000000, 0.000000000000000, 0.750042590000000 ] mass: 126.904470 reduced_to: 41 - symbol: I # 42 coordinates: [ 0.000000000000000, 0.000000000000000, 0.050059200000000 ] mass: 126.904470 reduced_to: 42 - symbol: I # 43 coordinates: [ 0.666666670000000, 0.333333330000000, 0.974945930000000 ] mass: 126.904470 reduced_to: 43 - symbol: I # 44 coordinates: [ 0.666666670000000, 0.333333330000000, 0.324939000000000 ] mass: 126.904470 reduced_to: 44 - symbol: I # 45 coordinates: [ 0.666666670000000, 0.333333330000000, 0.024964470000000 ] mass: 126.904470 reduced_to: 45 - symbol: I # 46 coordinates: [ 0.000000000000000, 0.000000000000000, 0.150048630000000 ] mass: 126.904470 reduced_to: 46 - symbol: I # 47 coordinates: [ 0.333333330000000, 0.666666670000000, 0.000068880000000 ] mass: 126.904470 reduced_to: 47 - symbol: I # 48 coordinates: [ 0.666666670000000, 0.333333330000000, 0.274934430000000 ] mass: 126.904470 reduced_to: 48 - symbol: I # 49 coordinates: [ 0.333333330000000, 0.666666670000000, 0.850051310000000 ] mass: 126.904470 reduced_to: 49 - symbol: I # 50 coordinates: [ 0.666666670000000, 0.333333330000000, 0.074956150000000 ] mass: 126.904470 reduced_to: 50 - symbol: I # 51 coordinates: [ 0.666666670000000, 0.333333330000000, 0.124951150000000 ] mass: 126.904470 reduced_to: 51 - symbol: I # 52 coordinates: [ 0.666666670000000, 0.333333330000000, 0.774940480000000 ] mass: 126.904470 reduced_to: 52 - symbol: I # 53 coordinates: [ 0.333333330000000, 0.666666670000000, 0.500066670000000 ] mass: 126.904470 reduced_to: 53 - symbol: I # 54 coordinates: [ 0.333333330000000, 0.666666670000000, 0.700041450000000 ] mass: 126.904470 reduced_to: 54 - symbol: I # 55 coordinates: [ 0.000000000000000, 0.000000000000000, 0.250036100000000 ] mass: 126.904470 reduced_to: 55 - symbol: I # 56 coordinates: [ 0.666666670000000, 0.333333330000000, 0.424960880000000 ] mass: 126.904470 reduced_to: 56 - symbol: I # 57 coordinates: [ 0.666666670000000, 0.333333330000000, 0.224936770000000 ] mass: 126.904470 reduced_to: 57 - symbol: I # 58 coordinates: [ 0.000000000000000, 0.000000000000000, 0.800060670000000 ] mass: 126.904470 reduced_to: 58 - symbol: I # 59 coordinates: [ 0.666666670000000, 0.333333330000000, 0.724939260000000 ] mass: 126.904470 reduced_to: 59 - symbol: I # 60 coordinates: [ 0.666666670000000, 0.333333330000000, 0.374948380000000 ] mass: 126.904470 reduced_to: 60displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0214633000000000, -0.0000000200000000, 0.0000497300000000 ] - [ 0.0000930500000000, 0.0000001500000000, 0.0000661900000000 ] - [ -0.0000019100000000, -0.0000003800000000, 0.0001290600000000 ] - [ -0.0000001100000000, 0.0000000700000000, -0.0000141600000000 ] - [ -0.0000014900000000, -0.0000004000000000, 0.0000690400000000 ] - [ -0.0000012800000000, 0.0000000800000000, 0.0000115700000000 ] - [ -0.0000015400000000, -0.0000004200000000, 0.0003302500000000 ] - [ -0.0000006100000000, 0.0000000800000000, 0.0001686900000000 ] - [ -0.0000010200000000, -0.0000004200000000, 0.0001175600000000 ] - [ -0.0000001400000000, 0.0000000500000000, 0.0001289800000000 ] - [ -0.0000020200000000, -0.0000003800000000, -0.0000504000000000 ] - [ -0.0000006300000000, 0.0000000500000000, 0.0002129300000000 ] - [ 0.0000335900000000, -0.0000003200000000, 0.0000235800000000 ] - [ -0.0000016400000000, -0.0000004500000000, 0.0001485000000000 ] - [ -0.0000014100000000, -0.0000004300000000, -0.0000020000000000 ] - [ 0.0000006000000000, 0.0000000300000000, -0.0000909700000000 ] - [ 0.0000007800000000, 0.0000000400000000, 0.0000253800000000 ] - [ -0.0000006100000000, 0.0000000700000000, 0.0000135900000000 ] - [ -0.0000011500000000, -0.0000003800000000, 0.0003462500000000 ] - [ -0.0000016000000000, -0.0000004000000000, 0.0001840600000000 ] - [ 0.0000002100000000, 0.0000000300000000, 0.0001483600000000 ] - [ -0.0000013300000000, 0.0000001700000000, -0.0001237700000000 ] - [ -0.0000312800000000, 0.0000002700000000, -0.0001886700000000 ] - [ 0.0000001100000000, -0.0000000100000000, 0.0000626100000000 ] - [ 0.0000005000000000, 0.0000002500000000, -0.0001390600000000 ] - [ -0.0000021500000000, 0.0000001700000000, -0.0001912700000000 ] - [ -0.0000011000000000, 0.0000001600000000, 0.0001500800000000 ] - [ -0.0000009300000000, 0.0000000000000000, -0.0000008800000000 ] - [ -0.0000008000000000, -0.0000000100000000, 0.0000622200000000 ] - [ -0.0000001200000000, 0.0000000000000000, 0.0002745600000000 ] - [ -0.0000027800000000, 0.0000002500000000, -0.0000619900000000 ] - [ -0.0000015700000000, 0.0000002300000000, -0.0000549900000000 ] - [ -0.0001888700000000, -0.0000000800000000, 0.0000338200000000 ] - [ -0.0000020500000000, -0.0000000100000000, 0.0001510200000000 ] - [ -0.0000009200000000, 0.0000000300000000, -0.0000213200000000 ] - [ -0.0000014700000000, -0.0000000100000000, 0.0002472500000000 ] - [ -0.0000016400000000, 0.0000002300000000, -0.0003499700000000 ] - [ -0.0000006500000000, 0.0000000300000000, 0.0000459100000000 ] - [ 0.0109684000000000, -0.0002043600000000, -0.0003162300000000 ] - [ -0.0000006900000000, 0.0000000500000000, -0.0001848400000000 ] - [ -0.0000019100000000, 0.0000003100000000, -0.0002155400000000 ] - [ -0.0000003600000000, 0.0000002800000000, -0.0001883200000000 ] - [ 0.0109142800000000, 0.0002039600000000, 0.0002316600000000 ] - [ -0.0000005200000000, 0.0000001500000000, -0.0002994700000000 ] - [ 0.0000055000000000, 0.0000002100000000, 0.0000692600000000 ] - [ -0.0000005800000000, 0.0000002500000000, -0.0002925300000000 ] - [ -0.0002762200000000, -0.0000002100000000, 0.0000694200000000 ] - [ -0.0000020600000000, -0.0000000100000000, -0.0001152400000000 ] - [ -0.0000007100000000, 0.0000000900000000, 0.0001128800000000 ] - [ -0.0000006600000000, -0.0000000300000000, 0.0001772800000000 ] - [ -0.0000016900000000, 0.0000001600000000, -0.0002361700000000 ] - [ -0.0000015400000000, -0.0000000100000000, 0.0000571500000000 ] - [ 0.0000002500000000, 0.0000000200000000, 0.0002545500000000 ] - [ -0.0000011900000000, -0.0000000200000000, 0.0000057500000000 ] - [ -0.0000025500000000, 0.0000002400000000, -0.0003846400000000 ] - [ -0.0000001700000000, 0.0000001600000000, -0.0001050700000000 ] - [ -0.0000016200000000, 0.0000001400000000, -0.0002553000000000 ] - [ -0.0000045100000000, 0.0000001200000000, -0.0001824500000000 ] - [ -0.0000011600000000, 0.0000002000000000, -0.0001810900000000 ] - [ -0.0000010000000000, 0.0000000000000000, 0.0000672000000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0611494600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006177600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006340500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004887300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005712900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005145200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008304400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006766200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006195900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006334500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004513400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007175900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005745400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006509300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005004800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004125800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005295200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005201800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008480100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006874800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000982100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003787300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004526400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001912000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003851300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004447700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001046400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002546100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001919600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000285000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003100800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002999100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000214900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001053000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002682200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000070500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005976400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002005100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0301435300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004317100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004626400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004349600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0304015400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005538100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001960900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005389800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000394600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003707100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001334000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000762500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004903700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001973500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000093500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002398200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006327900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003584400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005091700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004337000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004359400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001867700000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0612537900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004864600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003751100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005175200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004337800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004922500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001704200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003400200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003849300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003760200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005530700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002921500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005291300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003525000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005050100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005954400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004807100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004924600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001562400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003204900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003969400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001278800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000787800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003129300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001106400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000598300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004015100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002509100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003130300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005240400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001894700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001929100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000492800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004045900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002283800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004985600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000995700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002953900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0304961400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000645300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000349800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000608800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0302162000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000478800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003317300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000437800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000964000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001379700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003618300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004288800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000156200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003087000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005030000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002553300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001340600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001454400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000038100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000717600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000705700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003187000000000 ]- atom: 2 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000932900000000, -0.0000001100000000, 0.0000611800000000 ] - [ -0.0214371500000000, 0.0000006400000000, 0.0000587800000000 ] - [ -0.0000000100000000, -0.0000003900000000, 0.0001290100000000 ] - [ -0.0000003800000000, 0.0000000700000000, -0.0000142000000000 ] - [ 0.0000007900000000, -0.0000004000000000, 0.0000690100000000 ] - [ -0.0000005900000000, 0.0000000900000000, 0.0000115100000000 ] - [ -0.0000013600000000, -0.0000004200000000, 0.0003302100000000 ] - [ -0.0000006000000000, 0.0000000600000000, 0.0001686300000000 ] - [ 0.0000007600000000, -0.0000004200000000, 0.0001175100000000 ] - [ -0.0000006100000000, 0.0000000500000000, 0.0001289600000000 ] - [ -0.0000014400000000, -0.0000004000000000, -0.0000504600000000 ] - [ -0.0000004600000000, 0.0000000500000000, 0.0002128900000000 ] - [ -0.0000019400000000, -0.0000004300000000, 0.0000236700000000 ] - [ -0.0000018500000000, -0.0000004500000000, 0.0001485000000000 ] - [ 0.0000000900000000, -0.0000004400000000, -0.0000020600000000 ] - [ -0.0000014900000000, 0.0000000200000000, -0.0000910200000000 ] - [ -0.0000002400000000, 0.0000000300000000, 0.0000253200000000 ] - [ -0.0000011400000000, 0.0000000500000000, 0.0000135300000000 ] - [ -0.0000014100000000, -0.0000003800000000, 0.0003461900000000 ] - [ 0.0000339400000000, -0.0000001100000000, 0.0001841800000000 ] - [ -0.0000014700000000, 0.0000000100000000, 0.0001484000000000 ] - [ -0.0000016000000000, 0.0000001500000000, -0.0001238800000000 ] - [ -0.0000002700000000, 0.0000001900000000, -0.0001885900000000 ] - [ -0.0000014000000000, -0.0000000200000000, 0.0000624700000000 ] - [ -0.0000025800000000, 0.0000002300000000, -0.0001390100000000 ] - [ -0.0000000300000000, 0.0000001600000000, -0.0001914100000000 ] - [ -0.0000022000000000, 0.0000001500000000, 0.0001499400000000 ] - [ -0.0000012200000000, 0.0000000000000000, -0.0000010000000000 ] - [ -0.0000009000000000, -0.0000000100000000, 0.0000620700000000 ] - [ -0.0000007500000000, 0.0000000000000000, 0.0002746200000000 ] - [ -0.0000023500000000, 0.0000002400000000, -0.0000619200000000 ] - [ -0.0000011300000000, 0.0000002300000000, -0.0000549400000000 ] - [ -0.0000012000000000, -0.0000000200000000, 0.0000341700000000 ] - [ 0.0000002900000000, -0.0000000100000000, 0.0001508900000000 ] - [ -0.0000005400000000, 0.0000000300000000, -0.0000212700000000 ] - [ -0.0000006500000000, -0.0000000200000000, 0.0002471100000000 ] - [ -0.0000019500000000, 0.0000002200000000, -0.0003499400000000 ] - [ -0.0000011900000000, 0.0000000200000000, 0.0000459600000000 ] - [ 0.0000040100000000, 0.0000000600000000, -0.0000689100000000 ] - [ -0.0000012300000000, 0.0000000200000000, -0.0001847900000000 ] - [ -0.0000016900000000, 0.0000003000000000, -0.0002155100000000 ] - [ -0.0000766000000000, -0.0000004800000000, -0.0001899500000000 ] - [ -0.0002756700000000, 0.0000003100000000, -0.0000158500000000 ] - [ -0.0000022300000000, 0.0000001300000000, -0.0002996100000000 ] - [ 0.0107347100000000, 0.0002043800000000, 0.0003165700000000 ] - [ -0.0000006500000000, 0.0000002400000000, -0.0002924600000000 ] - [ 0.0109574700000000, -0.0002046500000000, -0.0001785900000000 ] - [ -0.0000011300000000, -0.0000000100000000, -0.0001153700000000 ] - [ -0.0000011000000000, 0.0000000700000000, 0.0001129400000000 ] - [ 0.0000202400000000, 0.0000000000000000, 0.0001771600000000 ] - [ -0.0000008400000000, 0.0000001500000000, -0.0002363100000000 ] - [ -0.0000007100000000, -0.0000000200000000, 0.0000570200000000 ] - [ -0.0000018100000000, 0.0000000200000000, 0.0002546000000000 ] - [ -0.0000018300000000, -0.0000000300000000, 0.0000058000000000 ] - [ -0.0000027800000000, 0.0000002400000000, -0.0003845800000000 ] - [ -0.0000011700000000, 0.0000001500000000, -0.0001052100000000 ] - [ -0.0000011400000000, 0.0000001500000000, -0.0002554400000000 ] - [ -0.0000018500000000, 0.0000001100000000, -0.0001824300000000 ] - [ -0.0000009700000000, 0.0000002000000000, -0.0001812100000000 ] - [ -0.0000000800000000, 0.0000000000000000, 0.0000670700000000 ]- atom: 2 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0006133000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0611273500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006313200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004874300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005686800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005143400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008277200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006684000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006173600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006306800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004480100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007165000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005237600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006480500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004975400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004073100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005234100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005155400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008434200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007329000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000985300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003770100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004348700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001906000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003857800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004440800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001052200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002535900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001915700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000293300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003102400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003031300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002178600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001010900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002668900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000061300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005977200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001998200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003280500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004312100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004613000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001226700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000423100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005539700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0304228200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005393100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0302799000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003678000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001329600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000868200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004887800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001966500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000069400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002409100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006326400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003579300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005079300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004323100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004339500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001856800000000 ]- atom: 2 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0004896500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0612218900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003720200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005155600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004308400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004917900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001673800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003319100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003824100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003730600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005494700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002904000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004776600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003492300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005017000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005898900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004743100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004884400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001513600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003658400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003974800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001262300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000617400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003124100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001120600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000591100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004022300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002502000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003125900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005239200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001902800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001968100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002841500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004004900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002274700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004976400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000991000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002951500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001930800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000643700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000343000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002568500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000142200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000474400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0300698200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000429400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0303552600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001353400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003619400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004399700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000143900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003079200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005059900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002571700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001339000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001450700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000047000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000708100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000686100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003178800000000 ]- atom: 3 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000012600000000, 0.0000005500000000, 0.0000612300000000 ] - [ 0.0000005400000000, 0.0000005200000000, 0.0000661700000000 ] - [ -0.0215484300000000, -0.0000291000000000, 0.0001206300000000 ] - [ -0.0000008800000000, 0.0000005400000000, -0.0000142000000000 ] - [ 0.0000010100000000, 0.0000000500000000, 0.0000689400000000 ] - [ -0.0000008700000000, 0.0000005600000000, 0.0000114900000000 ] - [ 0.0000020100000000, 0.0000000400000000, 0.0003301800000000 ] - [ 0.0000013000000000, 0.0000005300000000, 0.0001686400000000 ] - [ 0.0000015900000000, 0.0000000500000000, 0.0001175200000000 ] - [ -0.0000009200000000, 0.0000005200000000, 0.0001289100000000 ] - [ 0.0000016600000000, 0.0000000800000000, -0.0000504600000000 ] - [ 0.0000004400000000, 0.0000005300000000, 0.0002128600000000 ] - [ 0.0000017300000000, 0.0000000600000000, 0.0000235900000000 ] - [ 0.0000950400000000, -0.0000001400000000, 0.0001485800000000 ] - [ 0.0000018400000000, 0.0000000300000000, -0.0000020200000000 ] - [ -0.0000008200000000, 0.0000004900000000, -0.0000909900000000 ] - [ 0.0000343200000000, 0.0000004100000000, 0.0000251100000000 ] - [ 0.0000012400000000, 0.0000005100000000, 0.0000135900000000 ] - [ 0.0000006000000000, 0.0000000900000000, 0.0003461900000000 ] - [ 0.0000017900000000, 0.0000000700000000, 0.0001840500000000 ] - [ -0.0000002100000000, 0.0000004900000000, 0.0001483200000000 ] - [ 0.0000013500000000, 0.0000006200000000, -0.0001238700000000 ] - [ 0.0000013300000000, 0.0000006600000000, -0.0001886000000000 ] - [ 0.0000073200000000, 0.0000004100000000, 0.0000625600000000 ] - [ 0.0000004300000000, 0.0000007100000000, -0.0001390100000000 ] - [ 0.0000005800000000, 0.0000006400000000, -0.0001913800000000 ] - [ 0.0000003800000000, 0.0000006300000000, 0.0001499500000000 ] - [ 0.0000005400000000, 0.0000004700000000, -0.0000010200000000 ] - [ -0.0000003500000000, 0.0000004600000000, 0.0000621100000000 ] - [ -0.0000025700000000, 0.0000004800000000, 0.0002746000000000 ] - [ 0.0000003400000000, 0.0000007100000000, -0.0000619300000000 ] - [ -0.0000008100000000, 0.0000007000000000, -0.0000549800000000 ] - [ 0.0000001700000000, 0.0000004500000000, 0.0000341900000000 ] - [ 0.0000007200000000, 0.0000004500000000, 0.0001509000000000 ] - [ -0.0000006200000000, 0.0000005100000000, -0.0000213100000000 ] - [ 0.0000000000000000, 0.0000004500000000, 0.0002471100000000 ] - [ 0.0000002700000000, 0.0000007000000000, -0.0003499700000000 ] - [ -0.0000008500000000, 0.0000004900000000, 0.0000459200000000 ] - [ 0.0000013900000000, 0.0000005900000000, -0.0000688800000000 ] - [ 0.0000006500000000, 0.0000004900000000, -0.0001848400000000 ] - [ 0.0109706100000000, 0.0002052800000000, -0.0004628400000000 ] - [ 0.0000005100000000, 0.0000007500000000, -0.0001902200000000 ] - [ 0.0000002700000000, 0.0000006200000000, -0.0000156600000000 ] - [ 0.0000004300000000, 0.0000006100000000, -0.0002996000000000 ] - [ -0.0000000800000000, 0.0000006300000000, 0.0000690600000000 ] - [ -0.0000001800000000, 0.0000007200000000, -0.0002925300000000 ] - [ -0.0000010700000000, 0.0000004100000000, 0.0000692200000000 ] - [ -0.0000005000000000, 0.0000004700000000, -0.0001153600000000 ] - [ 0.0000014500000000, 0.0000005500000000, 0.0001148100000000 ] - [ -0.0000005600000000, 0.0000004500000000, 0.0001771500000000 ] - [ 0.0000010100000000, 0.0000006200000000, -0.0002363200000000 ] - [ 0.0109178400000000, -0.0002033800000000, 0.0003042400000000 ] - [ 0.0000000200000000, 0.0000004900000000, 0.0002545500000000 ] - [ -0.0000294200000000, 0.0000003900000000, 0.0000057700000000 ] - [ -0.0000007800000000, 0.0000007100000000, -0.0003846400000000 ] - [ 0.0000001600000000, 0.0000006200000000, -0.0001052000000000 ] - [ 0.0000013500000000, 0.0000006200000000, -0.0002554300000000 ] - [ -0.0002753600000000, 0.0000007400000000, -0.0001822900000000 ] - [ -0.0001876900000000, 0.0000007200000000, -0.0001816500000000 ] - [ 0.0000000400000000, 0.0000004800000000, 0.0000670800000000 ]- atom: 3 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0005652700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005683000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0610239400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004852500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005710800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005142400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008321800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006704500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006208200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006298000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004523400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007143700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005274700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007093300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005031300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004084100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005749400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005156000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008483700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006860600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001016000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003785400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004357900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002033200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003862000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004458000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001055000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002548700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001924900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000246200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003090900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003041400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002203400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001034100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002718800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000080400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005976100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002031800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003167000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004351900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0299972100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004379100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002698300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005544100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001848400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005404800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001833600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003716800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001320500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000784500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004907000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0304727900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000065800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002579800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006346400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003602700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005088300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002129600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001952700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001873000000000 ]- atom: 3 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0004413800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004345700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0612261300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005132400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004332500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004908800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001714800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003328600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003853200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003716700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005539500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002883100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004817600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004092200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005062200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005900900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005252000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004875700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001547800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003177200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003996600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001282300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000615800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003268000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001119700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000608500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004031700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002530900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003144500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005285100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001886700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001974300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002877400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004035300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002317200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005003900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000997900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002982300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001823400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000675900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0306400100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000592600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002365800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000460000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003230300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000430100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003221300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001405900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003655100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004327200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000179200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0301447000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005059600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002747100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001327500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001483200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000025400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001546300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001664100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003205300000000 ]- atom: 4 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000003400000000, 0.0000000800000000, 0.0000613000000000 ] - [ -0.0000001700000000, 0.0000000500000000, 0.0000662600000000 ] - [ -0.0000010700000000, -0.0000003900000000, 0.0001290200000000 ] - [ -0.0214447900000000, 0.0000008200000000, -0.0000237800000000 ] - [ 0.0000009500000000, -0.0000004100000000, 0.0000690100000000 ] - [ -0.0000001500000000, 0.0000000800000000, 0.0000115200000000 ] - [ -0.0000011700000000, -0.0000004400000000, 0.0003302300000000 ] - [ -0.0000007600000000, 0.0000000500000000, 0.0001686300000000 ] - [ 0.0000340500000000, -0.0000001400000000, 0.0001176500000000 ] - [ -0.0000000800000000, 0.0000000300000000, 0.0001289300000000 ] - [ -0.0000012300000000, -0.0000004000000000, -0.0000503200000000 ] - [ -0.0000013900000000, 0.0000000600000000, 0.0002128900000000 ] - [ -0.0000008100000000, -0.0000004300000000, 0.0000236700000000 ] - [ -0.0000012000000000, -0.0000004500000000, 0.0001484700000000 ] - [ 0.0000341100000000, -0.0000003500000000, -0.0000020700000000 ] - [ -0.0000007300000000, 0.0000000100000000, -0.0000908700000000 ] - [ -0.0000002800000000, 0.0000000300000000, 0.0000253200000000 ] - [ -0.0000013200000000, 0.0000000400000000, 0.0000136500000000 ] - [ 0.0000002900000000, -0.0000003900000000, 0.0003462100000000 ] - [ 0.0000001700000000, -0.0000004000000000, 0.0001841200000000 ] - [ -0.0000004500000000, 0.0000000200000000, 0.0001483900000000 ] - [ -0.0000019800000000, 0.0000001500000000, -0.0001238200000000 ] - [ -0.0000024600000000, 0.0000001900000000, -0.0001885700000000 ] - [ -0.0000016700000000, -0.0000000200000000, 0.0000625700000000 ] - [ -0.0000016700000000, 0.0000002300000000, -0.0001389700000000 ] - [ -0.0000006900000000, 0.0000001500000000, -0.0001913300000000 ] - [ -0.0000008500000000, 0.0000001500000000, 0.0001500100000000 ] - [ 0.0000005300000000, -0.0000000100000000, -0.0000009900000000 ] - [ 0.0000001700000000, -0.0000000100000000, 0.0000621500000000 ] - [ -0.0000003200000000, 0.0000000000000000, 0.0002746600000000 ] - [ -0.0000025200000000, 0.0000002400000000, -0.0000618900000000 ] - [ -0.0000003900000000, 0.0000002200000000, -0.0000549100000000 ] - [ -0.0000010500000000, -0.0000000200000000, 0.0000342500000000 ] - [ -0.0000010100000000, -0.0000000100000000, 0.0001509600000000 ] - [ 0.0109676600000000, -0.0002045500000000, -0.0002686200000000 ] - [ -0.0000009100000000, -0.0000000300000000, 0.0002471800000000 ] - [ -0.0000759800000000, -0.0000005200000000, -0.0003497700000000 ] - [ -0.0000012200000000, 0.0000000100000000, 0.0000460000000000 ] - [ 0.0000003600000000, 0.0000001200000000, -0.0000688100000000 ] - [ -0.0000003200000000, 0.0000000200000000, -0.0001848100000000 ] - [ -0.0000008500000000, 0.0000003000000000, -0.0002154300000000 ] - [ -0.0000014200000000, 0.0000002700000000, -0.0001902000000000 ] - [ -0.0000009500000000, 0.0000001500000000, -0.0000156000000000 ] - [ 0.0107260400000000, 0.0002041900000000, -0.0000522700000000 ] - [ -0.0000007100000000, 0.0000001500000000, 0.0000691000000000 ] - [ -0.0000040600000000, 0.0000002400000000, -0.0002924900000000 ] - [ -0.0000016400000000, -0.0000000600000000, 0.0000692800000000 ] - [ -0.0001886100000000, -0.0000000700000000, -0.0001158300000000 ] - [ 0.0000006800000000, 0.0000000800000000, 0.0001129700000000 ] - [ -0.0000004600000000, -0.0000000300000000, 0.0001771800000000 ] - [ -0.0000014400000000, 0.0000001500000000, -0.0002362900000000 ] - [ 0.0000005400000000, -0.0000000200000000, 0.0000570900000000 ] - [ -0.0000010600000000, 0.0000000100000000, 0.0002546600000000 ] - [ -0.0000009800000000, -0.0000000300000000, 0.0000058400000000 ] - [ -0.0000308500000000, 0.0000003000000000, -0.0003846500000000 ] - [ -0.0000006100000000, 0.0000001500000000, -0.0001051400000000 ] - [ -0.0000018000000000, 0.0000001500000000, -0.0002554000000000 ] - [ -0.0000012200000000, 0.0000001100000000, -0.0001823700000000 ] - [ -0.0000009200000000, 0.0000001900000000, -0.0001811500000000 ] - [ 0.0000203400000000, 0.0000000200000000, 0.0000671600000000 ]- atom: 4 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0005653300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005692200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006305600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0612573800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005698400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005157000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008301300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006693100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006677100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006299300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004492900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007150300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005232600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006473800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005479100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004104800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005260800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005144800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008467800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006842100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000970200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003780000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004355500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001917700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003858100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004439500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001025000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002527000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001905500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000299900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003085800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003011200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002179100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001016800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0301815300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000052100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002838500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001998000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003140500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004300900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004626700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004363000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002682900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0300603100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001826200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005402000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001802900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001254600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001313300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000752500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004889800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001945600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000091100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002388100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006476300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003575400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005070700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004289100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004335900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001965500000000 ]- atom: 4 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0004411100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004351400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003711900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0611832000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004319200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004933300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001697500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003325800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004326900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003723900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005506400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002889200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004770400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003485100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005524200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005920500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004764900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004872700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001545800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003169100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003960500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001279300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000618300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003143300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001115400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000593900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004001200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002496600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003123200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005227300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001880700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001943000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002848600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004017900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0304387300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004974300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004162700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002948100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001796600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000631100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000358300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000582600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002353400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0304431700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003186900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000421000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003212500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001019300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003601300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004286000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000148600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003061500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005034400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002545700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001190700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001451300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000049700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000671300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000689600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003297200000000 ]- atom: 5 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000005000000000, 0.0000007000000000, 0.0000610200000000 ] - [ 0.0000014000000000, 0.0000006500000000, 0.0000659700000000 ] - [ 0.0000012700000000, 0.0000002100000000, 0.0001288000000000 ] - [ 0.0000015200000000, 0.0000006800000000, -0.0000143800000000 ] - [ -0.0215377500000000, -0.0000375000000000, 0.0000742500000000 ] - [ -0.0000010800000000, 0.0000006900000000, 0.0000112900000000 ] - [ 0.0000008000000000, 0.0000001900000000, 0.0003299900000000 ] - [ 0.0000006200000000, 0.0000006700000000, 0.0001684200000000 ] - [ 0.0000021700000000, 0.0000001800000000, 0.0001173300000000 ] - [ 0.0000346100000000, 0.0000005600000000, 0.0001285400000000 ] - [ 0.0000019000000000, 0.0000002200000000, -0.0000506000000000 ] - [ -0.0000007400000000, 0.0000006700000000, 0.0002126400000000 ] - [ 0.0000031200000000, 0.0000001900000000, 0.0000234500000000 ] - [ 0.0000019200000000, 0.0000001600000000, 0.0001482400000000 ] - [ 0.0000018700000000, 0.0000001800000000, -0.0000022500000000 ] - [ -0.0000006500000000, 0.0000006300000000, -0.0000912100000000 ] - [ 0.0000346500000000, 0.0000003500000000, 0.0000252800000000 ] - [ -0.0000006400000000, 0.0000006500000000, 0.0000133800000000 ] - [ 0.0000014100000000, 0.0000002100000000, 0.0003459600000000 ] - [ 0.0000018900000000, 0.0000002100000000, 0.0001838400000000 ] - [ 0.0000008100000000, 0.0000006200000000, 0.0001481400000000 ] - [ -0.0001879500000000, 0.0000008100000000, -0.0001245500000000 ] - [ 0.0000005800000000, 0.0000008100000000, -0.0001888300000000 ] - [ 0.0000003300000000, 0.0000005900000000, 0.0000623300000000 ] - [ 0.0109763800000000, 0.0002055200000000, -0.0003866900000000 ] - [ 0.0000004700000000, 0.0000007700000000, -0.0001915800000000 ] - [ 0.0000015400000000, 0.0000007600000000, 0.0001497800000000 ] - [ -0.0000003100000000, 0.0000006100000000, -0.0000011900000000 ] - [ 0.0107360800000000, -0.0002035600000000, 0.0003092900000000 ] - [ -0.0000292400000000, 0.0000005700000000, 0.0002743400000000 ] - [ 0.0000006400000000, 0.0000008500000000, -0.0000621700000000 ] - [ 0.0000005100000000, 0.0000008400000000, -0.0000551900000000 ] - [ 0.0000004500000000, 0.0000006000000000, 0.0000340100000000 ] - [ 0.0000001800000000, 0.0000005900000000, 0.0001507100000000 ] - [ -0.0000006600000000, 0.0000006500000000, -0.0000215500000000 ] - [ -0.0000001500000000, 0.0000005900000000, 0.0002469700000000 ] - [ -0.0000006300000000, 0.0000008300000000, -0.0003501900000000 ] - [ 0.0000002400000000, 0.0000006300000000, 0.0000456900000000 ] - [ -0.0000004000000000, 0.0000007300000000, -0.0000690900000000 ] - [ -0.0000004100000000, 0.0000006400000000, -0.0001850700000000 ] - [ -0.0000002400000000, 0.0000009100000000, -0.0002157500000000 ] - [ 0.0000000300000000, 0.0000008800000000, -0.0001904600000000 ] - [ -0.0000006700000000, 0.0000007600000000, -0.0000158300000000 ] - [ 0.0000003800000000, 0.0000007400000000, -0.0002997800000000 ] - [ 0.0000012000000000, 0.0000007600000000, 0.0000688700000000 ] - [ -0.0000005700000000, 0.0000008500000000, -0.0002927500000000 ] - [ -0.0000000500000000, 0.0000005500000000, 0.0000690000000000 ] - [ 0.0000002800000000, 0.0000006000000000, -0.0001155400000000 ] - [ 0.0000015300000000, 0.0000006900000000, 0.0001126800000000 ] - [ 0.0000007200000000, 0.0000005800000000, 0.0001769600000000 ] - [ 0.0000015700000000, 0.0000007600000000, -0.0002365000000000 ] - [ 0.0000010300000000, 0.0000005900000000, 0.0000568600000000 ] - [ -0.0000023800000000, 0.0000006300000000, 0.0002543600000000 ] - [ -0.0000746100000000, 0.0000013000000000, 0.0000057400000000 ] - [ 0.0000004700000000, 0.0000008500000000, -0.0003848500000000 ] - [ 0.0000005500000000, 0.0000007600000000, -0.0001053700000000 ] - [ 0.0000006000000000, 0.0000007600000000, -0.0002556100000000 ] - [ 0.0000015300000000, 0.0000007100000000, -0.0001826600000000 ] - [ 0.0000214800000000, 0.0000007700000000, -0.0001813900000000 ] - [ 0.0000009100000000, 0.0000006000000000, 0.0000669100000000 ]- atom: 5 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0005643700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005672400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006331400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004863700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0611630800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005111700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008318400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006688600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006182100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006785600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004547400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007125000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005259000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006493200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004992200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004070400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005746200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005121000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008465100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006838500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000999200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001346600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004341200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001900700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0300667900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004439200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001026000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002550800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0304213700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000124900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003069700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003000400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002181400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001021200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002682000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000052000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005970300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002000400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003155500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004331700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004608200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004358900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002695700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005525900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001830300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005401800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001810600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003675700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001326900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000747800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004877700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001957500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000069600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000757000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006300700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003583700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005079700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004302100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004456100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001850300000000 ]- atom: 5 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0004412400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004340000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003742800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005150100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0612853900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004885400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001714700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003319900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003830800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004214100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005558700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002871900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004789700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003517600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005038600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005894600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005252400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004847200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001543400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003169300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003974400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001126400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000593600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003125300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0305577800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000587600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003994200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002525100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0300829700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005401400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001857300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001924000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002847300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004017100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002274000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004971300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001011000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002940300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001806800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000648800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000343400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000565500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002358500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000484300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003200500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000438300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003198000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001358000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003606700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004282100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000141500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003055000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005052200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000631600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001379500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001458800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000041500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000671700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000803800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003175600000000 ]- atom: 6 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000011900000000, 0.0000000800000000, 0.0000610300000000 ] - [ -0.0000007400000000, 0.0000000700000000, 0.0000659400000000 ] - [ -0.0000014200000000, -0.0000003900000000, 0.0001288600000000 ] - [ -0.0000005000000000, 0.0000000700000000, -0.0000143600000000 ] - [ -0.0000018900000000, -0.0000004000000000, 0.0000688600000000 ] - [ -0.0214457200000000, 0.0000003100000000, 0.0000143800000000 ] - [ -0.0000010600000000, -0.0000004200000000, 0.0003300600000000 ] - [ -0.0000005300000000, 0.0000000700000000, 0.0001685000000000 ] - [ -0.0000014300000000, -0.0000004200000000, 0.0001173700000000 ] - [ 0.0000008300000000, 0.0000000400000000, 0.0001288000000000 ] - [ -0.0000013700000000, -0.0000003900000000, -0.0000506100000000 ] - [ -0.0000001200000000, 0.0000000700000000, 0.0002127200000000 ] - [ 0.0000337600000000, -0.0000001300000000, 0.0000235600000000 ] - [ 0.0000338700000000, -0.0000003600000000, 0.0001481900000000 ] - [ -0.0000009500000000, -0.0000004300000000, -0.0000022100000000 ] - [ -0.0000000600000000, 0.0000000300000000, -0.0000911600000000 ] - [ -0.0000007700000000, 0.0000000400000000, 0.0000251800000000 ] - [ 0.0000008000000000, 0.0000000400000000, 0.0000133900000000 ] - [ -0.0000014000000000, -0.0000003800000000, 0.0003460600000000 ] - [ -0.0000019200000000, -0.0000003900000000, 0.0001838500000000 ] - [ -0.0000006500000000, 0.0000000200000000, 0.0001481900000000 ] - [ -0.0000010500000000, 0.0000001600000000, -0.0001240400000000 ] - [ -0.0000764300000000, -0.0000005500000000, -0.0001885600000000 ] - [ -0.0001904600000000, -0.0000000500000000, 0.0000618100000000 ] - [ -0.0000018500000000, 0.0000002400000000, -0.0001392200000000 ] - [ 0.0107297700000000, 0.0002042800000000, 0.0000558300000000 ] - [ -0.0000012500000000, 0.0000001600000000, 0.0001497800000000 ] - [ -0.0000019700000000, 0.0000000000000000, -0.0000011500000000 ] - [ -0.0000014500000000, 0.0000000000000000, 0.0000619100000000 ] - [ -0.0000011100000000, 0.0000000100000000, 0.0002744000000000 ] - [ 0.0000005800000000, 0.0000002400000000, -0.0000621600000000 ] - [ -0.0000027100000000, 0.0000002400000000, -0.0000551700000000 ] - [ 0.0000201600000000, 0.0000000200000000, 0.0000340600000000 ] - [ -0.0000013900000000, -0.0000000100000000, 0.0001507500000000 ] - [ -0.0000005900000000, 0.0000000500000000, -0.0000214900000000 ] - [ -0.0000007200000000, -0.0000000100000000, 0.0002469500000000 ] - [ -0.0000014700000000, 0.0000002200000000, -0.0003501400000000 ] - [ 0.0000003700000000, 0.0000000200000000, 0.0000457500000000 ] - [ -0.0000014700000000, 0.0000001300000000, -0.0000690100000000 ] - [ -0.0000008000000000, 0.0000000200000000, -0.0001850100000000 ] - [ -0.0000001100000000, 0.0000003100000000, -0.0002157100000000 ] - [ -0.0000004800000000, 0.0000002700000000, -0.0001903800000000 ] - [ -0.0000009000000000, 0.0000001500000000, -0.0000157700000000 ] - [ -0.0000000500000000, 0.0000001400000000, -0.0002997500000000 ] - [ -0.0000016000000000, 0.0000001600000000, 0.0000689400000000 ] - [ -0.0000024500000000, 0.0000002500000000, -0.0002926800000000 ] - [ 0.0000002600000000, -0.0000000500000000, 0.0000691000000000 ] - [ -0.0000008900000000, 0.0000000000000000, -0.0001155200000000 ] - [ 0.0109747300000000, -0.0002045800000000, -0.0001346900000000 ] - [ -0.0000008700000000, -0.0000000300000000, 0.0001770100000000 ] - [ -0.0000015100000000, 0.0000001500000000, -0.0002364500000000 ] - [ -0.0000028300000000, -0.0000000100000000, 0.0000568800000000 ] - [ -0.0000000300000000, 0.0000000200000000, 0.0002543800000000 ] - [ -0.0000011900000000, -0.0000000400000000, 0.0000055800000000 ] - [ -0.0000015500000000, 0.0000002400000000, -0.0003847900000000 ] - [ -0.0000010300000000, 0.0000001600000000, -0.0001053500000000 ] - [ -0.0000004600000000, 0.0000001600000000, -0.0002555800000000 ] - [ -0.0000306500000000, 0.0000001800000000, -0.0001826800000000 ] - [ -0.0000001200000000, 0.0000002000000000, -0.0001813600000000 ] - [ -0.0000019700000000, 0.0000000000000000, 0.0000669200000000 ]- atom: 6 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0005643300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005691300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006324300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004886800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005676800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0611695600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008289100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006712000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006145400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006286400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004484800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007145000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005720300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006980100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004966700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004104900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005256700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005130000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008451600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006823400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000988100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003785000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001226200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000508600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003861300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0301661800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001046100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002559100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001925500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000286600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003080800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003033400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002308700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001029400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002679500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000065600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005951700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001994400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003159400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004318500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004629400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004369300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002692100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005525600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001844300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005407500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001798400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003688600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0303170900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000761100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004898700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001975500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000083300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002400600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006322900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003593700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005091500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004485000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004350200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001887100000000 ]- atom: 6 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0004410900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004365900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003739700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005187100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004307000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0612029200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001693900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003344000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003804000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003717900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005507700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002900400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005267000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004004500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005016700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005932900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004765400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004862300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001538400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003160000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003967700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001273600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002544100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000750400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001107200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0303337400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004011800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002519400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003132400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005231300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001867400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001955800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002970100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004019400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002272400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004976900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001029500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002935400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001802700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000638600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000346200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000577100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002354500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000494000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003196000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000426700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003198200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001358200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0303059800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004285300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000147700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003087100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005032400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002548700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001352700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001460500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000041000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000860800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000693000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003203800000000 ]- atom: 7 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000005800000000, 0.0000006800000000, 0.0000611400000000 ] - [ -0.0000006700000000, 0.0000006400000000, 0.0000660800000000 ] - [ 0.0000023000000000, 0.0000002100000000, 0.0001289000000000 ] - [ -0.0000006900000000, 0.0000006800000000, -0.0000142800000000 ] - [ 0.0000008300000000, 0.0000002100000000, 0.0000689200000000 ] - [ -0.0000001000000000, 0.0000006800000000, 0.0000113900000000 ] - [ -0.0215352800000000, -0.0000370400000000, 0.0003281900000000 ] - [ 0.0000345800000000, 0.0000005700000000, 0.0001683900000000 ] - [ 0.0000014100000000, 0.0000001800000000, 0.0001174500000000 ] - [ -0.0000006600000000, 0.0000006400000000, 0.0001288800000000 ] - [ 0.0000020600000000, 0.0000002100000000, -0.0000505100000000 ] - [ 0.0000345600000000, 0.0000003700000000, 0.0002129900000000 ] - [ 0.0000019400000000, 0.0000001800000000, 0.0000235300000000 ] - [ 0.0000024500000000, 0.0000001500000000, 0.0001483900000000 ] - [ 0.0000009600000000, 0.0000001600000000, -0.0000021500000000 ] - [ 0.0000007200000000, 0.0000006200000000, -0.0000910900000000 ] - [ 0.0000008400000000, 0.0000006300000000, 0.0000252200000000 ] - [ 0.0000015700000000, 0.0000006400000000, 0.0000135000000000 ] - [ 0.0000014300000000, 0.0000002100000000, 0.0003461300000000 ] - [ 0.0000019100000000, 0.0000002000000000, 0.0001839800000000 ] - [ -0.0000006200000000, 0.0000006200000000, 0.0001482700000000 ] - [ 0.0000000800000000, 0.0000007400000000, -0.0001239800000000 ] - [ 0.0000006700000000, 0.0000008000000000, -0.0001886700000000 ] - [ 0.0000015300000000, 0.0000005900000000, 0.0000624300000000 ] - [ -0.0000000100000000, 0.0000008400000000, -0.0001391000000000 ] - [ 0.0000004700000000, 0.0000007600000000, -0.0001914700000000 ] - [ 0.0000214600000000, 0.0000007300000000, 0.0001498400000000 ] - [ 0.0000009800000000, 0.0000005900000000, -0.0000011000000000 ] - [ 0.0000008000000000, 0.0000005900000000, 0.0000619800000000 ] - [ 0.0000013000000000, 0.0000006000000000, 0.0002745100000000 ] - [ -0.0000002100000000, 0.0000008400000000, -0.0000620400000000 ] - [ 0.0109751500000000, 0.0002055000000000, -0.0003024900000000 ] - [ 0.0000019500000000, 0.0000005800000000, 0.0000341000000000 ] - [ 0.0107336800000000, -0.0002035500000000, 0.0003981900000000 ] - [ -0.0000023300000000, 0.0000006400000000, -0.0000213700000000 ] - [ 0.0000010600000000, 0.0000005800000000, 0.0002470100000000 ] - [ 0.0000006600000000, 0.0000008200000000, -0.0003500200000000 ] - [ -0.0000290700000000, 0.0000005800000000, 0.0000458400000000 ] - [ 0.0000006500000000, 0.0000007200000000, -0.0000689200000000 ] - [ 0.0000002900000000, 0.0000006300000000, -0.0001849300000000 ] - [ 0.0000007400000000, 0.0000009100000000, -0.0002155900000000 ] - [ 0.0000005500000000, 0.0000008700000000, -0.0001902700000000 ] - [ -0.0000005900000000, 0.0000007500000000, -0.0000157300000000 ] - [ 0.0000015800000000, 0.0000007400000000, -0.0002997000000000 ] - [ 0.0000006700000000, 0.0000007500000000, 0.0000689800000000 ] - [ -0.0000005700000000, 0.0000008400000000, -0.0002925800000000 ] - [ -0.0000004500000000, 0.0000005500000000, 0.0000691700000000 ] - [ 0.0000002400000000, 0.0000005900000000, -0.0001154700000000 ] - [ 0.0000005200000000, 0.0000006800000000, 0.0001128600000000 ] - [ 0.0000003000000000, 0.0000005800000000, 0.0001770800000000 ] - [ 0.0000004200000000, 0.0000007500000000, -0.0002364100000000 ] - [ -0.0000003300000000, 0.0000005800000000, 0.0000569500000000 ] - [ -0.0000742700000000, 0.0000013400000000, 0.0002546300000000 ] - [ -0.0000008100000000, 0.0000005700000000, 0.0000057000000000 ] - [ 0.0000005500000000, 0.0000008400000000, -0.0003846800000000 ] - [ -0.0001876900000000, 0.0000008100000000, -0.0001057800000000 ] - [ 0.0000005800000000, 0.0000007500000000, -0.0002555200000000 ] - [ 0.0000004200000000, 0.0000007100000000, -0.0001825200000000 ] - [ 0.0000001400000000, 0.0000008000000000, -0.0001812800000000 ] - [ -0.0000001200000000, 0.0000006000000000, 0.0000670000000000 ]- atom: 7 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0005619000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005646700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006326500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004852000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005702700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005108600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0608889400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007180500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006207100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006282900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004509200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007624500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005280300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006504900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004972000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004088700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005248500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005141400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008471700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006846900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000996200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003769900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004346700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001896200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003849400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004437500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001142900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002526600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001906800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000281800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003086200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0301491200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002171400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0305119800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002698400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000053300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005959000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002181600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003134100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004317000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004605300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004364200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002700100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005518900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001828300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005403600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001829500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003680000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001342700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000748100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004890200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001973700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003200700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002414100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006307600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001152000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005082100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004318600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004337400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001848800000000 ]- atom: 7 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0004392100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004316700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003742200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005147900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004337200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004892300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0615636100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003824100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003860000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003714500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005537200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003377600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004833200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003521100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005024500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005922100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004766400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004875900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001557500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003178800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003972200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001260800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000595900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003115200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001094900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000584500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004112800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002491200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003115400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005233800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001867200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0304743600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002833400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0299948800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002287700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004968100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001023800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003120200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001776700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000632600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000324900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000570200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002363900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000498000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003184900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000435400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003222400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001353700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003618200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004275900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000143700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003080100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001887800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002558800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001372400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000930500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000047000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000686900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000682800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003167800000000 ]- atom: 8 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000004600000000, 0.0000000900000000, 0.0000609200000000 ] - [ -0.0000006700000000, 0.0000000400000000, 0.0000658700000000 ] - [ 0.0000007100000000, -0.0000003900000000, 0.0001286500000000 ] - [ -0.0000010500000000, 0.0000000500000000, -0.0000144300000000 ] - [ -0.0000000200000000, -0.0000004100000000, 0.0000686500000000 ] - [ -0.0000004600000000, 0.0000000800000000, 0.0000111800000000 ] - [ 0.0000337600000000, -0.0000001400000000, 0.0003300100000000 ] - [ -0.0214346900000000, 0.0000008000000000, 0.0001794900000000 ] - [ 0.0000337300000000, -0.0000003300000000, 0.0001171800000000 ] - [ -0.0000016000000000, 0.0000000400000000, 0.0001286100000000 ] - [ -0.0000001700000000, -0.0000004000000000, -0.0000507000000000 ] - [ -0.0000011500000000, 0.0000000500000000, 0.0002125100000000 ] - [ -0.0000015300000000, -0.0000004300000000, 0.0000233100000000 ] - [ -0.0000010200000000, -0.0000004600000000, 0.0001481300000000 ] - [ -0.0000015000000000, -0.0000004400000000, -0.0000022800000000 ] - [ -0.0000016900000000, 0.0000000300000000, -0.0000912600000000 ] - [ -0.0000004700000000, 0.0000000300000000, 0.0000249400000000 ] - [ -0.0000003700000000, 0.0000000400000000, 0.0000133200000000 ] - [ -0.0000015000000000, -0.0000003900000000, 0.0003458500000000 ] - [ 0.0000007200000000, -0.0000003900000000, 0.0001837800000000 ] - [ -0.0000019000000000, 0.0000000200000000, 0.0001480200000000 ] - [ -0.0000011800000000, 0.0000001500000000, -0.0001241600000000 ] - [ -0.0000015200000000, 0.0000001800000000, -0.0001889000000000 ] - [ -0.0000009400000000, -0.0000000100000000, 0.0000622300000000 ] - [ -0.0000028400000000, 0.0000002300000000, -0.0001393100000000 ] - [ -0.0000000600000000, 0.0000001600000000, -0.0001916600000000 ] - [ -0.0000009100000000, 0.0000001500000000, 0.0001496900000000 ] - [ -0.0000007600000000, 0.0000000000000000, -0.0000013000000000 ] - [ -0.0000012300000000, -0.0000000200000000, 0.0000618200000000 ] - [ -0.0000013600000000, 0.0000000000000000, 0.0002743100000000 ] - [ -0.0000007000000000, 0.0000002300000000, -0.0000622500000000 ] - [ -0.0000764200000000, -0.0000005100000000, -0.0000551000000000 ] - [ -0.0000019400000000, -0.0000000300000000, 0.0000339100000000 ] - [ 0.0000200700000000, 0.0000000000000000, 0.0001506400000000 ] - [ -0.0000006600000000, 0.0000000300000000, -0.0000216500000000 ] - [ -0.0000013200000000, -0.0000000200000000, 0.0002468500000000 ] - [ -0.0000311100000000, 0.0000002800000000, -0.0003503500000000 ] - [ 0.0109701000000000, -0.0002046100000000, -0.0002017700000000 ] - [ 0.0000004200000000, 0.0000001200000000, -0.0000691800000000 ] - [ -0.0000007300000000, 0.0000000200000000, -0.0001851800000000 ] - [ -0.0000020000000000, 0.0000003000000000, -0.0002158300000000 ] - [ -0.0000026400000000, 0.0000002600000000, -0.0001905500000000 ] - [ -0.0000010200000000, 0.0000001400000000, -0.0000159200000000 ] - [ -0.0000020900000000, 0.0000001400000000, -0.0002999000000000 ] - [ -0.0000016900000000, 0.0000001500000000, 0.0000687900000000 ] - [ -0.0000017800000000, 0.0000002500000000, -0.0002928700000000 ] - [ -0.0000008600000000, -0.0000000700000000, 0.0000689200000000 ] - [ 0.0000002200000000, -0.0000000200000000, -0.0001156800000000 ] - [ -0.0000005900000000, 0.0000000700000000, 0.0001126100000000 ] - [ -0.0000009600000000, -0.0000000300000000, 0.0001768600000000 ] - [ -0.0000010200000000, 0.0000001500000000, -0.0002366100000000 ] - [ -0.0000001400000000, -0.0000000300000000, 0.0000567700000000 ] - [ -0.0000015600000000, 0.0000000100000000, 0.0002542700000000 ] - [ -0.0000006200000000, -0.0000000400000000, 0.0000054900000000 ] - [ -0.0000043800000000, 0.0000002400000000, -0.0003849700000000 ] - [ 0.0107296000000000, 0.0002042600000000, 0.0001418500000000 ] - [ -0.0000017800000000, 0.0000001500000000, -0.0002557400000000 ] - [ -0.0000016000000000, 0.0000001000000000, -0.0001827400000000 ] - [ -0.0000023200000000, 0.0000001900000000, -0.0001814600000000 ] - [ -0.0001883600000000, -0.0000000700000000, 0.0000663400000000 ]- atom: 8 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0005693100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005666900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006318400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004857800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005686800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005141700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008794600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0610304700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006665600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006287100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004489000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007135000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005205400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006482000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004969700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004100000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005261200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005138900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008449800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006835600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000999700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003771000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004335700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001900400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003868400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004434700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001032100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002541700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001911600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000280400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003091200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000118200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002207100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001137600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002677300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000062500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006135200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0302508100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003142100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004311900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004632700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004382800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002686800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005522500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001833800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005398100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001800900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003678700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001337500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000758900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004888800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001962700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000077700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002396700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006337800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0302541600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005087200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004327600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004359600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000553600000000 ]- atom: 8 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0004466600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004341100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003735400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005152900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004318300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004924300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002201800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0613865200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004329900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003715800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005513600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002897400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004754300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003503700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005021400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005935100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004780100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004870600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001539000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003174000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003977900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001258800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000587100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003114100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001114000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000579600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003997300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002501800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003118000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005236400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001876300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001219000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002865400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004127600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002270600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004973200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000848300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0303738700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001784100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000630400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000349600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000592500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002349300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000497800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003184600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000438800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003200000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001347800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003613900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004282600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000137900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003070700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005035500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002544100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001339800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0302497200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000045700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000700900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000701900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000811500000000 ]- atom: 9 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000003300000000, 0.0000006300000000, 0.0000609200000000 ] - [ 0.0000013800000000, 0.0000005900000000, 0.0000658500000000 ] - [ 0.0000016900000000, 0.0000001700000000, 0.0001286800000000 ] - [ 0.0000344000000000, 0.0000005300000000, -0.0000146100000000 ] - [ 0.0000020100000000, 0.0000001400000000, 0.0000686900000000 ] - [ -0.0000007400000000, 0.0000006300000000, 0.0000111900000000 ] - [ 0.0000012300000000, 0.0000001300000000, 0.0003299200000000 ] - [ 0.0000343300000000, 0.0000003200000000, 0.0001684800000000 ] - [ -0.0215231500000000, -0.0000341000000000, 0.0001283600000000 ] - [ 0.0000006900000000, 0.0000005900000000, 0.0001286400000000 ] - [ 0.0000007600000000, 0.0000001600000000, -0.0000507100000000 ] - [ -0.0000008200000000, 0.0000006100000000, 0.0002126000000000 ] - [ 0.0000018200000000, 0.0000001200000000, 0.0000233400000000 ] - [ 0.0000018600000000, 0.0000000900000000, 0.0001481100000000 ] - [ 0.0000012100000000, 0.0000001200000000, -0.0000023200000000 ] - [ -0.0000008100000000, 0.0000005800000000, -0.0000913100000000 ] - [ 0.0000013500000000, 0.0000005800000000, 0.0000249900000000 ] - [ 0.0000005600000000, 0.0000006000000000, 0.0000132600000000 ] - [ 0.0000007400000000, 0.0000001600000000, 0.0003459000000000 ] - [ 0.0000019700000000, 0.0000001500000000, 0.0001837400000000 ] - [ 0.0000001200000000, 0.0000005700000000, 0.0001479500000000 ] - [ 0.0000000300000000, 0.0000007100000000, -0.0001240900000000 ] - [ 0.0000014800000000, 0.0000007500000000, -0.0001889800000000 ] - [ 0.0000017600000000, 0.0000005300000000, 0.0000623000000000 ] - [ 0.0000005900000000, 0.0000007900000000, -0.0001394100000000 ] - [ -0.0000007300000000, 0.0000007100000000, -0.0001915800000000 ] - [ -0.0000000700000000, 0.0000006900000000, 0.0001497400000000 ] - [ 0.0000001000000000, 0.0000005500000000, -0.0000012200000000 ] - [ -0.0000004700000000, 0.0000005500000000, 0.0000618900000000 ] - [ -0.0000009700000000, 0.0000005500000000, 0.0002742000000000 ] - [ -0.0000001400000000, 0.0000007900000000, -0.0000623400000000 ] - [ -0.0000003800000000, 0.0000007700000000, -0.0000553900000000 ] - [ 0.0000008600000000, 0.0000005300000000, 0.0000339900000000 ] - [ 0.0000009200000000, 0.0000005400000000, 0.0001506800000000 ] - [ -0.0000291700000000, 0.0000005400000000, -0.0000217200000000 ] - [ 0.0000006500000000, 0.0000005300000000, 0.0002469000000000 ] - [ 0.0109733400000000, 0.0002054300000000, -0.0005977900000000 ] - [ -0.0000741900000000, 0.0000012900000000, 0.0000456500000000 ] - [ -0.0000007500000000, 0.0000006700000000, -0.0000692600000000 ] - [ -0.0000024300000000, 0.0000005900000000, -0.0001852300000000 ] - [ -0.0000000700000000, 0.0000008500000000, -0.0002159000000000 ] - [ -0.0000006900000000, 0.0000008100000000, -0.0001906000000000 ] - [ -0.0000001500000000, 0.0000006900000000, -0.0000158300000000 ] - [ -0.0001873100000000, 0.0000007600000000, -0.0003002500000000 ] - [ 0.0000002800000000, 0.0000007000000000, 0.0000688500000000 ] - [ 0.0000004200000000, 0.0000007900000000, -0.0002928900000000 ] - [ -0.0000008200000000, 0.0000004900000000, 0.0000688700000000 ] - [ -0.0000002300000000, 0.0000005400000000, -0.0001155600000000 ] - [ 0.0000004400000000, 0.0000006300000000, 0.0001125400000000 ] - [ 0.0000008100000000, 0.0000005200000000, 0.0001769400000000 ] - [ 0.0000004700000000, 0.0000007000000000, -0.0002365200000000 ] - [ 0.0000006100000000, 0.0000005300000000, 0.0000568400000000 ] - [ 0.0000011500000000, 0.0000005700000000, 0.0002541800000000 ] - [ -0.0000001200000000, 0.0000005200000000, 0.0000053800000000 ] - [ 0.0000005100000000, 0.0000007800000000, -0.0003850100000000 ] - [ 0.0000212300000000, 0.0000006700000000, -0.0001054100000000 ] - [ 0.0000014100000000, 0.0000006900000000, -0.0002556300000000 ] - [ 0.0000005200000000, 0.0000006600000000, -0.0001828000000000 ] - [ 0.0000010900000000, 0.0000007400000000, -0.0001814000000000 ] - [ 0.0107297300000000, -0.0002035300000000, 0.0003141900000000 ]- atom: 9 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0005623600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005656800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006324100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005339000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005681700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005078000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008317900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007168100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0610267700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006278000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004480900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007109200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005253800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006512300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004069700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005237900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005125400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008448500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006826200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000998000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003780200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004347300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001903600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003856200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004473900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001046100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002550100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001937800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000257200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003092800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003029000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002199000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001030800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002861200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000069000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0298537000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001089600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003181100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004348200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004622500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004392700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002693700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003118800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001848900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005397900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001825200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003686700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001330800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000760800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004907100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001970100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000069200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002427300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006319600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003706700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005090200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004325500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004355000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0304267700000000 ]- atom: 9 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0004403700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004334800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003748400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005646100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004315100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004869700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001730100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003815900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0613218800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003717400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005507100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002870100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004803100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003547300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005057700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005910200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004762500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004867400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001550100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003177800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003970600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001259000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000593700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003107200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001097300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000609700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004002200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002500600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003135600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005252900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001872500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001943500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002847500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004010600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002451100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004970800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0307692300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000172500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001817700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000660900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000332900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000596200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002347900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002864100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003188600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000442100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003221700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001345500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003601900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004275500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000146100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003069600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005040500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002569600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001361600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001564600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000052400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000693900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000688100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0300785600000000 ]- atom: 10 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000000900000000, 0.0000001000000000, 0.0000611100000000 ] - [ -0.0000006400000000, 0.0000000600000000, 0.0000660000000000 ] - [ -0.0000013400000000, -0.0000003900000000, 0.0001288000000000 ] - [ -0.0000003100000000, 0.0000000700000000, -0.0000142800000000 ] - [ 0.0000338700000000, -0.0000001100000000, 0.0000689600000000 ] - [ 0.0000009600000000, 0.0000000800000000, 0.0000113200000000 ] - [ -0.0000014100000000, -0.0000004300000000, 0.0003301200000000 ] - [ -0.0000015400000000, 0.0000000700000000, 0.0001685600000000 ] - [ 0.0000000000000000, -0.0000004200000000, 0.0001174200000000 ] - [ -0.0214385700000000, 0.0000001900000000, 0.0001296000000000 ] - [ -0.0000014000000000, -0.0000003900000000, -0.0000505400000000 ] - [ -0.0000011300000000, 0.0000000600000000, 0.0002128100000000 ] - [ -0.0000013100000000, -0.0000004200000000, 0.0000234600000000 ] - [ -0.0000018600000000, -0.0000004400000000, 0.0001482500000000 ] - [ 0.0000008600000000, -0.0000004300000000, -0.0000021300000000 ] - [ -0.0000005500000000, 0.0000000400000000, -0.0000910800000000 ] - [ -0.0000010600000000, 0.0000000500000000, 0.0000251100000000 ] - [ -0.0000003800000000, 0.0000000400000000, 0.0000134300000000 ] - [ 0.0000339300000000, -0.0000002900000000, 0.0003459700000000 ] - [ -0.0000013500000000, -0.0000003900000000, 0.0001839300000000 ] - [ -0.0000017600000000, 0.0000000300000000, 0.0001481200000000 ] - [ 0.0107308300000000, 0.0002042900000000, 0.0001234600000000 ] - [ -0.0000024200000000, 0.0000002000000000, -0.0001888100000000 ] - [ -0.0000007900000000, -0.0000000100000000, 0.0000624900000000 ] - [ -0.0000762500000000, -0.0000005000000000, -0.0001390200000000 ] - [ -0.0000014200000000, 0.0000001600000000, -0.0001913900000000 ] - [ -0.0000019900000000, 0.0000001600000000, 0.0001499200000000 ] - [ -0.0000006000000000, 0.0000000000000000, -0.0000010300000000 ] - [ 0.0000201900000000, 0.0000000200000000, 0.0000620800000000 ] - [ 0.0109712900000000, -0.0002046100000000, 0.0000269600000000 ] - [ -0.0000311000000000, 0.0000003100000000, -0.0000622500000000 ] - [ -0.0000042700000000, 0.0000002300000000, -0.0000552400000000 ] - [ -0.0000018800000000, -0.0000000200000000, 0.0000341700000000 ] - [ 0.0000002800000000, -0.0000000100000000, 0.0001508500000000 ] - [ -0.0000018000000000, 0.0000000500000000, -0.0000215700000000 ] - [ -0.0001894500000000, -0.0000000700000000, 0.0002465400000000 ] - [ -0.0000017000000000, 0.0000002300000000, -0.0003502400000000 ] - [ -0.0000006600000000, 0.0000000200000000, 0.0000456800000000 ] - [ -0.0000006700000000, 0.0000001200000000, -0.0000690800000000 ] - [ -0.0000006700000000, 0.0000000300000000, -0.0001850900000000 ] - [ -0.0000006100000000, 0.0000003100000000, -0.0002157000000000 ] - [ -0.0000010800000000, 0.0000002700000000, -0.0001904400000000 ] - [ -0.0000003500000000, 0.0000001500000000, -0.0000156400000000 ] - [ -0.0000009200000000, 0.0000001500000000, -0.0002996400000000 ] - [ -0.0000011300000000, 0.0000001600000000, 0.0000690200000000 ] - [ -0.0000023500000000, 0.0000002600000000, -0.0002927400000000 ] - [ -0.0000012200000000, -0.0000000500000000, 0.0000690400000000 ] - [ -0.0000008400000000, 0.0000000000000000, -0.0001154100000000 ] - [ -0.0000005400000000, 0.0000000900000000, 0.0001127100000000 ] - [ 0.0000003200000000, -0.0000000200000000, 0.0001771300000000 ] - [ -0.0000021800000000, 0.0000001500000000, -0.0002363300000000 ] - [ -0.0000012200000000, -0.0000000100000000, 0.0000570600000000 ] - [ -0.0000005900000000, 0.0000000200000000, 0.0002543100000000 ] - [ -0.0000014600000000, -0.0000000300000000, 0.0000055800000000 ] - [ -0.0000025800000000, 0.0000002400000000, -0.0003848800000000 ] - [ -0.0000016700000000, 0.0000001600000000, -0.0001052400000000 ] - [ -0.0000016100000000, 0.0000001600000000, -0.0002554500000000 ] - [ -0.0000004900000000, 0.0000001100000000, -0.0001826200000000 ] - [ -0.0000008400000000, 0.0000002000000000, -0.0001812000000000 ] - [ -0.0000006900000000, 0.0000000000000000, 0.0000670500000000 ]- atom: 10 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0005658800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005681800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006305500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004853800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006178000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005112200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008288800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006681600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006169300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0610461700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004465400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007152700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005224700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006480200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004975900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004105000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005268600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005161300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008948100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006809800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001005700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0302343600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004364000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001907400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000727900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004447900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001034200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002541800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002032200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0304764200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003256400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003038700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002206300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001023400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002693800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002362900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005970700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002002400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003155900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004312600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004617100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004393600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002690300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005527400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001836300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005420000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001802700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003689600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001338500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000749200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004915500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001970400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000085500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002405800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006327600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003591600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005085600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004315800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004349300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001868000000000 ]- atom: 10 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0004424200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004357400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003723600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005150500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004806500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004891500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001690800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003308900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003824400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0613081400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005484300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002900800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004765900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003500600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005022200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005927900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004774400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004892100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002035900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003141000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003974900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0302680000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000610600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003130300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002048700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000595600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004004200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002513300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003242200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0301410800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002048900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001959500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002871200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004015400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002280500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002586000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001017300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002938800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001801800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000624600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000344900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000596200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002351800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000485100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003203700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000424300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003185700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001369200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003614200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004282100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000177300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003071100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005027300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002557200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001356500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001463800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000036700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000678000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000688900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003191800000000 ]- atom: 11 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000010100000000, 0.0000006900000000, 0.0000610200000000 ] - [ -0.0000007400000000, 0.0000006600000000, 0.0000659600000000 ] - [ 0.0000019700000000, 0.0000002200000000, 0.0001287900000000 ] - [ -0.0000006800000000, 0.0000006800000000, -0.0000143300000000 ] - [ 0.0000019400000000, 0.0000002000000000, 0.0000688000000000 ] - [ -0.0000005300000000, 0.0000006900000000, 0.0000113000000000 ] - [ 0.0000020800000000, 0.0000001800000000, 0.0003300300000000 ] - [ 0.0000007800000000, 0.0000006700000000, 0.0001684800000000 ] - [ 0.0000009600000000, 0.0000001800000000, 0.0001173800000000 ] - [ -0.0000006100000000, 0.0000006500000000, 0.0001287500000000 ] - [ -0.0215389300000000, -0.0000373300000000, -0.0000463900000000 ] - [ 0.0000014500000000, 0.0000006500000000, 0.0002126900000000 ] - [ 0.0000032000000000, 0.0000001900000000, 0.0000234300000000 ] - [ 0.0000024700000000, 0.0000001500000000, 0.0001482100000000 ] - [ 0.0000013800000000, 0.0000001700000000, -0.0000022200000000 ] - [ 0.0000346900000000, 0.0000003400000000, -0.0000909700000000 ] - [ -0.0000006400000000, 0.0000006400000000, 0.0000251000000000 ] - [ 0.0000346500000000, 0.0000005600000000, 0.0000132100000000 ] - [ 0.0000019100000000, 0.0000002200000000, 0.0003460100000000 ] - [ 0.0000014600000000, 0.0000002000000000, 0.0001838500000000 ] - [ -0.0000292100000000, 0.0000005700000000, 0.0001481400000000 ] - [ 0.0000016200000000, 0.0000007600000000, -0.0001240700000000 ] - [ 0.0000001600000000, 0.0000008000000000, -0.0001887700000000 ] - [ 0.0000007000000000, 0.0000005900000000, 0.0000623400000000 ] - [ -0.0000005300000000, 0.0000008400000000, -0.0001392000000000 ] - [ 0.0000006600000000, 0.0000007600000000, -0.0001915600000000 ] - [ 0.0000012300000000, 0.0000007600000000, 0.0001497700000000 ] - [ 0.0107357800000000, -0.0002035600000000, 0.0002461900000000 ] - [ -0.0000003100000000, 0.0000006000000000, 0.0000619100000000 ] - [ 0.0000008200000000, 0.0000006100000000, 0.0002744200000000 ] - [ 0.0000000600000000, 0.0000008400000000, -0.0000621500000000 ] - [ 0.0000007000000000, 0.0000008400000000, -0.0000551600000000 ] - [ 0.0000009200000000, 0.0000005900000000, 0.0000340100000000 ] - [ -0.0000003400000000, 0.0000006000000000, 0.0001507000000000 ] - [ 0.0000013100000000, 0.0000006500000000, -0.0000215100000000 ] - [ 0.0000007400000000, 0.0000005900000000, 0.0002469200000000 ] - [ -0.0000000500000000, 0.0000008300000000, -0.0003501500000000 ] - [ -0.0000008100000000, 0.0000006200000000, 0.0000457500000000 ] - [ 0.0000002500000000, 0.0000007300000000, -0.0000690200000000 ] - [ -0.0000745400000000, 0.0000013500000000, -0.0001848400000000 ] - [ 0.0000005300000000, 0.0000009100000000, -0.0002156700000000 ] - [ 0.0000006700000000, 0.0000008700000000, -0.0001903800000000 ] - [ -0.0000000900000000, 0.0000007500000000, -0.0000158300000000 ] - [ 0.0000000600000000, 0.0000007300000000, -0.0002998000000000 ] - [ 0.0000015700000000, 0.0000007600000000, 0.0000688800000000 ] - [ 0.0109753300000000, 0.0002055200000000, -0.0005401300000000 ] - [ -0.0000024000000000, 0.0000005500000000, 0.0000690700000000 ] - [ 0.0000010800000000, 0.0000006000000000, -0.0001155700000000 ] - [ 0.0000026000000000, 0.0000006900000000, 0.0001127400000000 ] - [ -0.0000001300000000, 0.0000005700000000, 0.0001769900000000 ] - [ -0.0001880700000000, 0.0000008100000000, -0.0002370000000000 ] - [ 0.0000002800000000, 0.0000005900000000, 0.0000568700000000 ] - [ 0.0000000100000000, 0.0000006200000000, 0.0002543800000000 ] - [ -0.0000004300000000, 0.0000005800000000, 0.0000056100000000 ] - [ -0.0000002400000000, 0.0000008400000000, -0.0003848300000000 ] - [ 0.0000001300000000, 0.0000007700000000, -0.0001053900000000 ] - [ 0.0000214900000000, 0.0000007300000000, -0.0002556500000000 ] - [ 0.0000012300000000, 0.0000007200000000, -0.0001825900000000 ] - [ 0.0000006400000000, 0.0000008000000000, -0.0001813800000000 ] - [ 0.0000007700000000, 0.0000006100000000, 0.0000668800000000 ]- atom: 11 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0005640100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005662700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006340500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004853700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005743700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005114300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008322200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006689700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006178500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006272100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0612848700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007134300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005260800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006497200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004996700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004588800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005228700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005635000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008462600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006840900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001142700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003761400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004333800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001906000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003857700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004437900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001031400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0303590400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001930600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000273400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003068100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002996800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002188200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001034800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002675700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000056800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005956800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002008800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003154400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001159000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004602100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004357900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002683400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005525500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001830100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0299123300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001812600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003678500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001323300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000745000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002468300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001955700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000077800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002414300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006304900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003579700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005194000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004302600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004344800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001855100000000 ]- atom: 11 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0004406700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004327000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003753000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005143600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004365500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004892300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001723800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003322900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003829000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003697900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0611636000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002881300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004800900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003514100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005050200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006415900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004741200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005367600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001547800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003172300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004130500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001250200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000597200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003119500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001116600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000584000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003998200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0301445200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003138200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005256900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001864800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001929800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002847800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004025900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002276600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004968800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001015000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002959600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001806600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002539300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000331400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000576000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002348500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000490700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003180500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0307118100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003224600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001350200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003611200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004274200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002234800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003065600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005048900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002575400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001362900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001447600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000069000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000688200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000687100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003173600000000 ]- atom: 12 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000004200000000, 0.0000000700000000, 0.0000612000000000 ] - [ -0.0000004900000000, 0.0000000500000000, 0.0000661900000000 ] - [ 0.0000001200000000, -0.0000003900000000, 0.0001289500000000 ] - [ -0.0000016300000000, 0.0000000700000000, -0.0000141400000000 ] - [ -0.0000014400000000, -0.0000004100000000, 0.0000689300000000 ] - [ 0.0000000100000000, 0.0000000900000000, 0.0000114800000000 ] - [ 0.0000338500000000, -0.0000003400000000, 0.0003301300000000 ] - [ -0.0000010800000000, 0.0000000500000000, 0.0001687100000000 ] - [ -0.0000014100000000, -0.0000004400000000, 0.0001175800000000 ] - [ -0.0000011500000000, 0.0000000500000000, 0.0001288700000000 ] - [ 0.0000007800000000, -0.0000003900000000, -0.0000503900000000 ] - [ -0.0214393800000000, 0.0000005900000000, 0.0002057500000000 ] - [ -0.0000009700000000, -0.0000004200000000, 0.0000236100000000 ] - [ -0.0000013300000000, -0.0000004600000000, 0.0001483800000000 ] - [ -0.0000000500000000, -0.0000004400000000, -0.0000019900000000 ] - [ -0.0000002400000000, 0.0000000100000000, -0.0000909600000000 ] - [ -0.0000014800000000, 0.0000000300000000, 0.0000252600000000 ] - [ -0.0000006200000000, 0.0000000500000000, 0.0000136000000000 ] - [ 0.0000338700000000, -0.0000001000000000, 0.0003463200000000 ] - [ -0.0000014100000000, -0.0000004000000000, 0.0001840500000000 ] - [ -0.0000007300000000, 0.0000000100000000, 0.0001483200000000 ] - [ -0.0000008300000000, 0.0000001500000000, -0.0001238100000000 ] - [ -0.0000015100000000, 0.0000001900000000, -0.0001886200000000 ] - [ -0.0000019400000000, -0.0000000200000000, 0.0000625700000000 ] - [ -0.0000006400000000, 0.0000002300000000, -0.0001390300000000 ] - [ -0.0000003600000000, 0.0000001500000000, -0.0001913300000000 ] - [ 0.0107347900000000, 0.0002043300000000, 0.0003974200000000 ] - [ -0.0000008800000000, 0.0000000000000000, -0.0000009900000000 ] - [ -0.0000012500000000, 0.0000000000000000, 0.0000621600000000 ] - [ -0.0000014900000000, 0.0000000000000000, 0.0002745700000000 ] - [ -0.0000763800000000, -0.0000005000000000, -0.0000617600000000 ] - [ -0.0000311100000000, 0.0000002900000000, -0.0000550700000000 ] - [ -0.0000008300000000, -0.0000000200000000, 0.0000342400000000 ] - [ -0.0001889100000000, -0.0000000700000000, 0.0001504200000000 ] - [ -0.0000006900000000, 0.0000000400000000, -0.0000213600000000 ] - [ 0.0000201800000000, 0.0000000100000000, 0.0002471900000000 ] - [ -0.0000042900000000, 0.0000002200000000, -0.0003500300000000 ] - [ -0.0000005800000000, 0.0000000200000000, 0.0000458700000000 ] - [ -0.0000004600000000, 0.0000001200000000, -0.0000688900000000 ] - [ -0.0000017900000000, 0.0000000300000000, -0.0001848900000000 ] - [ -0.0000027400000000, 0.0000002900000000, -0.0002155200000000 ] - [ -0.0000023500000000, 0.0000002700000000, -0.0001902400000000 ] - [ -0.0000000100000000, 0.0000001400000000, -0.0000156000000000 ] - [ -0.0000016900000000, 0.0000001300000000, -0.0002995900000000 ] - [ -0.0000022000000000, 0.0000001500000000, 0.0000691000000000 ] - [ -0.0000025900000000, 0.0000002400000000, -0.0002925700000000 ] - [ -0.0000018500000000, -0.0000000500000000, 0.0000692100000000 ] - [ -0.0000006800000000, -0.0000000100000000, -0.0001153600000000 ] - [ -0.0000007600000000, 0.0000000800000000, 0.0001129000000000 ] - [ -0.0000006500000000, -0.0000000300000000, 0.0001771900000000 ] - [ -0.0000016100000000, 0.0000001500000000, -0.0002362700000000 ] - [ -0.0000011700000000, -0.0000000300000000, 0.0000571100000000 ] - [ 0.0109718500000000, -0.0002046300000000, 0.0000071200000000 ] - [ -0.0000012800000000, -0.0000000300000000, 0.0000057800000000 ] - [ -0.0000017400000000, 0.0000002400000000, -0.0003847000000000 ] - [ -0.0000020400000000, 0.0000001500000000, -0.0001051700000000 ] - [ -0.0000009800000000, 0.0000001600000000, -0.0002554100000000 ] - [ -0.0000024600000000, 0.0000001100000000, -0.0001824300000000 ] - [ -0.0000011300000000, 0.0000001900000000, -0.0001811500000000 ] - [ 0.0000002500000000, 0.0000000000000000, 0.0000670900000000 ]- atom: 12 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0005657200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005704800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006316500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004869800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005678000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005135000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008791700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006695100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006166300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006313600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004492100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0609815700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005222700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006486900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004975400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004078500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005233900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005155600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008953100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006811400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000979900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003773200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004356600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001920400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003855400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004446100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0305097500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002541900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001916500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000282000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000056500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003178900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002186600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001393200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002673200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000177700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005989000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002002000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003152700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004327400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004631600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004394100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002676400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005532700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001857100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005403200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001819600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003688900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001337000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000758300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004892900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001961900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0304589800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002401100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006316100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003580300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005081300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004327800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004345400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001857500000000 ]- atom: 12 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0004425100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004360400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003723400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005152400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004300600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004911400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002194700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003329000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003816900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003742000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005507300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0613721300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004762500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003498800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005017900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005904700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004744600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004882300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002034100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003141100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003970600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001266500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000621100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003138700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001114100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000597500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0299952400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002507500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003128700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005247100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001275700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002115500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002850700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001645700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002278400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005093900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000980000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002956200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001804400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000658400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000357300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000614800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002347500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000482700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003213000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000418700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003231800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001363200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003625400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004288800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000147800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003078200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0301627300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002561000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001349700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001450900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000045900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000714400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000693000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003178000000000 ]- atom: 13 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000344800000000, 0.0000004000000000, 0.0000612500000000 ] - [ -0.0000013000000000, 0.0000006500000000, 0.0000660200000000 ] - [ 0.0000019700000000, 0.0000002300000000, 0.0001287600000000 ] - [ -0.0000002500000000, 0.0000006700000000, -0.0000143500000000 ] - [ 0.0000031000000000, 0.0000002000000000, 0.0000688100000000 ] - [ 0.0000346100000000, 0.0000005900000000, 0.0000111100000000 ] - [ 0.0000019000000000, 0.0000001900000000, 0.0003300200000000 ] - [ -0.0000007700000000, 0.0000006600000000, 0.0001684800000000 ] - [ 0.0000019600000000, 0.0000001800000000, 0.0001173700000000 ] - [ -0.0000006600000000, 0.0000006500000000, 0.0001287500000000 ] - [ 0.0000031500000000, 0.0000002200000000, -0.0000505700000000 ] - [ -0.0000003500000000, 0.0000006600000000, 0.0002127000000000 ] - [ -0.0215454600000000, -0.0000373100000000, 0.0000250700000000 ] - [ 0.0000013400000000, 0.0000001400000000, 0.0001482600000000 ] - [ 0.0000024100000000, 0.0000001700000000, -0.0000021900000000 ] - [ -0.0000005900000000, 0.0000006300000000, -0.0000911500000000 ] - [ -0.0000011400000000, 0.0000006300000000, 0.0000251000000000 ] - [ -0.0000011800000000, 0.0000006500000000, 0.0000134400000000 ] - [ 0.0000024100000000, 0.0000002100000000, 0.0003460100000000 ] - [ 0.0000017300000000, 0.0000002000000000, 0.0001838900000000 ] - [ 0.0000014400000000, 0.0000006100000000, 0.0001481900000000 ] - [ 0.0000005700000000, 0.0000007500000000, -0.0001240700000000 ] - [ 0.0109768100000000, 0.0002054800000000, -0.0004361800000000 ] - [ -0.0000002200000000, 0.0000005900000000, 0.0000623300000000 ] - [ 0.0000001400000000, 0.0000008400000000, -0.0001391500000000 ] - [ -0.0001881000000000, 0.0000008200000000, -0.0001920700000000 ] - [ -0.0000001000000000, 0.0000007600000000, 0.0001497600000000 ] - [ 0.0000003800000000, 0.0000006000000000, -0.0000012300000000 ] - [ 0.0000008100000000, 0.0000006000000000, 0.0000619000000000 ] - [ 0.0000024800000000, 0.0000006100000000, 0.0002744600000000 ] - [ 0.0000012100000000, 0.0000008500000000, -0.0000620900000000 ] - [ 0.0000015700000000, 0.0000008400000000, -0.0000551100000000 ] - [ 0.0107345700000000, -0.0002035600000000, 0.0002813800000000 ] - [ 0.0000008600000000, 0.0000005900000000, 0.0001506900000000 ] - [ 0.0000004100000000, 0.0000006400000000, -0.0000214400000000 ] - [ 0.0000006200000000, 0.0000005800000000, 0.0002469100000000 ] - [ 0.0000006200000000, 0.0000008300000000, -0.0003501100000000 ] - [ 0.0000004800000000, 0.0000006200000000, 0.0000458100000000 ] - [ -0.0000732400000000, 0.0000014400000000, -0.0000688300000000 ] - [ -0.0000005000000000, 0.0000006300000000, -0.0001849900000000 ] - [ 0.0000000600000000, 0.0000009200000000, -0.0002156300000000 ] - [ 0.0000015400000000, 0.0000008700000000, -0.0001903600000000 ] - [ 0.0000209000000000, 0.0000007200000000, -0.0000158800000000 ] - [ 0.0000003700000000, 0.0000007400000000, -0.0002998200000000 ] - [ 0.0000005100000000, 0.0000007600000000, 0.0000688500000000 ] - [ 0.0000005700000000, 0.0000008600000000, -0.0002926500000000 ] - [ 0.0000028900000000, 0.0000005500000000, 0.0000709700000000 ] - [ 0.0000014700000000, 0.0000005900000000, -0.0001155800000000 ] - [ -0.0000292700000000, 0.0000006400000000, 0.0001127700000000 ] - [ 0.0000002800000000, 0.0000005700000000, 0.0001769300000000 ] - [ 0.0000004100000000, 0.0000007600000000, -0.0002365400000000 ] - [ 0.0000017600000000, 0.0000005800000000, 0.0000568400000000 ] - [ -0.0000007900000000, 0.0000006200000000, 0.0002544300000000 ] - [ 0.0000000800000000, 0.0000005800000000, 0.0000056600000000 ] - [ 0.0000003700000000, 0.0000008500000000, -0.0003847600000000 ] - [ -0.0000007100000000, 0.0000007600000000, -0.0001054100000000 ] - [ -0.0000007400000000, 0.0000007700000000, -0.0002556500000000 ] - [ 0.0000005100000000, 0.0000007100000000, -0.0001825600000000 ] - [ -0.0000001900000000, 0.0000008000000000, -0.0001814000000000 ] - [ 0.0000018100000000, 0.0000006100000000, 0.0000668600000000 ]- atom: 13 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0006135000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005680900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006352400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004855800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005713800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005609500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008354300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006665600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006211100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006290200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004522400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007125400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0612243000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006494300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004995600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004091100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005245400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005136200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008465100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006832600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000977000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003768900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0300179500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001897000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003838300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002022400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001031400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002534300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001915900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000295300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003072000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002993100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0303947600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001023600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002679500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000064700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005957200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001981100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000001600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004318900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004608400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004356200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002810000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005524200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001833700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005385200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001747600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003682000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001495000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000755100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004890400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001955900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000073600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002403600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006306700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003603200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005097000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004305400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004347600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001848800000000 ]- atom: 13 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0004901800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004346300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003769800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005142500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004336600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005390100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001752600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003296800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003860200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003714000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005534200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002871600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0612464800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003508700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005041500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005915700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004750700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004862000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001545500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003166500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003973600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001243800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0306067100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003106900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001106600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001799500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003984900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002485700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003112000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005244100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001880400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001937300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0301107500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004001800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002292800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004964300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001003700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002942500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001368400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000657500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000344100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000583300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002467000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000505000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003174800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000430400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003203800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001342400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003788300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004270500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000131400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003058500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005063400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002569900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001350400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001458700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000044100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000692800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000680400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003154900000000 ]- atom: 14 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000009500000000, 0.0000004300000000, 0.0000611200000000 ] - [ -0.0000014800000000, 0.0000003900000000, 0.0000660500000000 ] - [ 0.0000950200000000, 0.0000000800000000, 0.0001288500000000 ] - [ -0.0000010000000000, 0.0000004100000000, -0.0000143000000000 ] - [ 0.0000016300000000, -0.0000000600000000, 0.0000688500000000 ] - [ 0.0000344100000000, 0.0000001400000000, 0.0000115400000000 ] - [ 0.0000021400000000, -0.0000000800000000, 0.0003301000000000 ] - [ -0.0000006200000000, 0.0000004100000000, 0.0001685300000000 ] - [ 0.0000017400000000, -0.0000000800000000, 0.0001174000000000 ] - [ -0.0000014000000000, 0.0000003800000000, 0.0001288100000000 ] - [ 0.0000021600000000, -0.0000000600000000, -0.0000505200000000 ] - [ -0.0000009300000000, 0.0000004000000000, 0.0002127600000000 ] - [ 0.0000010700000000, -0.0000000900000000, 0.0000235000000000 ] - [ -0.0215204500000000, -0.0000220600000000, 0.0001482300000000 ] - [ 0.0000016300000000, -0.0000000800000000, -0.0000021400000000 ] - [ -0.0000004800000000, 0.0000003700000000, -0.0000911000000000 ] - [ -0.0000014700000000, 0.0000003800000000, 0.0000251500000000 ] - [ -0.0000008700000000, 0.0000004000000000, 0.0000134700000000 ] - [ 0.0000028300000000, -0.0000000400000000, 0.0003460500000000 ] - [ 0.0000029100000000, -0.0000000500000000, 0.0001839200000000 ] - [ -0.0000007800000000, 0.0000003600000000, 0.0001482400000000 ] - [ -0.0000004100000000, 0.0000004900000000, -0.0001240100000000 ] - [ -0.0000006100000000, 0.0000005400000000, -0.0001887200000000 ] - [ 0.0107352100000000, -0.0002038800000000, 0.0003099100000000 ] - [ -0.0000002100000000, 0.0000005900000000, -0.0001391200000000 ] - [ 0.0000212100000000, 0.0000004800000000, -0.0001915100000000 ] - [ 0.0000003100000000, 0.0000004900000000, 0.0001498300000000 ] - [ 0.0000012100000000, 0.0000003400000000, -0.0000011300000000 ] - [ 0.0000015200000000, 0.0000003400000000, 0.0000619800000000 ] - [ -0.0000001900000000, 0.0000003600000000, 0.0002744900000000 ] - [ -0.0000001100000000, 0.0000005800000000, -0.0000620500000000 ] - [ 0.0000009500000000, 0.0000005800000000, -0.0000550900000000 ] - [ 0.0000007500000000, 0.0000003300000000, 0.0000340600000000 ] - [ 0.0000003600000000, 0.0000003300000000, 0.0001507800000000 ] - [ 0.0000002200000000, 0.0000003800000000, -0.0000214100000000 ] - [ 0.0000005600000000, 0.0000003300000000, 0.0002470000000000 ] - [ 0.0000013200000000, 0.0000005700000000, -0.0003500700000000 ] - [ -0.0000010200000000, 0.0000003700000000, 0.0000458200000000 ] - [ 0.0000010700000000, 0.0000004700000000, -0.0000689600000000 ] - [ 0.0000002000000000, 0.0000003700000000, -0.0001849400000000 ] - [ 0.0000048800000000, 0.0000007100000000, -0.0002156700000000 ] - [ 0.0000003400000000, 0.0000006100000000, -0.0001903100000000 ] - [ -0.0000002800000000, 0.0000004800000000, -0.0000157800000000 ] - [ -0.0000009300000000, 0.0000004900000000, -0.0002997200000000 ] - [ 0.0000001600000000, 0.0000005000000000, 0.0000689300000000 ] - [ 0.0000001300000000, 0.0000006000000000, -0.0002926200000000 ] - [ 0.0000011300000000, 0.0000002800000000, 0.0000691300000000 ] - [ 0.0000016000000000, 0.0000003300000000, -0.0001154900000000 ] - [ -0.0000750200000000, 0.0000011400000000, 0.0001129900000000 ] - [ 0.0000001100000000, 0.0000003200000000, 0.0001770300000000 ] - [ -0.0000009600000000, 0.0000005100000000, -0.0002364400000000 ] - [ -0.0002743400000000, 0.0000001600000000, 0.0000567700000000 ] - [ 0.0000022400000000, 0.0000003600000000, 0.0002544600000000 ] - [ 0.0000013700000000, 0.0000003100000000, 0.0000056800000000 ] - [ 0.0000003600000000, 0.0000005900000000, -0.0003847400000000 ] - [ -0.0000003700000000, 0.0000005000000000, -0.0001053100000000 ] - [ 0.0000000900000000, 0.0000005000000000, -0.0002555600000000 ] - [ 0.0109617200000000, 0.0002050800000000, -0.0004304200000000 ] - [ -0.0000002800000000, 0.0000005400000000, -0.0001812800000000 ] - [ 0.0000006100000000, 0.0000003500000000, 0.0000669500000000 ]- atom: 14 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0005630600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005657900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006912300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004831800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005687600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005608200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008312700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006677500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006207600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006281500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004494400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007124200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005227400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0610789700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005021700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004080100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005254900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005134400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008479300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006857200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000993800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003771600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004349200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0304160800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003845300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004553900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001025500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002530500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001906200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000279800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003072200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003007700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002178900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001020900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002659300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000060100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005949900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002018100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003154400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004320100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004740700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004366400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002681600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005540900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001828100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005390700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001798000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003666100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001803100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000747200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004900400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000311400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000089500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002398300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006308900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003576400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005075000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0300289000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004334300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001854800000000 ]- atom: 14 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0004400800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004324500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004288900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005122300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004313400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005386700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001708300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003311400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003866200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003707100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005511200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002871400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004771900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0613640100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005067100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005908000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004766000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004864400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001568200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003191700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003979600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001257800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000606300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0300760100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001101400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000701200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003989700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002492200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003111900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005245000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001866700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001938100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002838200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004010600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002258900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004970900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001025000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002966200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001808000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000647200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000464300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000582800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002342500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000477200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003180400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000437600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003201200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001337700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000453400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004271300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000151000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000842300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005034100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002554700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001361100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001443700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000056300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0306073100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000678300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003172300000000 ]- atom: 15 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000007400000000, 0.0000005200000000, 0.0000612100000000 ] - [ 0.0000004200000000, 0.0000004800000000, 0.0000661500000000 ] - [ 0.0000018700000000, 0.0000000400000000, 0.0001289600000000 ] - [ 0.0000343300000000, 0.0000002200000000, -0.0000140100000000 ] - [ 0.0000016200000000, 0.0000000300000000, 0.0000689600000000 ] - [ -0.0000004300000000, 0.0000005200000000, 0.0000114500000000 ] - [ 0.0000007100000000, 0.0000000100000000, 0.0003302100000000 ] - [ -0.0000009300000000, 0.0000005000000000, 0.0001686600000000 ] - [ 0.0000011300000000, 0.0000000200000000, 0.0001175100000000 ] - [ 0.0000012500000000, 0.0000004700000000, 0.0001289400000000 ] - [ 0.0000011100000000, 0.0000000400000000, -0.0000504500000000 ] - [ 0.0000005700000000, 0.0000004900000000, 0.0002128800000000 ] - [ 0.0000021900000000, 0.0000000100000000, 0.0000235700000000 ] - [ 0.0000016700000000, -0.0000000200000000, 0.0001484500000000 ] - [ -0.0215202700000000, -0.0000273000000000, -0.0000082800000000 ] - [ 0.0000344300000000, 0.0000003600000000, -0.0000911700000000 ] - [ -0.0000008300000000, 0.0000004700000000, 0.0000252900000000 ] - [ -0.0000009200000000, 0.0000004900000000, 0.0000135700000000 ] - [ 0.0000018600000000, 0.0000000600000000, 0.0003461900000000 ] - [ 0.0000006200000000, 0.0000000500000000, 0.0001840400000000 ] - [ -0.0000025700000000, 0.0000004500000000, 0.0001483600000000 ] - [ 0.0000010100000000, 0.0000005900000000, -0.0001239000000000 ] - [ 0.0000010100000000, 0.0000006300000000, -0.0001885900000000 ] - [ 0.0000007100000000, 0.0000004200000000, 0.0000625000000000 ] - [ -0.0000001700000000, 0.0000006700000000, -0.0001390300000000 ] - [ -0.0000002400000000, 0.0000006000000000, -0.0001913800000000 ] - [ -0.0000000800000000, 0.0000005900000000, 0.0001499300000000 ] - [ -0.0000003300000000, 0.0000004300000000, -0.0000010200000000 ] - [ 0.0000005200000000, 0.0000004200000000, 0.0000620700000000 ] - [ -0.0000002200000000, 0.0000004400000000, 0.0002745800000000 ] - [ 0.0000004900000000, 0.0000006800000000, -0.0000619500000000 ] - [ -0.0000002700000000, 0.0000006700000000, -0.0000549700000000 ] - [ 0.0000005100000000, 0.0000004100000000, 0.0000341700000000 ] - [ 0.0000005600000000, 0.0000004200000000, 0.0001508700000000 ] - [ -0.0000744900000000, 0.0000011900000000, -0.0000211400000000 ] - [ -0.0000005600000000, 0.0000004200000000, 0.0002471000000000 ] - [ -0.0000004700000000, 0.0000006500000000, -0.0003499700000000 ] - [ 0.0000010800000000, 0.0000004500000000, 0.0000459300000000 ] - [ 0.0000024300000000, 0.0000005600000000, -0.0000688500000000 ] - [ -0.0000293800000000, 0.0000004100000000, -0.0001848600000000 ] - [ -0.0000007500000000, 0.0000007300000000, -0.0002155000000000 ] - [ 0.0000003300000000, 0.0000007000000000, -0.0001901800000000 ] - [ 0.0000004200000000, 0.0000005800000000, -0.0000156700000000 ] - [ 0.0000212200000000, 0.0000005500000000, -0.0002996500000000 ] - [ 0.0000003700000000, 0.0000005800000000, 0.0000690500000000 ] - [ 0.0000004300000000, 0.0000006800000000, -0.0002924900000000 ] - [ -0.0000000100000000, 0.0000003800000000, 0.0000692200000000 ] - [ 0.0107305100000000, -0.0002036600000000, 0.0001319300000000 ] - [ -0.0000009100000000, 0.0000005100000000, 0.0001129400000000 ] - [ 0.0000000000000000, 0.0000004000000000, 0.0001771200000000 ] - [ 0.0000013500000000, 0.0000005900000000, -0.0002363400000000 ] - [ -0.0000005400000000, 0.0000004200000000, 0.0000570300000000 ] - [ -0.0000010500000000, 0.0000004500000000, 0.0002545700000000 ] - [ 0.0000006000000000, 0.0000004000000000, 0.0000058000000000 ] - [ 0.0109736100000000, 0.0002053100000000, -0.0006320000000000 ] - [ -0.0000001900000000, 0.0000005800000000, -0.0001052200000000 ] - [ -0.0001882000000000, 0.0000006400000000, -0.0002559600000000 ] - [ 0.0000013800000000, 0.0000005400000000, -0.0001824300000000 ] - [ 0.0000013600000000, 0.0000006300000000, -0.0001812100000000 ] - [ 0.0000008200000000, 0.0000004500000000, 0.0000670300000000 ]- atom: 15 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0005633200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005659000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006346800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005346800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005691200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005100900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008287300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006672000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006199300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006285300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004502300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007122800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005236800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006530900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0611817300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004575800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005220700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005125000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008470900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006843700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001010300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003778500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004348200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001912700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003849700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004449000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001037500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002537400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001916800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000266900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003077900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003016700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002197700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001026300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000443800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000081500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005970100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002011200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003151500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004483700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004634300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004366300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002687100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005646500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001847500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005391100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001805900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0302436100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001355100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000764300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004895000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001988000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000064900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002423400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0298184100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003591100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002667100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004303900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004341900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001863800000000 ]- atom: 15 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0004397900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004320000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003754300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005629100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004317000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004870700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001682600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003300200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003850400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003704500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005517100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002863700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004778800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003537500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0611270300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006399000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004725100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004849600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001543300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003161300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004008600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001271300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000617400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003132600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001113400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000597600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004007000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002502900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003127900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005266900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001880600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001955200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002860400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004020900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000860300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004998300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000994600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002966500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001815800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000823800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000372400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000594600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002350100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000364000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003202700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000426700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003219100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0302574000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003650000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004290400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000146500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003096900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005066400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002589300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0308002000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001464300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002422600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000691600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000690200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003184500000000 ]- atom: 16 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000007200000000, 0.0000000900000000, 0.0000613000000000 ] - [ -0.0000016200000000, 0.0000000500000000, 0.0000662700000000 ] - [ -0.0000014000000000, -0.0000003800000000, 0.0001290500000000 ] - [ -0.0000010700000000, 0.0000000700000000, -0.0000141600000000 ] - [ -0.0000014400000000, -0.0000003900000000, 0.0000690500000000 ] - [ -0.0000000400000000, 0.0000001000000000, 0.0000115700000000 ] - [ 0.0000000200000000, -0.0000004200000000, 0.0003302600000000 ] - [ -0.0000017200000000, 0.0000000800000000, 0.0001686900000000 ] - [ -0.0000014400000000, -0.0000004300000000, 0.0001175600000000 ] - [ -0.0000006700000000, 0.0000000600000000, 0.0001289900000000 ] - [ 0.0000338600000000, -0.0000002900000000, -0.0000504400000000 ] - [ -0.0000003300000000, 0.0000000500000000, 0.0002129100000000 ] - [ -0.0000014300000000, -0.0000004200000000, 0.0000237300000000 ] - [ -0.0000011000000000, -0.0000004400000000, 0.0001485000000000 ] - [ 0.0000338300000000, -0.0000001400000000, -0.0000018300000000 ] - [ -0.0214333400000000, 0.0000001000000000, -0.0001021200000000 ] - [ -0.0000005100000000, 0.0000000400000000, 0.0000253600000000 ] - [ -0.0000011600000000, 0.0000000600000000, 0.0000137200000000 ] - [ 0.0000006500000000, -0.0000003700000000, 0.0003462500000000 ] - [ -0.0000015100000000, -0.0000004000000000, 0.0001841700000000 ] - [ -0.0000006500000000, 0.0000000200000000, 0.0001483700000000 ] - [ -0.0000012000000000, 0.0000001600000000, -0.0001237600000000 ] - [ 0.0000005300000000, 0.0000002000000000, -0.0001885800000000 ] - [ -0.0000013900000000, -0.0000000100000000, 0.0000626300000000 ] - [ -0.0000011700000000, 0.0000002400000000, -0.0001389600000000 ] - [ -0.0000012300000000, 0.0000001700000000, -0.0001912800000000 ] - [ -0.0000022800000000, 0.0000001500000000, 0.0001500800000000 ] - [ -0.0001897600000000, -0.0000000400000000, -0.0000014600000000 ] - [ 0.0000002400000000, 0.0000000000000000, 0.0000622100000000 ] - [ -0.0000012800000000, 0.0000000200000000, 0.0002746300000000 ] - [ -0.0000019600000000, 0.0000002500000000, -0.0000619200000000 ] - [ -0.0000028300000000, 0.0000002300000000, -0.0000549300000000 ] - [ -0.0000006800000000, -0.0000000100000000, 0.0000342900000000 ] - [ -0.0000012200000000, -0.0000000100000000, 0.0001510200000000 ] - [ -0.0000015300000000, 0.0000000400000000, -0.0000212600000000 ] - [ -0.0000001300000000, -0.0000000100000000, 0.0002472400000000 ] - [ -0.0000007100000000, 0.0000002300000000, -0.0003499000000000 ] - [ -0.0000013300000000, 0.0000000200000000, 0.0000460000000000 ] - [ -0.0000010100000000, 0.0000001300000000, -0.0000688400000000 ] - [ 0.0109713800000000, -0.0002045900000000, -0.0004321900000000 ] - [ -0.0000024000000000, 0.0000003100000000, -0.0002154600000000 ] - [ -0.0000043400000000, 0.0000002800000000, -0.0001902000000000 ] - [ -0.0000010700000000, 0.0000001500000000, -0.0000155500000000 ] - [ -0.0000009000000000, 0.0000001400000000, -0.0002994800000000 ] - [ -0.0000017300000000, 0.0000001600000000, 0.0000691400000000 ] - [ -0.0000312100000000, 0.0000003200000000, -0.0002925500000000 ] - [ -0.0000008200000000, -0.0000000500000000, 0.0000692900000000 ] - [ 0.0000201300000000, 0.0000000200000000, -0.0001152500000000 ] - [ 0.0000000000000000, 0.0000000900000000, 0.0001129600000000 ] - [ 0.0000002100000000, -0.0000000200000000, 0.0001772300000000 ] - [ -0.0000020700000000, 0.0000001600000000, -0.0002362200000000 ] - [ -0.0000007100000000, -0.0000000100000000, 0.0000571700000000 ] - [ -0.0000006200000000, 0.0000000200000000, 0.0002546300000000 ] - [ -0.0000018500000000, -0.0000000200000000, 0.0000058200000000 ] - [ -0.0000764000000000, -0.0000004900000000, -0.0003844000000000 ] - [ -0.0000011800000000, 0.0000001600000000, -0.0001050800000000 ] - [ 0.0107292300000000, 0.0002042600000000, -0.0000080000000000 ] - [ -0.0000027700000000, 0.0000001200000000, -0.0001823900000000 ] - [ -0.0000022700000000, 0.0000002000000000, -0.0001810800000000 ] - [ -0.0000013100000000, 0.0000000100000000, 0.0000672200000000 ]- atom: 16 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0005652000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005660300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006301200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004869400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005672700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005141600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008307000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006704100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006173000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006315000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004990800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007127500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005234700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006487900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005478400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0613181100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005290600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005168800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008466900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006834300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000968900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003771300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004335200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001899700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003859000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004448400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001049700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000101700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001904300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000299800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003084900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003015300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002182300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001020000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002671200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000061100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005958100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001992600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003135700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0300165700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004625900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004379400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002689000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005524300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001836900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005558600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001788600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003794100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001322100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000751500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004885900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001964500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000101200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002405200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003177100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003581700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0301030400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004323500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004363800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001860700000000 ]- atom: 16 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0004427700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004321900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003710600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005154000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004295400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004912100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001704200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003337200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003823700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003735500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006011100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002870800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004773200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003502100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005522500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0611054900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004802500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004888200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001546800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003161900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003963800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001257200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000602900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003115400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001124400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000592200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004013400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000112100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003109900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005234100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001888400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001952500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002841100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004008600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002277200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004971200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001006800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002949700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001794500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0306011300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000361100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000602900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002350400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000494600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003188400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000261000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003202300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001467000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003614800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004275100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000135500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003071200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005030600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002569300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004508700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001447700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0303989800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000710300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000706400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003176800000000 ]- atom: 17 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000008700000000, 0.0000001000000000, 0.0000612400000000 ] - [ -0.0000003900000000, 0.0000000500000000, 0.0000662100000000 ] - [ 0.0000337200000000, -0.0000000900000000, 0.0001291700000000 ] - [ -0.0000006200000000, 0.0000000800000000, -0.0000140800000000 ] - [ 0.0000338300000000, -0.0000003000000000, 0.0000689500000000 ] - [ -0.0000007600000000, 0.0000000900000000, 0.0000115000000000 ] - [ -0.0000001600000000, -0.0000004200000000, 0.0003303100000000 ] - [ -0.0000005400000000, 0.0000000700000000, 0.0001687600000000 ] - [ 0.0000007500000000, -0.0000004100000000, 0.0001176300000000 ] - [ -0.0000011900000000, 0.0000000500000000, 0.0001290900000000 ] - [ -0.0000014900000000, -0.0000003800000000, -0.0000503400000000 ] - [ -0.0000016100000000, 0.0000000600000000, 0.0002129800000000 ] - [ -0.0000020000000000, -0.0000004200000000, 0.0000236500000000 ] - [ -0.0000020600000000, -0.0000004600000000, 0.0001484800000000 ] - [ -0.0000014700000000, -0.0000004200000000, -0.0000019600000000 ] - [ -0.0000005400000000, 0.0000000300000000, -0.0000909300000000 ] - [ -0.0214400700000000, 0.0000001000000000, 0.0000124100000000 ] - [ -0.0000007200000000, 0.0000000600000000, 0.0000136500000000 ] - [ -0.0000015500000000, -0.0000003800000000, 0.0003462900000000 ] - [ 0.0000006100000000, -0.0000003800000000, 0.0001841000000000 ] - [ -0.0000013000000000, 0.0000000200000000, 0.0001484100000000 ] - [ -0.0000021000000000, 0.0000001600000000, -0.0001238100000000 ] - [ -0.0000006000000000, 0.0000001900000000, -0.0001885200000000 ] - [ -0.0000008200000000, -0.0000000100000000, 0.0000626100000000 ] - [ -0.0000312300000000, 0.0000003000000000, -0.0001390300000000 ] - [ -0.0000016200000000, 0.0000001800000000, -0.0001912700000000 ] - [ -0.0000017700000000, 0.0000001600000000, 0.0001499900000000 ] - [ 0.0000002200000000, 0.0000000100000000, -0.0000009300000000 ] - [ -0.0001898000000000, -0.0000000500000000, 0.0000616200000000 ] - [ -0.0000007100000000, 0.0000000100000000, 0.0002746400000000 ] - [ -0.0000043900000000, 0.0000002500000000, -0.0000619000000000 ] - [ -0.0000017900000000, 0.0000002400000000, -0.0000549400000000 ] - [ -0.0000008700000000, -0.0000000100000000, 0.0000342800000000 ] - [ -0.0000008100000000, -0.0000000100000000, 0.0001509500000000 ] - [ -0.0000008300000000, 0.0000000400000000, -0.0000212400000000 ] - [ 0.0000001700000000, -0.0000000200000000, 0.0002471700000000 ] - [ -0.0000026900000000, 0.0000002300000000, -0.0003499100000000 ] - [ -0.0000019100000000, 0.0000000300000000, 0.0000459900000000 ] - [ -0.0000006100000000, 0.0000001300000000, -0.0000687700000000 ] - [ -0.0000018600000000, 0.0000000400000000, -0.0001847800000000 ] - [ -0.0000751900000000, -0.0000004300000000, -0.0002152700000000 ] - [ -0.0000019900000000, 0.0000002800000000, -0.0001901500000000 ] - [ -0.0000015500000000, 0.0000001500000000, -0.0000155600000000 ] - [ -0.0000017100000000, 0.0000001500000000, -0.0002995300000000 ] - [ -0.0000023300000000, 0.0000001500000000, 0.0000691500000000 ] - [ -0.0000012200000000, 0.0000002500000000, -0.0002924300000000 ] - [ -0.0000006900000000, -0.0000000600000000, 0.0000693200000000 ] - [ -0.0000007200000000, -0.0000000100000000, -0.0001153000000000 ] - [ 0.0000002800000000, 0.0000000900000000, 0.0001130200000000 ] - [ -0.0000001700000000, -0.0000000200000000, 0.0001772300000000 ] - [ -0.0000012400000000, 0.0000001600000000, -0.0002362400000000 ] - [ 0.0000195800000000, 0.0000000100000000, 0.0000571400000000 ] - [ -0.0000008200000000, 0.0000000200000000, 0.0002546400000000 ] - [ 0.0109738600000000, -0.0002046800000000, -0.0002415700000000 ] - [ -0.0000024800000000, 0.0000002500000000, -0.0003845500000000 ] - [ -0.0000010600000000, 0.0000001700000000, -0.0001051400000000 ] - [ -0.0000023200000000, 0.0000001600000000, -0.0002553600000000 ] - [ 0.0000009500000000, 0.0000001200000000, -0.0001804500000000 ] - [ 0.0107305200000000, 0.0002043300000000, 0.0000662400000000 ] - [ -0.0000010000000000, 0.0000000100000000, 0.0000671300000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0005666700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005663600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006812700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004870700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006188200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005130000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008305200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006705700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006182500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006324000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004476500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007123100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005230700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006506700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004962400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004130800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0612117900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005163100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008457400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006842200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000974700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003764400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004337300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001899000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004019300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004442500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001034400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002522900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000520900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000297400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003093700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003008900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002183200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001022800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002666800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000055400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005970400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002009200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003146000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004325000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001475500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004378700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002678300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005522000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001846500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005405800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001789300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003679500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001322400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000750500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004885900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002085700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000095400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0302101900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006330400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003576000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005098400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004262700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0301782500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001859000000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0004436300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004328300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004223100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005148600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004815500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004906500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001699500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003338400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003831400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003736800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005488700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002865400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004763600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003522000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005002500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005957500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0612289200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004885400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001536200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003168900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003951900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001262500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000589700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003121600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001280700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000596100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004005800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002498900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000726500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005224500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001888000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001935700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002851300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004020500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002261400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004971700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001007300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002955200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001800400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000644400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002830100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000589500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002342100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000486200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003219700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000429900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003178200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001362500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003606200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004287100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000151300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003198100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005027500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0304121900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001346700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001450900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000020600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000679700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0303257800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003186200000000 ]- atom: 18 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000004000000000, 0.0000001100000000, 0.0000611400000000 ] - [ -0.0000011600000000, 0.0000000500000000, 0.0000660700000000 ] - [ 0.0000008800000000, -0.0000003800000000, 0.0001288500000000 ] - [ -0.0000015500000000, 0.0000000800000000, -0.0000143700000000 ] - [ -0.0000013900000000, -0.0000004000000000, 0.0000688300000000 ] - [ 0.0000009200000000, 0.0000000800000000, 0.0000113700000000 ] - [ 0.0000007500000000, -0.0000004200000000, 0.0003300500000000 ] - [ -0.0000003000000000, 0.0000000700000000, 0.0001684800000000 ] - [ 0.0000001300000000, -0.0000004200000000, 0.0001173500000000 ] - [ -0.0000003900000000, 0.0000000400000000, 0.0001287800000000 ] - [ 0.0000338700000000, -0.0000001000000000, -0.0000504400000000 ] - [ -0.0000006200000000, 0.0000000700000000, 0.0002127000000000 ] - [ -0.0000018500000000, -0.0000004200000000, 0.0000235200000000 ] - [ -0.0000013400000000, -0.0000004500000000, 0.0001483100000000 ] - [ -0.0000013800000000, -0.0000004300000000, -0.0000022100000000 ] - [ -0.0000010700000000, 0.0000000300000000, -0.0000911800000000 ] - [ -0.0000005800000000, 0.0000000500000000, 0.0000251800000000 ] - [ -0.0214426500000000, 0.0000002100000000, 0.0000152300000000 ] - [ -0.0000013500000000, -0.0000003800000000, 0.0003460500000000 ] - [ 0.0000339200000000, -0.0000003000000000, 0.0001838100000000 ] - [ 0.0109719200000000, -0.0002046100000000, -0.0000992700000000 ] - [ -0.0000021700000000, 0.0000001500000000, -0.0001239500000000 ] - [ -0.0000018300000000, 0.0000002000000000, -0.0001888200000000 ] - [ -0.0000006400000000, 0.0000000000000000, 0.0000624200000000 ] - [ -0.0000023300000000, 0.0000002400000000, -0.0001392200000000 ] - [ -0.0000009700000000, 0.0000001600000000, -0.0001914800000000 ] - [ -0.0000011200000000, 0.0000001600000000, 0.0001498800000000 ] - [ 0.0000202200000000, 0.0000000300000000, -0.0000010700000000 ] - [ -0.0000006300000000, 0.0000000000000000, 0.0000620200000000 ] - [ -0.0000017900000000, 0.0000000200000000, 0.0002743800000000 ] - [ -0.0000010900000000, 0.0000002400000000, -0.0000621500000000 ] - [ -0.0000019000000000, 0.0000002400000000, -0.0000552000000000 ] - [ -0.0000013400000000, -0.0000000100000000, 0.0000340800000000 ] - [ -0.0000000600000000, -0.0000000100000000, 0.0001508300000000 ] - [ -0.0000012400000000, 0.0000000400000000, -0.0000214900000000 ] - [ 0.0000003200000000, -0.0000000100000000, 0.0002470400000000 ] - [ -0.0000027600000000, 0.0000002300000000, -0.0003501600000000 ] - [ -0.0000005100000000, 0.0000000200000000, 0.0000457400000000 ] - [ -0.0000010200000000, 0.0000001200000000, -0.0000690900000000 ] - [ -0.0000014200000000, 0.0000000300000000, -0.0001850400000000 ] - [ -0.0000025400000000, 0.0000003000000000, -0.0002157300000000 ] - [ -0.0000310900000000, 0.0000003400000000, -0.0001904900000000 ] - [ -0.0000000200000000, 0.0000001500000000, -0.0000157400000000 ] - [ -0.0000010900000000, 0.0000001400000000, -0.0002996700000000 ] - [ -0.0000020000000000, 0.0000001600000000, 0.0000689600000000 ] - [ -0.0000763000000000, -0.0000004900000000, -0.0002925100000000 ] - [ -0.0000006200000000, -0.0000000500000000, 0.0000690300000000 ] - [ -0.0000012000000000, 0.0000000000000000, -0.0001154300000000 ] - [ -0.0000009900000000, 0.0000000900000000, 0.0001127000000000 ] - [ -0.0001894100000000, -0.0000000700000000, 0.0001765200000000 ] - [ 0.0107298900000000, 0.0002042700000000, 0.0000109600000000 ] - [ -0.0000008800000000, -0.0000000100000000, 0.0000569600000000 ] - [ -0.0000012000000000, 0.0000000200000000, 0.0002543600000000 ] - [ -0.0000007200000000, -0.0000000300000000, 0.0000055800000000 ] - [ -0.0000006500000000, 0.0000002500000000, -0.0003848100000000 ] - [ -0.0000022300000000, 0.0000001500000000, -0.0001052600000000 ] - [ -0.0000008500000000, 0.0000001500000000, -0.0002554900000000 ] - [ 0.0000005900000000, 0.0000001100000000, -0.0001826400000000 ] - [ -0.0000016100000000, 0.0000002000000000, -0.0001812800000000 ] - [ -0.0000011400000000, 0.0000000000000000, 0.0000670200000000 ]- atom: 18 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0005675100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005683000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006314900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004850900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005661200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005103900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008297700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006684600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006169800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006312000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004981500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007141700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005220200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006482400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004965300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004107500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005262500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0611609300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008433500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007323100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0303498600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003799500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004358500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001907500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003876200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004455600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001038400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002655900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001922500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000265800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003103500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003030300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002198100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001029200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002679900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000058300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005983200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002000200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003152300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004320600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004627200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004544900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002687100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005531800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001835100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002267900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001802100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003691000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001332400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001668100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0301217100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001973500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000085200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002395400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006316700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003605100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005088400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004313100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004351400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001863300000000 ]- atom: 18 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0004437500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004354200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003730900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005151800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004291500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004889600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001703900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003316800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003828800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003743100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006005100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002897300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004767700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003502100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005016200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005936700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004774700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0611954600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001521200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003662700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0302684500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001285500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000614400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003118700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001129300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000597200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004001600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002619500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003125400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005256100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001895100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001957400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002853600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004017800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002275900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004968200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000996300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002944300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001802300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000643100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000354800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000760000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002345800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000488300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003185500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003587300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003203700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001361500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003614500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001899500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0303787300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003075400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005033900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002551000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001357100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001470700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000045400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000691500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000691200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003179000000000 ]- atom: 19 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000003700000000, 0.0000004300000000, 0.0000611100000000 ] - [ -0.0000009200000000, 0.0000003900000000, 0.0000660700000000 ] - [ 0.0000006300000000, -0.0000000400000000, 0.0001288600000000 ] - [ 0.0000004100000000, 0.0000004200000000, -0.0000143000000000 ] - [ 0.0000011600000000, -0.0000000600000000, 0.0000688700000000 ] - [ -0.0000007500000000, 0.0000004300000000, 0.0000113600000000 ] - [ 0.0000011800000000, -0.0000000800000000, 0.0003301100000000 ] - [ -0.0000009900000000, 0.0000004200000000, 0.0001685300000000 ] - [ 0.0000006500000000, -0.0000000800000000, 0.0001174000000000 ] - [ 0.0000343800000000, 0.0000001000000000, 0.0001290100000000 ] - [ 0.0000016500000000, -0.0000000500000000, -0.0000505300000000 ] - [ 0.0000343700000000, 0.0000003100000000, 0.0002126000000000 ] - [ 0.0000022000000000, -0.0000000900000000, 0.0000235100000000 ] - [ 0.0000028800000000, -0.0000001100000000, 0.0001483400000000 ] - [ 0.0000018600000000, -0.0000000800000000, -0.0000021300000000 ] - [ 0.0000013200000000, 0.0000003700000000, -0.0000911000000000 ] - [ -0.0000009200000000, 0.0000003900000000, 0.0000251900000000 ] - [ -0.0000009100000000, 0.0000003900000000, 0.0000134700000000 ] - [ -0.0215223400000000, -0.0000220600000000, 0.0003459100000000 ] - [ 0.0000016600000000, -0.0000000400000000, 0.0001839400000000 ] - [ -0.0000006800000000, 0.0000003700000000, 0.0001482500000000 ] - [ 0.0000212400000000, 0.0000004700000000, -0.0001240200000000 ] - [ 0.0000001500000000, 0.0000005500000000, -0.0001887000000000 ] - [ 0.0000001700000000, 0.0000003400000000, 0.0000623900000000 ] - [ -0.0000004800000000, 0.0000005900000000, -0.0001391300000000 ] - [ -0.0000008800000000, 0.0000005100000000, -0.0001915000000000 ] - [ -0.0001883800000000, 0.0000005500000000, 0.0001493100000000 ] - [ 0.0000000400000000, 0.0000003500000000, -0.0000011200000000 ] - [ 0.0000007900000000, 0.0000003400000000, 0.0000619600000000 ] - [ -0.0000747700000000, 0.0000010800000000, 0.0002746600000000 ] - [ 0.0109760200000000, 0.0002052600000000, -0.0003094800000000 ] - [ 0.0000003800000000, 0.0000005800000000, -0.0000550700000000 ] - [ 0.0000013000000000, 0.0000003300000000, 0.0000340700000000 ] - [ -0.0000003900000000, 0.0000003300000000, 0.0001507900000000 ] - [ -0.0000000200000000, 0.0000003900000000, -0.0000214300000000 ] - [ 0.0107371500000000, -0.0002038600000000, 0.0004944200000000 ] - [ 0.0000002800000000, 0.0000005700000000, -0.0003500600000000 ] - [ -0.0000026000000000, 0.0000003700000000, 0.0000458400000000 ] - [ 0.0000003100000000, 0.0000004700000000, -0.0000689400000000 ] - [ -0.0000008700000000, 0.0000003700000000, -0.0001849600000000 ] - [ -0.0000002700000000, 0.0000006600000000, -0.0002156000000000 ] - [ -0.0000007800000000, 0.0000006100000000, -0.0001903200000000 ] - [ 0.0000001700000000, 0.0000004900000000, -0.0000157800000000 ] - [ 0.0000003400000000, 0.0000004900000000, -0.0002997300000000 ] - [ 0.0000013400000000, 0.0000005000000000, 0.0000689500000000 ] - [ 0.0000002400000000, 0.0000006000000000, -0.0002926100000000 ] - [ 0.0000005100000000, 0.0000002900000000, 0.0000691400000000 ] - [ 0.0000007100000000, 0.0000003300000000, -0.0001155000000000 ] - [ -0.0000007000000000, 0.0000004300000000, 0.0001128300000000 ] - [ -0.0000005600000000, 0.0000003300000000, 0.0001770400000000 ] - [ 0.0000004000000000, 0.0000005000000000, -0.0002364300000000 ] - [ 0.0000005100000000, 0.0000003300000000, 0.0000569100000000 ] - [ -0.0000294600000000, 0.0000003200000000, 0.0002544400000000 ] - [ 0.0000010600000000, 0.0000003100000000, 0.0000056800000000 ] - [ -0.0000008600000000, 0.0000005800000000, -0.0003847200000000 ] - [ 0.0000012800000000, 0.0000005100000000, -0.0001053200000000 ] - [ 0.0000001200000000, 0.0000005000000000, -0.0002555600000000 ] - [ 0.0000003300000000, 0.0000004600000000, -0.0001825400000000 ] - [ -0.0000002200000000, 0.0000005300000000, -0.0001813200000000 ] - [ -0.0000000600000000, 0.0000003500000000, 0.0000669300000000 ]- atom: 19 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0005637900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005649100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006324900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004859300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005691200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005114700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008316600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006681600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006178500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006787200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004495200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007624800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005234800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006517300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004997000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004093100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005241000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005118700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0608762100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006889200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001005700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003881800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004345900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001895400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003849800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004453600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001399800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002528800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001905700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003426500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0301423400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003004400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002181600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001011300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002678400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0306081100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005956600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002020700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003156400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004321700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004608700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004382900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002677300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005525600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001818200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005383800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001821800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003671800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001342800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000768000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004886900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001957400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000087900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002401500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006321100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003574900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005081100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004312700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004341600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001857100000000 ]- atom: 19 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0004405100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004312500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003737600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005149700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004320800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004894100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001710800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003315300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003837500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004215500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005513500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003377500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004779400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003533100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005041000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005921000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004754000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004848000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0615540700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003224600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003990000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001373800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000604500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003112900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001101000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000602000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001620000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002494200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003116800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002075900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0304804300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001936000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002843900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004002400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002276900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0298990300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001017600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002968400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001805500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000647800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000333400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000596800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002345300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000491000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003174500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000445300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003227400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001345600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003626500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004297800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000140900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003069100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005208100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002558500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001349600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001444000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000047300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000692900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000686300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003176400000000 ]- atom: 20 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000008900000000, 0.0000004400000000, 0.0000610900000000 ] - [ 0.0000344100000000, 0.0000003000000000, 0.0000658800000000 ] - [ 0.0000018200000000, -0.0000000400000000, 0.0001288800000000 ] - [ 0.0000005400000000, 0.0000004200000000, -0.0000142800000000 ] - [ 0.0000016500000000, -0.0000000600000000, 0.0000688700000000 ] - [ -0.0000012900000000, 0.0000004300000000, 0.0000113700000000 ] - [ 0.0000016400000000, -0.0000000800000000, 0.0003300900000000 ] - [ 0.0000011700000000, 0.0000004000000000, 0.0001685300000000 ] - [ 0.0000018800000000, -0.0000000900000000, 0.0001174000000000 ] - [ -0.0000009200000000, 0.0000003900000000, 0.0001288000000000 ] - [ 0.0000011600000000, -0.0000000600000000, -0.0000505300000000 ] - [ -0.0000009000000000, 0.0000004000000000, 0.0002127700000000 ] - [ 0.0000014900000000, -0.0000000900000000, 0.0000234900000000 ] - [ 0.0000029400000000, -0.0000001000000000, 0.0001483000000000 ] - [ 0.0000006100000000, -0.0000000800000000, -0.0000021100000000 ] - [ -0.0000009200000000, 0.0000003700000000, -0.0000910900000000 ] - [ 0.0000013000000000, 0.0000003800000000, 0.0000251700000000 ] - [ 0.0000343600000000, 0.0000001000000000, 0.0000136500000000 ] - [ 0.0000016500000000, -0.0000000400000000, 0.0003460700000000 ] - [ -0.0215257000000000, -0.0000220000000000, 0.0001838600000000 ] - [ -0.0000747600000000, 0.0000010800000000, 0.0001483400000000 ] - [ 0.0000003900000000, 0.0000005000000000, -0.0001239200000000 ] - [ -0.0000002000000000, 0.0000005500000000, -0.0001887600000000 ] - [ 0.0000006200000000, 0.0000003400000000, 0.0000624700000000 ] - [ 0.0000002500000000, 0.0000005800000000, -0.0001391800000000 ] - [ -0.0000003500000000, 0.0000005000000000, -0.0001914400000000 ] - [ 0.0000013300000000, 0.0000005000000000, 0.0001499100000000 ] - [ 0.0000008000000000, 0.0000003500000000, -0.0000010600000000 ] - [ 0.0000000100000000, 0.0000003400000000, 0.0000620600000000 ] - [ -0.0000007100000000, 0.0000003600000000, 0.0002744200000000 ] - [ -0.0000008100000000, 0.0000005800000000, -0.0000621300000000 ] - [ -0.0000002300000000, 0.0000005800000000, -0.0000551700000000 ] - [ 0.0000016000000000, 0.0000003300000000, 0.0000341500000000 ] - [ 0.0000004700000000, 0.0000003300000000, 0.0001508500000000 ] - [ -0.0000010900000000, 0.0000003800000000, -0.0000215100000000 ] - [ -0.0000005800000000, 0.0000003300000000, 0.0002470800000000 ] - [ 0.0000004200000000, 0.0000005800000000, -0.0003501600000000 ] - [ -0.0000002300000000, 0.0000003700000000, 0.0000457300000000 ] - [ 0.0000016600000000, 0.0000004700000000, -0.0000690400000000 ] - [ 0.0000010900000000, 0.0000003700000000, -0.0001850400000000 ] - [ -0.0000008200000000, 0.0000006400000000, -0.0002156700000000 ] - [ 0.0109781900000000, 0.0002053100000000, -0.0004378500000000 ] - [ -0.0000017500000000, 0.0000004900000000, -0.0000156500000000 ] - [ -0.0000001200000000, 0.0000004900000000, -0.0002996500000000 ] - [ -0.0001894000000000, 0.0000005500000000, 0.0000684900000000 ] - [ -0.0000005000000000, 0.0000005900000000, -0.0002927200000000 ] - [ -0.0000289000000000, 0.0000002400000000, 0.0000690300000000 ] - [ 0.0000005400000000, 0.0000003400000000, -0.0001154200000000 ] - [ -0.0000000900000000, 0.0000004300000000, 0.0001127500000000 ] - [ 0.0107358700000000, -0.0002038600000000, 0.0004245200000000 ] - [ 0.0000212100000000, 0.0000004700000000, -0.0002363700000000 ] - [ 0.0000006800000000, 0.0000003200000000, 0.0000570100000000 ] - [ 0.0000005400000000, 0.0000003600000000, 0.0002544000000000 ] - [ -0.0000009200000000, 0.0000003200000000, 0.0000056100000000 ] - [ -0.0000003100000000, 0.0000005800000000, -0.0003848100000000 ] - [ 0.0000009400000000, 0.0000005000000000, -0.0001052300000000 ] - [ -0.0000002400000000, 0.0000004900000000, -0.0002554700000000 ] - [ -0.0000001300000000, 0.0000004500000000, -0.0001825800000000 ] - [ 0.0000001200000000, 0.0000005300000000, -0.0001812500000000 ] - [ -0.0000006100000000, 0.0000003500000000, 0.0000670400000000 ]- atom: 20 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0005655900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006164800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006329700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004860100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005691000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005109600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008312000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006689900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006180700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006269200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004493700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007109700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005230000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006516600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004994400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004082200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005250600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005635300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008513100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0610388900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002156000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003771000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004341200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001904300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003839800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004444800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001021500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002530600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001909000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000266100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003092300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003004800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002181400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001016500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002687100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000077200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005953500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002015500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003151100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004315900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004620000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0300155700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002689900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005521300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000588200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005390000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001966800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003676400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001338500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0305379600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005002600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001956000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000067900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002404800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006308500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003579400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005080700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004304800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004346300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001869700000000 ]- atom: 20 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0004422800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004834000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003736300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005150600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004316800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004888800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001710900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003324200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003839100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003696500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005517100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002857600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004770400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003535600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005037700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005910600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004763200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005365300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001598900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0613925100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000804400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001261400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000600300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003119600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001094800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000592200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003989800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002494800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003118500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005259100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001885200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001933400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002842600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004008500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002284900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004991400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001021300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002962800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001801700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000642200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000345500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0306111100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002356200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000495000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000812900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000440600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003372800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001349800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003621900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0299673600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000256900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003066100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005056000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002561700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001362100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001449300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000048300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000686200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000690600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003189400000000 ]- atom: 21 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000001700000000, 0.0000001500000000, 0.0000613500000000 ] - [ 0.0000005700000000, 0.0000001100000000, 0.0000662900000000 ] - [ 0.0000002100000000, -0.0000003300000000, 0.0001291100000000 ] - [ -0.0000002800000000, 0.0000001300000000, -0.0000140500000000 ] - [ 0.0000009500000000, -0.0000003400000000, 0.0000691000000000 ] - [ 0.0000003300000000, 0.0000001500000000, 0.0000115900000000 ] - [ 0.0000000600000000, -0.0000003600000000, 0.0003303400000000 ] - [ -0.0000006800000000, 0.0000001300000000, 0.0001687800000000 ] - [ 0.0000007700000000, -0.0000003600000000, 0.0001176700000000 ] - [ -0.0000002600000000, 0.0000001000000000, 0.0001290600000000 ] - [ -0.0000285800000000, -0.0000000800000000, -0.0000501900000000 ] - [ 0.0000000800000000, 0.0000001200000000, 0.0002130100000000 ] - [ 0.0000008000000000, -0.0000003600000000, 0.0000237400000000 ] - [ -0.0000001900000000, -0.0000003900000000, 0.0001485800000000 ] - [ -0.0000007000000000, -0.0000003700000000, -0.0000019100000000 ] - [ -0.0000003800000000, 0.0000000900000000, -0.0000908500000000 ] - [ -0.0000004200000000, 0.0000001000000000, 0.0000254100000000 ] - [ 0.0109718300000000, 0.0002039500000000, 0.0002545700000000 ] - [ 0.0000001000000000, -0.0000003200000000, 0.0003463200000000 ] - [ -0.0000742700000000, 0.0000012500000000, 0.0001811800000000 ] - [ -0.0127729600000000, -0.0001486500000000, -0.0001022600000000 ] - [ 0.0000001000000000, 0.0000002100000000, -0.0001240600000000 ] - [ -0.0000011700000000, 0.0000002500000000, -0.0001887600000000 ] - [ 0.0000002100000000, 0.0000000500000000, 0.0000623300000000 ] - [ -0.0000003500000000, 0.0000003000000000, -0.0001391800000000 ] - [ -0.0000000500000000, 0.0000002300000000, -0.0001915500000000 ] - [ -0.0000002800000000, 0.0000002200000000, 0.0001497700000000 ] - [ 0.0000005200000000, 0.0000001600000000, -0.0000012100000000 ] - [ 0.0000001700000000, 0.0000000600000000, 0.0000619100000000 ] - [ 0.0000010300000000, 0.0000000700000000, 0.0002744300000000 ] - [ -0.0000002500000000, 0.0000003000000000, -0.0000621100000000 ] - [ -0.0000002800000000, 0.0000003000000000, -0.0000551500000000 ] - [ 0.0000004300000000, 0.0000000400000000, 0.0000340200000000 ] - [ -0.0000001400000000, 0.0000000500000000, 0.0001507100000000 ] - [ 0.0000015000000000, 0.0000001000000000, -0.0000214700000000 ] - [ 0.0000004500000000, 0.0000000400000000, 0.0002469300000000 ] - [ -0.0000004000000000, 0.0000002800000000, -0.0003501300000000 ] - [ 0.0000009300000000, 0.0000000900000000, 0.0000457700000000 ] - [ -0.0000000500000000, 0.0000001900000000, -0.0000690200000000 ] - [ 0.0000012600000000, 0.0000001000000000, -0.0001850100000000 ] - [ -0.0000004300000000, 0.0000003700000000, -0.0002156600000000 ] - [ 0.0000902400000000, 0.0000005700000000, -0.0001911600000000 ] - [ -0.0000005500000000, 0.0000002100000000, -0.0000158400000000 ] - [ 0.0000000000000000, 0.0000002000000000, -0.0002998000000000 ] - [ -0.0000022700000000, 0.0000002300000000, 0.0000689600000000 ] - [ 0.0000900800000000, -0.0000003100000000, -0.0002923700000000 ] - [ 0.0000012000000000, 0.0000000100000000, 0.0000690700000000 ] - [ 0.0000003800000000, 0.0000000500000000, -0.0001155600000000 ] - [ 0.0000007200000000, 0.0000001400000000, 0.0001127800000000 ] - [ 0.0008973900000000, -0.0000087100000000, 0.0001636500000000 ] - [ 0.0008221500000000, -0.0000519200000000, -0.0002131400000000 ] - [ 0.0000002500000000, 0.0000000400000000, 0.0000568600000000 ] - [ 0.0000008800000000, 0.0000000800000000, 0.0002544100000000 ] - [ 0.0000007500000000, 0.0000000300000000, 0.0000056200000000 ] - [ -0.0000000100000000, 0.0000003100000000, -0.0003847900000000 ] - [ 0.0000000700000000, 0.0000002200000000, -0.0001053900000000 ] - [ -0.0000005400000000, 0.0000002200000000, -0.0002556200000000 ] - [ -0.0000004800000000, 0.0000001700000000, -0.0001826000000000 ] - [ -0.0000005500000000, 0.0000002600000000, -0.0001813700000000 ] - [ 0.0000002700000000, 0.0000000700000000, 0.0000668800000000 ]- atom: 21 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0001863700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001804300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001195400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002618500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001792300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002361000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000817500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000797800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001301000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001188100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003156400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000348000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002250800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000985000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002503200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003387600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002229600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0304368600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000980000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002466200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0423830300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000004200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000647300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001850500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000152300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000679500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002730200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001173500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001850800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003989700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000618500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000687900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001577400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002739900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001031200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003708700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002265500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001708300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000553900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000603600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000912100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000285100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001070200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001762400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001917600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001302600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001946300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000085400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002371700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0018567400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0099502700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001802600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003797600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001312100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002613100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000185200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001324900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000565700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000584200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001904000000000 ]- atom: 21 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0003104500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003145600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003791100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002335100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003172800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002588300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005787600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004170400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003653900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003768200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002138300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004606600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002716300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003975400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002464300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001566600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002725200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0301823700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005944000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001113400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0423162500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002512300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003091100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000640600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002590700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003178900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000230600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001218100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000648600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001538000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001823000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001756500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000924000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000244800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001429000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001197800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004706500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000758600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001903700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003067300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003363100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003517100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001410500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004261400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000570200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004528700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000536900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002419600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000085700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015540700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0102399300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000696900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001327800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001155100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005055400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002322800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003812400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003050500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003078300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000591900000000 ]- atom: 22 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000005700000000, -0.0000000100000000, 0.0000611800000000 ] - [ -0.0000002800000000, -0.0000000400000000, 0.0000661300000000 ] - [ 0.0000007700000000, -0.0000004800000000, 0.0001289400000000 ] - [ -0.0000005400000000, -0.0000000200000000, -0.0000142200000000 ] - [ -0.0001879500000000, 0.0000015700000000, 0.0000699300000000 ] - [ 0.0000004700000000, -0.0000000100000000, 0.0000114300000000 ] - [ 0.0000014100000000, -0.0000005100000000, 0.0003301600000000 ] - [ -0.0000001600000000, -0.0000000300000000, 0.0001686100000000 ] - [ 0.0000007500000000, -0.0000005200000000, 0.0001174900000000 ] - [ 0.0107312300000000, -0.0002056900000000, -0.0001114400000000 ] - [ 0.0000012900000000, -0.0000004800000000, -0.0000504700000000 ] - [ -0.0000002200000000, -0.0000000300000000, 0.0002128400000000 ] - [ 0.0000011600000000, -0.0000005100000000, 0.0000235700000000 ] - [ 0.0000006100000000, -0.0000005500000000, 0.0001484200000000 ] - [ 0.0000014400000000, -0.0000005200000000, -0.0000020800000000 ] - [ 0.0000001200000000, -0.0000000700000000, -0.0000910300000000 ] - [ 0.0000006100000000, -0.0000000400000000, 0.0000252500000000 ] - [ -0.0000001500000000, -0.0000000400000000, 0.0000135600000000 ] - [ 0.0000228600000000, -0.0000005700000000, 0.0003460600000000 ] - [ 0.0000007000000000, -0.0000004900000000, 0.0001840200000000 ] - [ 0.0000006700000000, -0.0000000700000000, 0.0001483100000000 ] - [ -0.0121606900000000, 0.0001666400000000, 0.0001277700000000 ] - [ -0.0000000100000000, 0.0000001000000000, -0.0001886400000000 ] - [ 0.0000014700000000, -0.0000001000000000, 0.0000623900000000 ] - [ 0.0008961400000000, -0.0000110400000000, -0.0001310200000000 ] - [ 0.0000003900000000, 0.0000000700000000, -0.0001915000000000 ] - [ 0.0000002200000000, 0.0000000700000000, 0.0001498300000000 ] - [ 0.0000005400000000, -0.0000000900000000, -0.0000011400000000 ] - [ -0.0000717800000000, -0.0000000800000000, 0.0000620900000000 ] - [ 0.0008228000000000, 0.0000522800000000, 0.0002511900000000 ] - [ 0.0000003400000000, 0.0000003000000000, -0.0000619800000000 ] - [ 0.0000001400000000, 0.0000001400000000, -0.0000550200000000 ] - [ 0.0000006100000000, -0.0000001000000000, 0.0000340700000000 ] - [ -0.0000002700000000, -0.0000001100000000, 0.0001507700000000 ] - [ 0.0000006600000000, -0.0000000500000000, -0.0000213400000000 ] - [ -0.0000716500000000, 0.0000006800000000, 0.0002466900000000 ] - [ 0.0000000800000000, 0.0000001300000000, -0.0003500000000000 ] - [ 0.0000005900000000, -0.0000000700000000, 0.0000459000000000 ] - [ 0.0000005300000000, 0.0000000300000000, -0.0000689000000000 ] - [ 0.0000002000000000, -0.0000000700000000, -0.0001848900000000 ] - [ -0.0000004300000000, 0.0000002200000000, -0.0002155400000000 ] - [ 0.0000000000000000, 0.0000001800000000, -0.0001902500000000 ] - [ 0.0000004800000000, 0.0000000500000000, -0.0000157800000000 ] - [ 0.0000006100000000, 0.0000000500000000, -0.0002997200000000 ] - [ 0.0000004200000000, 0.0000000600000000, 0.0000689500000000 ] - [ 0.0000002800000000, 0.0000001500000000, -0.0002925500000000 ] - [ -0.0000000400000000, -0.0000001500000000, 0.0000692000000000 ] - [ 0.0000005800000000, -0.0000001000000000, -0.0001155000000000 ] - [ 0.0000004800000000, -0.0000000100000000, 0.0001129000000000 ] - [ 0.0000005200000000, -0.0000001200000000, 0.0001770300000000 ] - [ 0.0000007300000000, 0.0000000600000000, -0.0002364400000000 ] - [ -0.0000001400000000, -0.0000001100000000, 0.0000569300000000 ] - [ -0.0000000200000000, -0.0000000700000000, 0.0002545400000000 ] - [ -0.0000018100000000, -0.0000001500000000, 0.0000057300000000 ] - [ -0.0000003000000000, 0.0000001500000000, -0.0003846600000000 ] - [ 0.0000011600000000, 0.0000000600000000, -0.0001053300000000 ] - [ 0.0000005400000000, 0.0000000600000000, -0.0002555600000000 ] - [ 0.0000001300000000, 0.0000000200000000, -0.0001824800000000 ] - [ 0.0000002300000000, 0.0000001000000000, -0.0001813100000000 ] - [ 0.0000008800000000, -0.0000000900000000, 0.0000669500000000 ]- atom: 22 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0001916800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001855900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001234700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002678100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000580500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002412400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000773600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000842000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001350100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0302656100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003031800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000399200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002296700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001032300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002545300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003437600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002269300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002388500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000826800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000690500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002753200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0422251600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000616600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001884900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015896200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000649200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002768200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001268000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002404000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0102797000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000597400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000721400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001611100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002772300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001057600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004247300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002233900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001728400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000584900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000581100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000887900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000637300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001118100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001724900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001956100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001654200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001971200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000123100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002398200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003047000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001098600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001829400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003809900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001329000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002583500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000214900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001279900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000538400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000546700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001939200000000 ]- atom: 22 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0003144600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003184700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003818400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002381700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000832800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002627200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005819200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004201700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003689300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0302378800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002006800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004645100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002747200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004010200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002493200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001603900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002751200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002653300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006082700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004351200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000235900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0423215600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003120200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000662000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0018169000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003200100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000203000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001299900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001175600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0099120400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001799900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001788200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000946700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000223900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001454300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000673100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004737200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000777100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001929100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003089100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003379200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003143200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001452200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004287000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000596000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004171100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000562600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002445600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000109600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000484300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003644600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000720300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001317300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001169700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005083600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002341500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003845300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003078400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003104300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000615500000000 ]- atom: 23 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000293300000000, -0.0000001600000000, 0.0000614000000000 ] - [ 0.0000003200000000, 0.0000000400000000, 0.0000662500000000 ] - [ 0.0000006200000000, -0.0000004000000000, 0.0001290600000000 ] - [ -0.0000007600000000, 0.0000000600000000, -0.0000140800000000 ] - [ 0.0000010400000000, -0.0000004100000000, 0.0000690600000000 ] - [ -0.0000750100000000, -0.0000015200000000, 0.0000085900000000 ] - [ 0.0000005800000000, -0.0000004300000000, 0.0003303000000000 ] - [ 0.0000000000000000, 0.0000000500000000, 0.0001687300000000 ] - [ 0.0000010600000000, -0.0000004400000000, 0.0001176100000000 ] - [ -0.0000010600000000, 0.0000000300000000, 0.0001290200000000 ] - [ 0.0000006300000000, -0.0000004000000000, -0.0000503300000000 ] - [ 0.0000000400000000, 0.0000000500000000, 0.0002129500000000 ] - [ 0.0109763300000000, -0.0002043300000000, 0.0002645700000000 ] - [ 0.0000013500000000, -0.0000004500000000, 0.0001485100000000 ] - [ 0.0000012000000000, -0.0000004400000000, -0.0000019400000000 ] - [ 0.0000013800000000, 0.0000000200000000, -0.0000909100000000 ] - [ -0.0000000900000000, 0.0000000300000000, 0.0000253800000000 ] - [ 0.0000000300000000, 0.0000000400000000, 0.0000136700000000 ] - [ 0.0000012700000000, -0.0000004000000000, 0.0003462800000000 ] - [ 0.0000011600000000, -0.0000004100000000, 0.0001841300000000 ] - [ -0.0000006700000000, 0.0000000200000000, 0.0001481700000000 ] - [ -0.0000001300000000, 0.0000001500000000, -0.0001241400000000 ] - [ -0.0127772300000000, 0.0001447300000000, -0.0004368000000000 ] - [ -0.0000020600000000, -0.0000000300000000, 0.0000623300000000 ] - [ 0.0000002900000000, 0.0000002300000000, -0.0001391800000000 ] - [ 0.0008966100000000, 0.0000088800000000, -0.0002049400000000 ] - [ -0.0000005900000000, 0.0000001400000000, 0.0001497000000000 ] - [ 0.0000002300000000, -0.0000000100000000, -0.0000012600000000 ] - [ 0.0000001600000000, -0.0000000100000000, 0.0000618300000000 ] - [ -0.0000001600000000, 0.0000000000000000, 0.0002744200000000 ] - [ 0.0000004000000000, 0.0000002400000000, -0.0000621300000000 ] - [ 0.0000001300000000, 0.0000002200000000, -0.0000551600000000 ] - [ 0.0008237800000000, 0.0000521400000000, 0.0000573200000000 ] - [ 0.0000000900000000, -0.0000000200000000, 0.0001506400000000 ] - [ -0.0000002300000000, 0.0000000300000000, -0.0000214900000000 ] - [ 0.0000001800000000, -0.0000000200000000, 0.0002468700000000 ] - [ 0.0000001200000000, 0.0000002200000000, -0.0003501400000000 ] - [ -0.0000004300000000, 0.0000000200000000, 0.0000457600000000 ] - [ 0.0000900500000000, 0.0000007300000000, -0.0000687100000000 ] - [ -0.0000003400000000, 0.0000000200000000, -0.0001850200000000 ] - [ -0.0000005200000000, 0.0000002900000000, -0.0002156700000000 ] - [ -0.0000006500000000, 0.0000002600000000, -0.0001903800000000 ] - [ 0.0000009400000000, 0.0000000500000000, -0.0000159100000000 ] - [ -0.0000003400000000, 0.0000001300000000, -0.0002998500000000 ] - [ -0.0000008300000000, 0.0000001500000000, 0.0000688200000000 ] - [ 0.0000004900000000, 0.0000002400000000, -0.0002927000000000 ] - [ -0.0000005000000000, -0.0000000700000000, 0.0000690600000000 ] - [ -0.0000001700000000, -0.0000000200000000, -0.0001156200000000 ] - [ 0.0000904800000000, -0.0000001600000000, 0.0001119700000000 ] - [ 0.0000002800000000, -0.0000000300000000, 0.0001769000000000 ] - [ -0.0000000700000000, 0.0000001500000000, -0.0002365600000000 ] - [ -0.0000003300000000, -0.0000000300000000, 0.0000567900000000 ] - [ -0.0000001800000000, 0.0000000100000000, 0.0002544000000000 ] - [ -0.0000008400000000, -0.0000000300000000, 0.0000056200000000 ] - [ 0.0000001600000000, 0.0000002300000000, -0.0003848000000000 ] - [ 0.0000000000000000, 0.0000001500000000, -0.0001054500000000 ] - [ 0.0000000000000000, 0.0000001500000000, -0.0002556800000000 ] - [ 0.0000007600000000, 0.0000001100000000, -0.0001826000000000 ] - [ 0.0000000100000000, 0.0000001900000000, -0.0001814500000000 ] - [ 0.0000003700000000, 0.0000000000000000, 0.0000668300000000 ]- atom: 23 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0002050300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001802700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001185200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002626500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001784600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000733200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000827200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000795500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001298800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001193200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002980900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000352300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0304492300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000979900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002493700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003385300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002232700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002339800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000985500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000640000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002715000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000011100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0427308600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001846200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000141400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014867600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002727800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001226900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001850400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003995000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000637800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000700200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0102231200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002743600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001024000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003706500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002248900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001700600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000938900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000607100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000907400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000664500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001018600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001760600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001915600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001684300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001948000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000081300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002749500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003013200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001127300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001793400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003786200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001302900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002597200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000186100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001313200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000562800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000581200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001912600000000 ]- atom: 23 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0003277100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003142100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003777100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002343900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003166900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000588300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005780900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004171900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003653700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003778000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001971900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004614100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0301746300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003963300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002455200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001566600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002733700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002618500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005939800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004319800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000239300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002471700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0420026600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000607200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002644100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0019190500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000264500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001244100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000615200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001488800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001884900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001809200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0099689800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000274100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001459800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001233500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004760800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000790100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002322000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003099600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003402800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003146200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001338600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004236000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000530800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004178600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000594100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002386700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000516500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000526400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003599900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000665800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001298300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001192600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005108200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002293800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003797100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003099300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003043900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000571500000000 ]- atom: 24 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000000600000000, -0.0000000200000000, 0.0000611000000000 ] - [ -0.0000002300000000, -0.0000000600000000, 0.0000660500000000 ] - [ 0.0000086800000000, -0.0000000700000000, 0.0001287300000000 ] - [ -0.0000001400000000, -0.0000000400000000, -0.0000143000000000 ] - [ 0.0000013700000000, -0.0000005100000000, 0.0000688600000000 ] - [ -0.0001898800000000, -0.0000021000000000, 0.0000123700000000 ] - [ 0.0000013300000000, -0.0000005300000000, 0.0003300800000000 ] - [ 0.0000002100000000, -0.0000000400000000, 0.0001685300000000 ] - [ 0.0000012800000000, -0.0000005300000000, 0.0001174100000000 ] - [ -0.0000001300000000, -0.0000000700000000, 0.0001288100000000 ] - [ 0.0000013500000000, -0.0000005000000000, -0.0000505400000000 ] - [ -0.0000007000000000, -0.0000000500000000, 0.0002127500000000 ] - [ 0.0000014100000000, -0.0000005500000000, 0.0000234900000000 ] - [ 0.0107348700000000, 0.0002052000000000, -0.0000920700000000 ] - [ 0.0000008200000000, -0.0000005400000000, -0.0000021600000000 ] - [ -0.0000002600000000, -0.0000000800000000, -0.0000911100000000 ] - [ -0.0000004600000000, -0.0000000700000000, 0.0000251500000000 ] - [ 0.0000003800000000, -0.0000000600000000, 0.0000134700000000 ] - [ 0.0000008900000000, -0.0000004900000000, 0.0003460600000000 ] - [ 0.0000012800000000, -0.0000005000000000, 0.0001839400000000 ] - [ 0.0000004100000000, -0.0000000900000000, 0.0001481900000000 ] - [ 0.0000012100000000, 0.0000000400000000, -0.0001240300000000 ] - [ -0.0000021700000000, 0.0000001100000000, -0.0001887700000000 ] - [ -0.0121655300000000, -0.0001556500000000, 0.0003190100000000 ] - [ 0.0000002200000000, 0.0000001200000000, -0.0001391800000000 ] - [ -0.0000723500000000, 0.0000000500000000, -0.0001914000000000 ] - [ 0.0000006300000000, 0.0000000500000000, 0.0001498000000000 ] - [ 0.0000008300000000, -0.0000001100000000, -0.0000011700000000 ] - [ -0.0000002700000000, -0.0000001200000000, 0.0000619200000000 ] - [ 0.0000004300000000, -0.0000001000000000, 0.0002744300000000 ] - [ 0.0000001000000000, 0.0000001300000000, -0.0000621100000000 ] - [ -0.0000003000000000, 0.0000001300000000, -0.0000551400000000 ] - [ 0.0000005900000000, -0.0000001200000000, 0.0000340300000000 ] - [ 0.0000005600000000, -0.0000001200000000, 0.0001507400000000 ] - [ 0.0000005700000000, -0.0000000700000000, -0.0000214700000000 ] - [ 0.0000009000000000, -0.0000001300000000, 0.0002469600000000 ] - [ 0.0000002600000000, 0.0000001100000000, -0.0003501300000000 ] - [ 0.0000001800000000, -0.0000000900000000, 0.0000457700000000 ] - [ 0.0000000000000000, 0.0000000100000000, -0.0000690100000000 ] - [ 0.0000001700000000, -0.0000000800000000, -0.0001850100000000 ] - [ -0.0000077000000000, 0.0000002400000000, -0.0002156500000000 ] - [ 0.0000001400000000, 0.0000001600000000, -0.0001903800000000 ] - [ -0.0000004200000000, 0.0000000400000000, -0.0000158100000000 ] - [ 0.0000007400000000, 0.0000000300000000, -0.0002997700000000 ] - [ 0.0000012000000000, 0.0000000400000000, 0.0000689000000000 ] - [ 0.0000001100000000, 0.0000001400000000, -0.0002926800000000 ] - [ 0.0000005100000000, -0.0000001600000000, 0.0000690900000000 ] - [ 0.0000005600000000, -0.0000001200000000, -0.0001155300000000 ] - [ 0.0009010700000000, 0.0000112100000000, 0.0001208800000000 ] - [ 0.0000007000000000, -0.0000001400000000, 0.0001769800000000 ] - [ 0.0000003000000000, 0.0000000500000000, -0.0002364900000000 ] - [ -0.0000439200000000, -0.0000014100000000, 0.0000566300000000 ] - [ 0.0000005600000000, -0.0000000900000000, 0.0002544200000000 ] - [ -0.0000002100000000, -0.0000001400000000, 0.0000056300000000 ] - [ 0.0000000100000000, 0.0000001300000000, -0.0003847800000000 ] - [ 0.0000005700000000, 0.0000000500000000, -0.0001053600000000 ] - [ 0.0000004100000000, 0.0000000500000000, -0.0002556000000000 ] - [ 0.0008155500000000, -0.0000525100000000, -0.0002061300000000 ] - [ 0.0000008500000000, 0.0000000900000000, -0.0001813500000000 ] - [ 0.0000005300000000, -0.0000001000000000, 0.0000669000000000 ]- atom: 24 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0001910600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001853500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001344500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002668300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001832400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000009200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000782900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000838100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001344600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001233300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003027600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000400100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002280500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0302802600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002542200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003434100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002274400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002383900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000939900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000684000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002741300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000019900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000623600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0420279400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000120700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000133800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002760600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001263300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001874400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004011500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000644100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000713900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001606000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002777000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001056400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003730500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002231200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001725600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000569200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000588500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000895200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000640700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001101300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001739300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001949200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001659700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001967600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000113600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0018461800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003034500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001098800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002226600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003816400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001321600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002584100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000213100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001288500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0098313300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000551400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001939800000000 ]- atom: 24 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0003133600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003178100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003922200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002369400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003196900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000249900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005807400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004195400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003680900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003797600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002000600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004643100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002728900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0302116300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002487500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001597700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002755000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002645300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005967600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004343500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000247400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002530900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003116400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0425193100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002623300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003702200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000204400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001304100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000667400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001513800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001848900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001782700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000947000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000212300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001453800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001181500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004740900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000775000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001918600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003082400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003379600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003140500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001438700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004281100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000596700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004165200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000559700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002445100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015711100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000488700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003653300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001112800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001308100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001167400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005082700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002347300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003845200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0103786000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003103500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000623900000000 ]- atom: 25 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000013400000000, 0.0000000800000000, 0.0000613200000000 ] - [ -0.0000009800000000, 0.0000000400000000, 0.0000662500000000 ] - [ 0.0000003700000000, -0.0000003900000000, 0.0001290600000000 ] - [ -0.0000008300000000, 0.0000000600000000, -0.0000140800000000 ] - [ 0.0109757400000000, -0.0002043000000000, 0.0003099500000000 ] - [ 0.0000000100000000, 0.0000000700000000, 0.0000115600000000 ] - [ 0.0000005400000000, -0.0000004300000000, 0.0003303000000000 ] - [ -0.0000009100000000, 0.0000000600000000, 0.0001687500000000 ] - [ 0.0000009600000000, -0.0000004400000000, 0.0001176400000000 ] - [ -0.0000750900000000, -0.0000015600000000, 0.0001260500000000 ] - [ 0.0000004200000000, -0.0000004000000000, -0.0000503300000000 ] - [ 0.0000001400000000, 0.0000000500000000, 0.0002129700000000 ] - [ 0.0000005400000000, -0.0000004300000000, 0.0000237000000000 ] - [ 0.0000010600000000, -0.0000004700000000, 0.0001485400000000 ] - [ 0.0000003000000000, -0.0000004400000000, -0.0000019400000000 ] - [ -0.0000000100000000, 0.0000000200000000, -0.0000909000000000 ] - [ -0.0000295100000000, -0.0000002100000000, 0.0000254700000000 ] - [ -0.0000008700000000, 0.0000000400000000, 0.0000136900000000 ] - [ 0.0000013100000000, -0.0000003900000000, 0.0003462700000000 ] - [ 0.0000007900000000, -0.0000004100000000, 0.0001841400000000 ] - [ -0.0000000600000000, 0.0000000100000000, 0.0001481500000000 ] - [ 0.0008959800000000, 0.0000088700000000, -0.0001373800000000 ] - [ 0.0000003700000000, 0.0000001900000000, -0.0001888000000000 ] - [ 0.0000002100000000, -0.0000000100000000, 0.0000623000000000 ] - [ -0.0127726900000000, 0.0001447500000000, -0.0003874900000000 ] - [ -0.0000001300000000, 0.0000001600000000, -0.0001916000000000 ] - [ -0.0000007300000000, 0.0000001400000000, 0.0001497200000000 ] - [ 0.0000002700000000, -0.0000000100000000, -0.0000012400000000 ] - [ 0.0008227600000000, 0.0000521400000000, 0.0000852400000000 ] - [ 0.0000903500000000, -0.0000002400000000, 0.0002736100000000 ] - [ 0.0000007900000000, 0.0000002300000000, -0.0000621500000000 ] - [ 0.0000009900000000, 0.0000002200000000, -0.0000551800000000 ] - [ 0.0000001800000000, -0.0000000200000000, 0.0000339700000000 ] - [ 0.0000002400000000, -0.0000000200000000, 0.0001506700000000 ] - [ -0.0000002400000000, 0.0000000300000000, -0.0000215100000000 ] - [ -0.0000021400000000, -0.0000000400000000, 0.0002469600000000 ] - [ 0.0000001100000000, 0.0000002200000000, -0.0003501600000000 ] - [ -0.0000000400000000, 0.0000000100000000, 0.0000457300000000 ] - [ -0.0000003600000000, 0.0000001200000000, -0.0000690500000000 ] - [ -0.0000001100000000, 0.0000000200000000, -0.0001850500000000 ] - [ 0.0000007400000000, 0.0000002900000000, -0.0002156900000000 ] - [ 0.0000004200000000, 0.0000002600000000, -0.0001904000000000 ] - [ -0.0000000600000000, 0.0000001400000000, -0.0000158800000000 ] - [ -0.0000001800000000, 0.0000001300000000, -0.0002998300000000 ] - [ -0.0000005600000000, 0.0000001400000000, 0.0000688500000000 ] - [ 0.0000005500000000, 0.0000002400000000, -0.0002927100000000 ] - [ -0.0000001100000000, -0.0000000600000000, 0.0000690400000000 ] - [ -0.0000003500000000, -0.0000000200000000, -0.0001156000000000 ] - [ -0.0000007200000000, 0.0000000800000000, 0.0001127400000000 ] - [ -0.0000001200000000, -0.0000000400000000, 0.0001769300000000 ] - [ 0.0000000200000000, 0.0000001500000000, -0.0002365500000000 ] - [ -0.0000003500000000, -0.0000000300000000, 0.0000568200000000 ] - [ 0.0000001100000000, 0.0000000100000000, 0.0002543700000000 ] - [ 0.0000904500000000, 0.0000005900000000, 0.0000058900000000 ] - [ 0.0000002400000000, 0.0000002300000000, -0.0003848200000000 ] - [ -0.0000002200000000, 0.0000001500000000, -0.0001054300000000 ] - [ -0.0000002900000000, 0.0000001500000000, -0.0002556600000000 ] - [ -0.0000007900000000, 0.0000001000000000, -0.0001826300000000 ] - [ 0.0000000600000000, 0.0000001000000000, -0.0001814200000000 ] - [ 0.0000000700000000, 0.0000000000000000, 0.0000668400000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0001867600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001813100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001192700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002625400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0304943800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002364200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000823700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000794600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001301800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001906500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002984400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000349800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002244000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000980700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002497600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003393000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002412800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002344400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000984900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000640700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002715300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015524500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000640000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001852900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0426674800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000682700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002721300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001230600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0102509600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004369100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000627800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000696100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001573000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002742400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001024400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003697700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002253400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001695700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000555700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000616700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000903900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000655300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001079900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001760000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001915900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001686800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001940100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000078600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002364500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003008000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001124000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001792300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003783800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001690200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002600300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000180100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001319400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000569200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000637700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001902500000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0003104300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003151300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003785700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002339500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0301296300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002591800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005780300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004167300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003652300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000582600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001971100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004606100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002706300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003968800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002456700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001570500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002901400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002620000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005936500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004314200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000266500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0018529800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003106200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000638200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0420396800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003174700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000240800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001272600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0099451800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001129400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001837900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001771000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000916200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000244800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001428700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001211300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004725400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000752100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001908600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003061000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003373600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003132800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001422100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004261700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000565400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004145400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000539800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002411100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000085500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000513300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003629300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000689900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001334900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001543600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005073800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002316300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003815500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003056800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003022400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000588600000000 ]- atom: 26 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000006600000000, 0.0000000100000000, 0.0000611800000000 ] - [ -0.0000002400000000, -0.0000000400000000, 0.0000661300000000 ] - [ 0.0000006300000000, -0.0000004800000000, 0.0001289300000000 ] - [ -0.0000000700000000, -0.0000000200000000, -0.0000142200000000 ] - [ 0.0000006900000000, -0.0000004900000000, 0.0000689300000000 ] - [ 0.0107303000000000, -0.0002056300000000, -0.0002288900000000 ] - [ 0.0000010900000000, -0.0000005200000000, 0.0003301700000000 ] - [ 0.0000003500000000, -0.0000000300000000, 0.0001686000000000 ] - [ 0.0000007400000000, -0.0000005200000000, 0.0001174900000000 ] - [ 0.0000000500000000, -0.0000000500000000, 0.0001288900000000 ] - [ 0.0000011900000000, -0.0000004800000000, -0.0000504600000000 ] - [ 0.0000004500000000, -0.0000000400000000, 0.0002128300000000 ] - [ -0.0001880800000000, 0.0000015600000000, 0.0000245800000000 ] - [ 0.0000228800000000, -0.0000006400000000, 0.0001483000000000 ] - [ 0.0000005800000000, -0.0000005300000000, -0.0000020700000000 ] - [ 0.0000005400000000, -0.0000000700000000, -0.0000910300000000 ] - [ 0.0000005400000000, -0.0000000600000000, 0.0000252400000000 ] - [ 0.0000004300000000, -0.0000000400000000, 0.0000135400000000 ] - [ 0.0000001500000000, -0.0000004800000000, 0.0003461600000000 ] - [ 0.0000006500000000, -0.0000004900000000, 0.0001840200000000 ] - [ 0.0000004700000000, -0.0000000700000000, 0.0001482700000000 ] - [ 0.0000006000000000, 0.0000000600000000, -0.0001239600000000 ] - [ 0.0008966500000000, -0.0000110900000000, -0.0001806200000000 ] - [ -0.0000718700000000, 0.0000007000000000, 0.0000621200000000 ] - [ 0.0000001000000000, 0.0000001500000000, -0.0001390800000000 ] - [ -0.0121599300000000, 0.0001665600000000, 0.0000603300000000 ] - [ 0.0000002700000000, 0.0000000700000000, 0.0001498700000000 ] - [ 0.0000006000000000, -0.0000000900000000, -0.0000011100000000 ] - [ 0.0000014800000000, -0.0000001000000000, 0.0000620000000000 ] - [ 0.0000004200000000, -0.0000000800000000, 0.0002745200000000 ] - [ 0.0000002300000000, 0.0000001500000000, -0.0000620300000000 ] - [ -0.0000002000000000, 0.0000001400000000, -0.0000550600000000 ] - [ -0.0000718300000000, -0.0000000900000000, 0.0000342300000000 ] - [ 0.0000008600000000, -0.0000001000000000, 0.0001508000000000 ] - [ 0.0000003700000000, -0.0000000500000000, -0.0000213800000000 ] - [ 0.0000009100000000, -0.0000001100000000, 0.0002470400000000 ] - [ 0.0000001900000000, 0.0000001300000000, -0.0003500400000000 ] - [ 0.0000006200000000, -0.0000000700000000, 0.0000458600000000 ] - [ -0.0000016400000000, 0.0000000100000000, -0.0000689400000000 ] - [ 0.0000004800000000, -0.0000000600000000, -0.0001849200000000 ] - [ -0.0000004500000000, 0.0000002200000000, -0.0002155700000000 ] - [ 0.0000002100000000, 0.0000001800000000, -0.0001902900000000 ] - [ 0.0000002000000000, 0.0000000600000000, -0.0000157400000000 ] - [ 0.0000002300000000, 0.0000000500000000, -0.0002997000000000 ] - [ -0.0000004400000000, 0.0000000600000000, 0.0000689800000000 ] - [ 0.0000000400000000, 0.0000001600000000, -0.0002925900000000 ] - [ -0.0000001200000000, -0.0000001500000000, 0.0000691700000000 ] - [ 0.0000007500000000, -0.0000001000000000, -0.0001154600000000 ] - [ 0.0008228300000000, 0.0000523600000000, 0.0000894900000000 ] - [ 0.0000014800000000, -0.0000001200000000, 0.0001770500000000 ] - [ 0.0000003900000000, 0.0000000600000000, -0.0002364100000000 ] - [ 0.0000004600000000, -0.0000001000000000, 0.0000569600000000 ] - [ 0.0000000300000000, -0.0000000700000000, 0.0002545000000000 ] - [ 0.0000005500000000, -0.0000001100000000, 0.0000057100000000 ] - [ -0.0000002500000000, 0.0000001500000000, -0.0003847000000000 ] - [ 0.0000002100000000, 0.0000000600000000, -0.0001052900000000 ] - [ 0.0000004800000000, 0.0000000600000000, -0.0002555300000000 ] - [ 0.0000006400000000, 0.0000001700000000, -0.0001824800000000 ] - [ -0.0000006000000000, 0.0000001000000000, -0.0001813000000000 ] - [ 0.0000010200000000, -0.0000000900000000, 0.0000669900000000 ]- atom: 26 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0001908100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001851100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001241800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002668900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001837100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0301469600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000773700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000838500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001354700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001236000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003033600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000394100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000122000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001138400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002547400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003436500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002279800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002386900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000928400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000692700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002748200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000023000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015412300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002392700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000117300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0422930500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002769000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001262600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001882900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004015500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000657200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000721000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002130000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002779600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001055400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003738500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002226000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001734900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000573300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000578400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000888600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000635300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001115500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001725400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001949400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001661100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001966000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000118400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0101187100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003043200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001096900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001833600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003815900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001335300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002582300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000219900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001277100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000590700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000553200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001934200000000 ]- atom: 26 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0003130000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003181000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003823300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002376700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003208200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0303530800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005824400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004203900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003699300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003810800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002014200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004646000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000385000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004111600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002498800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001607700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002769700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002655700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005986900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004361300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000212400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002496800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0018711200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001134200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002660200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0422589900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000232300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001269800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000637400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001475500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001897400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001822000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001421200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000247000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001483600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001212300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004776700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000816100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001955600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003120900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003412000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003170200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001420200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004261600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000553600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004194100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000605600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002414300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100773400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000508800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003620900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000700500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001276800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001218000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005115900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002318000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003823400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003068000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003062200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000583600000000 ]- atom: 27 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000000500000000, 0.0000000200000000, 0.0000610900000000 ] - [ -0.0000002300000000, -0.0000000100000000, 0.0000660300000000 ] - [ 0.0000013200000000, -0.0000004500000000, 0.0001288500000000 ] - [ -0.0000001600000000, 0.0000000100000000, -0.0000143000000000 ] - [ 0.0000006600000000, -0.0000004700000000, 0.0000688500000000 ] - [ 0.0000005200000000, 0.0000000200000000, 0.0000113600000000 ] - [ 0.0000228000000000, -0.0000005900000000, 0.0003299900000000 ] - [ -0.0000002700000000, 0.0000000000000000, 0.0001685100000000 ] - [ 0.0000014100000000, -0.0000004900000000, 0.0001173900000000 ] - [ 0.0000005600000000, -0.0000000100000000, 0.0001288100000000 ] - [ 0.0000013500000000, -0.0000004500000000, -0.0000505500000000 ] - [ 0.0107351800000000, -0.0002057100000000, -0.0000276500000000 ] - [ 0.0000004700000000, -0.0000004900000000, 0.0000234900000000 ] - [ 0.0000011400000000, -0.0000005100000000, 0.0001482900000000 ] - [ 0.0000007000000000, -0.0000005000000000, -0.0000021600000000 ] - [ -0.0000005500000000, -0.0000000400000000, -0.0000911200000000 ] - [ -0.0000001100000000, -0.0000000300000000, 0.0000251600000000 ] - [ 0.0000000600000000, -0.0000000200000000, 0.0000134500000000 ] - [ -0.0001881700000000, 0.0000016200000000, 0.0003470800000000 ] - [ 0.0000012700000000, -0.0000004600000000, 0.0001839300000000 ] - [ 0.0000001300000000, -0.0000000500000000, 0.0001481700000000 ] - [ 0.0000002200000000, 0.0000000900000000, -0.0001240200000000 ] - [ -0.0000003200000000, 0.0000001300000000, -0.0001887800000000 ] - [ 0.0000005300000000, -0.0000000700000000, 0.0000623600000000 ] - [ -0.0000004800000000, 0.0000001700000000, -0.0001392100000000 ] - [ 0.0000004700000000, 0.0000000900000000, -0.0001915300000000 ] - [ -0.0121640900000000, 0.0001651400000000, 0.0004067200000000 ] - [ 0.0000005400000000, -0.0000000700000000, -0.0000011600000000 ] - [ -0.0000001700000000, -0.0000000700000000, 0.0000619600000000 ] - [ -0.0000018600000000, -0.0000000800000000, 0.0002743900000000 ] - [ 0.0008971100000000, -0.0000110300000000, -0.0000540800000000 ] - [ 0.0000002900000000, 0.0000003100000000, -0.0000551500000000 ] - [ 0.0000007100000000, -0.0000000800000000, 0.0000340500000000 ] - [ -0.0000714800000000, 0.0000007200000000, 0.0001504500000000 ] - [ 0.0000005500000000, -0.0000000200000000, -0.0000215000000000 ] - [ -0.0000718900000000, -0.0000000600000000, 0.0002471000000000 ] - [ 0.0000001000000000, 0.0000001500000000, -0.0003501500000000 ] - [ -0.0000000200000000, -0.0000000400000000, 0.0000457500000000 ] - [ 0.0000004100000000, 0.0000000600000000, -0.0000690300000000 ] - [ 0.0000006500000000, -0.0000000400000000, -0.0001850300000000 ] - [ 0.0000000900000000, 0.0000002300000000, -0.0002156900000000 ] - [ 0.0000002700000000, 0.0000002100000000, -0.0001904000000000 ] - [ 0.0000001900000000, 0.0000000800000000, -0.0000157900000000 ] - [ 0.0000011500000000, 0.0000000700000000, -0.0002997500000000 ] - [ 0.0000006900000000, 0.0000000900000000, 0.0000689100000000 ] - [ -0.0000003200000000, 0.0000001900000000, -0.0002927100000000 ] - [ 0.0000005900000000, -0.0000001200000000, 0.0000690700000000 ] - [ 0.0000008800000000, -0.0000000700000000, -0.0001155100000000 ] - [ 0.0000004300000000, 0.0000000200000000, 0.0001127300000000 ] - [ 0.0000004800000000, -0.0000000900000000, 0.0001769900000000 ] - [ 0.0000005300000000, 0.0000000900000000, -0.0002364600000000 ] - [ 0.0000006300000000, -0.0000000800000000, 0.0000569000000000 ] - [ 0.0008229600000000, 0.0000523300000000, 0.0002310200000000 ] - [ 0.0000006000000000, -0.0000000900000000, 0.0000056000000000 ] - [ 0.0000000400000000, 0.0000001700000000, -0.0003848100000000 ] - [ 0.0000001500000000, 0.0000000900000000, -0.0001053400000000 ] - [ 0.0000005500000000, 0.0000000900000000, -0.0002555700000000 ] - [ -0.0000000600000000, 0.0000000400000000, -0.0001826100000000 ] - [ 0.0000011300000000, 0.0000001300000000, -0.0001813400000000 ] - [ -0.0000003100000000, -0.0000000700000000, 0.0000669200000000 ]- atom: 27 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0001921100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001857900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001242900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002672700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001833800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002415200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000666100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000845500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001356700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001229900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003034000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0303505100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002299000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001034000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002547900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003449400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002286100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002390700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003353300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000691900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002747700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000023800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000619200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001880300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000127300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000642200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0419390600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001262600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001877900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004009900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016688800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000663600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001607800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003281400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001052600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004251700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002232400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001721400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000576200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000581000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000886800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000633500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001113500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001733200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001941100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001663200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001979600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000110500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002398300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003044900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001094900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001831100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0102610800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001331800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002583200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000214000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001286200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000542500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000552400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001931200000000 ]- atom: 27 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0003144000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003182300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003821900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002372200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003197800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002626200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005921300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004201400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003691800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003792700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002005000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0301549000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002745400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004007200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002492000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001611400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002763800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002651600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003598200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004349100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000243100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002535100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003117700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000666200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002615000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003213700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0426062400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001304800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000671700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001516100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0017420200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001728300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000950400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000291800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001447600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000673800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004737200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000767100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001922900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003087800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003385500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003146000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001451900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004289100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000591700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004159800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000569000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002443200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000111000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000477300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003658300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000723800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0099341100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001173400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005081500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002351500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003848300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003074300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003104800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000617500000000 ]- atom: 28 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000001600000000, 0.0000000400000000, 0.0000611400000000 ] - [ 0.0000004500000000, 0.0000000000000000, 0.0000660800000000 ] - [ 0.0000009400000000, -0.0000004300000000, 0.0001288900000000 ] - [ -0.0000002100000000, 0.0000000200000000, -0.0000142600000000 ] - [ 0.0000006200000000, -0.0000004500000000, 0.0000689000000000 ] - [ -0.0000007100000000, 0.0000000400000000, 0.0000113900000000 ] - [ 0.0000010600000000, -0.0000004700000000, 0.0003301200000000 ] - [ 0.0000003500000000, 0.0000000200000000, 0.0001685700000000 ] - [ 0.0000007400000000, -0.0000004800000000, 0.0001174600000000 ] - [ -0.0000002000000000, -0.0000000100000000, 0.0001288500000000 ] - [ 0.0107350100000000, 0.0002052500000000, -0.0002908700000000 ] - [ 0.0000004600000000, 0.0000000100000000, 0.0002128000000000 ] - [ 0.0000007700000000, -0.0000004800000000, 0.0000235300000000 ] - [ 0.0000012100000000, -0.0000005000000000, 0.0001483700000000 ] - [ 0.0000014000000000, -0.0000004900000000, -0.0000021200000000 ] - [ -0.0001893200000000, -0.0000021000000000, -0.0000900500000000 ] - [ 0.0000004100000000, -0.0000000200000000, 0.0000252000000000 ] - [ 0.0000219500000000, 0.0000001000000000, 0.0000134200000000 ] - [ 0.0000005300000000, -0.0000004400000000, 0.0003461100000000 ] - [ 0.0000005700000000, -0.0000004500000000, 0.0001839700000000 ] - [ 0.0000006200000000, -0.0000001800000000, 0.0001482600000000 ] - [ 0.0000001700000000, 0.0000001000000000, -0.0001240200000000 ] - [ -0.0000000400000000, 0.0000001400000000, -0.0001886900000000 ] - [ 0.0000004800000000, -0.0000000600000000, 0.0000623600000000 ] - [ 0.0000002600000000, 0.0000001800000000, -0.0001391100000000 ] - [ 0.0000005500000000, 0.0000001100000000, -0.0001915100000000 ] - [ 0.0000004200000000, 0.0000001000000000, 0.0001498000000000 ] - [ -0.0121615600000000, -0.0001591900000000, 0.0002529500000000 ] - [ 0.0000009500000000, -0.0000000600000000, 0.0000619500000000 ] - [ 0.0000002500000000, -0.0000000400000000, 0.0002745000000000 ] - [ -0.0000003900000000, 0.0000001900000000, -0.0000620400000000 ] - [ 0.0000000900000000, 0.0000001800000000, -0.0000550700000000 ] - [ 0.0000008500000000, -0.0000000600000000, 0.0000340500000000 ] - [ 0.0000005000000000, -0.0000000600000000, 0.0001507400000000 ] - [ -0.0000001600000000, -0.0000000100000000, -0.0000214000000000 ] - [ 0.0000006400000000, -0.0000000700000000, 0.0002469700000000 ] - [ 0.0000002100000000, 0.0000001700000000, -0.0003500600000000 ] - [ 0.0000004000000000, -0.0000000300000000, 0.0000458400000000 ] - [ 0.0000004500000000, 0.0000000800000000, -0.0000689400000000 ] - [ 0.0008990500000000, 0.0000112100000000, -0.0001768300000000 ] - [ -0.0000002300000000, 0.0000002600000000, -0.0002156000000000 ] - [ -0.0000004000000000, 0.0000002200000000, -0.0001903000000000 ] - [ 0.0000011100000000, 0.0000000900000000, -0.0000158000000000 ] - [ -0.0000004900000000, 0.0000000900000000, -0.0002997500000000 ] - [ -0.0000006200000000, 0.0000001000000000, 0.0000689000000000 ] - [ 0.0008226700000000, -0.0000521700000000, -0.0003159800000000 ] - [ 0.0000003800000000, -0.0000001000000000, 0.0000691500000000 ] - [ 0.0000005000000000, -0.0000000600000000, -0.0001155200000000 ] - [ 0.0000005200000000, 0.0000000300000000, 0.0001128400000000 ] - [ 0.0000004400000000, -0.0000000700000000, 0.0001770000000000 ] - [ -0.0000719700000000, -0.0000006700000000, -0.0002367700000000 ] - [ 0.0000007900000000, -0.0000000700000000, 0.0000569000000000 ] - [ 0.0000003000000000, -0.0000000300000000, 0.0002544800000000 ] - [ 0.0000005700000000, -0.0000000800000000, 0.0000056900000000 ] - [ -0.0000022400000000, 0.0000002200000000, -0.0003847200000000 ] - [ 0.0000003000000000, 0.0000001100000000, -0.0001053600000000 ] - [ -0.0000723500000000, 0.0000001000000000, -0.0002554600000000 ] - [ -0.0000004400000000, 0.0000000600000000, -0.0001825300000000 ] - [ 0.0000001400000000, 0.0000001400000000, -0.0001813400000000 ] - [ 0.0000014000000000, -0.0000000500000000, 0.0000669200000000 ]- atom: 28 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0001921800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001858500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001242600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002665400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001838400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002420100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000776000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000841600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001355000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001238100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0300859100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000398100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002295500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001028800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002536900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001011200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002278000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002495800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000931600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000691700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002688100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000030500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000626500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001892700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000120900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000641700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002773100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0420954300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001881900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004008100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000642000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000709700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001609900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002778000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001042200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003741000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002237700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001723100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000570200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015487000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000892200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000649300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001114300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001731700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001948200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0097135600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001969500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000117000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002392700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003046500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000586000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001843300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003812300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001328100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002590800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000212400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000766300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000548500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000540100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001939300000000 ]- atom: 28 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0003146900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003185000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003823900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002369300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003205100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002635600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005817500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004201600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003694400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003805400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0304172700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004643900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002746800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004004700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002485100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000777600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002761700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002759300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005978500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004354000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000300900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002536900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003114700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000672500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002625300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003208000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000197000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0424504400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000669100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001515400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001848800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001780100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000947000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000215400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001440100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001175900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004735700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000774300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001920800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0018690000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003384500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003132000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001446600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004284600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000595000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0104812700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000559300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002444300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000109600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000479500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004161700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000728900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001309800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001175200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005077800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002342200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004347600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003070400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003111500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000619300000000 ]- atom: 29 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000003500000000, 0.0000000300000000, 0.0000611400000000 ] - [ 0.0000004300000000, -0.0000000100000000, 0.0000660800000000 ] - [ 0.0000014400000000, -0.0000004500000000, 0.0001288900000000 ] - [ 0.0000005000000000, 0.0000000200000000, -0.0000142600000000 ] - [ 0.0107353700000000, 0.0002052400000000, -0.0001714700000000 ] - [ -0.0000002100000000, 0.0000000300000000, 0.0000113900000000 ] - [ 0.0000006700000000, -0.0000004700000000, 0.0003301200000000 ] - [ -0.0000002400000000, 0.0000000100000000, 0.0001685700000000 ] - [ 0.0000002900000000, -0.0000004800000000, 0.0001174600000000 ] - [ 0.0000219400000000, 0.0000000900000000, 0.0001287600000000 ] - [ 0.0000006100000000, -0.0000004400000000, -0.0000505100000000 ] - [ 0.0000004700000000, 0.0000000000000000, 0.0002128000000000 ] - [ 0.0000011600000000, -0.0000004800000000, 0.0000235300000000 ] - [ 0.0000005500000000, -0.0000005100000000, 0.0001483800000000 ] - [ 0.0000009000000000, -0.0000004800000000, -0.0000021200000000 ] - [ 0.0000004200000000, -0.0000000300000000, -0.0000910700000000 ] - [ -0.0001893000000000, -0.0000020900000000, 0.0000262200000000 ] - [ -0.0000002000000000, 0.0000000000000000, 0.0000135100000000 ] - [ 0.0000005700000000, -0.0000004400000000, 0.0003461000000000 ] - [ 0.0000005300000000, -0.0000004500000000, 0.0001839700000000 ] - [ 0.0000002700000000, -0.0000000300000000, 0.0001482400000000 ] - [ -0.0000719100000000, -0.0000006700000000, -0.0001243100000000 ] - [ -0.0000000100000000, 0.0000001500000000, -0.0001887100000000 ] - [ -0.0000002300000000, -0.0000000600000000, 0.0000624000000000 ] - [ 0.0008227800000000, -0.0000521800000000, -0.0001625100000000 ] - [ 0.0000011200000000, 0.0000001100000000, -0.0001915000000000 ] - [ -0.0000006200000000, 0.0000001000000000, 0.0001498100000000 ] - [ 0.0000009800000000, -0.0000000500000000, -0.0000011400000000 ] - [ -0.0121620800000000, -0.0001590700000000, 0.0003160600000000 ] - [ 0.0000006000000000, -0.0000002000000000, 0.0002744900000000 ] - [ -0.0000004000000000, 0.0000001900000000, -0.0000620600000000 ] - [ 0.0000001400000000, 0.0000001800000000, -0.0000550900000000 ] - [ 0.0000006500000000, -0.0000000700000000, 0.0000340600000000 ] - [ 0.0000014100000000, -0.0000000600000000, 0.0001507800000000 ] - [ 0.0000000100000000, -0.0000000200000000, -0.0000214300000000 ] - [ 0.0000004400000000, -0.0000000700000000, 0.0002469900000000 ] - [ 0.0000002200000000, 0.0000001700000000, -0.0003500800000000 ] - [ 0.0000004000000000, -0.0000000300000000, 0.0000458200000000 ] - [ 0.0000004000000000, 0.0000000700000000, -0.0000689600000000 ] - [ 0.0000006100000000, -0.0000000100000000, -0.0001849700000000 ] - [ -0.0000021300000000, 0.0000002800000000, -0.0002156200000000 ] - [ -0.0000003900000000, 0.0000002200000000, -0.0001903300000000 ] - [ 0.0000002100000000, 0.0000001000000000, -0.0000157900000000 ] - [ 0.0000001900000000, 0.0000001000000000, -0.0002997400000000 ] - [ 0.0000004200000000, 0.0000001000000000, 0.0000689400000000 ] - [ 0.0000002600000000, 0.0000002000000000, -0.0002926300000000 ] - [ 0.0000002700000000, -0.0000001000000000, 0.0000691200000000 ] - [ 0.0000008200000000, -0.0000000600000000, -0.0001155000000000 ] - [ 0.0000005000000000, 0.0000000300000000, 0.0001128200000000 ] - [ 0.0000006500000000, -0.0000000800000000, 0.0001770300000000 ] - [ 0.0000001700000000, 0.0000001000000000, -0.0002364400000000 ] - [ 0.0000004300000000, -0.0000000700000000, 0.0000569200000000 ] - [ 0.0000004200000000, -0.0000000300000000, 0.0002544700000000 ] - [ 0.0008989200000000, 0.0000111600000000, 0.0000137800000000 ] - [ -0.0000002700000000, 0.0000001800000000, -0.0003847400000000 ] - [ 0.0000004900000000, 0.0000001000000000, -0.0001053200000000 ] - [ 0.0000001300000000, 0.0000000900000000, -0.0002555700000000 ] - [ -0.0000005500000000, 0.0000000600000000, -0.0001825500000000 ] - [ -0.0000723800000000, 0.0000001400000000, -0.0001811800000000 ] - [ 0.0000008300000000, -0.0000000500000000, 0.0000669400000000 ]- atom: 29 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0001921800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001856100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001233100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002668700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0302054400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002418100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000773400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000841800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001362300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001344100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003034800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000401300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002295900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001029300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002548700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003438100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000146000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002390700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000931000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000693100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002745200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000532400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000617900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001880500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0098686400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000649000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002757300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001253500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0420339700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003959600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000642500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000716300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001605500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002773500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001049400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003738700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002232100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001724800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000575500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000579100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000891200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000641000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001110200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001724800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001958800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001655800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001973300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000117600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002395600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003042800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001093700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001834600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003814700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017400300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002581300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000211100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001281800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000551600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000028200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001940100000000 ]- atom: 29 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0003146000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003182500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003813500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002371000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0302977100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002632400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005818100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004200600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003700200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003909900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002008800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004645800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002745500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004004900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002495100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001602800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000380400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002653600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005977600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004353900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000243400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003038900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003121600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000658600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0103281900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003201800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000210800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001289300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0425132700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001567600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001845700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001784300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000942300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000219900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001447100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001175900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004740200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000774500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001922200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003092000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003380800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003140600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001445900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004290700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000601300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004169800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000566800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002443900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000110000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000485200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003653100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000724800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001310600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016773800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005086000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002340700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003846900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003068500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003608200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000619500000000 ]- atom: 30 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000004400000000, 0.0000001500000000, 0.0000613600000000 ] - [ 0.0000000400000000, 0.0000001100000000, 0.0000663000000000 ] - [ -0.0000006800000000, -0.0000003300000000, 0.0001291100000000 ] - [ 0.0000001900000000, 0.0000001400000000, -0.0000140400000000 ] - [ -0.0000285700000000, -0.0000000900000000, 0.0000692000000000 ] - [ -0.0000000900000000, 0.0000001500000000, 0.0000116000000000 ] - [ 0.0000011500000000, -0.0000003500000000, 0.0003303300000000 ] - [ -0.0000002200000000, 0.0000001300000000, 0.0001687700000000 ] - [ 0.0000001400000000, -0.0000003600000000, 0.0001176600000000 ] - [ 0.0109712000000000, 0.0002039400000000, 0.0003699100000000 ] - [ 0.0000009200000000, -0.0000003200000000, -0.0000503000000000 ] - [ 0.0000005800000000, 0.0000001200000000, 0.0002130000000000 ] - [ 0.0000022100000000, -0.0000003600000000, 0.0000237400000000 ] - [ 0.0000009000000000, -0.0000003900000000, 0.0001485900000000 ] - [ 0.0000001600000000, -0.0000003700000000, -0.0000019000000000 ] - [ -0.0000004300000000, 0.0000000900000000, -0.0000908500000000 ] - [ -0.0000004000000000, 0.0000001000000000, 0.0000254200000000 ] - [ -0.0000002800000000, 0.0000001100000000, 0.0000137200000000 ] - [ -0.0000742900000000, 0.0000012600000000, 0.0003433100000000 ] - [ 0.0000000800000000, -0.0000003300000000, 0.0001841800000000 ] - [ 0.0000010300000000, 0.0000000800000000, 0.0001481800000000 ] - [ 0.0008222200000000, -0.0000519200000000, -0.0001007100000000 ] - [ -0.0000007200000000, 0.0000002500000000, -0.0001887500000000 ] - [ 0.0000002700000000, 0.0000000500000000, 0.0000623300000000 ] - [ 0.0000900200000000, -0.0000003200000000, -0.0001388700000000 ] - [ -0.0000000200000000, 0.0000002200000000, -0.0001915600000000 ] - [ -0.0000023100000000, 0.0000002300000000, 0.0001498300000000 ] - [ 0.0000001700000000, 0.0000000600000000, -0.0000012100000000 ] - [ 0.0000004800000000, 0.0000001500000000, 0.0000619000000000 ] - [ -0.0127767200000000, -0.0001487300000000, 0.0000240000000000 ] - [ 0.0000902500000000, 0.0000005400000000, -0.0000628900000000 ] - [ -0.0000001100000000, 0.0000003000000000, -0.0000551400000000 ] - [ 0.0000004100000000, 0.0000000500000000, 0.0000340100000000 ] - [ -0.0000003200000000, 0.0000000500000000, 0.0001507200000000 ] - [ 0.0000006000000000, 0.0000001000000000, -0.0000214600000000 ] - [ 0.0008975900000000, -0.0000087000000000, 0.0002336100000000 ] - [ -0.0000002900000000, 0.0000002900000000, -0.0003501200000000 ] - [ 0.0000014900000000, 0.0000000800000000, 0.0000457800000000 ] - [ 0.0000006600000000, 0.0000001900000000, -0.0000690100000000 ] - [ 0.0000007700000000, 0.0000000900000000, -0.0001850100000000 ] - [ 0.0000000100000000, 0.0000003700000000, -0.0002156600000000 ] - [ -0.0000002700000000, 0.0000003300000000, -0.0001903700000000 ] - [ -0.0000004400000000, 0.0000002100000000, -0.0000158400000000 ] - [ -0.0000000800000000, 0.0000002100000000, -0.0002998100000000 ] - [ -0.0000002900000000, 0.0000002200000000, 0.0000688900000000 ] - [ -0.0000003700000000, 0.0000003100000000, -0.0002926700000000 ] - [ 0.0000008300000000, 0.0000000100000000, 0.0000690800000000 ] - [ 0.0000002700000000, 0.0000000500000000, -0.0001155600000000 ] - [ 0.0000009200000000, 0.0000001500000000, 0.0001127700000000 ] - [ 0.0000004400000000, 0.0000000400000000, 0.0001769600000000 ] - [ 0.0000000800000000, 0.0000002200000000, -0.0002365100000000 ] - [ 0.0000003400000000, 0.0000000400000000, 0.0000568500000000 ] - [ 0.0000012400000000, 0.0000000900000000, 0.0002544200000000 ] - [ 0.0000012100000000, 0.0000000400000000, 0.0000056300000000 ] - [ -0.0000004900000000, 0.0000003100000000, -0.0003847800000000 ] - [ 0.0000000600000000, 0.0000002200000000, -0.0001053900000000 ] - [ -0.0000005700000000, 0.0000002200000000, -0.0002556300000000 ] - [ -0.0000010300000000, 0.0000001700000000, -0.0001826000000000 ] - [ -0.0000005500000000, 0.0000002600000000, -0.0001813800000000 ] - [ 0.0000002100000000, 0.0000000700000000, 0.0000668800000000 ]- atom: 30 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0001863200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001804100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001195900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002618400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001960400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002362300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000824700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000793500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001306100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0305517000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002988900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000347200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002242800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000981400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002501500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003388000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002230200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002339500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004091900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000645700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002719700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100623200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000639500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001851100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000239600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000682700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002726300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001229100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001795700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0422594100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001004800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000687400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001580000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002735500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001033300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0019264600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002265800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001705600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000564300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000602800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000912800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000669700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001073800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001763700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001920700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001694400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001953400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000086800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002373200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003015400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001122900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001800400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003791800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001311900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002611300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000182600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001320400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000573300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000588500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001907100000000 ]- atom: 30 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0003104500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003146300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003792500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002334900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003333500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002590000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005781900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004165900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003658500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0300666500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001976600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004605800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002705400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003974200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002461700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001567000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002725100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002617200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002737100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004319600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000265300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0101283800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003102400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000635000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002989700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003173800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000237700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001269200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000590600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0424460800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002233500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001758700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000922600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000253300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001434200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014845700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004709800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000758900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001912700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003071800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003359500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003114800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001416100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004256500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000568500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004134900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000549600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002417500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000090100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000507200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003628700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000698900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001330300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001157800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005059900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002317000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003813100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003049500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003069600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000591600000000 ]- atom: 31 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000008500000000, 0.0000000800000000, 0.0000613100000000 ] - [ -0.0000010000000000, 0.0000000400000000, 0.0000662500000000 ] - [ 0.0000004200000000, -0.0000003900000000, 0.0001290500000000 ] - [ -0.0000009700000000, 0.0000000700000000, -0.0000140800000000 ] - [ 0.0000002100000000, -0.0000004100000000, 0.0000690500000000 ] - [ 0.0000012500000000, 0.0000000800000000, 0.0000115600000000 ] - [ 0.0000012500000000, -0.0000004300000000, 0.0003302900000000 ] - [ 0.0000000700000000, 0.0000000600000000, 0.0001687200000000 ] - [ 0.0000005000000000, -0.0000004300000000, 0.0001176100000000 ] - [ -0.0000295800000000, -0.0000002000000000, 0.0001291100000000 ] - [ 0.0000001700000000, -0.0000004000000000, -0.0000503300000000 ] - [ -0.0000752900000000, -0.0000015500000000, 0.0002099800000000 ] - [ 0.0000009800000000, -0.0000004300000000, 0.0000237000000000 ] - [ 0.0000004700000000, -0.0000004600000000, 0.0001485100000000 ] - [ 0.0000008600000000, -0.0000004400000000, -0.0000019400000000 ] - [ -0.0000008800000000, 0.0000000200000000, -0.0000909000000000 ] - [ -0.0000018000000000, 0.0000000300000000, 0.0000253700000000 ] - [ -0.0000001100000000, 0.0000000500000000, 0.0000136500000000 ] - [ 0.0109755700000000, -0.0002042700000000, 0.0005871400000000 ] - [ 0.0000003600000000, -0.0000004000000000, 0.0001841400000000 ] - [ -0.0000002200000000, 0.0000000200000000, 0.0001481100000000 ] - [ 0.0000000000000000, 0.0000000600000000, -0.0001240800000000 ] - [ -0.0000000200000000, 0.0000001900000000, -0.0001888400000000 ] - [ 0.0000000600000000, -0.0000000100000000, 0.0000623200000000 ] - [ 0.0000006600000000, 0.0000002300000000, -0.0001392500000000 ] - [ -0.0000001200000000, 0.0000001600000000, -0.0001915800000000 ] - [ 0.0008969000000000, 0.0000089000000000, 0.0001364400000000 ] - [ -0.0000004300000000, -0.0000000100000000, -0.0000012100000000 ] - [ -0.0000004400000000, -0.0000000200000000, 0.0000619000000000 ] - [ 0.0000902500000000, 0.0000006300000000, 0.0002746700000000 ] - [ -0.0127692400000000, 0.0001445400000000, -0.0003099300000000 ] - [ 0.0000007000000000, 0.0000002300000000, -0.0000552200000000 ] - [ -0.0000003100000000, -0.0000000200000000, 0.0000340000000000 ] - [ -0.0000022200000000, -0.0000000300000000, 0.0001507600000000 ] - [ -0.0000001300000000, 0.0000000400000000, -0.0000215700000000 ] - [ 0.0008228900000000, 0.0000521300000000, 0.0002702900000000 ] - [ 0.0000009100000000, 0.0000002200000000, -0.0003502100000000 ] - [ 0.0000000600000000, 0.0000000200000000, 0.0000456900000000 ] - [ -0.0000003000000000, 0.0000001300000000, -0.0000691000000000 ] - [ -0.0000002900000000, 0.0000000200000000, -0.0001850900000000 ] - [ 0.0000009500000000, 0.0000003000000000, -0.0002157300000000 ] - [ 0.0000005000000000, 0.0000002700000000, -0.0001904600000000 ] - [ -0.0000005000000000, 0.0000001400000000, -0.0000158400000000 ] - [ -0.0000002700000000, 0.0000001400000000, -0.0002998000000000 ] - [ -0.0000000700000000, 0.0000001500000000, 0.0000688600000000 ] - [ 0.0000001800000000, 0.0000002500000000, -0.0002927600000000 ] - [ -0.0000001900000000, -0.0000000600000000, 0.0000690100000000 ] - [ 0.0000000300000000, -0.0000000100000000, -0.0001155700000000 ] - [ -0.0000005000000000, 0.0000000900000000, 0.0001126900000000 ] - [ 0.0000001700000000, -0.0000000300000000, 0.0001769500000000 ] - [ -0.0000003500000000, 0.0000001500000000, -0.0002365100000000 ] - [ 0.0000000700000000, -0.0000000200000000, 0.0000568600000000 ] - [ 0.0000903600000000, -0.0000002200000000, 0.0002535400000000 ] - [ 0.0000001300000000, -0.0000000300000000, 0.0000055400000000 ] - [ 0.0000000300000000, 0.0000002400000000, -0.0003848700000000 ] - [ -0.0000008300000000, 0.0000001500000000, -0.0001054000000000 ] - [ -0.0000002800000000, 0.0000001500000000, -0.0002556300000000 ] - [ 0.0000002800000000, 0.0000001100000000, -0.0001826700000000 ] - [ -0.0000001700000000, 0.0000002000000000, -0.0001813900000000 ] - [ 0.0000001700000000, 0.0000000000000000, 0.0000668800000000 ]- atom: 31 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0001877200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001811600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001190000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002622700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001789700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002361900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000822900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000796600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001304300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001367000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002985100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002760500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002244400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000979900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002497800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003395200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002234900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002344500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0307708400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000642500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002713300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000066100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000631700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001844400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000140000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000678800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0018287900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001221900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001842000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004375500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0425899400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000696600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001570300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002733800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001021600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0104359600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002255200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001696900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000546800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000612800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000909300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000665400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001078000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001765000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001919700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001679000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001941900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000076900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002371900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003011500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001130700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001800300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004167700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001300700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002601300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000170300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001318100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000564000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000583100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001903800000000 ]- atom: 31 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0003114600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003151000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003783800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002338000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003168200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002587300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005780300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004166700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003653800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003941000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001971000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001408100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002705500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003967900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002456500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001571300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002727400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002619800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0298517000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004314500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000273200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002451300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003109500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000635900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002607600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003182000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015817200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001268600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000640000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001144800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0421167400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001766000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000918100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000247900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001421300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0097604300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004718700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000748500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001898200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003060600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003367900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003118500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001420900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004261900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000576500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004148500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000534500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002414300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000088800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000506300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003627100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000697000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000932200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001146500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005068100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002310800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003821100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003056600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003080000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000594400000000 ]- atom: 32 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000000400000000, 0.0000000800000000, 0.0000612900000000 ] - [ -0.0000000500000000, 0.0000000400000000, 0.0000662300000000 ] - [ 0.0000001400000000, -0.0000003900000000, 0.0001290400000000 ] - [ 0.0000002000000000, 0.0000000700000000, -0.0000141100000000 ] - [ 0.0000004500000000, -0.0000004200000000, 0.0000690400000000 ] - [ -0.0000007600000000, 0.0000000700000000, 0.0000115500000000 ] - [ 0.0109745300000000, -0.0002043100000000, 0.0005711500000000 ] - [ -0.0000751600000000, -0.0000015400000000, 0.0001657600000000 ] - [ 0.0000013700000000, -0.0000004300000000, 0.0001175900000000 ] - [ -0.0000017000000000, 0.0000000300000000, 0.0001289900000000 ] - [ 0.0000009100000000, -0.0000004100000000, -0.0000503400000000 ] - [ -0.0000294700000000, -0.0000001900000000, 0.0002130300000000 ] - [ 0.0000009300000000, -0.0000004400000000, 0.0000236800000000 ] - [ 0.0000010900000000, -0.0000004600000000, 0.0001485000000000 ] - [ 0.0000005800000000, -0.0000004400000000, -0.0000019600000000 ] - [ -0.0000008400000000, 0.0000000100000000, -0.0000909200000000 ] - [ -0.0000002200000000, 0.0000000300000000, 0.0000253600000000 ] - [ -0.0000008000000000, 0.0000000400000000, 0.0000136600000000 ] - [ 0.0000003200000000, -0.0000003900000000, 0.0003462700000000 ] - [ 0.0000002900000000, -0.0000004000000000, 0.0001841200000000 ] - [ -0.0000002200000000, 0.0000000100000000, 0.0001481100000000 ] - [ -0.0000000400000000, 0.0000001500000000, -0.0001241000000000 ] - [ 0.0000000300000000, 0.0000001900000000, -0.0001888400000000 ] - [ -0.0000002500000000, -0.0000000200000000, 0.0000623000000000 ] - [ 0.0000010300000000, 0.0000002200000000, -0.0001392600000000 ] - [ -0.0000003800000000, 0.0000001500000000, -0.0001916000000000 ] - [ 0.0000000900000000, 0.0000000500000000, 0.0001497200000000 ] - [ 0.0000001300000000, -0.0000000100000000, -0.0000012400000000 ] - [ 0.0000001700000000, -0.0000000200000000, 0.0000618800000000 ] - [ 0.0000002300000000, 0.0000000000000000, 0.0002743500000000 ] - [ 0.0000007700000000, 0.0000002300000000, -0.0000622000000000 ] - [ -0.0127696100000000, 0.0001449400000000, -0.0003022000000000 ] - [ 0.0000003600000000, -0.0000000300000000, 0.0000339700000000 ] - [ 0.0008227000000000, 0.0000521300000000, 0.0001740400000000 ] - [ 0.0000001500000000, 0.0000000300000000, -0.0000215600000000 ] - [ -0.0000003400000000, -0.0000000300000000, 0.0002469000000000 ] - [ 0.0000007900000000, 0.0000002100000000, -0.0003502100000000 ] - [ 0.0000902700000000, -0.0000002200000000, 0.0000449000000000 ] - [ -0.0000004000000000, 0.0000001200000000, -0.0000691000000000 ] - [ 0.0000000000000000, 0.0000000200000000, -0.0001850900000000 ] - [ 0.0000004700000000, 0.0000002900000000, -0.0002157500000000 ] - [ 0.0000003100000000, 0.0000002600000000, -0.0001904600000000 ] - [ -0.0000000300000000, 0.0000001300000000, -0.0000158700000000 ] - [ -0.0000007100000000, 0.0000001300000000, -0.0002998300000000 ] - [ -0.0000002400000000, 0.0000001400000000, 0.0000688300000000 ] - [ 0.0000001400000000, 0.0000002400000000, -0.0002927600000000 ] - [ -0.0000001700000000, -0.0000000600000000, 0.0000690000000000 ] - [ 0.0000003000000000, -0.0000000200000000, -0.0001156000000000 ] - [ -0.0000002600000000, 0.0000000800000000, 0.0001126800000000 ] - [ -0.0000003600000000, -0.0000000400000000, 0.0001769200000000 ] - [ -0.0000001500000000, 0.0000001400000000, -0.0002365300000000 ] - [ 0.0000002700000000, -0.0000000300000000, 0.0000568300000000 ] - [ 0.0000900900000000, 0.0000006300000000, 0.0002546400000000 ] - [ -0.0000001600000000, -0.0000000300000000, 0.0000055400000000 ] - [ 0.0000010100000000, 0.0000002300000000, -0.0003848800000000 ] - [ 0.0008945400000000, 0.0000088400000000, -0.0001186300000000 ] - [ -0.0000002000000000, 0.0000001400000000, -0.0002556500000000 ] - [ 0.0000000700000000, 0.0000001000000000, -0.0001826700000000 ] - [ -0.0000001500000000, 0.0000001900000000, -0.0001814100000000 ] - [ -0.0000021100000000, -0.0000000200000000, 0.0000669300000000 ]- atom: 32 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0001873000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001811000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001198400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002622700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001785300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002370300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0307553300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002314000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001301300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001192500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002981200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000517900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002241200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000977600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002497600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003389800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002228700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002343800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000984000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000639400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002711100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000003100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000640400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001852700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000149000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000675800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002678000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001227700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001854200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003977600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000623100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0425795200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001585100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0103393600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001016700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003700500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002262100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002074300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000542600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000622000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000912700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000664500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001088800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001767100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001922500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001686600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001933200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000085500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002357900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003010200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001121800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001811400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004164100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001290900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002609400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015685000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001315900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000563500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000580000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001903000000000 ]- atom: 32 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0003110500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003149200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003791500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002338200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003164200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002596500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0298681600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000965200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003652700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003770600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001968300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004771800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002704400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003965500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002457500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001567900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002724600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002619200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005937600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004312700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000268000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002512200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003108100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000642200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002603500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003181500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000282800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001270600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000649900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001540100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001836500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0421249900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000930300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0098552300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001423400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001207600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004718900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001153600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001902000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003059100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003372600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003126900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001425900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004256000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000575900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004147900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000530200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002419700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000081600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000511400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003632200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000702800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000945600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001143800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005067500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0018312600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003819900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003060600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003080800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000590800000000 ]- atom: 33 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0001883100000000, -0.0000020200000000, 0.0000621200000000 ] - [ 0.0000010100000000, 0.0000000000000000, 0.0000660800000000 ] - [ 0.0000013700000000, -0.0000004300000000, 0.0001288900000000 ] - [ -0.0000003600000000, 0.0000000200000000, -0.0000142600000000 ] - [ 0.0000008100000000, -0.0000004500000000, 0.0000689000000000 ] - [ 0.0000220100000000, 0.0000001300000000, 0.0000112900000000 ] - [ 0.0000011700000000, -0.0000004700000000, 0.0003301200000000 ] - [ -0.0000002500000000, 0.0000000200000000, 0.0001685700000000 ] - [ 0.0000007500000000, -0.0000004700000000, 0.0001174500000000 ] - [ -0.0000007600000000, 0.0000000000000000, 0.0001288600000000 ] - [ 0.0000011800000000, -0.0000004400000000, -0.0000505000000000 ] - [ 0.0000001400000000, 0.0000000100000000, 0.0002128000000000 ] - [ 0.0107338400000000, 0.0002052000000000, -0.0002168300000000 ] - [ 0.0000005400000000, -0.0000005100000000, 0.0001483700000000 ] - [ 0.0000013200000000, -0.0000004800000000, -0.0000021200000000 ] - [ 0.0000003200000000, -0.0000000200000000, -0.0000910700000000 ] - [ -0.0000002000000000, -0.0000000100000000, 0.0000252000000000 ] - [ -0.0000002600000000, 0.0000000000000000, 0.0000135200000000 ] - [ 0.0000012400000000, -0.0000004300000000, 0.0003461000000000 ] - [ 0.0000005700000000, -0.0000004400000000, 0.0001839800000000 ] - [ 0.0000004700000000, -0.0000000300000000, 0.0001482400000000 ] - [ 0.0000005500000000, 0.0000001000000000, -0.0001240100000000 ] - [ 0.0008236400000000, -0.0000522400000000, -0.0002120800000000 ] - [ 0.0000004400000000, -0.0000000500000000, 0.0000623700000000 ] - [ 0.0000000200000000, 0.0000001900000000, -0.0001391200000000 ] - [ -0.0000720000000000, -0.0000006600000000, -0.0001918200000000 ] - [ 0.0000005100000000, 0.0000001100000000, 0.0001498000000000 ] - [ 0.0000006400000000, -0.0000000500000000, -0.0000011600000000 ] - [ 0.0000008200000000, -0.0000000600000000, 0.0000619600000000 ] - [ 0.0000004900000000, -0.0000000400000000, 0.0002745000000000 ] - [ -0.0000003700000000, 0.0000002000000000, -0.0000620500000000 ] - [ 0.0000001800000000, 0.0000001800000000, -0.0000550800000000 ] - [ -0.0121565100000000, -0.0001591800000000, 0.0002883800000000 ] - [ 0.0000004500000000, -0.0000000600000000, 0.0001507600000000 ] - [ 0.0000000500000000, -0.0000000100000000, -0.0000214100000000 ] - [ 0.0000005000000000, -0.0000000700000000, 0.0002469700000000 ] - [ -0.0000000700000000, 0.0000001700000000, -0.0003500600000000 ] - [ 0.0000005100000000, -0.0000000300000000, 0.0000458300000000 ] - [ 0.0008909100000000, 0.0000111900000000, -0.0000609900000000 ] - [ 0.0000003700000000, -0.0000000200000000, -0.0001849500000000 ] - [ 0.0000001600000000, 0.0000002500000000, -0.0002156000000000 ] - [ -0.0000004500000000, 0.0000002200000000, -0.0001903200000000 ] - [ -0.0000697700000000, 0.0000001600000000, -0.0000156600000000 ] - [ 0.0000003600000000, 0.0000000900000000, -0.0002997500000000 ] - [ 0.0000008200000000, 0.0000001000000000, 0.0000689300000000 ] - [ 0.0000000500000000, 0.0000002000000000, -0.0002926100000000 ] - [ -0.0000032500000000, -0.0000001200000000, 0.0000691000000000 ] - [ 0.0000007500000000, -0.0000000600000000, -0.0001155100000000 ] - [ 0.0000006500000000, -0.0000001100000000, 0.0001128500000000 ] - [ -0.0000002100000000, -0.0000000800000000, 0.0001770200000000 ] - [ 0.0000011200000000, 0.0000001000000000, -0.0002364600000000 ] - [ -0.0000003300000000, -0.0000000700000000, 0.0000568900000000 ] - [ 0.0000000700000000, -0.0000000300000000, 0.0002544700000000 ] - [ 0.0000003700000000, -0.0000000800000000, 0.0000056800000000 ] - [ 0.0000000100000000, 0.0000001900000000, -0.0003847300000000 ] - [ 0.0000006400000000, 0.0000001100000000, -0.0001053400000000 ] - [ 0.0000001900000000, 0.0000001100000000, -0.0002555900000000 ] - [ -0.0000004800000000, 0.0000000600000000, -0.0001825400000000 ] - [ 0.0000011000000000, 0.0000001500000000, -0.0001813300000000 ] - [ 0.0000004500000000, -0.0000000400000000, 0.0000669200000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0000488300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001844900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001242900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002671800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001837700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002521300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000776100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000846600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001353400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001245400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003033600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000400900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0301603900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001033700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002547900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003440000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002282900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002393700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000936000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000688500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002746100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000024400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0098184000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001885100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000122400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000138000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002764600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001257000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001879300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004020200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000648200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000722500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0420575300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002779000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001049400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003739600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002234800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001731900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016608600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000587500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000882300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000647700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001590700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001728000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001950200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001662200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002020700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000122100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002340300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003038700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001096200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001826000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003814900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001330800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002579700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000206900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001285500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000548900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000552200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001940500000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0000781700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003169500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003821300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002377300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003208200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002737800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005820100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004210300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003696500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003818000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002012100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004651400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0303429100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004006600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002497100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001609700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002770800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002659700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005977600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004357400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000232500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002518900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0103786300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000656400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002639000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003710600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000215900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001285500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000655300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001488500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001870600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001805700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0424845000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000226100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001459800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001188600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004749500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000795900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0017495500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003094100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003403300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003141100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001906400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004280200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000574000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004175400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000641700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002439500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000055600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000491700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003642800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000708900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001294600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001194500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005100100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002327100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003836700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003089300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003085500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000612000000000 ]- atom: 34 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000001700000000, 0.0000000500000000, 0.0000611200000000 ] - [ 0.0000003500000000, 0.0000000100000000, 0.0000660700000000 ] - [ 0.0000011000000000, -0.0000004200000000, 0.0001288700000000 ] - [ 0.0000004700000000, 0.0000000300000000, -0.0000142800000000 ] - [ 0.0000006700000000, -0.0000004400000000, 0.0000688800000000 ] - [ -0.0000003200000000, 0.0000000500000000, 0.0000113600000000 ] - [ 0.0107329400000000, 0.0002051900000000, 0.0000897900000000 ] - [ 0.0000218700000000, 0.0000001300000000, 0.0001684500000000 ] - [ 0.0000006000000000, -0.0000004600000000, 0.0001174300000000 ] - [ -0.0000002100000000, 0.0000000000000000, 0.0001288300000000 ] - [ 0.0000002100000000, -0.0000004300000000, -0.0000505200000000 ] - [ -0.0001885400000000, -0.0000020400000000, 0.0002137400000000 ] - [ 0.0000006500000000, -0.0000004600000000, 0.0000235100000000 ] - [ 0.0000012400000000, -0.0000004900000000, 0.0001483500000000 ] - [ 0.0000006700000000, -0.0000004700000000, -0.0000021300000000 ] - [ -0.0000001900000000, -0.0000000100000000, -0.0000910900000000 ] - [ 0.0000003800000000, 0.0000000000000000, 0.0000251800000000 ] - [ 0.0000004900000000, 0.0000000100000000, 0.0000134900000000 ] - [ 0.0000013600000000, -0.0000004300000000, 0.0003460900000000 ] - [ 0.0000008600000000, -0.0000004300000000, 0.0001839600000000 ] - [ -0.0000000100000000, -0.0000000300000000, 0.0001482300000000 ] - [ -0.0000005000000000, 0.0000001100000000, -0.0001240300000000 ] - [ -0.0000001200000000, 0.0000001500000000, -0.0001887000000000 ] - [ 0.0000007000000000, -0.0000000500000000, 0.0000623500000000 ] - [ 0.0000002200000000, 0.0000002000000000, -0.0001391300000000 ] - [ 0.0000003500000000, 0.0000001200000000, -0.0001915300000000 ] - [ -0.0000720300000000, 0.0000001200000000, 0.0001499000000000 ] - [ 0.0000008500000000, -0.0000000400000000, -0.0000011700000000 ] - [ 0.0000014000000000, -0.0000000500000000, 0.0000619300000000 ] - [ -0.0000001900000000, -0.0000000300000000, 0.0002744800000000 ] - [ -0.0000022200000000, 0.0000002300000000, -0.0000620700000000 ] - [ 0.0008226800000000, -0.0000521700000000, -0.0000784600000000 ] - [ 0.0000004800000000, -0.0000000500000000, 0.0000340300000000 ] - [ -0.0121560500000000, -0.0001598500000000, 0.0004060900000000 ] - [ 0.0000004300000000, 0.0000000100000000, -0.0000214200000000 ] - [ 0.0000004600000000, -0.0000000500000000, 0.0002469500000000 ] - [ -0.0000004400000000, 0.0000001900000000, -0.0003500700000000 ] - [ 0.0000006300000000, -0.0000001600000000, 0.0000458300000000 ] - [ 0.0000005600000000, 0.0000000900000000, -0.0000689600000000 ] - [ 0.0000004000000000, -0.0000000100000000, -0.0001849500000000 ] - [ 0.0000001100000000, 0.0000002700000000, -0.0002156200000000 ] - [ -0.0000002500000000, 0.0000002400000000, -0.0001903300000000 ] - [ 0.0000006400000000, 0.0000001100000000, -0.0000158200000000 ] - [ -0.0000006400000000, 0.0000001000000000, -0.0002997900000000 ] - [ 0.0000001400000000, 0.0000001200000000, 0.0000689000000000 ] - [ 0.0000002200000000, 0.0000002100000000, -0.0002926200000000 ] - [ 0.0000005100000000, -0.0000000900000000, 0.0000691200000000 ] - [ 0.0000014300000000, -0.0000000500000000, -0.0001155400000000 ] - [ 0.0000000600000000, 0.0000000400000000, 0.0001128300000000 ] - [ 0.0000007900000000, -0.0000000600000000, 0.0001769800000000 ] - [ 0.0000001800000000, 0.0000001200000000, -0.0002364900000000 ] - [ 0.0000004900000000, -0.0000000500000000, 0.0000568700000000 ] - [ 0.0008944900000000, 0.0000111300000000, 0.0002624200000000 ] - [ 0.0000003700000000, -0.0000000700000000, 0.0000056800000000 ] - [ 0.0000001300000000, 0.0000002000000000, -0.0003847300000000 ] - [ -0.0000718700000000, -0.0000006600000000, -0.0001056600000000 ] - [ 0.0000004900000000, 0.0000001200000000, -0.0002556000000000 ] - [ -0.0000000400000000, 0.0000000700000000, -0.0001825600000000 ] - [ 0.0000002900000000, 0.0000001600000000, -0.0001813500000000 ] - [ 0.0000004200000000, -0.0000000300000000, 0.0000669000000000 ]- atom: 34 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0001924900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001854800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001243200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002671400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001840800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002414800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0304681800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000949500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001354900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001233900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003042300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002014500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002295700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001030900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002548100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003437000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002279000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002388700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000944700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000689900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002736200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000025400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000625400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001896100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000126400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000640700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003284800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001265800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001887500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004000300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000636700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0099509100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001615700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0419311100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001047900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003741500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002246200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001666800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000574700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000592700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000896300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000645900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001112200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001731100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001960800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001665000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001971200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000116700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002383900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003050000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001086000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001841600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0019775900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001322600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002588900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000723700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001284400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000545200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000547500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001944500000000 ]- atom: 34 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0003149200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003181700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003823400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002375000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003207800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002629400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0300380900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004309800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003693200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003800200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002017400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002275000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002747000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004007200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002495900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001602800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002761900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002652200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005965700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004351600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000249000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002532500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003116800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000678100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002619400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003209000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000298100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001300800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000676000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001524300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001844500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0102427800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000953100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0425916900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001448300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001173900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004727500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000718600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001927900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003082100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003381900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003139400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001441200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004284900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000606400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004163500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000561900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002443400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000101100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000479500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003660200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000725500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014189600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001168500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005081300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002853200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003843300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003072300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003106200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000624900000000 ]- atom: 35 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000005400000000, 0.0000001800000000, 0.0000613300000000 ] - [ 0.0000001400000000, 0.0000001500000000, 0.0000662800000000 ] - [ 0.0000001600000000, -0.0000003000000000, 0.0001290900000000 ] - [ 0.0109672800000000, 0.0002039500000000, 0.0002267400000000 ] - [ 0.0000000200000000, -0.0000003100000000, 0.0000691100000000 ] - [ -0.0000001800000000, 0.0000001800000000, 0.0000115900000000 ] - [ -0.0000007600000000, -0.0000003300000000, 0.0003303300000000 ] - [ -0.0000004600000000, 0.0000001600000000, 0.0001687800000000 ] - [ -0.0000283600000000, -0.0000000800000000, 0.0001177600000000 ] - [ -0.0000006600000000, 0.0000001300000000, 0.0001290500000000 ] - [ 0.0000011200000000, -0.0000002900000000, -0.0000503100000000 ] - [ -0.0000003100000000, 0.0000001500000000, 0.0002129900000000 ] - [ 0.0000009000000000, -0.0000003300000000, 0.0000237300000000 ] - [ 0.0000008900000000, -0.0000003600000000, 0.0001485700000000 ] - [ -0.0000740400000000, 0.0000012400000000, -0.0000048700000000 ] - [ 0.0000006100000000, 0.0000001100000000, -0.0000908800000000 ] - [ 0.0000000800000000, 0.0000001300000000, 0.0000254000000000 ] - [ -0.0000001900000000, 0.0000001400000000, 0.0000137100000000 ] - [ 0.0000007100000000, -0.0000002900000000, 0.0003463100000000 ] - [ 0.0000000700000000, -0.0000003000000000, 0.0001841700000000 ] - [ 0.0000014700000000, 0.0000001100000000, 0.0001481800000000 ] - [ 0.0000000900000000, 0.0000002500000000, -0.0001240800000000 ] - [ -0.0000005200000000, 0.0000002800000000, -0.0001887600000000 ] - [ 0.0000003600000000, 0.0000000800000000, 0.0000623200000000 ] - [ -0.0000002800000000, 0.0000003300000000, -0.0001391900000000 ] - [ -0.0000001400000000, 0.0000002600000000, -0.0001915700000000 ] - [ -0.0000000200000000, 0.0000002500000000, 0.0001497400000000 ] - [ -0.0000002900000000, 0.0000001000000000, -0.0000012100000000 ] - [ -0.0000001400000000, 0.0000000900000000, 0.0000618900000000 ] - [ 0.0000008800000000, 0.0000001000000000, 0.0002744200000000 ] - [ -0.0000004000000000, 0.0000003300000000, -0.0000621200000000 ] - [ -0.0000000100000000, 0.0000003300000000, -0.0000551500000000 ] - [ -0.0000002200000000, 0.0000000800000000, 0.0000339900000000 ] - [ 0.0000003300000000, 0.0000000800000000, 0.0001506900000000 ] - [ -0.0127677000000000, -0.0001504600000000, -0.0002713600000000 ] - [ 0.0000002600000000, 0.0000000700000000, 0.0002469200000000 ] - [ 0.0000896400000000, -0.0000003100000000, -0.0003498500000000 ] - [ 0.0000012100000000, 0.0000001200000000, 0.0000457700000000 ] - [ 0.0000008700000000, 0.0000002200000000, -0.0000690200000000 ] - [ 0.0000012900000000, 0.0000001300000000, -0.0001850100000000 ] - [ -0.0000002600000000, 0.0000004000000000, -0.0002156700000000 ] - [ -0.0000002600000000, 0.0000003600000000, -0.0001903800000000 ] - [ -0.0000000600000000, 0.0000002400000000, -0.0000158400000000 ] - [ 0.0008216400000000, -0.0000518900000000, -0.0002764800000000 ] - [ -0.0000000900000000, 0.0000002400000000, 0.0000688700000000 ] - [ -0.0000001000000000, 0.0000003400000000, -0.0002926800000000 ] - [ 0.0000005400000000, 0.0000000400000000, 0.0000690800000000 ] - [ 0.0008943300000000, -0.0000086000000000, -0.0001287500000000 ] - [ 0.0000005600000000, 0.0000001700000000, 0.0001127600000000 ] - [ 0.0000002300000000, 0.0000000600000000, 0.0001769500000000 ] - [ 0.0000000900000000, 0.0000002400000000, -0.0002365200000000 ] - [ 0.0000004200000000, 0.0000000700000000, 0.0000568500000000 ] - [ 0.0000014600000000, 0.0000001100000000, 0.0002544100000000 ] - [ 0.0000008700000000, 0.0000000700000000, 0.0000056200000000 ] - [ 0.0000899400000000, 0.0000005700000000, -0.0003855600000000 ] - [ -0.0000005500000000, 0.0000002500000000, -0.0001054100000000 ] - [ -0.0000023300000000, 0.0000002600000000, -0.0002555700000000 ] - [ -0.0000008000000000, 0.0000002000000000, -0.0001826100000000 ] - [ -0.0000003100000000, 0.0000002900000000, -0.0001813800000000 ] - [ 0.0000004800000000, 0.0000001900000000, 0.0000668500000000 ]- atom: 35 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0001872200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001801400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001197900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0304083200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001789600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002352900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000828500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000786200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001469300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001185800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002981700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000338500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002242300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000983200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000601300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003379200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002221200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002334700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000988500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000632600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002715800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000010300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000664000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001880800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000167000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000669300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002735500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001230600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001867300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003981700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000606500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000682000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001590500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002750200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0425503900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003712400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001879500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001706800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000557200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000618700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000933600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000675700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001086200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0098849200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001939700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001702000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001922700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015570300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002368400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003014800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001116800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001819100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003786200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001288000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002234300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000175800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001309600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000600500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000557300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001851900000000 ]- atom: 35 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0003105300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003143700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003789600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0302104000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003172700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002587700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005782000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004163800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003826300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003772600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001972500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004603700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002712800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003973600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000728000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001565700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002724600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002615700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005939600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004315800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000261600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002514000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003093700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000649100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002595500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003182000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000229800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001266000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000648000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001528700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001824600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001758000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000922400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000238700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0421468200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001204000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005101800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000759300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001915300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003068100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003359700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003112900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001424900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0103013400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000573600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004136100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000542700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0018395000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000092100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000508300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003630500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000704600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001330400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001157600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005462100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002314300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003814800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003048300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003083200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000541600000000 ]- atom: 36 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000002400000000, -0.0000000200000000, 0.0000611000000000 ] - [ -0.0000001800000000, -0.0000000600000000, 0.0000660400000000 ] - [ 0.0000008200000000, -0.0000005000000000, 0.0001288600000000 ] - [ -0.0000001400000000, -0.0000000400000000, -0.0000143100000000 ] - [ 0.0000014300000000, -0.0000005200000000, 0.0000688700000000 ] - [ 0.0000004200000000, -0.0000000300000000, 0.0000113400000000 ] - [ 0.0000006500000000, -0.0000005300000000, 0.0003300800000000 ] - [ 0.0000005200000000, -0.0000000500000000, 0.0001685200000000 ] - [ 0.0000007700000000, -0.0000005300000000, 0.0001174100000000 ] - [ -0.0001890300000000, -0.0000021400000000, 0.0001298300000000 ] - [ 0.0000009200000000, -0.0000005000000000, -0.0000505400000000 ] - [ 0.0000220100000000, 0.0000000500000000, 0.0002126500000000 ] - [ 0.0000013100000000, -0.0000005300000000, 0.0000234900000000 ] - [ 0.0000012400000000, -0.0000005600000000, 0.0001483300000000 ] - [ 0.0000003400000000, -0.0000005400000000, -0.0000021600000000 ] - [ 0.0000005900000000, -0.0000000900000000, -0.0000911100000000 ] - [ -0.0000001200000000, -0.0000000700000000, 0.0000251600000000 ] - [ 0.0000004700000000, -0.0000000600000000, 0.0000134700000000 ] - [ 0.0107367400000000, 0.0002052200000000, 0.0001056800000000 ] - [ 0.0000006900000000, -0.0000005000000000, 0.0001839300000000 ] - [ 0.0000006300000000, -0.0000000900000000, 0.0001482500000000 ] - [ -0.0000721500000000, 0.0000000400000000, -0.0001239800000000 ] - [ 0.0000000500000000, 0.0000000800000000, -0.0001887000000000 ] - [ 0.0000006700000000, -0.0000001200000000, 0.0000622800000000 ] - [ -0.0000021500000000, 0.0000001500000000, -0.0001391200000000 ] - [ 0.0000002900000000, 0.0000000600000000, -0.0001916100000000 ] - [ -0.0000719300000000, -0.0000007300000000, 0.0001494100000000 ] - [ 0.0000008900000000, -0.0000001100000000, -0.0000012500000000 ] - [ 0.0000005400000000, -0.0000001100000000, 0.0000618600000000 ] - [ 0.0008976700000000, 0.0000111100000000, 0.0002825700000000 ] - [ 0.0008230600000000, -0.0000522400000000, -0.0000854200000000 ] - [ -0.0000003600000000, 0.0000001300000000, -0.0000550700000000 ] - [ 0.0000008300000000, -0.0000001200000000, 0.0000339600000000 ] - [ 0.0000005000000000, -0.0000001200000000, 0.0001506800000000 ] - [ 0.0000004500000000, -0.0000000700000000, -0.0000214000000000 ] - [ -0.0121669000000000, -0.0001557400000000, 0.0005036000000000 ] - [ 0.0000002200000000, 0.0000001100000000, -0.0003500600000000 ] - [ 0.0000005100000000, -0.0000000800000000, 0.0000458400000000 ] - [ 0.0000001900000000, 0.0000000100000000, -0.0000689400000000 ] - [ 0.0000001100000000, -0.0000000900000000, -0.0001849400000000 ] - [ 0.0000003100000000, 0.0000002000000000, -0.0002155900000000 ] - [ 0.0000003400000000, 0.0000001600000000, -0.0001903000000000 ] - [ 0.0000004100000000, 0.0000000400000000, -0.0000158900000000 ] - [ 0.0000005900000000, 0.0000000300000000, -0.0002998400000000 ] - [ 0.0000002300000000, 0.0000000500000000, 0.0000688500000000 ] - [ -0.0000001900000000, 0.0000001400000000, -0.0002926200000000 ] - [ 0.0000002900000000, -0.0000001600000000, 0.0000691400000000 ] - [ 0.0000009400000000, -0.0000001200000000, -0.0001156000000000 ] - [ 0.0000004100000000, -0.0000000200000000, 0.0001128400000000 ] - [ 0.0000010300000000, -0.0000001300000000, 0.0001769200000000 ] - [ 0.0000002300000000, 0.0000000500000000, -0.0002365500000000 ] - [ 0.0000014800000000, -0.0000001300000000, 0.0000568000000000 ] - [ 0.0000006700000000, -0.0000002400000000, 0.0002544900000000 ] - [ -0.0000001000000000, -0.0000001400000000, 0.0000056900000000 ] - [ 0.0000002900000000, 0.0000001300000000, -0.0003847100000000 ] - [ -0.0000005700000000, 0.0000000500000000, -0.0001054400000000 ] - [ 0.0000002300000000, 0.0000000500000000, -0.0002556700000000 ] - [ 0.0000000500000000, 0.0000000000000000, -0.0001825400000000 ] - [ -0.0000004400000000, 0.0000000800000000, -0.0001814100000000 ] - [ 0.0000014700000000, -0.0000001000000000, 0.0000668400000000 ]- atom: 36 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0001921000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001856800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001244800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002669800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001828300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002415400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000771900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000844300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001354100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001185300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003034800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000507900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002296700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001030900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002557400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003437700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002277300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002388200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0304841000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000692100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002752700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000541500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000612000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001877500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000124400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000648000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003271800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001262200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001884000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0020060300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0099457500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000712900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001614200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002776200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001052400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0418498100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002233300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001729800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000574700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000586000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000885100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000632300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001113500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001732700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001950600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001658400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001974400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000115900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002393700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003035300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001092100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001834200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003761300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001324700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002578100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000207400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001281700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000539200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000554300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001935900000000 ]- atom: 36 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0003144400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003181100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003824300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002369800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003192000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002626000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005817100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004200000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003689200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001423700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002006100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004749200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002743800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004004100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002501700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001599900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002756000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002649500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0300224300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004348900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000238200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003041400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003122300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000670300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002615300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003210700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000307800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001304400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000681300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014060100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0102510000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001777400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000960300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000208800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001447900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0427114600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004735700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000776300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001921300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003083200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003386500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003146200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001452000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004289400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000605400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004164500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000559200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002448600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000103400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000486800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003661600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000727200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001367600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001162200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005087100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002344200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003852900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003071200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003108600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000622600000000 ]- atom: 37 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000000100000000, 0.0000000800000000, 0.0000612600000000 ] - [ -0.0000009100000000, 0.0000000400000000, 0.0000662100000000 ] - [ 0.0000008300000000, -0.0000004000000000, 0.0001290100000000 ] - [ -0.0000750500000000, -0.0000015300000000, -0.0000170600000000 ] - [ 0.0000000200000000, -0.0000004100000000, 0.0000690200000000 ] - [ -0.0000000200000000, 0.0000000700000000, 0.0000115100000000 ] - [ 0.0000002900000000, -0.0000004300000000, 0.0003302500000000 ] - [ -0.0000294600000000, -0.0000001800000000, 0.0001687800000000 ] - [ 0.0109728600000000, -0.0002043000000000, 0.0003584300000000 ] - [ -0.0000002900000000, 0.0000000400000000, 0.0001289800000000 ] - [ 0.0000004800000000, -0.0000004000000000, -0.0000503800000000 ] - [ -0.0000017600000000, 0.0000000500000000, 0.0002129200000000 ] - [ 0.0000004200000000, -0.0000004400000000, 0.0000236500000000 ] - [ 0.0000008900000000, -0.0000004700000000, 0.0001485000000000 ] - [ 0.0000013000000000, -0.0000004400000000, -0.0000020000000000 ] - [ 0.0000001600000000, 0.0000000200000000, -0.0000909400000000 ] - [ -0.0000009500000000, 0.0000000300000000, 0.0000253300000000 ] - [ -0.0000009000000000, 0.0000000400000000, 0.0000136400000000 ] - [ 0.0000003900000000, -0.0000003900000000, 0.0003462300000000 ] - [ 0.0000008800000000, -0.0000004100000000, 0.0001841100000000 ] - [ -0.0000000800000000, 0.0000000100000000, 0.0001480500000000 ] - [ -0.0000001800000000, 0.0000001500000000, -0.0001241100000000 ] - [ -0.0000000200000000, 0.0000001800000000, -0.0001888900000000 ] - [ 0.0000002600000000, -0.0000000200000000, 0.0000622800000000 ] - [ 0.0000004000000000, 0.0000002300000000, -0.0001393100000000 ] - [ -0.0000000700000000, 0.0000001600000000, -0.0001916000000000 ] - [ -0.0000001000000000, 0.0000001500000000, 0.0001497200000000 ] - [ 0.0000002500000000, -0.0000000100000000, -0.0000012400000000 ] - [ 0.0000002200000000, -0.0000000200000000, 0.0000618700000000 ] - [ -0.0000002300000000, 0.0000000000000000, 0.0002743100000000 ] - [ 0.0000009800000000, 0.0000002300000000, -0.0000622400000000 ] - [ 0.0000006900000000, 0.0000002200000000, -0.0000552700000000 ] - [ 0.0000000300000000, -0.0000000200000000, 0.0000339700000000 ] - [ -0.0000004000000000, -0.0000000300000000, 0.0001506700000000 ] - [ 0.0000899800000000, -0.0000002100000000, -0.0000223800000000 ] - [ 0.0000001200000000, -0.0000000300000000, 0.0002468900000000 ] - [ -0.0127614100000000, 0.0001448900000000, -0.0005958400000000 ] - [ 0.0000897800000000, 0.0000006300000000, 0.0000459300000000 ] - [ -0.0000001900000000, 0.0000001200000000, -0.0000691600000000 ] - [ 0.0000001300000000, 0.0000000200000000, -0.0001851500000000 ] - [ 0.0000003900000000, 0.0000002900000000, -0.0002158000000000 ] - [ 0.0000001000000000, 0.0000002700000000, -0.0001905100000000 ] - [ -0.0000007100000000, 0.0000001400000000, -0.0000158700000000 ] - [ 0.0008917300000000, 0.0000087800000000, -0.0003129500000000 ] - [ -0.0000002100000000, 0.0000001400000000, 0.0000688400000000 ] - [ 0.0000009600000000, 0.0000002400000000, -0.0002928100000000 ] - [ -0.0000003300000000, -0.0000000600000000, 0.0000689500000000 ] - [ -0.0000021300000000, -0.0000000300000000, -0.0001155300000000 ] - [ -0.0000005200000000, 0.0000000700000000, 0.0001126400000000 ] - [ 0.0000000600000000, -0.0000000300000000, 0.0001769300000000 ] - [ -0.0000002300000000, 0.0000001500000000, -0.0002365400000000 ] - [ -0.0000001500000000, -0.0000000300000000, 0.0000568400000000 ] - [ 0.0000001700000000, 0.0000000100000000, 0.0002542800000000 ] - [ -0.0000000900000000, -0.0000000400000000, 0.0000054900000000 ] - [ 0.0000007300000000, 0.0000002300000000, -0.0003849200000000 ] - [ 0.0000000100000000, 0.0000000600000000, -0.0001054300000000 ] - [ -0.0000007900000000, 0.0000001400000000, -0.0002556600000000 ] - [ -0.0000000300000000, 0.0000001000000000, -0.0001827300000000 ] - [ -0.0000006100000000, 0.0000001900000000, -0.0001814100000000 ] - [ 0.0008223200000000, 0.0000521400000000, 0.0000902000000000 ]- atom: 37 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0001875600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001809800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001192300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000469500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001793900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002366400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000825800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000961100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0305429000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001187100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002984300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000354100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002243800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000978000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002495600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003389100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002237100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002343800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000985600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000637800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002713800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000010800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000637900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001857600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000141000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000675200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002731000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001227300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001855700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003981700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000626300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000696900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001577100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002734600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001403000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003701700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0428673100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002082400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000545400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000615700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000906400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000659600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001077300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013675600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001921700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001683200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001941600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000076000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002365400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003006100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001128800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001803700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003782900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001296900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002605000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000123700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001327200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000559800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000583100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0102540700000000 ]- atom: 37 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0003111500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003147700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003784200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000850100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003172400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002593700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005778100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004327300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0300812700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003766000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001971200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004611500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002706300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003965400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002455500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001566800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002730600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002619200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005936000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004310900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000270100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002507900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003106300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000650300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002607400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003186100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000226500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001274000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000655100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001540500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001834800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001769400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000925300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000247100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001827400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001202500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0418223500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001141400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001899700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003060700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003373500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003126100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001419700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0020190100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000578300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004147300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000535700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002413500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000084200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000511300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003629200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000700300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001337900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001145600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005067300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002266300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003812000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003060900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003080600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0099374900000000 ]- atom: 38 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000002000000000, 0.0000001200000000, 0.0000613100000000 ] - [ -0.0000005300000000, 0.0000000800000000, 0.0000662500000000 ] - [ 0.0000000600000000, -0.0000003500000000, 0.0001290700000000 ] - [ 0.0000005500000000, 0.0000001000000000, -0.0000141000000000 ] - [ 0.0000006700000000, -0.0000003700000000, 0.0000690700000000 ] - [ 0.0000002400000000, 0.0000001200000000, 0.0000115800000000 ] - [ -0.0000284700000000, -0.0000001400000000, 0.0003304000000000 ] - [ 0.0109700000000000, 0.0002039300000000, 0.0004095600000000 ] - [ -0.0000738600000000, 0.0000011900000000, 0.0001147100000000 ] - [ -0.0000003200000000, 0.0000000800000000, 0.0001290200000000 ] - [ 0.0000000400000000, -0.0000003600000000, -0.0000503300000000 ] - [ -0.0000004700000000, 0.0000000900000000, 0.0002129700000000 ] - [ 0.0000008500000000, -0.0000003900000000, 0.0000237200000000 ] - [ 0.0000000700000000, -0.0000004200000000, 0.0001485200000000 ] - [ 0.0000011100000000, -0.0000004000000000, -0.0000019500000000 ] - [ -0.0000002000000000, 0.0000000600000000, -0.0000909000000000 ] - [ -0.0000006800000000, 0.0000000700000000, 0.0000253700000000 ] - [ 0.0000001600000000, 0.0000000900000000, 0.0000136700000000 ] - [ -0.0000008100000000, -0.0000003600000000, 0.0003462900000000 ] - [ 0.0000001000000000, -0.0000003600000000, 0.0001841500000000 ] - [ 0.0000005600000000, 0.0000000500000000, 0.0001481200000000 ] - [ -0.0000000400000000, 0.0000001900000000, -0.0001240600000000 ] - [ -0.0000008200000000, 0.0000002300000000, -0.0001888400000000 ] - [ -0.0000000300000000, 0.0000000200000000, 0.0000623400000000 ] - [ -0.0000004300000000, 0.0000002700000000, -0.0001392600000000 ] - [ 0.0000001100000000, 0.0000001900000000, -0.0001915700000000 ] - [ -0.0000005600000000, 0.0000001900000000, 0.0001497700000000 ] - [ 0.0000002100000000, 0.0000000300000000, -0.0000011900000000 ] - [ 0.0000002300000000, 0.0000000200000000, 0.0000619100000000 ] - [ 0.0000014200000000, 0.0000000400000000, 0.0002743500000000 ] - [ -0.0000000200000000, 0.0000002800000000, -0.0000622100000000 ] - [ 0.0000898400000000, -0.0000003600000000, -0.0000549200000000 ] - [ 0.0000003700000000, 0.0000000100000000, 0.0000340000000000 ] - [ 0.0000004500000000, 0.0000001200000000, 0.0001507000000000 ] - [ 0.0000012200000000, 0.0000000700000000, -0.0000215600000000 ] - [ 0.0000003100000000, 0.0000000100000000, 0.0002469300000000 ] - [ 0.0000896400000000, 0.0000005000000000, -0.0003509700000000 ] - [ -0.0127635900000000, -0.0001470000000000, -0.0002026800000000 ] - [ 0.0000005900000000, 0.0000001500000000, -0.0000691000000000 ] - [ 0.0000014900000000, 0.0000000800000000, -0.0001850900000000 ] - [ -0.0000003000000000, 0.0000003400000000, -0.0002157400000000 ] - [ -0.0000004900000000, 0.0000003000000000, -0.0001904500000000 ] - [ -0.0000001800000000, 0.0000001800000000, -0.0000158300000000 ] - [ -0.0000023300000000, 0.0000001900000000, -0.0002997200000000 ] - [ -0.0000005800000000, 0.0000001900000000, 0.0000688700000000 ] - [ -0.0000003100000000, 0.0000002800000000, -0.0002927600000000 ] - [ 0.0000006500000000, -0.0000000200000000, 0.0000690100000000 ] - [ -0.0000003200000000, 0.0000000300000000, -0.0001155600000000 ] - [ 0.0000005300000000, 0.0000001200000000, 0.0001126900000000 ] - [ 0.0000002100000000, 0.0000000100000000, 0.0001769600000000 ] - [ -0.0000001200000000, 0.0000001800000000, -0.0002365000000000 ] - [ -0.0000001800000000, 0.0000000200000000, 0.0000568600000000 ] - [ 0.0000011600000000, 0.0000000600000000, 0.0002543400000000 ] - [ 0.0000008600000000, 0.0000000100000000, 0.0000055300000000 ] - [ -0.0000001500000000, 0.0000002700000000, -0.0003848700000000 ] - [ 0.0008218300000000, -0.0000519600000000, -0.0000820300000000 ] - [ 0.0000000200000000, 0.0000001700000000, -0.0002556200000000 ] - [ -0.0000006200000000, 0.0000001400000000, -0.0001826600000000 ] - [ 0.0000000300000000, 0.0000002300000000, -0.0001813800000000 ] - [ 0.0008910400000000, -0.0000086000000000, 0.0000538000000000 ]- atom: 38 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0001868000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001805700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001200200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002617200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001788300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002359700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000644700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0305945000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001773000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001185800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002985400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000349600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002249100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000988000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002498300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003388100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002234900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002338900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000981700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000644500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002721200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000005100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000651500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001856300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000157900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000669600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002728000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001230900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001853700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003986600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000613200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001068400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001585100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002690100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001025800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003709200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001889100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0424668200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000551800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000611900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000923200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000674100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001085700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001764200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001920100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001697900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001948100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000078000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002372200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003016400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001126800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001805900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003788200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001303500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002617500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100817200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001314500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000577300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000572800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017323800000000 ]- atom: 38 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0003104600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003145100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003792200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002333900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003167600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002587100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005956100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0300305400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000487000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003765300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001974000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004607000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002713200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003976100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002456900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001566700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002730300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002614700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005940900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004317700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000259000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002508800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003096500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000644200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002593900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003186800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000235700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001273000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000648200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001531400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001826000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002151500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000928700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000295700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001431900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001200000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005113400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0422097700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001909700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003068800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003360000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003116100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001422800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004258300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000572100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004136200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000545500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002410500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000095300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000505700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003626200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000697600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001327900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001155800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005058200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0101097600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003820200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003047000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003086700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016496600000000 ]- atom: 39 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0109684200000000, 0.0002037400000000, 0.0003019500000000 ] - [ 0.0000054700000000, 0.0000005200000000, 0.0000663200000000 ] - [ 0.0000009000000000, -0.0000003500000000, 0.0001290300000000 ] - [ 0.0000003800000000, 0.0000001100000000, -0.0000141000000000 ] - [ -0.0000001800000000, -0.0000003700000000, 0.0000690500000000 ] - [ 0.0000006200000000, 0.0000001200000000, 0.0000115400000000 ] - [ 0.0000009500000000, -0.0000003900000000, 0.0003302800000000 ] - [ 0.0000002000000000, 0.0000001000000000, 0.0001687100000000 ] - [ 0.0000001900000000, -0.0000004000000000, 0.0001175900000000 ] - [ 0.0000004900000000, 0.0000000800000000, 0.0001289900000000 ] - [ 0.0000009300000000, -0.0000003600000000, -0.0000503400000000 ] - [ -0.0000002400000000, 0.0000000900000000, 0.0002129400000000 ] - [ -0.0000730800000000, 0.0000011800000000, 0.0000207400000000 ] - [ 0.0000011200000000, -0.0000004100000000, 0.0001484800000000 ] - [ 0.0000022800000000, -0.0000004000000000, -0.0000019600000000 ] - [ -0.0000001100000000, 0.0000000600000000, -0.0000909300000000 ] - [ 0.0000002800000000, 0.0000000700000000, 0.0000253500000000 ] - [ 0.0000003800000000, 0.0000000900000000, 0.0000136400000000 ] - [ 0.0000009500000000, -0.0000003500000000, 0.0003462600000000 ] - [ 0.0000013900000000, -0.0000003600000000, 0.0001841300000000 ] - [ -0.0000002600000000, 0.0000000500000000, 0.0001480300000000 ] - [ -0.0000000500000000, 0.0000001900000000, -0.0001240200000000 ] - [ 0.0000897500000000, 0.0000004600000000, -0.0001897000000000 ] - [ -0.0000003200000000, 0.0000000300000000, 0.0000623600000000 ] - [ -0.0000004300000000, 0.0000002700000000, -0.0001393500000000 ] - [ -0.0000022200000000, 0.0000002000000000, -0.0001914500000000 ] - [ -0.0000001400000000, 0.0000001900000000, 0.0001498100000000 ] - [ 0.0000003100000000, 0.0000000300000000, -0.0000011500000000 ] - [ 0.0000002100000000, 0.0000000200000000, 0.0000619500000000 ] - [ 0.0000007800000000, 0.0000000500000000, 0.0002742700000000 ] - [ -0.0000004500000000, 0.0000002800000000, -0.0000622900000000 ] - [ -0.0000007300000000, 0.0000002600000000, -0.0000553100000000 ] - [ 0.0008908300000000, -0.0000086300000000, 0.0000208900000000 ] - [ 0.0000003600000000, 0.0000000200000000, 0.0001507500000000 ] - [ 0.0000005900000000, 0.0000000800000000, -0.0000216500000000 ] - [ -0.0000002500000000, 0.0000000200000000, 0.0002469700000000 ] - [ -0.0000005400000000, 0.0000002600000000, -0.0003503000000000 ] - [ 0.0000005500000000, 0.0000000600000000, 0.0000456000000000 ] - [ -0.0127614300000000, -0.0001469700000000, -0.0003156600000000 ] - [ 0.0000009300000000, 0.0000000600000000, -0.0001851900000000 ] - [ -0.0000011000000000, 0.0000003300000000, -0.0002158300000000 ] - [ -0.0000012600000000, 0.0000003000000000, -0.0001905600000000 ] - [ 0.0009159700000000, -0.0000511900000000, 0.0000075600000000 ] - [ -0.0000004300000000, 0.0000001800000000, -0.0002997500000000 ] - [ -0.0000078600000000, 0.0000002400000000, 0.0000689000000000 ] - [ -0.0000009700000000, 0.0000002800000000, -0.0002928500000000 ] - [ -0.0000352400000000, -0.0000013200000000, 0.0000690600000000 ] - [ 0.0000004000000000, 0.0000000200000000, -0.0001155200000000 ] - [ 0.0000012600000000, 0.0000001300000000, 0.0001125900000000 ] - [ -0.0000003800000000, 0.0000000100000000, 0.0001770000000000 ] - [ 0.0000000500000000, 0.0000001900000000, -0.0002364500000000 ] - [ 0.0000003700000000, 0.0000000100000000, 0.0000569200000000 ] - [ 0.0000005200000000, 0.0000000600000000, 0.0002542500000000 ] - [ 0.0000006800000000, 0.0000000100000000, 0.0000054600000000 ] - [ -0.0000006800000000, 0.0000002700000000, -0.0003849600000000 ] - [ 0.0000001200000000, 0.0000001900000000, -0.0001053400000000 ] - [ -0.0000000500000000, 0.0000001900000000, -0.0002555700000000 ] - [ -0.0000001600000000, 0.0000001500000000, -0.0001827400000000 ] - [ -0.0000000800000000, 0.0000002300000000, -0.0001813400000000 ] - [ 0.0000000000000000, 0.0000000300000000, 0.0000669500000000 ]- atom: 39 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0304947800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001930800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001196800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002617700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001792600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002365200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000820100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000789300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001310600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001187400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002987200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000347700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000872900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000986400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002495000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003387500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002228900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002338500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000977400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000640700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002717500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000008000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000262300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001841600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000140900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000687700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002728500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001226800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001845100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004002400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000620300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000690000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017127800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002745100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001036400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003698300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002264800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001710400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0426267200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000608900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000912800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000667600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0101816600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001765200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001911600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001694100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002302500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000086200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002372500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003003500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001125700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001797700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003796300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001308100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002607000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000185200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001321300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000573800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000584300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001905100000000 ]- atom: 39 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0301427000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003262100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003785500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002333300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003173300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002595100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005787400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004163700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003664300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003770500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001976900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004608800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000494100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003970600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002454700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001568200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002728900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002616000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005946400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004317800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000246000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002486900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003527200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000611300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002634100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003159500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000253200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001253400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000621000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001492300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001857100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001789200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016943800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000260600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001462500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001230000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004735800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000790800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0421422000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003089600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003387700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003140200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100288900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004240900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000540400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004158700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000930100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002402400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000108600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000529200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003612900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000677000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001297800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001184700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005088500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002303100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003798900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003076900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003055600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000575400000000 ]- atom: 40 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000002500000000, 0.0000001300000000, 0.0000612900000000 ] - [ -0.0000003000000000, 0.0000000900000000, 0.0000662300000000 ] - [ 0.0000009400000000, -0.0000003500000000, 0.0001290300000000 ] - [ -0.0000004900000000, 0.0000001100000000, -0.0000141000000000 ] - [ 0.0000000100000000, -0.0000003700000000, 0.0000690600000000 ] - [ 0.0000004700000000, 0.0000001300000000, 0.0000115300000000 ] - [ 0.0000006500000000, -0.0000003800000000, 0.0003302800000000 ] - [ -0.0000003800000000, 0.0000001100000000, 0.0001687100000000 ] - [ -0.0000007800000000, -0.0000003900000000, 0.0001176000000000 ] - [ 0.0000000100000000, 0.0000000800000000, 0.0001290000000000 ] - [ -0.0000744600000000, 0.0000012400000000, -0.0000533600000000 ] - [ -0.0000007400000000, 0.0000000900000000, 0.0002129500000000 ] - [ -0.0000002800000000, -0.0000003900000000, 0.0000236800000000 ] - [ 0.0000008600000000, -0.0000004100000000, 0.0001485200000000 ] - [ -0.0000285800000000, -0.0000001400000000, -0.0000018700000000 ] - [ 0.0109712500000000, 0.0002039000000000, 0.0001499200000000 ] - [ -0.0000003300000000, 0.0000000800000000, 0.0000253300000000 ] - [ 0.0000005300000000, 0.0000000800000000, 0.0000136500000000 ] - [ -0.0000000400000000, -0.0000003500000000, 0.0003462600000000 ] - [ 0.0000010800000000, -0.0000003500000000, 0.0001841200000000 ] - [ 0.0000011900000000, 0.0000000600000000, 0.0001481200000000 ] - [ -0.0000003500000000, 0.0000002000000000, -0.0001241200000000 ] - [ -0.0000005600000000, 0.0000002300000000, -0.0001888300000000 ] - [ -0.0000003200000000, 0.0000000300000000, 0.0000622700000000 ] - [ -0.0000003400000000, 0.0000002800000000, -0.0001392500000000 ] - [ -0.0000001100000000, 0.0000002000000000, -0.0001916200000000 ] - [ 0.0000000200000000, 0.0000001900000000, 0.0001497000000000 ] - [ 0.0008989400000000, -0.0000087300000000, -0.0000146200000000 ] - [ 0.0000003700000000, 0.0000000300000000, 0.0000618400000000 ] - [ 0.0000008000000000, 0.0000000500000000, 0.0002743700000000 ] - [ -0.0000003400000000, 0.0000002800000000, -0.0000621800000000 ] - [ -0.0000004800000000, 0.0000002700000000, -0.0000552100000000 ] - [ 0.0000001800000000, 0.0000000200000000, 0.0000339500000000 ] - [ 0.0000001900000000, 0.0000000200000000, 0.0001506500000000 ] - [ 0.0000011400000000, 0.0000000900000000, -0.0000215400000000 ] - [ -0.0000002100000000, 0.0000000200000000, 0.0002468700000000 ] - [ -0.0000000800000000, 0.0000002600000000, -0.0003502000000000 ] - [ 0.0000014300000000, 0.0000000600000000, 0.0000457100000000 ] - [ 0.0000007000000000, 0.0000001600000000, -0.0000690700000000 ] - [ -0.0127740500000000, -0.0001472700000000, -0.0004315800000000 ] - [ -0.0000004100000000, 0.0000003500000000, -0.0002157200000000 ] - [ -0.0000001500000000, 0.0000003100000000, -0.0001904400000000 ] - [ -0.0000001500000000, 0.0000001800000000, -0.0000159000000000 ] - [ -0.0000005900000000, 0.0000001800000000, -0.0002998600000000 ] - [ 0.0000000100000000, 0.0000001900000000, 0.0000688300000000 ] - [ 0.0000902900000000, 0.0000005300000000, -0.0002935300000000 ] - [ 0.0000013600000000, -0.0000000200000000, 0.0000690000000000 ] - [ 0.0000004500000000, 0.0000001200000000, -0.0001156300000000 ] - [ 0.0000007500000000, 0.0000001200000000, 0.0001127100000000 ] - [ -0.0000003800000000, 0.0000000200000000, 0.0001769000000000 ] - [ -0.0000023700000000, 0.0000002100000000, -0.0002364900000000 ] - [ 0.0000000800000000, 0.0000000200000000, 0.0000568000000000 ] - [ 0.0000008200000000, 0.0000000600000000, 0.0002543400000000 ] - [ 0.0000009600000000, 0.0000000100000000, 0.0000055600000000 ] - [ 0.0000899300000000, -0.0000003400000000, -0.0003845500000000 ] - [ -0.0000001100000000, 0.0000002000000000, -0.0001054500000000 ] - [ 0.0008220600000000, -0.0000519400000000, -0.0002323300000000 ] - [ -0.0000005900000000, 0.0000001500000000, -0.0001826700000000 ] - [ -0.0000000100000000, 0.0000002400000000, -0.0001814300000000 ] - [ 0.0000002700000000, 0.0000000400000000, 0.0000668100000000 ]- atom: 40 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0001873700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001806200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001201300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002618800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001790500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002356800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000827600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000785200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001303800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001183300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000136900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000351300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002244700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000987700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002664900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0303302700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002225000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002336600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000979300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000638300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002707100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000007400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000663000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001871000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000178900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000668800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002739300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016817200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001876500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003974500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000601000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000676300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001588300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002742800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001031700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003711200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002270200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001697900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000539700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0427039300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000943400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000678500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001082200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001775700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001939900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001313900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001915300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000021900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002367200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003002800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001121600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001813500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003782500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001269000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002226400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000177900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0099302800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000608300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000552300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001904900000000 ]- atom: 40 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0003104900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003146500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003790700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002336100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003172100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002589500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005781200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004161800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003658100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003767200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001240000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004613100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002713400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003974600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002625300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0302861600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002725500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002616200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005944800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004317900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000263000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002508000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003100800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000637900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002593800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003183100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000226600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0017358100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000654100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001526900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001825900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001756400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000920100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000245400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001432900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001206800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004709500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000756600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001902700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0419907600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003355200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003113200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001421700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004255300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000573500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004542900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000542400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002362400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000096800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000517400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003622800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000699500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001327100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001148700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005450500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002317700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0102588100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003047800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003084200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000595800000000 ]- atom: 41 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000000500000000, 0.0000000800000000, 0.0000613400000000 ] - [ -0.0000003900000000, 0.0000000400000000, 0.0000662800000000 ] - [ 0.0109701700000000, -0.0002040300000000, 0.0003697600000000 ] - [ -0.0000001200000000, 0.0000000600000000, -0.0000140600000000 ] - [ 0.0000012100000000, -0.0000004100000000, 0.0000691000000000 ] - [ 0.0000004100000000, 0.0000000700000000, 0.0000115800000000 ] - [ 0.0000008400000000, -0.0000004300000000, 0.0003303300000000 ] - [ -0.0000009600000000, 0.0000000600000000, 0.0001687800000000 ] - [ 0.0000002300000000, -0.0000004300000000, 0.0001176600000000 ] - [ 0.0000000700000000, 0.0000000400000000, 0.0001290600000000 ] - [ 0.0000006900000000, -0.0000004000000000, -0.0000503000000000 ] - [ -0.0000009600000000, 0.0000000500000000, 0.0002130000000000 ] - [ 0.0000009600000000, -0.0000004400000000, 0.0000237300000000 ] - [ 0.0000061300000000, -0.0000008900000000, 0.0001486600000000 ] - [ 0.0000003800000000, -0.0000004400000000, -0.0000019200000000 ] - [ -0.0000009400000000, 0.0000000100000000, -0.0000908700000000 ] - [ -0.0000740000000000, -0.0000015600000000, 0.0000224500000000 ] - [ -0.0000010200000000, 0.0000000400000000, 0.0000137100000000 ] - [ 0.0000004400000000, -0.0000003900000000, 0.0003463100000000 ] - [ -0.0000000300000000, -0.0000004000000000, 0.0001841700000000 ] - [ -0.0000001500000000, 0.0000000100000000, 0.0001481800000000 ] - [ -0.0000008100000000, 0.0000001400000000, -0.0001240800000000 ] - [ -0.0000008900000000, 0.0000001800000000, -0.0001887500000000 ] - [ -0.0000077900000000, -0.0000000800000000, 0.0000623000000000 ] - [ 0.0000006900000000, 0.0000002300000000, -0.0001391900000000 ] - [ -0.0000008800000000, 0.0000001500000000, -0.0001915800000000 ] - [ -0.0000002800000000, 0.0000001500000000, 0.0001497400000000 ] - [ -0.0000001900000000, -0.0000000100000000, -0.0000012100000000 ] - [ -0.0000021500000000, -0.0000000300000000, 0.0000619500000000 ] - [ 0.0000000200000000, 0.0000000000000000, 0.0002744200000000 ] - [ 0.0000009300000000, 0.0000002300000000, -0.0000621200000000 ] - [ 0.0000000200000000, 0.0000002300000000, -0.0000551400000000 ] - [ 0.0000001700000000, -0.0000000200000000, 0.0000339900000000 ] - [ -0.0000000100000000, -0.0000000200000000, 0.0001506900000000 ] - [ -0.0000002300000000, 0.0000000300000000, -0.0000214800000000 ] - [ 0.0000001700000000, -0.0000000200000000, 0.0002469100000000 ] - [ 0.0000001700000000, 0.0000002100000000, -0.0003501400000000 ] - [ -0.0000003200000000, 0.0000000100000000, 0.0000457600000000 ] - [ -0.0000007500000000, 0.0000001200000000, -0.0000690100000000 ] - [ -0.0000001000000000, 0.0000000200000000, -0.0001850200000000 ] - [ -0.0127488800000000, 0.0001449300000000, -0.0004651900000000 ] - [ 0.0000003600000000, 0.0000002600000000, -0.0001903800000000 ] - [ -0.0000002300000000, 0.0000001400000000, -0.0000158600000000 ] - [ -0.0000003500000000, 0.0000001300000000, -0.0002998200000000 ] - [ -0.0000002400000000, 0.0000001500000000, 0.0000688700000000 ] - [ 0.0000003100000000, 0.0000002400000000, -0.0002926800000000 ] - [ -0.0000003200000000, -0.0000000600000000, 0.0000690700000000 ] - [ 0.0000001900000000, -0.0000000200000000, -0.0001155800000000 ] - [ -0.0000011200000000, 0.0000000800000000, 0.0001127600000000 ] - [ 0.0000001700000000, -0.0000000300000000, 0.0001769400000000 ] - [ -0.0000006400000000, 0.0000001400000000, -0.0002365200000000 ] - [ 0.0009162900000000, 0.0000513400000000, 0.0000801700000000 ] - [ -0.0000001500000000, 0.0000000100000000, 0.0002544000000000 ] - [ 0.0000899300000000, -0.0000002700000000, 0.0000048400000000 ] - [ 0.0000004500000000, 0.0000002300000000, -0.0003847900000000 ] - [ -0.0000002900000000, 0.0000001500000000, -0.0001054100000000 ] - [ -0.0000001000000000, 0.0000001500000000, -0.0002556400000000 ] - [ -0.0000358500000000, 0.0000014200000000, -0.0001824800000000 ] - [ 0.0008902500000000, 0.0000088400000000, -0.0001945600000000 ] - [ -0.0000004700000000, 0.0000000000000000, 0.0000668600000000 ]- atom: 41 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0001870000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001806200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0305636600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002625300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001785900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002367100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000825000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000796500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001302500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001187400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002984400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000352900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002246200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001102800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002499200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003393300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000873000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002347700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000982100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000646600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002716800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000017700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000642700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001841600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000141800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000688900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002728400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001225800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001844000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003984800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000628300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000698600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001576800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002738800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001020200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003702700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002252700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001698300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000549000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000614600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0427700900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000657100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001073400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001763100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001916600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001677500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001937800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000085100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002369700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003011100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001132700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0102548500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003782600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001686900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002607700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000182700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001315000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000208800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014968100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001901900000000 ]- atom: 41 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0003108500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003147000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0300769200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002342200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003165400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002594400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005780900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004168700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003654600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003768500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001973000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004612900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002710800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004092300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002459800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001572700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000470200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002623500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005940700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004322000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000263400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002492700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003106200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000623400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002612400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003165600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000237800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001265900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000633400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001531200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001842500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001776300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000916700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000251800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001426700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001210500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004729000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000757700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001906100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003065600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0419833800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003133500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001409600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004256000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000565400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004156100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000536700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002415500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000093600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000512800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003618400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0099582500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001331900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001561700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005068100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002315000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003817600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003421900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0019115200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000584800000000 ]- atom: 42 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000013500000000, 0.0000000900000000, 0.0000594200000000 ] - [ -0.0000755200000000, -0.0000015600000000, 0.0000632700000000 ] - [ 0.0000009300000000, -0.0000003900000000, 0.0001290600000000 ] - [ -0.0000003100000000, 0.0000000700000000, -0.0000141000000000 ] - [ 0.0000002100000000, -0.0000004100000000, 0.0000690700000000 ] - [ -0.0000001600000000, 0.0000000800000000, 0.0000115500000000 ] - [ 0.0000007600000000, -0.0000004300000000, 0.0003302800000000 ] - [ -0.0000010200000000, 0.0000000600000000, 0.0001687400000000 ] - [ 0.0000000500000000, -0.0000004300000000, 0.0001176100000000 ] - [ -0.0000000800000000, 0.0000000400000000, 0.0001290100000000 ] - [ 0.0000002300000000, -0.0000003900000000, -0.0000503400000000 ] - [ -0.0000009400000000, 0.0000000500000000, 0.0002129700000000 ] - [ 0.0000004000000000, -0.0000004300000000, 0.0000237000000000 ] - [ 0.0000009000000000, -0.0000004600000000, 0.0001485400000000 ] - [ 0.0000004100000000, -0.0000004400000000, -0.0000019600000000 ] - [ -0.0000017600000000, 0.0000000200000000, -0.0000909100000000 ] - [ -0.0000008600000000, 0.0000000300000000, 0.0000253800000000 ] - [ -0.0000295500000000, -0.0000001900000000, 0.0000137800000000 ] - [ 0.0000003900000000, -0.0000003900000000, 0.0003462700000000 ] - [ 0.0109777600000000, -0.0002043000000000, 0.0004250100000000 ] - [ 0.0000902600000000, 0.0000006400000000, 0.0001484600000000 ] - [ -0.0000003100000000, 0.0000001500000000, -0.0001241300000000 ] - [ -0.0000007200000000, 0.0000001900000000, -0.0001888000000000 ] - [ 0.0000000400000000, -0.0000000100000000, 0.0000622600000000 ] - [ 0.0000002200000000, 0.0000002400000000, -0.0001392200000000 ] - [ -0.0000000800000000, 0.0000001600000000, -0.0001916200000000 ] - [ -0.0000000300000000, 0.0000001500000000, 0.0001497000000000 ] - [ -0.0000003900000000, -0.0000000100000000, -0.0000012600000000 ] - [ -0.0000004300000000, -0.0000000100000000, 0.0000618400000000 ] - [ -0.0000002100000000, 0.0000000000000000, 0.0002744000000000 ] - [ 0.0000005200000000, 0.0000002400000000, -0.0000621400000000 ] - [ 0.0000003500000000, 0.0000002300000000, -0.0000551700000000 ] - [ -0.0000004200000000, -0.0000000200000000, 0.0000339400000000 ] - [ -0.0000001800000000, -0.0000000200000000, 0.0001506500000000 ] - [ -0.0000002300000000, 0.0000000400000000, -0.0000215000000000 ] - [ 0.0000002000000000, -0.0000000200000000, 0.0002468700000000 ] - [ 0.0000003600000000, 0.0000002200000000, -0.0003501600000000 ] - [ -0.0000000900000000, 0.0000000200000000, 0.0000457400000000 ] - [ -0.0000008400000000, 0.0000001200000000, -0.0000690400000000 ] - [ 0.0000002100000000, 0.0000000200000000, -0.0001850400000000 ] - [ 0.0000000900000000, 0.0000003000000000, -0.0002156900000000 ] - [ -0.0127735000000000, 0.0001445500000000, -0.0004361300000000 ] - [ 0.0000012800000000, 0.0000001200000000, -0.0000158600000000 ] - [ -0.0000002000000000, 0.0000001400000000, -0.0002998600000000 ] - [ 0.0009007300000000, 0.0000089100000000, 0.0000554600000000 ] - [ 0.0000006800000000, 0.0000002400000000, -0.0002927000000000 ] - [ 0.0000876400000000, -0.0000003000000000, 0.0000682700000000 ] - [ 0.0000001300000000, -0.0000000100000000, -0.0001156200000000 ] - [ -0.0000009300000000, 0.0000000800000000, 0.0001127400000000 ] - [ 0.0008228400000000, 0.0000521300000000, 0.0002002700000000 ] - [ 0.0000000200000000, 0.0000000600000000, -0.0002365800000000 ] - [ 0.0000000300000000, -0.0000000200000000, 0.0000568000000000 ] - [ -0.0000001200000000, 0.0000000100000000, 0.0002543800000000 ] - [ -0.0000003000000000, -0.0000000300000000, 0.0000055900000000 ] - [ 0.0000009300000000, 0.0000002400000000, -0.0003848100000000 ] - [ -0.0000006300000000, 0.0000001500000000, -0.0001054500000000 ] - [ -0.0000001500000000, 0.0000001600000000, -0.0002556900000000 ] - [ 0.0000001000000000, 0.0000001100000000, -0.0001826300000000 ] - [ -0.0000002500000000, 0.0000001900000000, -0.0001814400000000 ] - [ 0.0000001900000000, 0.0000000100000000, 0.0000668100000000 ]- atom: 42 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0001883000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001303900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001190300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002621400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001788200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002367800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000823800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000799900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001309400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001193200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002985400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000354100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002241500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000978300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002496700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003392100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002237000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002517900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000982900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0306100200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003102100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000009700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000643000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001850300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000138400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000680500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002734200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001220800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001845900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003981900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000622600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000699700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001567400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002741100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001020100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003705700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002254400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001696100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000547800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000616200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000903700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0427249400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001097200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001765200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017517100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001682500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002305400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000081100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002364300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0103676800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001183000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001795000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003782500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001301800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002605800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000177100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001317100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000567700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000580800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001908900000000 ]- atom: 42 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0003082500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000053200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003784700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002336100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003166400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002593100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005779400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004169000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003658800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003770200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001970500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004610500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002702700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003966600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002455000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001568100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002728600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002790500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005938200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0300161900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000121800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002509100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003097700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000644500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002606400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003181100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000224600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001267900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000646600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001543900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001828900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001770400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000916300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000241300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001420300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001198400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004720200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000748300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001900600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003058000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003372100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0419984600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001439100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004261000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016669000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004144300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000916900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002418200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000079700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0098300800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003575100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000693300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001340600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001145500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005064000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002317100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003821500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003049500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003084900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000599100000000 ]- atom: 43 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0109148500000000, -0.0002029000000000, -0.0001794200000000 ] - [ -0.0002750600000000, -0.0000001100000000, 0.0000688000000000 ] - [ 0.0000007400000000, -0.0000004300000000, 0.0001286200000000 ] - [ 0.0000005200000000, 0.0000000200000000, -0.0000145300000000 ] - [ 0.0000000900000000, -0.0000004500000000, 0.0000686300000000 ] - [ -0.0000001600000000, 0.0000000400000000, 0.0000111100000000 ] - [ 0.0000006600000000, -0.0000004700000000, 0.0003298600000000 ] - [ -0.0000002200000000, 0.0000000200000000, 0.0001683000000000 ] - [ 0.0000006300000000, -0.0000004700000000, 0.0001171800000000 ] - [ 0.0000004200000000, 0.0000000000000000, 0.0001285800000000 ] - [ 0.0000005600000000, -0.0000004400000000, -0.0000507700000000 ] - [ 0.0000002500000000, 0.0000000100000000, 0.0002125300000000 ] - [ 0.0000222300000000, -0.0000005700000000, 0.0000231900000000 ] - [ 0.0000013500000000, -0.0000005000000000, 0.0001481000000000 ] - [ 0.0000011500000000, -0.0000004700000000, -0.0000023900000000 ] - [ 0.0000003200000000, -0.0000000200000000, -0.0000913300000000 ] - [ -0.0000000800000000, -0.0000000100000000, 0.0000249300000000 ] - [ -0.0000001800000000, 0.0000000000000000, 0.0000132400000000 ] - [ 0.0000009000000000, -0.0000004200000000, 0.0003458400000000 ] - [ 0.0000003800000000, -0.0000004500000000, 0.0001837100000000 ] - [ -0.0000001200000000, -0.0000000300000000, 0.0001483600000000 ] - [ 0.0000002200000000, 0.0000001100000000, -0.0001239200000000 ] - [ 0.0000009700000000, 0.0000002900000000, -0.0001885700000000 ] - [ -0.0000003300000000, -0.0000000600000000, 0.0000624600000000 ] - [ 0.0000001900000000, 0.0000001900000000, -0.0001390100000000 ] - [ 0.0000001100000000, 0.0000001200000000, -0.0001914100000000 ] - [ 0.0000001700000000, 0.0000001100000000, 0.0001499000000000 ] - [ 0.0000014200000000, -0.0000000500000000, -0.0000010500000000 ] - [ 0.0000008200000000, -0.0000000500000000, 0.0000620600000000 ] - [ 0.0000000000000000, -0.0000000400000000, 0.0002746000000000 ] - [ -0.0000003000000000, 0.0000002000000000, -0.0000619500000000 ] - [ 0.0000002200000000, 0.0000001900000000, -0.0000549700000000 ] - [ -0.0000692200000000, 0.0000007600000000, 0.0000339700000000 ] - [ 0.0000009500000000, -0.0000000600000000, 0.0001508600000000 ] - [ 0.0000004000000000, -0.0000000100000000, -0.0000213000000000 ] - [ 0.0000008000000000, -0.0000000600000000, 0.0002470700000000 ] - [ -0.0000002800000000, 0.0000001800000000, -0.0003499600000000 ] - [ 0.0000003200000000, -0.0000000300000000, 0.0000459500000000 ] - [ 0.0009165100000000, 0.0000513100000000, -0.0000924600000000 ] - [ 0.0000004100000000, -0.0000000200000000, -0.0001848400000000 ] - [ 0.0000001300000000, 0.0000002600000000, -0.0002154900000000 ] - [ 0.0000015100000000, 0.0000002600000000, -0.0001902500000000 ] - [ -0.0126906000000000, 0.0001469500000000, 0.0002329900000000 ] - [ 0.0000004300000000, 0.0000000900000000, -0.0002996500000000 ] - [ -0.0000444400000000, 0.0000005500000000, 0.0000696800000000 ] - [ 0.0000001700000000, 0.0000002000000000, -0.0002925100000000 ] - [ 0.0012057500000000, 0.0000057700000000, 0.0000815500000000 ] - [ 0.0000005400000000, -0.0000000500000000, -0.0001154200000000 ] - [ -0.0000000500000000, 0.0000000300000000, 0.0001129500000000 ] - [ 0.0000004300000000, -0.0000000700000000, 0.0001771100000000 ] - [ -0.0000004800000000, 0.0000001000000000, -0.0002363500000000 ] - [ 0.0000014000000000, -0.0000000700000000, 0.0000570100000000 ] - [ 0.0000005700000000, -0.0000000200000000, 0.0002545800000000 ] - [ 0.0000004200000000, -0.0000000700000000, 0.0000057900000000 ] - [ 0.0000000200000000, 0.0000001900000000, -0.0003846100000000 ] - [ 0.0000001500000000, 0.0000001100000000, -0.0001052400000000 ] - [ 0.0000002900000000, 0.0000001100000000, -0.0002554800000000 ] - [ 0.0000000100000000, 0.0000000600000000, -0.0001824300000000 ] - [ 0.0000005100000000, 0.0000001500000000, -0.0001812200000000 ] - [ 0.0000006500000000, -0.0000000400000000, 0.0000670300000000 ]- atom: 43 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0302563400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000400500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001243000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002670900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001847000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002417700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000772600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000841800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001355300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001236700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003037700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000397900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002418700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001032500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002548200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003438500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002280500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002384900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000932700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000696500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002738900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000026200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000677100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001875300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000116100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000645600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002765000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001257100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001882300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004014000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000651700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000724600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002078600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002766100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001056300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003735800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002236000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001728400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0099459000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000584000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000887100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000619600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0421991400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001724700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002354700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001659700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0018605600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000113500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002388500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003038000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001101400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001832200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003820900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001329000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002584800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000213200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001291200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000540500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000554600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001937600000000 ]- atom: 43 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0303607200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000973500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003820300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002375300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003215300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002637700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005822200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004204000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003696800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003807700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002014300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004646300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002869000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004005500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002496400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001606800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002768100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002651500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005979700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004359700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000237800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002516900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003072800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000642900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002650300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003201400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000220900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001283100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000652200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001490800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001877900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001812200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001404900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000242900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001470400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001196600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004752000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000796300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0102670000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003101100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003407900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003173800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0425236300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004279900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000975900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004179400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016713000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002428100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000111500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000497600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003636900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000703600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001284700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001197700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005098300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002329000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003827300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003098900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003079100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000605500000000 ]- atom: 44 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000005300000000, -0.0000000300000000, 0.0000611300000000 ] - [ -0.0000005600000000, -0.0000000700000000, 0.0000660700000000 ] - [ 0.0000007900000000, -0.0000005000000000, 0.0001288800000000 ] - [ 0.0107262000000000, -0.0002056100000000, -0.0002545500000000 ] - [ 0.0000013900000000, -0.0000005200000000, 0.0000689000000000 ] - [ 0.0000004500000000, -0.0000000400000000, 0.0000113700000000 ] - [ 0.0000007300000000, -0.0000005400000000, 0.0003301200000000 ] - [ 0.0000005800000000, -0.0000000400000000, 0.0001685700000000 ] - [ -0.0001871200000000, 0.0000015100000000, 0.0001183700000000 ] - [ 0.0000003000000000, -0.0000000800000000, 0.0001288400000000 ] - [ 0.0000014000000000, -0.0000005000000000, -0.0000505200000000 ] - [ -0.0000000800000000, -0.0000000600000000, 0.0002128000000000 ] - [ 0.0000010400000000, -0.0000005400000000, 0.0000235200000000 ] - [ 0.0000006700000000, -0.0000005700000000, 0.0001483700000000 ] - [ 0.0000228600000000, -0.0000006500000000, -0.0000022300000000 ] - [ -0.0000001700000000, -0.0000000900000000, -0.0000910800000000 ] - [ -0.0000002100000000, -0.0000000800000000, 0.0000251900000000 ] - [ -0.0000001000000000, -0.0000000700000000, 0.0000135000000000 ] - [ 0.0000013000000000, -0.0000005000000000, 0.0003461000000000 ] - [ 0.0000007200000000, -0.0000005100000000, 0.0001839600000000 ] - [ 0.0000006000000000, -0.0000001000000000, 0.0001482400000000 ] - [ 0.0000003100000000, 0.0000000400000000, -0.0001240300000000 ] - [ -0.0000002400000000, 0.0000000800000000, -0.0001887000000000 ] - [ 0.0000010300000000, -0.0000001300000000, 0.0000623700000000 ] - [ 0.0000000600000000, 0.0000001200000000, -0.0001391300000000 ] - [ 0.0000002500000000, 0.0000000500000000, -0.0001915300000000 ] - [ 0.0000012000000000, 0.0000000400000000, 0.0001497900000000 ] - [ -0.0000002200000000, -0.0000001200000000, -0.0000011700000000 ] - [ 0.0000008000000000, -0.0000001200000000, 0.0000619500000000 ] - [ 0.0000005200000000, -0.0000001100000000, 0.0002744800000000 ] - [ 0.0000001300000000, 0.0000001300000000, -0.0000620600000000 ] - [ -0.0000004400000000, 0.0000001200000000, -0.0000550900000000 ] - [ 0.0000009200000000, -0.0000001300000000, 0.0000340400000000 ] - [ -0.0000001300000000, -0.0000001300000000, 0.0001507600000000 ] - [ 0.0008222700000000, 0.0000522700000000, -0.0000447500000000 ] - [ 0.0000007000000000, -0.0000001400000000, 0.0002469600000000 ] - [ 0.0008919300000000, -0.0000110000000000, -0.0003421800000000 ] - [ -0.0000017500000000, -0.0000001200000000, 0.0000458200000000 ] - [ 0.0000001400000000, 0.0000000100000000, -0.0000689600000000 ] - [ 0.0000000500000000, -0.0000001000000000, -0.0001849500000000 ] - [ 0.0000000300000000, 0.0000001900000000, -0.0002156100000000 ] - [ 0.0000001200000000, 0.0000001500000000, -0.0001903100000000 ] - [ 0.0000002700000000, 0.0000000300000000, -0.0000158100000000 ] - [ -0.0121531300000000, 0.0001679800000000, -0.0000450200000000 ] - [ 0.0000006200000000, 0.0000000400000000, 0.0000689300000000 ] - [ 0.0000001600000000, 0.0000001300000000, -0.0002926100000000 ] - [ 0.0000006200000000, -0.0000001700000000, 0.0000691400000000 ] - [ -0.0000713800000000, 0.0000006600000000, -0.0001158100000000 ] - [ 0.0000006400000000, -0.0000000300000000, 0.0001128300000000 ] - [ 0.0000009100000000, -0.0000001400000000, 0.0001770100000000 ] - [ 0.0000012000000000, 0.0000000300000000, -0.0002364700000000 ] - [ 0.0000005300000000, -0.0000001400000000, 0.0000569000000000 ] - [ 0.0000006500000000, -0.0000000900000000, 0.0002544700000000 ] - [ 0.0000000300000000, -0.0000001500000000, 0.0000056800000000 ] - [ 0.0000003300000000, 0.0000002700000000, -0.0003847100000000 ] - [ 0.0000002400000000, 0.0000000400000000, -0.0001053500000000 ] - [ 0.0000002100000000, 0.0000000500000000, -0.0002555800000000 ] - [ 0.0000001600000000, -0.0000000100000000, -0.0001825400000000 ] - [ 0.0000004200000000, 0.0000000800000000, -0.0001813300000000 ] - [ -0.0000714900000000, -0.0000000900000000, 0.0000670200000000 ]- atom: 44 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0001917100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001864600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001242300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0301219200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001836800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002409800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000779500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000830000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001061500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001236900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003034200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000400400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002297100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001034900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002653500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003439600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002281300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002389500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000934700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000688400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002747700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000025200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000616000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001878800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000115600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000641900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002761100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001254300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001891800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004013400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000651900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000712500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001612700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002770200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0099810000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003732300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013682600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001724400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000576500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000588200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000886900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000638700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001117600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0423801900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001953100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001657300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001976800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000621400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002400500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003039300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001097500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001838900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003816800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001328100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002634300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000213200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001284200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000534900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000545800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002453400000000 ]- atom: 44 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0003141200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003190900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003822600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0303808600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003203200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002624800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005812400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004189800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001320400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003803200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002008500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004645800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002747100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004010100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002600200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001604600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002763300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002652400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005974300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004349500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000245500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002537800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003120300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000662100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002626000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003213800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000202300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001297100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000684300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001515400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001853100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001776800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000954700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000217600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0102054200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001178200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0020185800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000771200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001921400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003078000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003385000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003138300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001456100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0421402100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000602300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004163300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000564300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002953200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000112000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000482600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003656200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000730100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001311200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001170400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005028400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002348400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003851900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003080800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003109700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001123400000000 ]- atom: 45 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000077800000000, -0.0000004100000000, 0.0000609800000000 ] - [ 0.0107350700000000, -0.0002057900000000, -0.0001743800000000 ] - [ 0.0000007400000000, -0.0000004500000000, 0.0001288500000000 ] - [ 0.0000002400000000, 0.0000000000000000, -0.0000143000000000 ] - [ 0.0000013700000000, -0.0000004600000000, 0.0000688400000000 ] - [ 0.0000005400000000, 0.0000000200000000, 0.0000113500000000 ] - [ 0.0000006900000000, -0.0000004900000000, 0.0003300800000000 ] - [ -0.0000003000000000, 0.0000000000000000, 0.0001685100000000 ] - [ 0.0000014000000000, -0.0000004900000000, 0.0001174000000000 ] - [ 0.0000000700000000, -0.0000000200000000, 0.0001288000000000 ] - [ 0.0000006500000000, -0.0000004600000000, -0.0000505400000000 ] - [ -0.0000001900000000, -0.0000000100000000, 0.0002127400000000 ] - [ 0.0000002900000000, -0.0000004900000000, 0.0000234900000000 ] - [ 0.0000006300000000, -0.0000005200000000, 0.0001483000000000 ] - [ 0.0000013000000000, -0.0000005000000000, -0.0000021600000000 ] - [ -0.0000000900000000, -0.0000000400000000, -0.0000911100000000 ] - [ -0.0000005500000000, -0.0000000200000000, 0.0000251600000000 ] - [ 0.0000005700000000, 0.0000000000000000, 0.0000134600000000 ] - [ 0.0000012800000000, -0.0000004500000000, 0.0003460800000000 ] - [ -0.0001891600000000, 0.0000016200000000, 0.0001849500000000 ] - [ -0.0000018100000000, -0.0000000800000000, 0.0001482000000000 ] - [ 0.0000005500000000, 0.0000000900000000, -0.0001240700000000 ] - [ -0.0000006500000000, 0.0000001300000000, -0.0001887300000000 ] - [ 0.0000014400000000, -0.0000000800000000, 0.0000623200000000 ] - [ -0.0000003000000000, 0.0000001800000000, -0.0001391500000000 ] - [ -0.0000006000000000, 0.0000000900000000, -0.0001915900000000 ] - [ 0.0000007000000000, 0.0000000900000000, 0.0001497700000000 ] - [ -0.0000001400000000, -0.0000000700000000, -0.0000012000000000 ] - [ 0.0000005300000000, -0.0000000700000000, 0.0000618900000000 ] - [ 0.0000001200000000, -0.0000000600000000, 0.0002744500000000 ] - [ 0.0000002700000000, 0.0000001800000000, -0.0000621000000000 ] - [ -0.0000000500000000, 0.0000001700000000, -0.0000551100000000 ] - [ 0.0000011500000000, -0.0000000900000000, 0.0000340000000000 ] - [ 0.0000004900000000, -0.0000000700000000, 0.0001507000000000 ] - [ 0.0000004900000000, -0.0000000200000000, -0.0000214600000000 ] - [ 0.0000004900000000, -0.0000000800000000, 0.0002469200000000 ] - [ -0.0000000100000000, 0.0000001600000000, -0.0003501000000000 ] - [ 0.0000000000000000, -0.0000000500000000, 0.0000458000000000 ] - [ -0.0000073300000000, 0.0000000200000000, -0.0000689700000000 ] - [ 0.0000006500000000, -0.0000000300000000, -0.0001849800000000 ] - [ 0.0000000800000000, 0.0000002400000000, -0.0002156200000000 ] - [ 0.0009009300000000, -0.0000110400000000, -0.0001822400000000 ] - [ -0.0000442100000000, 0.0000013800000000, -0.0000161100000000 ] - [ 0.0000002500000000, 0.0000000700000000, -0.0002998100000000 ] - [ -0.0121648500000000, 0.0001651200000000, 0.0003258700000000 ] - [ -0.0000004800000000, 0.0000001900000000, -0.0002926600000000 ] - [ 0.0008156500000000, 0.0000523800000000, 0.0000455800000000 ] - [ 0.0000006700000000, -0.0000000700000000, -0.0001155800000000 ] - [ 0.0000005400000000, 0.0000000200000000, 0.0001128000000000 ] - [ -0.0000721300000000, -0.0000000700000000, 0.0001770800000000 ] - [ 0.0000002200000000, 0.0000000900000000, -0.0002365000000000 ] - [ 0.0000008500000000, -0.0000000900000000, 0.0000568500000000 ] - [ 0.0000006300000000, -0.0000000400000000, 0.0002544400000000 ] - [ 0.0000006200000000, -0.0000000900000000, 0.0000056600000000 ] - [ 0.0000000600000000, 0.0000001800000000, -0.0003847600000000 ] - [ 0.0000003700000000, 0.0000000900000000, -0.0001053900000000 ] - [ 0.0000011300000000, 0.0000000900000000, -0.0002556300000000 ] - [ 0.0000000000000000, 0.0000000500000000, -0.0001825600000000 ] - [ 0.0000005700000000, 0.0000001300000000, -0.0001813900000000 ] - [ 0.0000007600000000, -0.0000000600000000, 0.0000668900000000 ]- atom: 45 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0002022800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0301982500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001235600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002665100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001831100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002409700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000779200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000839700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001347700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001233400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003024000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000394500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002291500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001027800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002543000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003437200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002285100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002373800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000939600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001727600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002735900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000022200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000626500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001876600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000125700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000657600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002752200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001253600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001883100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004013600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000651400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000713100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001603400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002772900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001045600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003735600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002234600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001721200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000563300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000588300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000889800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015433000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001507400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001732500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0420150300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001673700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100815700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000108300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002393100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003556800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001097300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001826600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003816500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001330600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002586400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000211000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001290000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000545700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000552800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001941700000000 ]- atom: 45 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0003244800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0302943800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003814800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002366500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003195800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002622500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005811400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004197000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003684000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003797700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001997600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004637400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002740800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004001100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002488600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001600600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002765800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002634800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005967900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001977100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000252400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002536600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003111300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000665700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002616300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003200200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000211000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001294300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000678300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001514900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001854400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001780800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000948000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000214000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001442800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001173300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004736800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000769800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001912600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003083200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003384600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0018747500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001838300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004289100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0425203500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004151800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0101259800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002440800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000105200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000015000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003654500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000718300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001309700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001172800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005080300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002346400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003843500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003067500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003107200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000627100000000 ]- atom: 46 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000001100000000, 0.0000000800000000, 0.0000613300000000 ] - [ 0.0000001100000000, 0.0000000500000000, 0.0000662400000000 ] - [ 0.0000003300000000, -0.0000003900000000, 0.0001290700000000 ] - [ -0.0000017400000000, 0.0000000600000000, -0.0000140900000000 ] - [ 0.0000004300000000, -0.0000004100000000, 0.0000690700000000 ] - [ -0.0000010900000000, 0.0000000700000000, 0.0000115900000000 ] - [ 0.0000000700000000, -0.0000004300000000, 0.0003302900000000 ] - [ -0.0000002900000000, 0.0000000600000000, 0.0001687300000000 ] - [ 0.0000004700000000, -0.0000004400000000, 0.0001176200000000 ] - [ -0.0000008800000000, 0.0000000300000000, 0.0001290200000000 ] - [ 0.0109746600000000, -0.0002042700000000, 0.0001905300000000 ] - [ -0.0000009500000000, 0.0000000500000000, 0.0002129600000000 ] - [ 0.0000009300000000, -0.0000004300000000, 0.0000237100000000 ] - [ 0.0000011700000000, -0.0000004600000000, 0.0001485100000000 ] - [ 0.0000003300000000, -0.0000004400000000, -0.0000019400000000 ] - [ -0.0000295000000000, -0.0000002200000000, -0.0000908100000000 ] - [ -0.0000000300000000, 0.0000000300000000, 0.0000253700000000 ] - [ -0.0000751300000000, -0.0000015600000000, 0.0000106800000000 ] - [ 0.0000007900000000, -0.0000003900000000, 0.0003462800000000 ] - [ 0.0000013100000000, -0.0000004000000000, 0.0001841400000000 ] - [ 0.0000904200000000, -0.0000002300000000, 0.0001473200000000 ] - [ 0.0000000200000000, 0.0000001500000000, -0.0001240600000000 ] - [ 0.0000001500000000, 0.0000001900000000, -0.0001888400000000 ] - [ 0.0000001000000000, -0.0000000200000000, 0.0000623400000000 ] - [ 0.0000005600000000, 0.0000002300000000, -0.0001392700000000 ] - [ -0.0000002000000000, 0.0000001600000000, -0.0001915600000000 ] - [ -0.0000005600000000, 0.0000001400000000, 0.0001497800000000 ] - [ 0.0008226700000000, 0.0000521400000000, 0.0000221700000000 ] - [ 0.0000002400000000, -0.0000000100000000, 0.0000619100000000 ] - [ -0.0000000800000000, 0.0000000000000000, 0.0002743400000000 ] - [ 0.0000004100000000, 0.0000002300000000, -0.0000622000000000 ] - [ 0.0000004200000000, 0.0000002200000000, -0.0000552300000000 ] - [ 0.0000001300000000, -0.0000000200000000, 0.0000340100000000 ] - [ 0.0000002400000000, -0.0000000200000000, 0.0001507100000000 ] - [ 0.0000002200000000, 0.0000000300000000, -0.0000215600000000 ] - [ -0.0000001300000000, -0.0000000200000000, 0.0002469500000000 ] - [ 0.0000009800000000, 0.0000002200000000, -0.0003502100000000 ] - [ -0.0000001800000000, 0.0000000200000000, 0.0000456900000000 ] - [ -0.0000008300000000, 0.0000001300000000, -0.0000691100000000 ] - [ 0.0000904900000000, 0.0000006500000000, -0.0001847800000000 ] - [ 0.0000002800000000, 0.0000002900000000, -0.0002157500000000 ] - [ 0.0000008000000000, 0.0000002600000000, -0.0001904600000000 ] - [ -0.0000000500000000, 0.0000001400000000, -0.0000158200000000 ] - [ -0.0000000800000000, 0.0000001400000000, -0.0002997900000000 ] - [ -0.0000007400000000, 0.0000001400000000, 0.0000688700000000 ] - [ -0.0127702800000000, 0.0001447300000000, -0.0005408200000000 ] - [ 0.0000000700000000, -0.0000000600000000, 0.0000690100000000 ] - [ -0.0000003400000000, -0.0000000200000000, -0.0001155600000000 ] - [ -0.0000002000000000, 0.0000000800000000, 0.0001126700000000 ] - [ -0.0000021400000000, -0.0000000500000000, 0.0001770300000000 ] - [ 0.0008966400000000, 0.0000088900000000, -0.0002498000000000 ] - [ -0.0000003900000000, -0.0000000300000000, 0.0000568700000000 ] - [ -0.0000000800000000, 0.0000000100000000, 0.0002543300000000 ] - [ -0.0000001500000000, -0.0000000300000000, 0.0000055400000000 ] - [ 0.0000007200000000, 0.0000002300000000, -0.0003848700000000 ] - [ -0.0000001800000000, 0.0000001500000000, -0.0001053800000000 ] - [ 0.0000000400000000, 0.0000000500000000, -0.0002556200000000 ] - [ 0.0000002500000000, 0.0000001000000000, -0.0001826700000000 ] - [ -0.0000002900000000, 0.0000001900000000, -0.0001813800000000 ] - [ 0.0000001400000000, -0.0000000100000000, 0.0000669000000000 ]- atom: 46 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0001870900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001807800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001192100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002622000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001788200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002368700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000819800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000792100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001300200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001192300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0303741100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000355500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002243500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000979900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002498800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003569200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002233600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000756500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000983400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000637000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003099400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000002700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000643800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001855800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000149400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000682200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002726800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0101878300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001856300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003980800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000630400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000697100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001576400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002744900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001022400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003703200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002256800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001695000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000544400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000224700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000908300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000662000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001079800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001762400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001911000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0428203000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001939200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000073600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002369600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003003000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014420200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001800500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003782500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001292900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002601700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000176700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001377100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000558300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000579700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001903200000000 ]- atom: 46 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0003110000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003145100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003785300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002338500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003167200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002596500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005785500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004164500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003651500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003771900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0302486100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004612700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002706600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003968200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002458200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001743300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002729100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000571300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005938500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004312600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000135900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002514400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003099800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000644500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002599200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003178200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000232500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100069900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000653800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001540300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001839200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001769700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000923500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000238200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001422800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001202900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004718900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000748100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001897000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003454600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003370300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003122800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001423200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004264700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000565500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0418854700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000534000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002411700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000088800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000514100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0019669700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000697500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001337600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001142300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005068100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002317000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003764100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003064400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003081200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000593500000000 ]- atom: 47 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0002757400000000, 0.0000002700000000, 0.0000582600000000 ] - [ 0.0109574600000000, 0.0002039100000000, 0.0003072300000000 ] - [ 0.0000002200000000, -0.0000003300000000, 0.0001290100000000 ] - [ -0.0000006200000000, 0.0000001300000000, -0.0000141400000000 ] - [ 0.0000001700000000, -0.0000003500000000, 0.0000690300000000 ] - [ -0.0000001300000000, 0.0000001400000000, 0.0000115000000000 ] - [ 0.0000001500000000, -0.0000003600000000, 0.0003302500000000 ] - [ 0.0000000900000000, 0.0000001300000000, 0.0001687000000000 ] - [ 0.0000001300000000, -0.0000003700000000, 0.0001175800000000 ] - [ -0.0000004000000000, 0.0000001000000000, 0.0001289800000000 ] - [ -0.0000007300000000, -0.0000003400000000, -0.0000503700000000 ] - [ -0.0000002500000000, 0.0000001200000000, 0.0002129200000000 ] - [ 0.0000036300000000, -0.0000003600000000, 0.0000217600000000 ] - [ 0.0000008200000000, -0.0000004000000000, 0.0001485000000000 ] - [ 0.0000007800000000, -0.0000003700000000, -0.0000020000000000 ] - [ -0.0000002300000000, 0.0000000900000000, -0.0000909400000000 ] - [ 0.0000002500000000, 0.0000001000000000, 0.0000253300000000 ] - [ -0.0000003600000000, 0.0000001100000000, 0.0000136400000000 ] - [ 0.0000009800000000, -0.0000003200000000, 0.0003462300000000 ] - [ -0.0000278900000000, -0.0000000800000000, 0.0001842100000000 ] - [ 0.0000012300000000, 0.0000000800000000, 0.0001481300000000 ] - [ -0.0000004900000000, 0.0000002200000000, -0.0001241900000000 ] - [ -0.0000005600000000, 0.0000002500000000, -0.0001888200000000 ] - [ 0.0000004200000000, 0.0000000400000000, 0.0000622100000000 ] - [ -0.0000004200000000, 0.0000002900000000, -0.0001392400000000 ] - [ -0.0000005500000000, 0.0000002300000000, -0.0001916900000000 ] - [ 0.0000001200000000, 0.0000002100000000, 0.0001496400000000 ] - [ 0.0000004100000000, 0.0000000500000000, -0.0000013300000000 ] - [ 0.0000002800000000, 0.0000000500000000, 0.0000617800000000 ] - [ 0.0000007700000000, 0.0000000700000000, 0.0002743700000000 ] - [ -0.0000003100000000, 0.0000003000000000, -0.0000621700000000 ] - [ -0.0000002400000000, 0.0000002900000000, -0.0000552000000000 ] - [ -0.0000032200000000, 0.0000000400000000, 0.0000339800000000 ] - [ 0.0000004700000000, 0.0000000500000000, 0.0001505900000000 ] - [ 0.0000009500000000, 0.0000001000000000, -0.0000215400000000 ] - [ 0.0000002000000000, 0.0000000400000000, 0.0002468000000000 ] - [ -0.0000002500000000, 0.0000002800000000, -0.0003501900000000 ] - [ 0.0000009400000000, 0.0000000800000000, 0.0000457100000000 ] - [ -0.0000352700000000, -0.0000002700000000, -0.0000697600000000 ] - [ 0.0000015600000000, 0.0000000800000000, -0.0001850700000000 ] - [ -0.0000002200000000, 0.0000003700000000, -0.0002157200000000 ] - [ 0.0000874400000000, -0.0000003000000000, -0.0001901200000000 ] - [ 0.0012054000000000, -0.0000056800000000, -0.0000283900000000 ] - [ 0.0000001300000000, 0.0000002000000000, -0.0002999300000000 ] - [ 0.0008151700000000, -0.0000519400000000, 0.0000925500000000 ] - [ 0.0000000400000000, 0.0000003100000000, -0.0002927400000000 ] - [ -0.0127329900000000, -0.0001491200000000, -0.0001756800000000 ] - [ 0.0000003400000000, 0.0000000500000000, -0.0001156900000000 ] - [ -0.0000000600000000, 0.0000001400000000, 0.0001127100000000 ] - [ 0.0000008900000000, 0.0000001200000000, 0.0001768300000000 ] - [ -0.0000004900000000, 0.0000002200000000, -0.0002366300000000 ] - [ 0.0000002600000000, 0.0000000400000000, 0.0000567300000000 ] - [ 0.0000010600000000, 0.0000000800000000, 0.0002543500000000 ] - [ 0.0000006500000000, 0.0000000300000000, 0.0000055700000000 ] - [ -0.0000003800000000, 0.0000003000000000, -0.0003848400000000 ] - [ -0.0000002700000000, 0.0000002200000000, -0.0001055100000000 ] - [ 0.0000000000000000, 0.0000002100000000, -0.0002557500000000 ] - [ -0.0000011500000000, 0.0000001600000000, -0.0001826700000000 ] - [ -0.0000000600000000, 0.0000002500000000, -0.0001815000000000 ] - [ -0.0000001000000000, 0.0000000700000000, 0.0000667500000000 ]- atom: 47 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0000295300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0304982500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001224700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002654300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001821100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002386300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000791100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000821300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001339400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001215900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003016400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000378100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002265100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001012500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002526400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003416500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002258900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002369400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000949800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000843200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002738600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000000700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000629900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001865400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000135700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000676100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002745600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001240600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001865700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004009200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000629800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000699800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001640500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002759300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001047300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003715300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002250600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001723500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000923000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000592200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000902700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000283800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017224300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001747100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0102638300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001678100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0424360500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000091100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002382300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002968900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001123100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001811700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003801400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001323900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002599800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000192200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001308700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000561900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000571700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001914600000000 ]- atom: 47 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0000890900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0301376900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003815100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002372100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003201400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002618200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005816200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004196300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003692500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003799900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002007700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004639400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002691400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004000800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002488300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001596800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002759300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002647500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005975100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004513300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000201600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002474800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003155200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000610500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002664200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003153800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000255000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001252900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000620700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001460300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001890500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001821600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000958000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000265600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001496300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001233500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004772100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000825700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002324000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003127000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003419100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003540800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0018035300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004243900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0099394600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004195900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0422340700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002390800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000140600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000576800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003598600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000676800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001270300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001228600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005118200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002292900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003794200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003121100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003043800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000566400000000 ]- atom: 48 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000006500000000, 0.0000000000000000, 0.0000610700000000 ] - [ -0.0000001900000000, -0.0000000400000000, 0.0000660100000000 ] - [ 0.0000007400000000, -0.0000004800000000, 0.0001288200000000 ] - [ -0.0001884400000000, -0.0000020800000000, -0.0000133700000000 ] - [ 0.0000005900000000, -0.0000005000000000, 0.0000688300000000 ] - [ 0.0000002600000000, -0.0000000100000000, 0.0000113200000000 ] - [ 0.0000007600000000, -0.0000005200000000, 0.0003300500000000 ] - [ -0.0000001800000000, -0.0000000200000000, 0.0001685000000000 ] - [ 0.0000014700000000, -0.0000005300000000, 0.0001173900000000 ] - [ 0.0000005300000000, -0.0000000500000000, 0.0001287900000000 ] - [ 0.0000006100000000, -0.0000004800000000, -0.0000505800000000 ] - [ 0.0000004200000000, -0.0000000300000000, 0.0002127300000000 ] - [ 0.0000012500000000, -0.0000005100000000, 0.0000234500000000 ] - [ 0.0000011800000000, -0.0000005400000000, 0.0001483000000000 ] - [ 0.0107300400000000, 0.0002050900000000, -0.0002424900000000 ] - [ 0.0000220100000000, 0.0000000300000000, -0.0000912400000000 ] - [ -0.0000001400000000, -0.0000000500000000, 0.0000251300000000 ] - [ 0.0000005500000000, -0.0000000500000000, 0.0000134400000000 ] - [ 0.0000011000000000, -0.0000004700000000, 0.0003460400000000 ] - [ 0.0000007000000000, -0.0000004900000000, 0.0001839100000000 ] - [ 0.0000004900000000, -0.0000000700000000, 0.0001482100000000 ] - [ 0.0000004900000000, 0.0000000700000000, -0.0001241200000000 ] - [ -0.0000003800000000, 0.0000001000000000, -0.0001887400000000 ] - [ 0.0000005000000000, -0.0000001000000000, 0.0000622700000000 ] - [ -0.0000003400000000, 0.0000001500000000, -0.0001391500000000 ] - [ 0.0000005700000000, 0.0000000700000000, -0.0001916200000000 ] - [ 0.0000003800000000, 0.0000000600000000, 0.0001497000000000 ] - [ 0.0000005200000000, -0.0000000900000000, -0.0000012600000000 ] - [ 0.0000007100000000, -0.0000001000000000, 0.0000618500000000 ] - [ 0.0000003600000000, -0.0000000800000000, 0.0002744500000000 ] - [ 0.0000001700000000, 0.0000001500000000, -0.0000620900000000 ] - [ 0.0000002700000000, 0.0000001400000000, -0.0000551100000000 ] - [ 0.0000005800000000, -0.0000001100000000, 0.0000339500000000 ] - [ 0.0000014600000000, -0.0000001000000000, 0.0001506600000000 ] - [ 0.0008943900000000, 0.0000110900000000, -0.0000135000000000 ] - [ 0.0000005700000000, -0.0000001100000000, 0.0002468600000000 ] - [ -0.0000021700000000, 0.0000001600000000, -0.0003501200000000 ] - [ -0.0000001000000000, -0.0000000700000000, 0.0000458000000000 ] - [ 0.0000006300000000, 0.0000000400000000, -0.0000689800000000 ] - [ 0.0000007100000000, -0.0000002100000000, -0.0001849700000000 ] - [ 0.0000003400000000, 0.0000002100000000, -0.0002156400000000 ] - [ 0.0000002400000000, 0.0000001800000000, -0.0001903500000000 ] - [ 0.0000005900000000, 0.0000000600000000, -0.0000158900000000 ] - [ -0.0000719400000000, 0.0000000500000000, -0.0002997500000000 ] - [ 0.0000005700000000, 0.0000000600000000, 0.0000688300000000 ] - [ -0.0000003600000000, 0.0000001600000000, -0.0002926500000000 ] - [ 0.0000003800000000, -0.0000001400000000, 0.0000691000000000 ] - [ -0.0121560600000000, -0.0001566800000000, 0.0001428800000000 ] - [ 0.0000001600000000, -0.0000000100000000, 0.0001128000000000 ] - [ 0.0000014700000000, -0.0000001100000000, 0.0001769000000000 ] - [ -0.0000005600000000, 0.0000000600000000, -0.0002365800000000 ] - [ 0.0000010100000000, -0.0000001100000000, 0.0000568000000000 ] - [ 0.0000004200000000, -0.0000000700000000, 0.0002544400000000 ] - [ 0.0000003300000000, -0.0000001200000000, 0.0000056500000000 ] - [ 0.0008224500000000, -0.0000522000000000, -0.0004081100000000 ] - [ -0.0000004600000000, 0.0000000600000000, -0.0001054400000000 ] - [ -0.0000719000000000, -0.0000007100000000, -0.0002559800000000 ] - [ 0.0000001800000000, 0.0000000200000000, -0.0001825800000000 ] - [ 0.0000002000000000, 0.0000001000000000, -0.0001814300000000 ] - [ 0.0000005200000000, -0.0000000800000000, 0.0000668100000000 ]- atom: 48 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0001934600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001853300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001247900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000254800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001837600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002410100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000776100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000833800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001335100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001232200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003032400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000394400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002287200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001029300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0301335400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003537100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002273900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002390900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000937400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000683000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002735700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000049500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000641100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001914600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000146200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000633100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002768700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001277400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001908000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003997600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000629000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000708100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001632400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002781700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017001500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003750700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002241800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001711400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000570200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000651700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000902300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000649900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001118500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001204600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001973700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001683800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001936100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0421953500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002382600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003046000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001090300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001842200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003803000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001297100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0096189400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000214600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000769500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000573500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000518800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001938900000000 ]- atom: 48 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0003149600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003179700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003821500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000001000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003204400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002628400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005818300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004194100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003678100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003802500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002007900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004642000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002741400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004003200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0303688600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001707500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002760200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002653200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005973300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004350200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000242900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002545000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003118500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000674700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002620300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003213400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000203100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001306100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000680000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001508800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001849900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001785200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000957700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000213600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016946800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001172700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004732600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000768100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001927700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003030600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003391100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003139700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001453700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004793500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000599900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004155900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000560200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0423380900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000107700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000480200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003653700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000723200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001311100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001172000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0105715400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002345200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004356400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003080600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003111800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000624500000000 ]- atom: 49 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000002900000000, 0.0000001500000000, 0.0000613500000000 ] - [ 0.0000003900000000, 0.0000001200000000, 0.0000663000000000 ] - [ 0.0000023800000000, -0.0000003300000000, 0.0001272100000000 ] - [ 0.0000002900000000, 0.0000001400000000, -0.0000140500000000 ] - [ 0.0000008800000000, -0.0000003400000000, 0.0000691000000000 ] - [ 0.0109748000000000, 0.0002040200000000, 0.0002525000000000 ] - [ 0.0000010300000000, -0.0000003600000000, 0.0003303400000000 ] - [ -0.0000001900000000, 0.0000001300000000, 0.0001687700000000 ] - [ 0.0000010400000000, -0.0000003700000000, 0.0001176500000000 ] - [ 0.0000003300000000, 0.0000001100000000, 0.0001290500000000 ] - [ 0.0000023000000000, -0.0000003300000000, -0.0000502900000000 ] - [ 0.0000005400000000, 0.0000001200000000, 0.0002130000000000 ] - [ -0.0000285300000000, -0.0000001100000000, 0.0000238400000000 ] - [ -0.0000744700000000, 0.0000012000000000, 0.0001455400000000 ] - [ 0.0000002400000000, -0.0000003700000000, -0.0000019000000000 ] - [ 0.0000004700000000, 0.0000000900000000, -0.0000908600000000 ] - [ -0.0000001500000000, 0.0000001000000000, 0.0000254100000000 ] - [ -0.0000000700000000, 0.0000001100000000, 0.0000137000000000 ] - [ -0.0000001100000000, -0.0000003200000000, 0.0003463200000000 ] - [ 0.0000010100000000, -0.0000003300000000, 0.0001841800000000 ] - [ 0.0000009700000000, 0.0000000800000000, 0.0001481600000000 ] - [ 0.0000000000000000, 0.0000002200000000, -0.0001240400000000 ] - [ 0.0000900600000000, -0.0000003700000000, -0.0001884800000000 ] - [ 0.0009010100000000, -0.0000087100000000, 0.0000490100000000 ] - [ -0.0000010500000000, 0.0000002900000000, -0.0001392000000000 ] - [ 0.0008222800000000, -0.0000519200000000, -0.0001681800000000 ] - [ 0.0000000100000000, 0.0000002100000000, 0.0001498000000000 ] - [ 0.0000004700000000, 0.0000000600000000, -0.0000011700000000 ] - [ 0.0000004400000000, 0.0000000500000000, 0.0000619300000000 ] - [ 0.0000007300000000, 0.0000000700000000, 0.0002744200000000 ] - [ -0.0000003600000000, 0.0000003000000000, -0.0000621500000000 ] - [ -0.0000004000000000, 0.0000002900000000, -0.0000551700000000 ] - [ 0.0000006000000000, 0.0000001400000000, 0.0000340200000000 ] - [ -0.0000001900000000, 0.0000000500000000, 0.0001507300000000 ] - [ 0.0000006100000000, 0.0000001100000000, -0.0000215000000000 ] - [ 0.0000002700000000, 0.0000000400000000, 0.0002469600000000 ] - [ -0.0000006800000000, 0.0000002900000000, -0.0003501600000000 ] - [ 0.0000006200000000, 0.0000000800000000, 0.0000457500000000 ] - [ 0.0000013500000000, 0.0000001900000000, -0.0000690500000000 ] - [ 0.0000006900000000, 0.0000000900000000, -0.0001850300000000 ] - [ -0.0000010100000000, 0.0000003600000000, -0.0002156800000000 ] - [ -0.0000008800000000, 0.0000003300000000, -0.0001904100000000 ] - [ -0.0000004600000000, 0.0000002100000000, -0.0000158000000000 ] - [ 0.0000002100000000, 0.0000002000000000, -0.0002997700000000 ] - [ 0.0000001100000000, 0.0000002100000000, 0.0000688900000000 ] - [ -0.0000006100000000, 0.0000003000000000, -0.0002927100000000 ] - [ -0.0000002400000000, 0.0000000000000000, 0.0000690600000000 ] - [ 0.0000001000000000, 0.0000000600000000, -0.0001155300000000 ] - [ -0.0127859600000000, -0.0001485600000000, -0.0001357700000000 ] - [ 0.0000003500000000, 0.0000000300000000, 0.0001769900000000 ] - [ 0.0000000400000000, 0.0000002200000000, -0.0002364600000000 ] - [ 0.0000018200000000, 0.0000000600000000, 0.0000569400000000 ] - [ 0.0000008500000000, 0.0000000800000000, 0.0002543900000000 ] - [ -0.0000000800000000, 0.0000000300000000, 0.0000055900000000 ] - [ -0.0000004800000000, 0.0000003000000000, -0.0003848200000000 ] - [ -0.0000000900000000, 0.0000002200000000, -0.0001053600000000 ] - [ -0.0000003900000000, 0.0000002200000000, -0.0002555900000000 ] - [ 0.0000874900000000, 0.0000004100000000, -0.0001833700000000 ] - [ -0.0000005200000000, 0.0000002600000000, -0.0001813600000000 ] - [ 0.0000004300000000, 0.0000000600000000, 0.0000669200000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0001866900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001802300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001193400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002614600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001790600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0304364800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000821900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000788400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001304300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001183300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002978200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000344800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002417100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002126900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002503100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003382800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002224400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002335400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000981000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000640800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002724300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000007800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000257000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017443200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000147400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0099963300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002734000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001233000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001852000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003994400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000629700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000690100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001522200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002740700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001038900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003701200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002259400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001710800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000559000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000597900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000911500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000668400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001073300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001755200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001922300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001682800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001946800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000084000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0424385900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003010200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001128900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001822000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003803000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001308300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002609900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000182500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001319800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000203800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000589100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001911500000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0003104800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003142200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003748800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002334800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003175600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0301858400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005789000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004166400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003661900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003770000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001970700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004608700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002879900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000771000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002467300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001566900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002728500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002616600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005946800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004323500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000240300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002483400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003520900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016685000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002626600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0101942700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000249800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001256800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000622600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001502100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001864800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001785800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000837100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000267600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001461500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001231300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004737300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000787300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001937400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003096500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003385900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003133200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001395800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004249400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000543200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004167800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000580500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002398100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0423052900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000525500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003605900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000703400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001294800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001188800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005082600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002298300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003798100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003481600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003042200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000579000000000 ]- atom: 50 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000002200000000, -0.0000000200000000, 0.0000610900000000 ] - [ 0.0000220400000000, 0.0000000400000000, 0.0000659500000000 ] - [ 0.0000003800000000, -0.0000005000000000, 0.0001288400000000 ] - [ 0.0000004500000000, -0.0000000400000000, -0.0000143000000000 ] - [ 0.0000009300000000, -0.0000005100000000, 0.0000688600000000 ] - [ -0.0000000900000000, -0.0000000300000000, 0.0000113400000000 ] - [ 0.0000006200000000, -0.0000005400000000, 0.0003300900000000 ] - [ 0.0000005100000000, -0.0000000400000000, 0.0001685300000000 ] - [ 0.0000011700000000, -0.0000005300000000, 0.0001174100000000 ] - [ 0.0000004700000000, -0.0000000700000000, 0.0001288100000000 ] - [ 0.0000014300000000, -0.0000005100000000, -0.0000505400000000 ] - [ -0.0000001500000000, -0.0000000500000000, 0.0002127500000000 ] - [ 0.0000013300000000, -0.0000005300000000, 0.0000234800000000 ] - [ 0.0000008600000000, -0.0000005600000000, 0.0001483200000000 ] - [ 0.0000007900000000, -0.0000005400000000, -0.0000021500000000 ] - [ -0.0000001100000000, -0.0000000800000000, -0.0000911000000000 ] - [ 0.0000005800000000, -0.0000000800000000, 0.0000251500000000 ] - [ -0.0001889800000000, -0.0000021300000000, 0.0000144800000000 ] - [ 0.0000006900000000, -0.0000005000000000, 0.0003460700000000 ] - [ 0.0107354700000000, 0.0002051900000000, -0.0000564300000000 ] - [ 0.0008974700000000, 0.0000111200000000, 0.0001562600000000 ] - [ 0.0000002400000000, 0.0000000400000000, -0.0001240600000000 ] - [ 0.0000001500000000, 0.0000000800000000, -0.0001887400000000 ] - [ 0.0000008800000000, -0.0000001200000000, 0.0000623500000000 ] - [ -0.0000001800000000, 0.0000001300000000, -0.0001391700000000 ] - [ 0.0000011900000000, 0.0000000500000000, -0.0001915500000000 ] - [ 0.0000002300000000, 0.0000000400000000, 0.0001497800000000 ] - [ 0.0000005700000000, -0.0000001100000000, -0.0000011900000000 ] - [ 0.0000008700000000, -0.0000001200000000, 0.0000619100000000 ] - [ 0.0000006200000000, -0.0000001000000000, 0.0002744500000000 ] - [ 0.0000003400000000, 0.0000001300000000, -0.0000621000000000 ] - [ -0.0000003400000000, 0.0000001300000000, -0.0000551200000000 ] - [ -0.0000002500000000, -0.0000001300000000, 0.0000340100000000 ] - [ 0.0000007100000000, -0.0000001200000000, 0.0001507200000000 ] - [ 0.0000004600000000, -0.0000000700000000, -0.0000214500000000 ] - [ 0.0000010200000000, -0.0000001300000000, 0.0002469400000000 ] - [ 0.0000001600000000, 0.0000001100000000, -0.0003501100000000 ] - [ 0.0000004000000000, -0.0000000900000000, 0.0000457900000000 ] - [ -0.0000000500000000, 0.0000000100000000, -0.0000689900000000 ] - [ -0.0000000600000000, -0.0000000800000000, -0.0001849900000000 ] - [ 0.0000003300000000, 0.0000002000000000, -0.0002156400000000 ] - [ 0.0008229900000000, -0.0000522100000000, -0.0002137400000000 ] - [ 0.0000001600000000, 0.0000000300000000, -0.0000158200000000 ] - [ 0.0000003900000000, 0.0000000300000000, -0.0002997900000000 ] - [ -0.0000721800000000, -0.0000007400000000, 0.0000685800000000 ] - [ -0.0000021500000000, 0.0000001700000000, -0.0002926700000000 ] - [ 0.0000010000000000, -0.0000003100000000, 0.0000691100000000 ] - [ 0.0000015100000000, -0.0000001200000000, -0.0001155500000000 ] - [ 0.0000004600000000, -0.0000000300000000, 0.0001127900000000 ] - [ -0.0121654200000000, -0.0001556500000000, 0.0004335300000000 ] - [ -0.0000721300000000, 0.0000000400000000, -0.0002363700000000 ] - [ 0.0000009100000000, -0.0000001300000000, 0.0000568800000000 ] - [ 0.0000003200000000, -0.0000000900000000, 0.0002544400000000 ] - [ 0.0000000700000000, -0.0000001400000000, 0.0000056400000000 ] - [ 0.0000002800000000, 0.0000001300000000, -0.0003847600000000 ] - [ 0.0000004700000000, 0.0000000500000000, -0.0001053800000000 ] - [ -0.0000004500000000, 0.0000000400000000, -0.0002556100000000 ] - [ 0.0000000300000000, 0.0000000000000000, -0.0001825800000000 ] - [ 0.0000002500000000, 0.0000000900000000, -0.0001813700000000 ] - [ 0.0000005700000000, -0.0000001000000000, 0.0000668800000000 ]- atom: 50 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0001920900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001964800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001251000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002670400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001838300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002415100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000771700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000842200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001352700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001236900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003024100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000399300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002297400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001030600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002551400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003435000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002279900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000034900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000932900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0303206200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0018783000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000027700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000615400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001883300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000117400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000649300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002763400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001260100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001885500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004021800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000656700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000717600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001603700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002775400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001055100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003728500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002235400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001732500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000572600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000590200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000880000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0098178300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001108500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001734100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002461000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001664800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001917500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000113100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002394500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0419185100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000576800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001833400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003815400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001328300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002579800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000219000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001290600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000546700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000543800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001938000000000 ]- atom: 50 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0003144000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003289400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003830900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002370000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003202100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002626100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005817000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004198200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003687800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003800000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001995600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004641500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002743900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004004700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002495600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001596800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002757600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000272200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005973700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0301842600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015327100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002542500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003120000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000670600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002622500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003207500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000198600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001304300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000681400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001508800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001857400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001782200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000948400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000210900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001448800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001179800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004732900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000778400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001919400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003077500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003391300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0103804000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001446100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004289300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001112300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004156200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000505200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002447100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000106200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0426408500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004159200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000726200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001313300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001168200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005083600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002355800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003844800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003067500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003115700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000625000000000 ]- atom: 51 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000005700000000, -0.0000000100000000, 0.0000611700000000 ] - [ -0.0000002500000000, -0.0000000400000000, 0.0000661200000000 ] - [ 0.0000014700000000, -0.0000004700000000, 0.0001289300000000 ] - [ -0.0000000900000000, -0.0000000200000000, -0.0000142100000000 ] - [ 0.0000013000000000, -0.0000004900000000, 0.0000689200000000 ] - [ 0.0000000800000000, 0.0000000000000000, 0.0000114400000000 ] - [ 0.0000014000000000, -0.0000005100000000, 0.0003301700000000 ] - [ 0.0000002500000000, -0.0000000300000000, 0.0001686000000000 ] - [ 0.0000013400000000, -0.0000005100000000, 0.0001174800000000 ] - [ -0.0000001500000000, -0.0000000500000000, 0.0001288900000000 ] - [ -0.0001880900000000, 0.0000015900000000, -0.0000494600000000 ] - [ -0.0000002500000000, -0.0000000300000000, 0.0002128200000000 ] - [ 0.0000006500000000, -0.0000005100000000, 0.0000235700000000 ] - [ 0.0000001100000000, -0.0000005500000000, 0.0001483900000000 ] - [ 0.0000007300000000, -0.0000005300000000, -0.0000020700000000 ] - [ 0.0000006200000000, -0.0000000500000000, -0.0000910200000000 ] - [ 0.0000001100000000, -0.0000000600000000, 0.0000252500000000 ] - [ 0.0107303100000000, -0.0002056700000000, -0.0002267900000000 ] - [ 0.0000007000000000, -0.0000004800000000, 0.0003461600000000 ] - [ 0.0000228600000000, -0.0000005900000000, 0.0001839300000000 ] - [ 0.0008227400000000, 0.0000522800000000, 0.0001248900000000 ] - [ 0.0000007300000000, 0.0000000600000000, -0.0001239400000000 ] - [ 0.0000000400000000, 0.0000001000000000, -0.0001887000000000 ] - [ 0.0000009000000000, -0.0000001000000000, 0.0000624600000000 ] - [ 0.0000002900000000, 0.0000001500000000, -0.0001391200000000 ] - [ 0.0000006000000000, 0.0000000600000000, -0.0001914300000000 ] - [ 0.0000004200000000, 0.0000000700000000, 0.0001499100000000 ] - [ -0.0000718100000000, -0.0000000700000000, -0.0000009500000000 ] - [ 0.0000005200000000, -0.0000001000000000, 0.0000620300000000 ] - [ 0.0000006600000000, -0.0000000800000000, 0.0002744900000000 ] - [ 0.0000000000000000, 0.0000001500000000, -0.0000620600000000 ] - [ 0.0000000300000000, 0.0000001400000000, -0.0000550900000000 ] - [ 0.0000015000000000, -0.0000001100000000, 0.0000341400000000 ] - [ 0.0000007800000000, -0.0000001000000000, 0.0001508400000000 ] - [ 0.0000006500000000, -0.0000000500000000, -0.0000214200000000 ] - [ 0.0000005200000000, -0.0000001100000000, 0.0002470600000000 ] - [ 0.0000000900000000, 0.0000001300000000, -0.0003500700000000 ] - [ 0.0000005200000000, -0.0000000600000000, 0.0000458300000000 ] - [ 0.0000006300000000, 0.0000000400000000, -0.0000689600000000 ] - [ -0.0000017700000000, -0.0000000900000000, -0.0001849700000000 ] - [ -0.0000002600000000, 0.0000002200000000, -0.0002156100000000 ] - [ 0.0000003500000000, 0.0000003300000000, -0.0001903100000000 ] - [ -0.0000005700000000, 0.0000000500000000, -0.0000157100000000 ] - [ 0.0000011800000000, 0.0000000500000000, -0.0002996700000000 ] - [ 0.0000002100000000, 0.0000000600000000, 0.0000690000000000 ] - [ 0.0008968100000000, -0.0000110400000000, -0.0002845600000000 ] - [ -0.0000000500000000, -0.0000001500000000, 0.0000691600000000 ] - [ -0.0000001000000000, -0.0000001000000000, -0.0001154300000000 ] - [ 0.0000004500000000, 0.0000000000000000, 0.0001128200000000 ] - [ -0.0000716300000000, 0.0000006800000000, 0.0001767800000000 ] - [ -0.0121601500000000, 0.0001666200000000, 0.0000153600000000 ] - [ 0.0000005500000000, -0.0000001100000000, 0.0000569900000000 ] - [ 0.0000000000000000, -0.0000000700000000, 0.0002544800000000 ] - [ 0.0000001600000000, -0.0000001200000000, 0.0000056800000000 ] - [ -0.0000004700000000, 0.0000001500000000, -0.0003847300000000 ] - [ 0.0000002600000000, 0.0000000600000000, -0.0001052600000000 ] - [ 0.0000002200000000, 0.0000000600000000, -0.0002554900000000 ] - [ 0.0000001500000000, 0.0000000200000000, -0.0001825200000000 ] - [ 0.0000005500000000, 0.0000001000000000, -0.0001812600000000 ] - [ 0.0000006700000000, -0.0000000900000000, 0.0000670200000000 ]- atom: 51 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0001918100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001855600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001238300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002672200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001835200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002412700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000775600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000840600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001351100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001237600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000615100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000399700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002296600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001036400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002541100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003426800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002280000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0301500000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000935100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000798700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0101524000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000019200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000614000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001885200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000111900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000648500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002765400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001778800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001889600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004024300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000652200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000724700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001607700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002782700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001057100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003738800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002230100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001727900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000580600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000586200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000887500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000689600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001109000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001729600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001952200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014374200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001971600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000112000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002395000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003553100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0423379500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001842600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003816100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001334500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002585800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000215100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001283500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000533000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000544900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001936100000000 ]- atom: 51 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0003145800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003184300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003822100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002376400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003203100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002627800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005817800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004201000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003690700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003804900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000363500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004646000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002747500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004014000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002490000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001593200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002762600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0303522200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005975900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004458600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100385200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002528500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003118800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000669000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002626200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003203900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000202600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001799300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000680300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001508000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001851400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001788300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000947900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000209400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001450300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001174800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004737600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000773000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001925100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003081800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003382000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003086600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001442300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004286600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000602400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0019726300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000552700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002439200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000103500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000022900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0422100700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000730500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001314000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001172000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005077300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002345900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003844700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003076700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003110500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000616800000000 ]- atom: 52 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000001600000000, 0.0000000000000000, 0.0000608200000000 ] - [ 0.0000004500000000, -0.0000000400000000, 0.0000657700000000 ] - [ 0.0109174200000000, 0.0002024900000000, -0.0001117200000000 ] - [ 0.0000004900000000, -0.0000000200000000, -0.0000145700000000 ] - [ 0.0000006800000000, -0.0000004900000000, 0.0000685700000000 ] - [ -0.0000003600000000, 0.0000000100000000, 0.0000111000000000 ] - [ 0.0000002900000000, -0.0000005200000000, 0.0003298100000000 ] - [ 0.0000005000000000, -0.0000000300000000, 0.0001682400000000 ] - [ 0.0000010600000000, -0.0000005100000000, 0.0001171300000000 ] - [ 0.0000005900000000, -0.0000000500000000, 0.0001285300000000 ] - [ 0.0000004600000000, -0.0000004800000000, -0.0000508100000000 ] - [ -0.0000001200000000, -0.0000000300000000, 0.0002124800000000 ] - [ 0.0000006600000000, -0.0000005100000000, 0.0000232200000000 ] - [ -0.0002743900000000, -0.0000004200000000, 0.0001510200000000 ] - [ 0.0000006800000000, -0.0000005200000000, -0.0000024200000000 ] - [ -0.0000000800000000, -0.0000000600000000, -0.0000913900000000 ] - [ 0.0000214900000000, 0.0000000600000000, 0.0000248200000000 ] - [ 0.0000004600000000, -0.0000000400000000, 0.0000131900000000 ] - [ 0.0000006400000000, -0.0000004700000000, 0.0003458000000000 ] - [ 0.0000011200000000, -0.0000004800000000, 0.0001836600000000 ] - [ 0.0000003800000000, -0.0000000700000000, 0.0001482600000000 ] - [ -0.0000005600000000, 0.0000000700000000, -0.0001239200000000 ] - [ -0.0000004600000000, 0.0000001100000000, -0.0001886800000000 ] - [ -0.0000441500000000, -0.0000005200000000, 0.0000631200000000 ] - [ -0.0000003600000000, 0.0000001500000000, -0.0001391000000000 ] - [ 0.0000001900000000, 0.0000000700000000, -0.0001914100000000 ] - [ 0.0000005700000000, 0.0000000700000000, 0.0001499300000000 ] - [ 0.0000007300000000, -0.0000000900000000, -0.0000010500000000 ] - [ 0.0000004400000000, -0.0000000900000000, 0.0000620600000000 ] - [ 0.0000004600000000, -0.0000000700000000, 0.0002745100000000 ] - [ 0.0000001500000000, 0.0000001600000000, -0.0000620500000000 ] - [ 0.0000002200000000, 0.0000001400000000, -0.0000550700000000 ] - [ -0.0000001100000000, -0.0000001000000000, 0.0000341700000000 ] - [ 0.0000008600000000, -0.0000001000000000, 0.0001508700000000 ] - [ 0.0000005700000000, -0.0000000500000000, -0.0000214000000000 ] - [ 0.0000014500000000, -0.0000001100000000, 0.0002470800000000 ] - [ -0.0000001600000000, 0.0000001400000000, -0.0003500500000000 ] - [ 0.0000000100000000, -0.0000000700000000, 0.0000458400000000 ] - [ 0.0000006600000000, 0.0000000500000000, -0.0000689400000000 ] - [ 0.0000003500000000, -0.0000000600000000, -0.0001849300000000 ] - [ 0.0009163900000000, -0.0000510200000000, -0.0002392100000000 ] - [ 0.0000000900000000, 0.0000001800000000, -0.0001903000000000 ] - [ 0.0000011500000000, 0.0000000600000000, -0.0000156800000000 ] - [ 0.0000002100000000, 0.0000000500000000, -0.0002996500000000 ] - [ 0.0000003600000000, 0.0000000600000000, 0.0000690100000000 ] - [ -0.0000004000000000, 0.0000001600000000, -0.0002926000000000 ] - [ 0.0000004200000000, -0.0000001400000000, 0.0000691700000000 ] - [ 0.0000010300000000, -0.0000000900000000, -0.0001154100000000 ] - [ 0.0000019100000000, -0.0000000300000000, 0.0001127900000000 ] - [ 0.0000005700000000, -0.0000001100000000, 0.0001771000000000 ] - [ 0.0000004700000000, 0.0000000700000000, -0.0002363500000000 ] - [ -0.0126958500000000, -0.0001400700000000, 0.0003084200000000 ] - [ 0.0000003600000000, -0.0000000600000000, 0.0002544900000000 ] - [ 0.0000014200000000, -0.0000002500000000, 0.0000057200000000 ] - [ 0.0000002100000000, 0.0000001500000000, -0.0003847100000000 ] - [ 0.0000002400000000, 0.0000000700000000, -0.0001052400000000 ] - [ 0.0000001900000000, 0.0000000700000000, -0.0002554700000000 ] - [ 0.0012067900000000, -0.0000058400000000, -0.0001702000000000 ] - [ -0.0000695100000000, -0.0000006900000000, -0.0001814100000000 ] - [ 0.0000008400000000, -0.0000000900000000, 0.0000670400000000 ]- atom: 52 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0001924300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001855000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0303241400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002668000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001840100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002418400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000766800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000840300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001354800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001239200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003035100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000398100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002292600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001233500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002551000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003439600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002400700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002390000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000932500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000690900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002749300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000018700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000625400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002290300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000127600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000652100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002759900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001260100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001887100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004014400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000647100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000720300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001604500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002776200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001056700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003734200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002234600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001723800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000578200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000586100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0098011000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000641900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001108100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001725800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001947900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001663600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001969000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000107800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002413900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003041000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001089900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0421316200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003810400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001268800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002578000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000217900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001285000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016110500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000078000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001940900000000 ]- atom: 52 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0003144200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003179300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0302937200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002368700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003203400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002629500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005822500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004196900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003690200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003803100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002007200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004640500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002741000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001789100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002495000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001602400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002879900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002649500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005974000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004350400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000232000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002524300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003121500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001055300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002624500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003197700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000211800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001295000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000673200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001503100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001860000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001797100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000940700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000219500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001462300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001184000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004745700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000782000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001934400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003092700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0104143400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003147500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001438400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004288500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000592400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004168900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000566700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002433300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000134800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000487900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003655700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0426136100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001305400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001121400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005096700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002345300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003842600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0019239000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003570100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000618500000000 ]- atom: 53 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000003200000000, 0.0000001500000000, 0.0000612500000000 ] - [ -0.0000002800000000, 0.0000001100000000, 0.0000662000000000 ] - [ 0.0000008100000000, -0.0000003200000000, 0.0001290100000000 ] - [ -0.0000001600000000, 0.0000001300000000, -0.0000141400000000 ] - [ -0.0000007300000000, -0.0000003500000000, 0.0000690200000000 ] - [ 0.0000004700000000, 0.0000001500000000, 0.0000115300000000 ] - [ -0.0000740000000000, 0.0000012200000000, 0.0003272700000000 ] - [ 0.0000006100000000, 0.0000001200000000, 0.0001686700000000 ] - [ 0.0000012000000000, -0.0000003600000000, 0.0001175600000000 ] - [ -0.0000003700000000, 0.0000001000000000, 0.0001289700000000 ] - [ 0.0000001500000000, -0.0000003300000000, -0.0000503700000000 ] - [ 0.0109718200000000, 0.0002039600000000, 0.0004537600000000 ] - [ 0.0000001400000000, -0.0000003600000000, 0.0000236600000000 ] - [ 0.0000022600000000, -0.0000003900000000, 0.0001484700000000 ] - [ 0.0000001700000000, -0.0000003700000000, -0.0000019900000000 ] - [ 0.0000002600000000, 0.0000000900000000, -0.0000909600000000 ] - [ -0.0000002400000000, 0.0000001000000000, 0.0000253200000000 ] - [ -0.0000004000000000, 0.0000001100000000, 0.0000136300000000 ] - [ -0.0000285000000000, -0.0000000700000000, 0.0003463300000000 ] - [ 0.0000009800000000, -0.0000003300000000, 0.0001840900000000 ] - [ 0.0000007800000000, 0.0000000800000000, 0.0001481000000000 ] - [ -0.0000004800000000, 0.0000002200000000, -0.0001241500000000 ] - [ -0.0000005400000000, 0.0000002500000000, -0.0001888500000000 ] - [ 0.0000004100000000, 0.0000000500000000, 0.0000622400000000 ] - [ 0.0000000500000000, 0.0000003000000000, -0.0001392800000000 ] - [ -0.0000003800000000, 0.0000002200000000, -0.0001916600000000 ] - [ 0.0008224500000000, -0.0000519400000000, 0.0001730400000000 ] - [ 0.0000003000000000, 0.0000000600000000, -0.0000012900000000 ] - [ 0.0000003800000000, 0.0000000500000000, 0.0000618100000000 ] - [ 0.0000012300000000, 0.0000000800000000, 0.0002743400000000 ] - [ 0.0000901600000000, -0.0000003200000000, -0.0000619100000000 ] - [ 0.0000900200000000, 0.0000005300000000, -0.0000560100000000 ] - [ 0.0000000800000000, 0.0000000500000000, 0.0000339200000000 ] - [ 0.0008945200000000, -0.0000086400000000, 0.0001374400000000 ] - [ 0.0000015200000000, 0.0000001000000000, -0.0000215700000000 ] - [ 0.0000005300000000, 0.0000001300000000, 0.0002468400000000 ] - [ -0.0000000700000000, 0.0000002900000000, -0.0003502200000000 ] - [ 0.0000013000000000, 0.0000000900000000, 0.0000456800000000 ] - [ 0.0000006600000000, 0.0000001900000000, -0.0000691000000000 ] - [ 0.0000006800000000, 0.0000000900000000, -0.0001850900000000 ] - [ -0.0000003400000000, 0.0000003600000000, -0.0002157500000000 ] - [ -0.0000003100000000, 0.0000003300000000, -0.0001904700000000 ] - [ 0.0000001700000000, 0.0000002100000000, -0.0000159200000000 ] - [ 0.0000001300000000, 0.0000002000000000, -0.0002998900000000 ] - [ 0.0000001100000000, 0.0000002100000000, 0.0000687900000000 ] - [ -0.0000004300000000, 0.0000003100000000, -0.0002927700000000 ] - [ 0.0000010200000000, 0.0000000100000000, 0.0000689900000000 ] - [ 0.0000002900000000, 0.0000000500000000, -0.0001156500000000 ] - [ 0.0000006500000000, 0.0000001500000000, 0.0001126700000000 ] - [ 0.0000001900000000, 0.0000000400000000, 0.0001768600000000 ] - [ -0.0000005000000000, 0.0000002200000000, -0.0002365900000000 ] - [ 0.0000003000000000, 0.0000000400000000, 0.0000567800000000 ] - [ -0.0127773000000000, -0.0001486000000000, 0.0000091400000000 ] - [ 0.0000015100000000, 0.0000000300000000, 0.0000055300000000 ] - [ -0.0000002500000000, 0.0000003000000000, -0.0003848800000000 ] - [ -0.0000022800000000, 0.0000002300000000, -0.0001054000000000 ] - [ -0.0000000700000000, 0.0000002100000000, -0.0002557000000000 ] - [ -0.0000006900000000, 0.0000001700000000, -0.0001826800000000 ] - [ 0.0000000100000000, 0.0000002600000000, -0.0001814700000000 ] - [ -0.0000002800000000, 0.0000000700000000, 0.0000668100000000 ]- atom: 53 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0001866900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001807900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001191100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002623000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001792800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002361500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003909400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000791600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001302600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001189300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002989800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0306377500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002254600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000979400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002502700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003388700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002231200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002339600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000802400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000647100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002728200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000017000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000645500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001850800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000149700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000684700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0103377000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001227800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001850400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003995700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001009700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001069900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001573500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0018233300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001032100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003645600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002263600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001706500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000561000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000602700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000918400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000671700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001084000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001763900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001919000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001688600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001947500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000079600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002379900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003007900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001133600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001799300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0422662200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001309500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002612500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000173100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001323700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000563400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000585300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001895600000000 ]- atom: 53 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0003102100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003144600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003783100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002334800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003169900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002584900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002598200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004159600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003650600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003765300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001972500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0299851200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002713500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003964700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002459800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001563200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002721600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002613100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006108600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004317000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000256800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002502500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003097200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000644700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002598600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003178500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0098571700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001277500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000651800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001525500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002222300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002164400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000923900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015739200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001433000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001257500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004711400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000757900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001913800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003071700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003360300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003113400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001429600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004265800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000577700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004139800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000542400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002420300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000098600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000506900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003627200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000698700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0424389800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001157500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005057700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002317500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003818600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003059100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003079200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000589200000000 ]- atom: 54 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000001400000000, 0.0000001300000000, 0.0000612900000000 ] - [ -0.0000007600000000, 0.0000000800000000, 0.0000662300000000 ] - [ -0.0000285400000000, -0.0000001000000000, 0.0001291400000000 ] - [ -0.0000005100000000, 0.0000001100000000, -0.0000141000000000 ] - [ -0.0000744400000000, 0.0000012200000000, 0.0000660500000000 ] - [ 0.0000003700000000, 0.0000001300000000, 0.0000115500000000 ] - [ 0.0000000400000000, -0.0000003900000000, 0.0003302800000000 ] - [ 0.0000001100000000, 0.0000001100000000, 0.0001687100000000 ] - [ 0.0000001300000000, -0.0000003900000000, 0.0001176000000000 ] - [ 0.0000005400000000, 0.0000000800000000, 0.0001289900000000 ] - [ 0.0000000100000000, -0.0000003600000000, -0.0000503500000000 ] - [ -0.0000002500000000, 0.0000000900000000, 0.0002129300000000 ] - [ 0.0000008400000000, -0.0000003900000000, 0.0000237000000000 ] - [ 0.0000011500000000, -0.0000004200000000, 0.0001484900000000 ] - [ 0.0000009100000000, -0.0000003900000000, -0.0000019700000000 ] - [ -0.0000003100000000, 0.0000000600000000, -0.0000909300000000 ] - [ 0.0109738100000000, 0.0002039400000000, 0.0002662100000000 ] - [ 0.0000000300000000, 0.0000000900000000, 0.0000136400000000 ] - [ 0.0000010900000000, -0.0000003400000000, 0.0003462600000000 ] - [ -0.0000000300000000, -0.0000003600000000, 0.0001841300000000 ] - [ 0.0000008300000000, 0.0000000600000000, 0.0001481000000000 ] - [ -0.0000023600000000, 0.0000002100000000, -0.0001240200000000 ] - [ -0.0000010700000000, 0.0000002300000000, -0.0001888600000000 ] - [ -0.0000005400000000, 0.0000000300000000, 0.0000623000000000 ] - [ 0.0000903100000000, 0.0000005100000000, -0.0001400500000000 ] - [ 0.0000000000000000, 0.0000001900000000, -0.0001916000000000 ] - [ 0.0000000300000000, 0.0000001900000000, 0.0001497400000000 ] - [ 0.0000004000000000, 0.0000000400000000, -0.0000012300000000 ] - [ 0.0008988400000000, -0.0000087400000000, 0.0000485100000000 ] - [ 0.0000011900000000, 0.0000000500000000, 0.0002743400000000 ] - [ -0.0000001400000000, 0.0000002800000000, -0.0000622100000000 ] - [ -0.0000003300000000, 0.0000002700000000, -0.0000552400000000 ] - [ 0.0000002500000000, 0.0000000200000000, 0.0000339800000000 ] - [ 0.0000001600000000, 0.0000000300000000, 0.0001506900000000 ] - [ 0.0000006900000000, 0.0000000800000000, -0.0000215800000000 ] - [ -0.0000003700000000, 0.0000000200000000, 0.0002469000000000 ] - [ -0.0000005400000000, 0.0000002600000000, -0.0003502200000000 ] - [ 0.0000005500000000, 0.0000000600000000, 0.0000456800000000 ] - [ 0.0000009200000000, 0.0000001600000000, -0.0000691100000000 ] - [ 0.0000010200000000, 0.0000000600000000, -0.0001851000000000 ] - [ 0.0000896400000000, -0.0000002800000000, -0.0002154400000000 ] - [ -0.0000003200000000, 0.0000003100000000, -0.0001904700000000 ] - [ -0.0000000900000000, 0.0000001800000000, -0.0000158600000000 ] - [ -0.0000006000000000, 0.0000001700000000, -0.0002998200000000 ] - [ 0.0000000200000000, 0.0000001900000000, 0.0000688400000000 ] - [ -0.0000003400000000, 0.0000002900000000, -0.0002927700000000 ] - [ 0.0000008000000000, -0.0000000100000000, 0.0000689900000000 ] - [ 0.0000001300000000, 0.0000000300000000, -0.0001156000000000 ] - [ -0.0000003000000000, 0.0000001200000000, 0.0001126800000000 ] - [ -0.0000001900000000, 0.0000000100000000, 0.0001769300000000 ] - [ -0.0000003500000000, 0.0000001900000000, -0.0002365200000000 ] - [ 0.0000012400000000, 0.0000001100000000, 0.0000568200000000 ] - [ 0.0000014000000000, 0.0000000600000000, 0.0002543100000000 ] - [ -0.0127768300000000, -0.0001472300000000, -0.0002411300000000 ] - [ -0.0000004400000000, 0.0000002800000000, -0.0003848900000000 ] - [ -0.0000001600000000, 0.0000001900000000, -0.0001054100000000 ] - [ -0.0000000100000000, 0.0000001900000000, -0.0002556500000000 ] - [ -0.0000008600000000, 0.0000001500000000, -0.0001826700000000 ] - [ 0.0008232200000000, -0.0000519100000000, -0.0001580500000000 ] - [ 0.0000001800000000, 0.0000000400000000, 0.0000668700000000 ]- atom: 54 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0001870900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001814800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001363100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002622900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001330400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002364300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000819200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000792800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001309300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001190700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002990800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000351700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002251500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000979400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002505300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003391400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0304479400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002342000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000977700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000649800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002727600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000016300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000649400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001843600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000234400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000682300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002727300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001229500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017436700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003990800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000617600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000684500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001572100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002739500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001033000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003692300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002264700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001705800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000554700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000611600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000525200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000670000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001070600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001768000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001921100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001693500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001948500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000079500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002368000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003002800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001131600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001734600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003790900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0425143100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002616500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000175100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001317800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000568600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100056300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001905900000000 ]- atom: 54 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0003106100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003152500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003951400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002336600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000043200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002589800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005784200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004162900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003658300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003768100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001976600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004607900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002713900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003964400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002462700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001567600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0301718400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002616100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005942600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004321100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000253900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002500300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003096700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000631500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003004900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003177700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000232300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001273900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016728900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001528900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001828500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001759700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000917700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000245000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001437700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001214100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004714700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000762200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001908400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003066500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003757500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003118700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001414700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004256100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000573000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004139100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000548400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002414300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000088900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000516600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003624000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000634800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001327000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0421844400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005058000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002313600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003819300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003057900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0101861600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000594100000000 ]- atom: 55 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000011900000000, 0.0000000800000000, 0.0000613400000000 ] - [ -0.0000010200000000, 0.0000000400000000, 0.0000662900000000 ] - [ 0.0000003900000000, -0.0000003900000000, 0.0001290900000000 ] - [ -0.0000295600000000, -0.0000001700000000, -0.0000139800000000 ] - [ 0.0000006800000000, -0.0000004100000000, 0.0000690900000000 ] - [ -0.0000000900000000, 0.0000000800000000, 0.0000116000000000 ] - [ 0.0000003400000000, -0.0000004400000000, 0.0003303200000000 ] - [ -0.0000018600000000, 0.0000000500000000, 0.0001687600000000 ] - [ 0.0000002400000000, -0.0000004300000000, 0.0001176400000000 ] - [ -0.0000010400000000, 0.0000000400000000, 0.0001290500000000 ] - [ 0.0000011800000000, -0.0000004000000000, -0.0000503000000000 ] - [ -0.0000003900000000, 0.0000000500000000, 0.0002129800000000 ] - [ 0.0000010500000000, -0.0000004300000000, 0.0000237400000000 ] - [ 0.0000003500000000, -0.0000004600000000, 0.0001485400000000 ] - [ 0.0109731500000000, -0.0002042900000000, 0.0002389200000000 ] - [ -0.0000752300000000, -0.0000015800000000, -0.0000938600000000 ] - [ -0.0000009800000000, 0.0000000300000000, 0.0000254000000000 ] - [ 0.0000000500000000, 0.0000000400000000, 0.0000137000000000 ] - [ -0.0000000500000000, -0.0000003900000000, 0.0003463100000000 ] - [ 0.0000004200000000, -0.0000004000000000, 0.0001841800000000 ] - [ 0.0000000200000000, 0.0000000100000000, 0.0001481500000000 ] - [ -0.0000006600000000, 0.0000001400000000, -0.0001240400000000 ] - [ 0.0000001600000000, 0.0000001900000000, -0.0001888000000000 ] - [ -0.0000000900000000, -0.0000000200000000, 0.0000623400000000 ] - [ 0.0000003000000000, 0.0000002300000000, -0.0001392100000000 ] - [ -0.0000007600000000, 0.0000001500000000, -0.0001915600000000 ] - [ -0.0000002600000000, 0.0000001500000000, 0.0001497900000000 ] - [ -0.0000022300000000, -0.0000000200000000, -0.0000011100000000 ] - [ -0.0000002300000000, -0.0000000200000000, 0.0000619300000000 ] - [ -0.0000001800000000, 0.0000000000000000, 0.0002743900000000 ] - [ 0.0000003300000000, 0.0000002300000000, -0.0000621600000000 ] - [ 0.0000008900000000, 0.0000002200000000, -0.0000551800000000 ] - [ 0.0000000300000000, -0.0000000200000000, 0.0000340200000000 ] - [ 0.0000000400000000, -0.0000000200000000, 0.0001507300000000 ] - [ 0.0000899600000000, 0.0000006500000000, -0.0000212100000000 ] - [ 0.0000001400000000, -0.0000000300000000, 0.0002469400000000 ] - [ 0.0000006000000000, 0.0000002200000000, -0.0003501600000000 ] - [ 0.0000001200000000, 0.0000000100000000, 0.0000457300000000 ] - [ -0.0000002400000000, 0.0000001200000000, -0.0000690500000000 ] - [ 0.0000902900000000, -0.0000002200000000, -0.0001858300000000 ] - [ 0.0000004700000000, 0.0000003000000000, -0.0002157000000000 ] - [ 0.0000009100000000, 0.0000002600000000, -0.0001904200000000 ] - [ -0.0000003300000000, 0.0000001400000000, -0.0000158200000000 ] - [ -0.0000000400000000, 0.0000000400000000, -0.0002997900000000 ] - [ -0.0000003100000000, 0.0000001500000000, 0.0000688900000000 ] - [ 0.0000006700000000, 0.0000002400000000, -0.0002927200000000 ] - [ -0.0000002100000000, -0.0000000600000000, 0.0000690500000000 ] - [ 0.0008223200000000, 0.0000521200000000, -0.0000921900000000 ] - [ -0.0000003300000000, 0.0000000800000000, 0.0001127200000000 ] - [ 0.0000001400000000, -0.0000000300000000, 0.0001769700000000 ] - [ -0.0000008500000000, 0.0000001500000000, -0.0002364900000000 ] - [ 0.0000001300000000, -0.0000000300000000, 0.0000568800000000 ] - [ -0.0000003100000000, 0.0000000200000000, 0.0002543800000000 ] - [ -0.0000001700000000, -0.0000000400000000, 0.0000055800000000 ] - [ -0.0127617200000000, 0.0001448000000000, -0.0006345300000000 ] - [ -0.0000002000000000, 0.0000001500000000, -0.0001053700000000 ] - [ 0.0008958400000000, 0.0000088700000000, -0.0002688900000000 ] - [ -0.0000001100000000, 0.0000001000000000, -0.0001826200000000 ] - [ -0.0000001100000000, 0.0000001900000000, -0.0001813700000000 ] - [ -0.0000004700000000, -0.0000000100000000, 0.0000669100000000 ]- atom: 55 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0001876100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001806800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001192400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002791000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001784400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002362700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000832100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000790800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001297400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001189200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002975600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000343400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002236800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000977800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0304218700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000291900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002227300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002337000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000982700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000633700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002700800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000012800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000658000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001880900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000167100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000665100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002739500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001242200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001879800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003960000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000610000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000686800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001603100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002748000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001408000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003724400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002254000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001690400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000538300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000238700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000940500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000672100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001087100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001820800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001945100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001705600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001904900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100715800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002348300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003017700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001120400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001826600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003769800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001260100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0429135000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000185600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014216400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000599700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000542600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001897700000000 ]- atom: 55 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0003113100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003151300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003787400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002506000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003167300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002594700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005778900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004169300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003653600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003774400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001969200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004607100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002707400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003968300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0301992500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001622000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002729700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002615100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005944600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004315600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000270900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002504400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003110300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000639700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002608600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003176900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000233500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001267000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000648000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001538500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001837800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001766700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000925100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000244500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001815600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001200500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004721000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000749000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001905200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003465100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003363200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003123000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001418700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004206500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000571400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004144300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000533800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0101194100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000081500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000509400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003619600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000702700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001339200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001145100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0417864000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002320500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0019842400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003060400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003084600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000586700000000 ]- atom: 56 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000003900000000, 0.0000000300000000, 0.0000611400000000 ] - [ 0.0000000000000000, -0.0000000100000000, 0.0000660800000000 ] - [ 0.0000014000000000, -0.0000004400000000, 0.0001289000000000 ] - [ -0.0000002500000000, 0.0000000200000000, -0.0000142600000000 ] - [ 0.0000012400000000, -0.0000004600000000, 0.0000689000000000 ] - [ -0.0000000800000000, 0.0000000300000000, 0.0000114000000000 ] - [ -0.0001877200000000, 0.0000015800000000, 0.0003311100000000 ] - [ 0.0107300200000000, -0.0002056200000000, -0.0000717600000000 ] - [ 0.0000227600000000, -0.0000005800000000, 0.0001173400000000 ] - [ -0.0000001300000000, -0.0000000100000000, 0.0001288600000000 ] - [ 0.0000006400000000, -0.0000004500000000, -0.0000504900000000 ] - [ 0.0000005400000000, 0.0000000100000000, 0.0002127900000000 ] - [ 0.0000006000000000, -0.0000004800000000, 0.0000235400000000 ] - [ 0.0000004700000000, -0.0000005100000000, 0.0001483400000000 ] - [ 0.0000013800000000, -0.0000004800000000, -0.0000021200000000 ] - [ -0.0000001400000000, -0.0000000300000000, -0.0000910700000000 ] - [ 0.0000002400000000, -0.0000000200000000, 0.0000252000000000 ] - [ -0.0000005800000000, 0.0000000000000000, 0.0000135000000000 ] - [ 0.0000006600000000, -0.0000004400000000, 0.0003461200000000 ] - [ 0.0000013600000000, -0.0000004500000000, 0.0001839700000000 ] - [ 0.0000006100000000, -0.0000000400000000, 0.0001482200000000 ] - [ 0.0000011500000000, 0.0000001000000000, -0.0001239700000000 ] - [ 0.0000001000000000, 0.0000001300000000, -0.0001887300000000 ] - [ 0.0000006600000000, -0.0000000700000000, 0.0000624200000000 ] - [ 0.0000000700000000, 0.0000001800000000, -0.0001391600000000 ] - [ 0.0000001900000000, 0.0000001000000000, -0.0001914700000000 ] - [ 0.0000002000000000, 0.0000001000000000, 0.0001498600000000 ] - [ 0.0000008600000000, -0.0000000600000000, -0.0000011100000000 ] - [ 0.0000006300000000, -0.0000000600000000, 0.0000619900000000 ] - [ 0.0000005800000000, -0.0000000400000000, 0.0002744500000000 ] - [ -0.0000004800000000, 0.0000001900000000, -0.0000621000000000 ] - [ 0.0008946400000000, -0.0000109800000000, -0.0000471500000000 ] - [ 0.0000010100000000, -0.0000000700000000, 0.0000341000000000 ] - [ -0.0000717400000000, -0.0000000500000000, 0.0001509200000000 ] - [ -0.0000000400000000, -0.0000000200000000, -0.0000214500000000 ] - [ -0.0000001800000000, -0.0000000800000000, 0.0002470400000000 ] - [ 0.0000002700000000, 0.0000003200000000, -0.0003501000000000 ] - [ 0.0008224600000000, 0.0000523300000000, 0.0000224300000000 ] - [ 0.0000006400000000, 0.0000000700000000, -0.0000689900000000 ] - [ 0.0000005700000000, -0.0000000300000000, -0.0001849800000000 ] - [ 0.0000000100000000, 0.0000002500000000, -0.0002156400000000 ] - [ -0.0000003100000000, 0.0000002200000000, -0.0001903500000000 ] - [ 0.0000001700000000, 0.0000000900000000, -0.0000157400000000 ] - [ 0.0000001700000000, 0.0000000900000000, -0.0002997000000000 ] - [ 0.0000005200000000, 0.0000001000000000, 0.0000689600000000 ] - [ 0.0000000400000000, 0.0000001900000000, -0.0002926500000000 ] - [ 0.0000000700000000, -0.0000001100000000, 0.0000691100000000 ] - [ -0.0000002900000000, -0.0000000700000000, -0.0001154800000000 ] - [ 0.0000003400000000, 0.0000000300000000, 0.0001127900000000 ] - [ 0.0000005100000000, -0.0000000800000000, 0.0001770400000000 ] - [ 0.0000005600000000, 0.0000001000000000, -0.0002364000000000 ] - [ 0.0000007400000000, -0.0000000800000000, 0.0000569600000000 ] - [ -0.0000018600000000, -0.0000000600000000, 0.0002544300000000 ] - [ 0.0000004600000000, -0.0000000800000000, 0.0000056500000000 ] - [ 0.0000000900000000, 0.0000001800000000, -0.0003847600000000 ] - [ -0.0121559500000000, 0.0001645100000000, 0.0001487500000000 ] - [ 0.0000011100000000, 0.0000000900000000, -0.0002555300000000 ] - [ -0.0000003500000000, 0.0000000600000000, -0.0001825500000000 ] - [ 0.0000002200000000, 0.0000001400000000, -0.0001812900000000 ] - [ -0.0000712600000000, 0.0000007300000000, 0.0000667000000000 ]- atom: 56 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0001918000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001855900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001242000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002671300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001837500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002413100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003194000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0303051100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001458000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001240300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003032000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000387600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002299100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001032100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002549100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003437900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002278600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002398600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000938300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000687400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002743300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000028800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000619100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001891500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000126000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000638900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002769200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001262600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001886500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004009100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000636100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016690400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001608400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003296800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001041600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003737900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002294200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100503000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000575400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000590700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000889700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000648300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001123300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001722500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001959500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001668000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001968200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000114000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002387500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003052100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001088700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001849000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003802300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001319900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002586100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0421901600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001283200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000550500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000542400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002448600000000 ]- atom: 56 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0003143200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003183500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003823100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002374800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003204700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002628700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003443600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0301982400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003797400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003808000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002007500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004634200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002750700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004008400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002496900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001604600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002762000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002662700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005971700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004349400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000242900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002535000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003122300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000671500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002618800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003209600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000202300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001296000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000673700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001515900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001841800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0017295600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000944300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000285900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001440800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001179700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004680400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0101404100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001926500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003083500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003386500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003135600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001452800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004292000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000603200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004159700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000558900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002438700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000103800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000478200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003655700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000733300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001319400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001165100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005083700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0423333300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003843500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003066800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003109700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001125800000000 ]- atom: 57 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000000400000000, 0.0000000400000000, 0.0000611100000000 ] - [ -0.0000002300000000, 0.0000000000000000, 0.0000660600000000 ] - [ 0.0000013100000000, -0.0000004300000000, 0.0001288700000000 ] - [ 0.0000005300000000, 0.0000000300000000, -0.0000142800000000 ] - [ 0.0000006400000000, -0.0000004600000000, 0.0000688700000000 ] - [ 0.0000004400000000, 0.0000000300000000, 0.0000113800000000 ] - [ 0.0000012500000000, -0.0000004700000000, 0.0003301100000000 ] - [ -0.0000001700000000, 0.0000000200000000, 0.0001685500000000 ] - [ 0.0000006900000000, -0.0000004800000000, 0.0001174200000000 ] - [ -0.0000002900000000, -0.0000000100000000, 0.0001288200000000 ] - [ 0.0000228100000000, -0.0000005400000000, -0.0000506000000000 ] - [ 0.0000002000000000, 0.0000000000000000, 0.0002127700000000 ] - [ 0.0000000400000000, -0.0000004800000000, 0.0000235200000000 ] - [ 0.0000009800000000, -0.0000005000000000, 0.0001483200000000 ] - [ -0.0001879800000000, 0.0000015900000000, -0.0000011300000000 ] - [ 0.0107296800000000, -0.0002056400000000, -0.0003314000000000 ] - [ -0.0000002000000000, -0.0000000100000000, 0.0000251900000000 ] - [ -0.0000002600000000, 0.0000000000000000, 0.0000134700000000 ] - [ 0.0000013200000000, -0.0000004300000000, 0.0003461000000000 ] - [ 0.0000013400000000, -0.0000004400000000, 0.0001839500000000 ] - [ -0.0000000500000000, -0.0000000300000000, 0.0001481900000000 ] - [ 0.0000003700000000, 0.0000001100000000, -0.0001239800000000 ] - [ 0.0000001100000000, 0.0000001400000000, -0.0001887600000000 ] - [ 0.0000008000000000, -0.0000000600000000, 0.0000624000000000 ] - [ -0.0000000600000000, 0.0000001900000000, -0.0001391800000000 ] - [ 0.0000002100000000, 0.0000001100000000, -0.0001914900000000 ] - [ 0.0000002300000000, 0.0000001100000000, 0.0001498400000000 ] - [ -0.0000717800000000, 0.0000007500000000, -0.0000014400000000 ] - [ 0.0000004600000000, -0.0000000600000000, 0.0000619800000000 ] - [ -0.0000000600000000, -0.0000000400000000, 0.0002744300000000 ] - [ -0.0000000100000000, 0.0000001900000000, -0.0000621200000000 ] - [ 0.0000000400000000, 0.0000001800000000, -0.0000551500000000 ] - [ 0.0000008800000000, -0.0000000700000000, 0.0000340900000000 ] - [ 0.0000006200000000, -0.0000000600000000, 0.0001507700000000 ] - [ -0.0000018500000000, -0.0000000400000000, -0.0000214900000000 ] - [ 0.0000007300000000, -0.0000000700000000, 0.0002470100000000 ] - [ -0.0000005200000000, 0.0000001800000000, -0.0003501300000000 ] - [ 0.0000005900000000, -0.0000000200000000, 0.0000457700000000 ] - [ 0.0000004500000000, 0.0000000800000000, -0.0000690200000000 ] - [ 0.0008227300000000, 0.0000523300000000, -0.0002083700000000 ] - [ 0.0000002500000000, 0.0000002500000000, -0.0002156700000000 ] - [ 0.0000001100000000, 0.0000002200000000, -0.0001903800000000 ] - [ 0.0000005300000000, 0.0000001000000000, -0.0000157500000000 ] - [ 0.0000001900000000, 0.0000000900000000, -0.0002997200000000 ] - [ 0.0000011200000000, 0.0000001000000000, 0.0000689400000000 ] - [ 0.0000002700000000, 0.0000003500000000, -0.0002926700000000 ] - [ 0.0000004600000000, -0.0000001000000000, 0.0000690900000000 ] - [ -0.0000718200000000, -0.0000000400000000, -0.0001153700000000 ] - [ 0.0000000000000000, 0.0000000300000000, 0.0001127500000000 ] - [ -0.0000003200000000, -0.0000000800000000, 0.0001770200000000 ] - [ 0.0000001500000000, 0.0000001100000000, -0.0002364200000000 ] - [ 0.0000004500000000, -0.0000000700000000, 0.0000569300000000 ] - [ 0.0000004400000000, -0.0000000300000000, 0.0002544000000000 ] - [ 0.0000006100000000, -0.0000000800000000, 0.0000056200000000 ] - [ 0.0008960600000000, -0.0000109900000000, -0.0003767600000000 ] - [ 0.0000011100000000, 0.0000001000000000, -0.0001053100000000 ] - [ -0.0121557800000000, 0.0001641700000000, -0.0000002100000000 ] - [ -0.0000003200000000, 0.0000000600000000, -0.0001825900000000 ] - [ 0.0000006500000000, 0.0000001400000000, -0.0001813000000000 ] - [ -0.0000002000000000, -0.0000000500000000, 0.0000669800000000 ]- atom: 57 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0001920900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001857400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001241900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002659600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001838800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002411000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000775000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000844900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001349200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001241000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003142000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000399200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002304000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001034200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000129900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0300446900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002280700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002393100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000932900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000692200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002740500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000024700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000614100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001886400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000122400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000643300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002761300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001766500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001885700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004011900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000652800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000718300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001609200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002768800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001048700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003741100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002240600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001728800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000572700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0098189100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000883600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000637800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001108400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001731800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001947800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001715200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001971500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000629600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002391700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003034600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001095400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001839800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003811400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001332900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013432700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000208900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0423381100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000541900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000555100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001931600000000 ]- atom: 57 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0003145000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003183900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003822200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002362800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003205000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002625700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005817000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004204400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003687000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003806900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002116500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004644000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002754000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004009700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000121700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0304572400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002762900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002655500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005976300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004353400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000253200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002537100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003121900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000671200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002618700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003212800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000201700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001807600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000678700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001517300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001853800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001782600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000951600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000218300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001442600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001169300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004727000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000773700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001917800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0103707200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003388000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003139600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001446800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004289900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000598800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004105800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000558000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002946800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000103000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000486800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003658900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000731700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001316900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001174900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0020627400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002345400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0421865700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003072500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003101300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000617500000000 ]- atom: 58 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000017000000000, 0.0000000800000000, 0.0000613000000000 ] - [ -0.0000000900000000, 0.0000000400000000, 0.0000662500000000 ] - [ -0.0002753700000000, -0.0000005200000000, 0.0001260700000000 ] - [ -0.0000000600000000, 0.0000000700000000, -0.0000140800000000 ] - [ 0.0000004700000000, -0.0000004100000000, 0.0000690700000000 ] - [ -0.0000288700000000, -0.0000001600000000, 0.0000116800000000 ] - [ 0.0000012000000000, -0.0000004300000000, 0.0003303000000000 ] - [ -0.0000000600000000, 0.0000000600000000, 0.0001687300000000 ] - [ 0.0000005200000000, -0.0000004300000000, 0.0001176100000000 ] - [ -0.0000001800000000, 0.0000000400000000, 0.0001290200000000 ] - [ 0.0000010600000000, -0.0000004000000000, -0.0000503300000000 ] - [ -0.0000011600000000, 0.0000000500000000, 0.0002129700000000 ] - [ 0.0000002400000000, -0.0000004300000000, 0.0000237000000000 ] - [ 0.0109614500000000, -0.0002043000000000, 0.0003895500000000 ] - [ 0.0000009600000000, -0.0000004400000000, -0.0000019400000000 ] - [ -0.0000008200000000, 0.0000000200000000, -0.0000909000000000 ] - [ 0.0000026900000000, 0.0000000400000000, 0.0000234800000000 ] - [ 0.0000012700000000, 0.0000000500000000, 0.0000136600000000 ] - [ 0.0000009600000000, -0.0000003900000000, 0.0003462900000000 ] - [ 0.0000005700000000, -0.0000004000000000, 0.0001841400000000 ] - [ -0.0000004500000000, 0.0000000200000000, 0.0001481200000000 ] - [ -0.0000000500000000, 0.0000001500000000, -0.0001240800000000 ] - [ 0.0000006400000000, 0.0000001900000000, -0.0001888300000000 ] - [ 0.0008154900000000, 0.0000521400000000, 0.0000861000000000 ] - [ -0.0000006000000000, 0.0000002300000000, -0.0001392600000000 ] - [ 0.0000004200000000, 0.0000000600000000, -0.0001915900000000 ] - [ -0.0000002300000000, 0.0000001500000000, 0.0001497400000000 ] - [ -0.0000002600000000, -0.0000000100000000, -0.0000012200000000 ] - [ -0.0000004500000000, -0.0000000100000000, 0.0000618800000000 ] - [ -0.0000009400000000, 0.0000000100000000, 0.0002743600000000 ] - [ 0.0000002100000000, 0.0000002400000000, -0.0000621900000000 ] - [ 0.0000003000000000, 0.0000002300000000, -0.0000552200000000 ] - [ -0.0000003500000000, -0.0000000200000000, 0.0000339900000000 ] - [ 0.0000000900000000, -0.0000000200000000, 0.0001506900000000 ] - [ -0.0000005200000000, 0.0000000400000000, -0.0000215500000000 ] - [ 0.0000000800000000, -0.0000000200000000, 0.0002469100000000 ] - [ 0.0000000300000000, 0.0000002200000000, -0.0003502000000000 ] - [ -0.0000002400000000, 0.0000000200000000, 0.0000456900000000 ] - [ 0.0000002800000000, 0.0000001200000000, -0.0000690900000000 ] - [ -0.0000002800000000, 0.0000000300000000, -0.0001850800000000 ] - [ -0.0000359100000000, 0.0000007800000000, -0.0002164300000000 ] - [ 0.0000004200000000, 0.0000002700000000, -0.0001904500000000 ] - [ -0.0000001000000000, 0.0000001400000000, -0.0000158600000000 ] - [ -0.0000000600000000, 0.0000001400000000, -0.0002998200000000 ] - [ -0.0000001600000000, 0.0000001500000000, 0.0000688500000000 ] - [ 0.0000000900000000, 0.0000002400000000, -0.0002927500000000 ] - [ -0.0000008100000000, -0.0000000500000000, 0.0000690200000000 ] - [ 0.0000003200000000, -0.0000000100000000, -0.0001155800000000 ] - [ 0.0000876000000000, 0.0000007100000000, 0.0001130200000000 ] - [ 0.0000001300000000, -0.0000000300000000, 0.0001769300000000 ] - [ -0.0000000700000000, 0.0000001500000000, -0.0002365200000000 ] - [ 0.0012068500000000, 0.0000058700000000, 0.0000444200000000 ] - [ -0.0000002400000000, 0.0000000200000000, 0.0002543400000000 ] - [ -0.0000003500000000, -0.0000000300000000, 0.0000055500000000 ] - [ 0.0000000300000000, 0.0000002400000000, -0.0003848600000000 ] - [ -0.0000007100000000, 0.0000001500000000, -0.0001054100000000 ] - [ -0.0000004500000000, 0.0000001500000000, -0.0002556400000000 ] - [ -0.0127290500000000, 0.0001450100000000, -0.0004300900000000 ] - [ -0.0000037500000000, 0.0000001900000000, -0.0001813200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000668700000000 ]- atom: 58 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0001900200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001835100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000976300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002650000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001809500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002562400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000798900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000823900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001327300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001217800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003007000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000380300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002274300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0305812700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002521300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003422600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002250200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002362800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000959300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000665100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002738100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000006500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000622500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0102579300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000129900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000719400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002741200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001237700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001856700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003999100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000640400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000719100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001583000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002759300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001041000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003717200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002237200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001712600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000563200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000597900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000537000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000646900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001092000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001744700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001932100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001660700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001953700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000100700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002752000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003019600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001111400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017972200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003806600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001319500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002582100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000191800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001305700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0427081500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000515000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001919800000000 ]- atom: 58 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0003133900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003176900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001569900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002371000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003193600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002790200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005810200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004200400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003683300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003803800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001999600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004644000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002745600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0300559400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002484300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001605500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002710800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002642000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005968000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004346700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000212900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002484700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003175600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0099464100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002662300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003103900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000255200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001252800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000616500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001479700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001892000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001831200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000885100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000261100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001480200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001226500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004775900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000805400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001953700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003111500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003796900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003170600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001405100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004250600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000541300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004205200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000605200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002405000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000511100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000524300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003614200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0017329800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001274000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001212600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005125400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002297300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003803300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0419899900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003108900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000576300000000 ]- atom: 59 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000004200000000, 0.0000000400000000, 0.0000611200000000 ] - [ 0.0000001800000000, 0.0000000000000000, 0.0000660600000000 ] - [ -0.0001874500000000, 0.0000016300000000, 0.0001298400000000 ] - [ 0.0000000300000000, 0.0000000200000000, -0.0000142800000000 ] - [ 0.0000228300000000, -0.0000005500000000, 0.0000687900000000 ] - [ -0.0000002100000000, 0.0000000300000000, 0.0000113600000000 ] - [ 0.0000006600000000, -0.0000004700000000, 0.0003301000000000 ] - [ -0.0000006300000000, 0.0000000200000000, 0.0001685500000000 ] - [ 0.0000014000000000, -0.0000004700000000, 0.0001174300000000 ] - [ -0.0000002600000000, 0.0000000000000000, 0.0001288200000000 ] - [ 0.0000006300000000, -0.0000004400000000, -0.0000505200000000 ] - [ -0.0000002000000000, 0.0000000100000000, 0.0002127800000000 ] - [ 0.0000005400000000, -0.0000004800000000, 0.0000235200000000 ] - [ 0.0000018700000000, -0.0000005100000000, 0.0001483500000000 ] - [ 0.0000012800000000, -0.0000004800000000, -0.0000021400000000 ] - [ -0.0000001900000000, -0.0000000200000000, -0.0000910900000000 ] - [ 0.0107310100000000, -0.0002056500000000, -0.0002151500000000 ] - [ -0.0000002900000000, 0.0000000000000000, 0.0000134900000000 ] - [ 0.0000013400000000, -0.0000004300000000, 0.0003460800000000 ] - [ 0.0000013200000000, -0.0000004400000000, 0.0001839500000000 ] - [ -0.0000000500000000, -0.0000000300000000, 0.0001482400000000 ] - [ 0.0000001700000000, 0.0000001100000000, -0.0001240500000000 ] - [ 0.0000000800000000, 0.0000001400000000, -0.0001887100000000 ] - [ 0.0000011100000000, -0.0000000600000000, 0.0000623400000000 ] - [ 0.0000003000000000, 0.0000003400000000, -0.0001391100000000 ] - [ -0.0000005000000000, 0.0000001100000000, -0.0001915300000000 ] - [ 0.0000011300000000, 0.0000001100000000, 0.0001497800000000 ] - [ 0.0000004900000000, -0.0000000500000000, -0.0000011800000000 ] - [ -0.0000718400000000, 0.0000007400000000, 0.0000616100000000 ] - [ -0.0000000700000000, -0.0000000400000000, 0.0002744800000000 ] - [ 0.0000001000000000, 0.0000001900000000, -0.0000620500000000 ] - [ 0.0000000300000000, 0.0000001800000000, -0.0000550900000000 ] - [ 0.0000014600000000, -0.0000000700000000, 0.0000340200000000 ] - [ 0.0000008200000000, -0.0000000600000000, 0.0001507400000000 ] - [ 0.0000001100000000, -0.0000000100000000, -0.0000214200000000 ] - [ -0.0000003200000000, -0.0000000700000000, 0.0002469300000000 ] - [ -0.0000003500000000, 0.0000001800000000, -0.0003500700000000 ] - [ 0.0000006100000000, -0.0000000300000000, 0.0000458300000000 ] - [ 0.0000004800000000, 0.0000000800000000, -0.0000689600000000 ] - [ 0.0000006500000000, -0.0000000200000000, -0.0001849600000000 ] - [ 0.0008904800000000, -0.0000108600000000, -0.0002076500000000 ] - [ 0.0000000000000000, 0.0000002200000000, -0.0001903200000000 ] - [ 0.0000003200000000, 0.0000001000000000, -0.0000158300000000 ] - [ 0.0000005200000000, 0.0000000900000000, -0.0002997800000000 ] - [ 0.0000002300000000, 0.0000001000000000, 0.0000688900000000 ] - [ -0.0000000700000000, 0.0000002000000000, -0.0002926200000000 ] - [ 0.0000004100000000, -0.0000001000000000, 0.0000691200000000 ] - [ 0.0000004900000000, -0.0000000600000000, -0.0001155500000000 ] - [ -0.0000000800000000, 0.0000000300000000, 0.0001128200000000 ] - [ 0.0000007300000000, -0.0000000700000000, 0.0001769800000000 ] - [ 0.0000003700000000, 0.0000001100000000, -0.0002364900000000 ] - [ -0.0000694600000000, -0.0000001100000000, 0.0000570100000000 ] - [ 0.0000005000000000, -0.0000000300000000, 0.0002544700000000 ] - [ 0.0008238400000000, 0.0000523000000000, -0.0000176900000000 ] - [ 0.0000002100000000, 0.0000001900000000, -0.0003847300000000 ] - [ 0.0000005300000000, 0.0000001100000000, -0.0001053600000000 ] - [ 0.0000006500000000, 0.0000001100000000, -0.0002556100000000 ] - [ -0.0000036100000000, 0.0000000800000000, -0.0001825700000000 ] - [ -0.0121552300000000, 0.0001640900000000, 0.0000741300000000 ] - [ 0.0000004900000000, -0.0000000400000000, 0.0000668900000000 ]- atom: 59 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0001920500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001856400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001160200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002671000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001946800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002411100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000775100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000851500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001351900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001240500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003034500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000399900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002299700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001022300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002547200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003439600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0301613700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002392500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000931200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000691200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002743900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000026100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000616400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001881200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000175200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000652700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002760200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001260900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002392500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004007600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000650200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000715200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001606900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002772000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001053400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003729800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002238100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001728900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000578400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000579000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015144800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000635400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001104700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001727300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001951900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001661800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001966600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000118500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002386800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003047400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001095500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002312100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003812500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100117700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002577200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000214200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001293500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000492700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0422685500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001942700000000 ]- atom: 59 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0003144600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003182500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001465000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002372600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003312600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002623300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005815700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004209300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003688900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003805600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002007600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004643800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002748700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003998100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002492800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001603500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0303425400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002654700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005977000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004350300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000245500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002538200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003120500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000663400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002565400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003201000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000205300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001298500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001184600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001522400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001852200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001781600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000947000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000218900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001449800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001181900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004732800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000776900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001922600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003091000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0018948800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003144300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001444400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004290600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000597300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004162800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000558400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002447000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000098200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000478700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003653500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001190400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001314900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0101806000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005089200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002346100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003837200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003124500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0422650100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000624800000000 ]- atom: 60 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000002600000000, -0.0000000100000000, 0.0000611800000000 ] - [ 0.0000005100000000, -0.0000000500000000, 0.0000661200000000 ] - [ 0.0000006500000000, -0.0000004800000000, 0.0001289300000000 ] - [ 0.0000219200000000, 0.0000000800000000, -0.0000143200000000 ] - [ 0.0000010900000000, -0.0000004900000000, 0.0000689400000000 ] - [ -0.0000001200000000, -0.0000000100000000, 0.0000114300000000 ] - [ 0.0000014400000000, -0.0000005300000000, 0.0003301700000000 ] - [ -0.0001878800000000, -0.0000020700000000, 0.0001695200000000 ] - [ 0.0107292300000000, 0.0002050800000000, -0.0001227900000000 ] - [ 0.0000004300000000, -0.0000000500000000, 0.0001288900000000 ] - [ 0.0000006800000000, -0.0000004800000000, -0.0000504600000000 ] - [ -0.0000001700000000, -0.0000000300000000, 0.0002128400000000 ] - [ 0.0000011600000000, -0.0000005100000000, 0.0000235700000000 ] - [ 0.0000007200000000, -0.0000005500000000, 0.0001484100000000 ] - [ 0.0000006500000000, -0.0000005300000000, -0.0000020800000000 ] - [ 0.0000005600000000, -0.0000000700000000, -0.0000910300000000 ] - [ 0.0000005400000000, -0.0000000600000000, 0.0000252500000000 ] - [ -0.0000001500000000, -0.0000000400000000, 0.0000135500000000 ] - [ 0.0000007300000000, -0.0000004800000000, 0.0003461500000000 ] - [ 0.0000002800000000, -0.0000004900000000, 0.0001840200000000 ] - [ 0.0000004200000000, -0.0000000700000000, 0.0001482800000000 ] - [ 0.0000003700000000, 0.0000000600000000, -0.0001239700000000 ] - [ 0.0000001800000000, 0.0000001000000000, -0.0001886600000000 ] - [ 0.0000005000000000, -0.0000001000000000, 0.0000624300000000 ] - [ 0.0000001500000000, 0.0000001400000000, -0.0001390900000000 ] - [ 0.0000007200000000, 0.0000000700000000, -0.0001914600000000 ] - [ -0.0000004500000000, 0.0000000600000000, 0.0001498600000000 ] - [ 0.0000014800000000, -0.0000001000000000, -0.0000011000000000 ] - [ 0.0000005600000000, -0.0000001000000000, 0.0000620000000000 ] - [ 0.0000004200000000, -0.0000000800000000, 0.0002745200000000 ] - [ 0.0000002800000000, 0.0000001400000000, -0.0000620200000000 ] - [ -0.0000021700000000, 0.0000001700000000, -0.0000550600000000 ] - [ 0.0000005400000000, -0.0000001100000000, 0.0000341000000000 ] - [ 0.0000005100000000, -0.0000001000000000, 0.0001508100000000 ] - [ 0.0000006700000000, -0.0000002000000000, -0.0000213600000000 ] - [ 0.0000014600000000, -0.0000001100000000, 0.0002470200000000 ] - [ 0.0008224100000000, -0.0000522400000000, -0.0003734000000000 ] - [ 0.0008911700000000, 0.0000110100000000, 0.0000537400000000 ] - [ 0.0000002100000000, 0.0000000300000000, -0.0000689200000000 ] - [ 0.0000005200000000, -0.0000000600000000, -0.0001849100000000 ] - [ -0.0000003300000000, 0.0000002200000000, -0.0002155600000000 ] - [ 0.0000003000000000, 0.0000001800000000, -0.0001902800000000 ] - [ 0.0000005400000000, 0.0000000500000000, -0.0000157500000000 ] - [ -0.0000715900000000, -0.0000007200000000, -0.0002999900000000 ] - [ 0.0000002400000000, 0.0000000600000000, 0.0000689800000000 ] - [ 0.0000002100000000, 0.0000001600000000, -0.0002925800000000 ] - [ 0.0000000000000000, -0.0000001500000000, 0.0000691600000000 ] - [ 0.0000005200000000, -0.0000001000000000, -0.0001154700000000 ] - [ 0.0000005600000000, -0.0000000100000000, 0.0001128600000000 ] - [ 0.0000009000000000, -0.0000001200000000, 0.0001770700000000 ] - [ 0.0000005700000000, 0.0000000600000000, -0.0002364000000000 ] - [ 0.0000006900000000, -0.0000001200000000, 0.0000569500000000 ] - [ -0.0000001400000000, -0.0000000800000000, 0.0002545100000000 ] - [ 0.0000003600000000, -0.0000001200000000, 0.0000057100000000 ] - [ -0.0000003900000000, 0.0000001500000000, -0.0003846900000000 ] - [ -0.0000717500000000, 0.0000000600000000, -0.0001051900000000 ] - [ -0.0000006100000000, 0.0000000600000000, -0.0002555400000000 ] - [ -0.0000000700000000, 0.0000000200000000, -0.0001825000000000 ] - [ 0.0000004600000000, 0.0000001000000000, -0.0001812800000000 ] - [ -0.0121529500000000, -0.0001564600000000, 0.0003189000000000 ]- atom: 60 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0001921300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001852800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001243300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002774800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001835700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002414600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000788400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001565500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0302553500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001235900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003031900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000391900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002291800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001030000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002547700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003438500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002277900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002386800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000932700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000696500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002744000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000026200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000614300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001891700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000124700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000647800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002763600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001262600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001890400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004013600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000648900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000711100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001618900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002779800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000997600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003739600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0096548500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017616400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000575500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000584100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000891000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000637400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001121200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001219100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001960700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001662200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001968800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000121400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002397900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003047900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001093400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001843400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003805900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001330800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002588500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000732800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001287100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000543200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000535700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0420199100000000 ]- atom: 60 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0003147300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003181200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003825000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002480200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003204200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002631700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005806600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001839300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0302505800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003804200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002009000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004638600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002744600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004007500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002496300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001605800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002762500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002651800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005979200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004360000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000247400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002533700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003122300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000673100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002616400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003202300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000206100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001298600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000678700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001515500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001850700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001778000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000956300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000213500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001393400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001176000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0105367500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016199500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001922400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003085400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003381700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003141300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001452600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004795400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000606600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004160600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000555100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002448600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000109800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000480500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003653400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000728700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001321800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001172300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005075600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002847100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003841600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003070400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003116700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0425005500000000 ]