# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/79993750-758f-4a49-88e9-ca204d4310dd/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 LiB6C / Amm2 (38) / materials id 569450](https://mdr.nims.go.jp/datasets/6b34ba93-4d4f-45dc-b841-5c41c61a5758) ## 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: "Amm2" number: 38 Hall_symbol: "A 2 -2"primitive_matrix:- [ 1.000000000000000, 0.000000000000000, 0.000000000000000 ]- [ 0.000000000000000, 0.500000000000000, -0.500000000000000 ]- [ 0.000000000000000, 0.500000000000000, 0.500000000000000 ]supercell_matrix:- [ 2, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 2 ]primitive_cell: lattice: - [ 4.686473680000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 4.481259425000000, 2.814996325000000 ] # b - [ 0.000000000000000, -4.481259425000000, 2.814996325000000 ] # c points: - symbol: Li # 1 coordinates: [ 0.500000000000000, 0.885207180000000, 0.473061880000000 ] mass: 6.941000 - symbol: Li # 2 coordinates: [ 0.500000000000000, 0.473061880000000, 0.885207180000000 ] mass: 6.941000 - symbol: B # 3 coordinates: [ 0.183107610000000, 0.742656570000000, 0.742656570000000 ] mass: 10.811000 - symbol: B # 4 coordinates: [ 0.306571300000000, 0.902079690000000, 0.098268290000000 ] mass: 10.811000 - symbol: B # 5 coordinates: [ 0.306571300000000, 0.098268290000000, 0.902079690000000 ] mass: 10.811000 - symbol: B # 6 coordinates: [ 0.816441930000000, 0.256319790000000, 0.256319790000000 ] mass: 10.811000 - symbol: B # 7 coordinates: [ 0.000000000000000, 0.006510780000000, 0.667762520000000 ] mass: 10.811000 - symbol: B # 8 coordinates: [ 0.693428700000000, 0.098268290000000, 0.902079690000000 ] mass: 10.811000 - symbol: B # 9 coordinates: [ 0.000000000000000, 0.330491910000000, 0.992483870000000 ] mass: 10.811000 - symbol: B # 10 coordinates: [ 0.000000000000000, 0.667762520000000, 0.006510780000000 ] mass: 10.811000 - symbol: B # 11 coordinates: [ 0.693428700000000, 0.902079690000000, 0.098268290000000 ] mass: 10.811000 - symbol: B # 12 coordinates: [ 0.816892390000000, 0.742656570000000, 0.742656570000000 ] mass: 10.811000 - symbol: B # 13 coordinates: [ 0.000000000000000, 0.992483870000000, 0.330491910000000 ] mass: 10.811000 - symbol: B # 14 coordinates: [ 0.183558070000000, 0.256319790000000, 0.256319790000000 ] mass: 10.811000 - symbol: C # 15 coordinates: [ 0.353207590000000, 0.498216570000000, 0.498216570000000 ] mass: 12.010700 - symbol: C # 16 coordinates: [ 0.646792410000000, 0.498216570000000, 0.498216570000000 ] mass: 12.010700 reciprocal_lattice: # without 2pi - [ 0.213380052525975, 0.000000000000000, 0.000000000000000 ] # a* - [ 0.000000000000000, 0.111575776490557, 0.177620125312242 ] # b* - [ 0.000000000000000, -0.111575776490557, 0.177620125312242 ] # c*unit_cell: lattice: - [ 4.686473680000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 8.962518850000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 5.629992650000000 ] # c points: - symbol: Li # 1 coordinates: [ 0.500000000000000, 0.206072650000000, 0.679134530000000 ] mass: 6.941000 reduced_to: 1 - symbol: Li # 2 coordinates: [ 0.500000000000000, 0.793927350000000, 0.679134530000000 ] mass: 6.941000 reduced_to: 2 - symbol: Li # 3 coordinates: [ 0.500000000000000, 0.706072650000000, 0.179134530000000 ] mass: 6.941000 reduced_to: 1 - symbol: Li # 4 coordinates: [ 0.500000000000000, 0.293927350000000, 0.179134530000000 ] mass: 6.941000 reduced_to: 2 - symbol: B # 5 coordinates: [ 0.183107610000000, 0.000000000000000, 0.742656570000000 ] mass: 10.811000 reduced_to: 5 - symbol: B # 6 coordinates: [ 0.306571300000000, 0.401905700000000, 0.500173990000000 ] mass: 10.811000 reduced_to: 6 - symbol: B # 7 coordinates: [ 0.306571300000000, 0.598094300000000, 0.500173990000000 ] mass: 10.811000 reduced_to: 7 - symbol: B # 8 coordinates: [ 0.816441930000000, 0.000000000000000, 0.256319790000000 ] mass: 10.811000 reduced_to: 8 - symbol: B # 9 coordinates: [ 0.000000000000000, 0.669374130000000, 0.337136650000000 ] mass: 10.811000 reduced_to: 9 - symbol: B # 10 coordinates: [ 0.693428700000000, 0.598094300000000, 0.500173990000000 ] mass: 10.811000 reduced_to: 10 - symbol: B # 11 coordinates: [ 0.000000000000000, 0.669004020000000, 0.661487890000000 ] mass: 10.811000 reduced_to: 11 - symbol: B # 12 coordinates: [ 0.000000000000000, 0.330625870000000, 0.337136650000000 ] mass: 10.811000 reduced_to: 12 - symbol: B # 13 coordinates: [ 0.693428700000000, 0.401905700000000, 0.500173990000000 ] mass: 10.811000 reduced_to: 13 - symbol: B # 14 coordinates: [ 0.816892390000000, 0.000000000000000, 0.742656570000000 ] mass: 10.811000 reduced_to: 14 - symbol: B # 15 coordinates: [ 0.000000000000000, 0.330995980000000, 0.661487890000000 ] mass: 10.811000 reduced_to: 15 - symbol: B # 16 coordinates: [ 0.183558070000000, 0.000000000000000, 0.256319790000000 ] mass: 10.811000 reduced_to: 16 - symbol: B # 17 coordinates: [ 0.183107610000000, 0.500000000000000, 0.242656570000000 ] mass: 10.811000 reduced_to: 5 - symbol: B # 18 coordinates: [ 0.306571300000000, 0.901905700000000, 0.000173990000000 ] mass: 10.811000 reduced_to: 6 - symbol: B # 19 coordinates: [ 0.306571300000000, 0.098094300000000, 0.000173990000000 ] mass: 10.811000 reduced_to: 7 - symbol: B # 20 coordinates: [ 0.816441930000000, 0.500000000000000, 0.756319790000000 ] mass: 10.811000 reduced_to: 8 - symbol: B # 21 coordinates: [ 0.000000000000000, 0.169374130000000, 0.837136650000000 ] mass: 10.811000 reduced_to: 9 - symbol: B # 22 coordinates: [ 0.693428700000000, 0.098094300000000, 0.000173990000000 ] mass: 10.811000 reduced_to: 10 - symbol: B # 23 coordinates: [ 0.000000000000000, 0.169004020000000, 0.161487890000000 ] mass: 10.811000 reduced_to: 11 - symbol: B # 24 coordinates: [ 0.000000000000000, 0.830625870000000, 0.837136650000000 ] mass: 10.811000 reduced_to: 12 - symbol: B # 25 coordinates: [ 0.693428700000000, 0.901905700000000, 0.000173990000000 ] mass: 10.811000 reduced_to: 13 - symbol: B # 26 coordinates: [ 0.816892390000000, 0.500000000000000, 0.242656570000000 ] mass: 10.811000 reduced_to: 14 - symbol: B # 27 coordinates: [ 0.000000000000000, 0.830995980000000, 0.161487890000000 ] mass: 10.811000 reduced_to: 15 - symbol: B # 28 coordinates: [ 0.183558070000000, 0.500000000000000, 0.756319790000000 ] mass: 10.811000 reduced_to: 16 - symbol: C # 29 coordinates: [ 0.353207590000000, 0.000000000000000, 0.498216570000000 ] mass: 12.010700 reduced_to: 29 - symbol: C # 30 coordinates: [ 0.646792410000000, 0.000000000000000, 0.498216570000000 ] mass: 12.010700 reduced_to: 30 - symbol: C # 31 coordinates: [ 0.353207590000000, 0.500000000000000, 0.998216570000000 ] mass: 12.010700 reduced_to: 29 - symbol: C # 32 coordinates: [ 0.646792410000000, 0.500000000000000, 0.998216570000000 ] mass: 12.010700 reduced_to: 30supercell: lattice: - [ 9.372947360000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 8.962518850000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 11.259985300000000 ] # c points: - symbol: Li # 1 coordinates: [ 0.250000000000000, 0.206072650000000, 0.339567265000000 ] mass: 6.941000 reduced_to: 1 - symbol: Li # 2 coordinates: [ 0.750000000000000, 0.206072650000000, 0.339567265000000 ] mass: 6.941000 reduced_to: 1 - symbol: Li # 3 coordinates: [ 0.250000000000000, 0.206072650000000, 0.839567265000000 ] mass: 6.941000 reduced_to: 1 - symbol: Li # 4 coordinates: [ 0.750000000000000, 0.206072650000000, 0.839567265000000 ] mass: 6.941000 reduced_to: 1 - symbol: Li # 5 coordinates: [ 0.250000000000000, 0.793927350000000, 0.339567265000000 ] mass: 6.941000 reduced_to: 5 - symbol: Li # 6 coordinates: [ 0.750000000000000, 0.793927350000000, 0.339567265000000 ] mass: 6.941000 reduced_to: 5 - symbol: Li # 7 coordinates: [ 0.250000000000000, 0.793927350000000, 0.839567265000000 ] mass: 6.941000 reduced_to: 5 - symbol: Li # 8 coordinates: [ 0.750000000000000, 0.793927350000000, 0.839567265000000 ] mass: 6.941000 reduced_to: 5 - symbol: Li # 9 coordinates: [ 0.250000000000000, 0.706072650000000, 0.089567265000000 ] mass: 6.941000 reduced_to: 1 - symbol: Li # 10 coordinates: [ 0.750000000000000, 0.706072650000000, 0.089567265000000 ] mass: 6.941000 reduced_to: 1 - symbol: Li # 11 coordinates: [ 0.250000000000000, 0.706072650000000, 0.589567265000000 ] mass: 6.941000 reduced_to: 1 - symbol: Li # 12 coordinates: [ 0.750000000000000, 0.706072650000000, 0.589567265000000 ] mass: 6.941000 reduced_to: 1 - symbol: Li # 13 coordinates: [ 0.250000000000000, 0.293927350000000, 0.089567265000000 ] mass: 6.941000 reduced_to: 5 - symbol: Li # 14 coordinates: [ 0.750000000000000, 0.293927350000000, 0.089567265000000 ] mass: 6.941000 reduced_to: 5 - symbol: Li # 15 coordinates: [ 0.250000000000000, 0.293927350000000, 0.589567265000000 ] mass: 6.941000 reduced_to: 5 - symbol: Li # 16 coordinates: [ 0.750000000000000, 0.293927350000000, 0.589567265000000 ] mass: 6.941000 reduced_to: 5 - symbol: B # 17 coordinates: [ 0.091553805000000, 0.000000000000000, 0.371328285000000 ] mass: 10.811000 reduced_to: 17 - symbol: B # 18 coordinates: [ 0.591553805000000, 0.000000000000000, 0.371328285000000 ] mass: 10.811000 reduced_to: 17 - symbol: B # 19 coordinates: [ 0.091553805000000, 0.000000000000000, 0.871328285000000 ] mass: 10.811000 reduced_to: 17 - symbol: B # 20 coordinates: [ 0.591553805000000, 0.000000000000000, 0.871328285000000 ] mass: 10.811000 reduced_to: 17 - symbol: B # 21 coordinates: [ 0.153285650000000, 0.401905700000000, 0.250086995000000 ] mass: 10.811000 reduced_to: 21 - symbol: B # 22 coordinates: [ 0.653285650000000, 0.401905700000000, 0.250086995000000 ] mass: 10.811000 reduced_to: 21 - symbol: B # 23 coordinates: [ 0.153285650000000, 0.401905700000000, 0.750086995000000 ] mass: 10.811000 reduced_to: 21 - symbol: B # 24 coordinates: [ 0.653285650000000, 0.401905700000000, 0.750086995000000 ] mass: 10.811000 reduced_to: 21 - symbol: B # 25 coordinates: [ 0.153285650000000, 0.598094300000000, 0.250086995000000 ] mass: 10.811000 reduced_to: 25 - symbol: B # 26 coordinates: [ 0.653285650000000, 0.598094300000000, 0.250086995000000 ] mass: 10.811000 reduced_to: 25 - symbol: B # 27 coordinates: [ 0.153285650000000, 0.598094300000000, 0.750086995000000 ] mass: 10.811000 reduced_to: 25 - symbol: B # 28 coordinates: [ 0.653285650000000, 0.598094300000000, 0.750086995000000 ] mass: 10.811000 reduced_to: 25 - symbol: B # 29 coordinates: [ 0.408220965000000, 0.000000000000000, 0.128159895000000 ] mass: 10.811000 reduced_to: 29 - symbol: B # 30 coordinates: [ 0.908220965000000, 0.000000000000000, 0.128159895000000 ] mass: 10.811000 reduced_to: 29 - symbol: B # 31 coordinates: [ 0.408220965000000, 0.000000000000000, 0.628159895000000 ] mass: 10.811000 reduced_to: 29 - symbol: B # 32 coordinates: [ 0.908220965000000, 0.000000000000000, 0.628159895000000 ] mass: 10.811000 reduced_to: 29 - symbol: B # 33 coordinates: [ 0.000000000000000, 0.669374130000000, 0.168568325000000 ] mass: 10.811000 reduced_to: 33 - symbol: B # 34 coordinates: [ 0.500000000000000, 0.669374130000000, 0.168568325000000 ] mass: 10.811000 reduced_to: 33 - symbol: B # 35 coordinates: [ 0.000000000000000, 0.669374130000000, 0.668568325000000 ] mass: 10.811000 reduced_to: 33 - symbol: B # 36 coordinates: [ 0.500000000000000, 0.669374130000000, 0.668568325000000 ] mass: 10.811000 reduced_to: 33 - symbol: B # 37 coordinates: [ 0.346714350000000, 0.598094300000000, 0.250086995000000 ] mass: 10.811000 reduced_to: 37 - symbol: B # 38 coordinates: [ 0.846714350000000, 0.598094300000000, 0.250086995000000 ] mass: 10.811000 reduced_to: 37 - symbol: B # 39 coordinates: [ 0.346714350000000, 0.598094300000000, 0.750086995000000 ] mass: 10.811000 reduced_to: 37 - symbol: B # 40 coordinates: [ 0.846714350000000, 0.598094300000000, 0.750086995000000 ] mass: 10.811000 reduced_to: 37 - symbol: B # 41 coordinates: [ 0.000000000000000, 0.669004020000000, 0.330743945000000 ] mass: 10.811000 reduced_to: 41 - symbol: B # 42 coordinates: [ 0.500000000000000, 0.669004020000000, 0.330743945000000 ] mass: 10.811000 reduced_to: 41 - symbol: B # 43 coordinates: [ 0.000000000000000, 0.669004020000000, 0.830743945000000 ] mass: 10.811000 reduced_to: 41 - symbol: B # 44 coordinates: [ 0.500000000000000, 0.669004020000000, 0.830743945000000 ] mass: 10.811000 reduced_to: 41 - symbol: B # 45 coordinates: [ 0.000000000000000, 0.330625870000000, 0.168568325000000 ] mass: 10.811000 reduced_to: 45 - symbol: B # 46 coordinates: [ 0.500000000000000, 0.330625870000000, 0.168568325000000 ] mass: 10.811000 reduced_to: 45 - symbol: B # 47 coordinates: [ 0.000000000000000, 0.330625870000000, 0.668568325000000 ] mass: 10.811000 reduced_to: 45 - symbol: B # 48 coordinates: [ 0.500000000000000, 0.330625870000000, 0.668568325000000 ] mass: 10.811000 reduced_to: 45 - symbol: B # 49 coordinates: [ 0.346714350000000, 0.401905700000000, 0.250086995000000 ] mass: 10.811000 reduced_to: 49 - symbol: B # 50 coordinates: [ 0.846714350000000, 0.401905700000000, 0.250086995000000 ] mass: 10.811000 reduced_to: 49 - symbol: B # 51 coordinates: [ 0.346714350000000, 0.401905700000000, 0.750086995000000 ] mass: 10.811000 reduced_to: 49 - symbol: B # 52 coordinates: [ 0.846714350000000, 0.401905700000000, 0.750086995000000 ] mass: 10.811000 reduced_to: 49 - symbol: B # 53 coordinates: [ 0.408446195000000, 0.000000000000000, 0.371328285000000 ] mass: 10.811000 reduced_to: 53 - symbol: B # 54 coordinates: [ 0.908446195000000, 0.000000000000000, 0.371328285000000 ] mass: 10.811000 reduced_to: 53 - symbol: B # 55 coordinates: [ 0.408446195000000, 0.000000000000000, 0.871328285000000 ] mass: 10.811000 reduced_to: 53 - symbol: B # 56 coordinates: [ 0.908446195000000, 0.000000000000000, 0.871328285000000 ] mass: 10.811000 reduced_to: 53 - symbol: B # 57 coordinates: [ 0.000000000000000, 0.330995980000000, 0.330743945000000 ] mass: 10.811000 reduced_to: 57 - symbol: B # 58 coordinates: [ 0.500000000000000, 0.330995980000000, 0.330743945000000 ] mass: 10.811000 reduced_to: 57 - symbol: B # 59 coordinates: [ 0.000000000000000, 0.330995980000000, 0.830743945000000 ] mass: 10.811000 reduced_to: 57 - symbol: B # 60 coordinates: [ 0.500000000000000, 0.330995980000000, 0.830743945000000 ] mass: 10.811000 reduced_to: 57 - symbol: B # 61 coordinates: [ 0.091779035000000, 0.000000000000000, 0.128159895000000 ] mass: 10.811000 reduced_to: 61 - symbol: B # 62 coordinates: [ 0.591779035000000, 0.000000000000000, 0.128159895000000 ] mass: 10.811000 reduced_to: 61 - symbol: B # 63 coordinates: [ 0.091779035000000, 0.000000000000000, 0.628159895000000 ] mass: 10.811000 reduced_to: 61 - symbol: B # 64 coordinates: [ 0.591779035000000, 0.000000000000000, 0.628159895000000 ] mass: 10.811000 reduced_to: 61 - symbol: B # 65 coordinates: [ 0.091553805000000, 0.500000000000000, 0.121328285000000 ] mass: 10.811000 reduced_to: 17 - symbol: B # 66 coordinates: [ 0.591553805000000, 0.500000000000000, 0.121328285000000 ] mass: 10.811000 reduced_to: 17 - symbol: B # 67 coordinates: [ 0.091553805000000, 0.500000000000000, 0.621328285000000 ] mass: 10.811000 reduced_to: 17 - symbol: B # 68 coordinates: [ 0.591553805000000, 0.500000000000000, 0.621328285000000 ] mass: 10.811000 reduced_to: 17 - symbol: B # 69 coordinates: [ 0.153285650000000, 0.901905700000000, 0.000086995000000 ] mass: 10.811000 reduced_to: 21 - symbol: B # 70 coordinates: [ 0.653285650000000, 0.901905700000000, 0.000086995000000 ] mass: 10.811000 reduced_to: 21 - symbol: B # 71 coordinates: [ 0.153285650000000, 0.901905700000000, 0.500086995000000 ] mass: 10.811000 reduced_to: 21 - symbol: B # 72 coordinates: [ 0.653285650000000, 0.901905700000000, 0.500086995000000 ] mass: 10.811000 reduced_to: 21 - symbol: B # 73 coordinates: [ 0.153285650000000, 0.098094300000000, 0.000086995000000 ] mass: 10.811000 reduced_to: 25 - symbol: B # 74 coordinates: [ 0.653285650000000, 0.098094300000000, 0.000086995000000 ] mass: 10.811000 reduced_to: 25 - symbol: B # 75 coordinates: [ 0.153285650000000, 0.098094300000000, 0.500086995000000 ] mass: 10.811000 reduced_to: 25 - symbol: B # 76 coordinates: [ 0.653285650000000, 0.098094300000000, 0.500086995000000 ] mass: 10.811000 reduced_to: 25 - symbol: B # 77 coordinates: [ 0.408220965000000, 0.500000000000000, 0.378159895000000 ] mass: 10.811000 reduced_to: 29 - symbol: B # 78 coordinates: [ 0.908220965000000, 0.500000000000000, 0.378159895000000 ] mass: 10.811000 reduced_to: 29 - symbol: B # 79 coordinates: [ 0.408220965000000, 0.500000000000000, 0.878159895000000 ] mass: 10.811000 reduced_to: 29 - symbol: B # 80 coordinates: [ 0.908220965000000, 0.500000000000000, 0.878159895000000 ] mass: 10.811000 reduced_to: 29 - symbol: B # 81 coordinates: [ 0.000000000000000, 0.169374130000000, 0.418568325000000 ] mass: 10.811000 reduced_to: 33 - symbol: B # 82 coordinates: [ 0.500000000000000, 0.169374130000000, 0.418568325000000 ] mass: 10.811000 reduced_to: 33 - symbol: B # 83 coordinates: [ 0.000000000000000, 0.169374130000000, 0.918568325000000 ] mass: 10.811000 reduced_to: 33 - symbol: B # 84 coordinates: [ 0.500000000000000, 0.169374130000000, 0.918568325000000 ] mass: 10.811000 reduced_to: 33 - symbol: B # 85 coordinates: [ 0.346714350000000, 0.098094300000000, 0.000086995000000 ] mass: 10.811000 reduced_to: 37 - symbol: B # 86 coordinates: [ 0.846714350000000, 0.098094300000000, 0.000086995000000 ] mass: 10.811000 reduced_to: 37 - symbol: B # 87 coordinates: [ 0.346714350000000, 0.098094300000000, 0.500086995000000 ] mass: 10.811000 reduced_to: 37 - symbol: B # 88 coordinates: [ 0.846714350000000, 0.098094300000000, 0.500086995000000 ] mass: 10.811000 reduced_to: 37 - symbol: B # 89 coordinates: [ 0.000000000000000, 0.169004020000000, 0.080743945000000 ] mass: 10.811000 reduced_to: 41 - symbol: B # 90 coordinates: [ 0.500000000000000, 0.169004020000000, 0.080743945000000 ] mass: 10.811000 reduced_to: 41 - symbol: B # 91 coordinates: [ 0.000000000000000, 0.169004020000000, 0.580743945000000 ] mass: 10.811000 reduced_to: 41 - symbol: B # 92 coordinates: [ 0.500000000000000, 0.169004020000000, 0.580743945000000 ] mass: 10.811000 reduced_to: 41 - symbol: B # 93 coordinates: [ 0.000000000000000, 0.830625870000000, 0.418568325000000 ] mass: 10.811000 reduced_to: 45 - symbol: B # 94 coordinates: [ 0.500000000000000, 0.830625870000000, 0.418568325000000 ] mass: 10.811000 reduced_to: 45 - symbol: B # 95 coordinates: [ 0.000000000000000, 0.830625870000000, 0.918568325000000 ] mass: 10.811000 reduced_to: 45 - symbol: B # 96 coordinates: [ 0.500000000000000, 0.830625870000000, 0.918568325000000 ] mass: 10.811000 reduced_to: 45 - symbol: B # 97 coordinates: [ 0.346714350000000, 0.901905700000000, 0.000086995000000 ] mass: 10.811000 reduced_to: 49 - symbol: B # 98 coordinates: [ 0.846714350000000, 0.901905700000000, 0.000086995000000 ] mass: 10.811000 reduced_to: 49 - symbol: B # 99 coordinates: [ 0.346714350000000, 0.901905700000000, 0.500086995000000 ] mass: 10.811000 reduced_to: 49 - symbol: B # 100 coordinates: [ 0.846714350000000, 0.901905700000000, 0.500086995000000 ] mass: 10.811000 reduced_to: 49 - symbol: B # 101 coordinates: [ 0.408446195000000, 0.500000000000000, 0.121328285000000 ] mass: 10.811000 reduced_to: 53 - symbol: B # 102 coordinates: [ 0.908446195000000, 0.500000000000000, 0.121328285000000 ] mass: 10.811000 reduced_to: 53 - symbol: B # 103 coordinates: [ 0.408446195000000, 0.500000000000000, 0.621328285000000 ] mass: 10.811000 reduced_to: 53 - symbol: B # 104 coordinates: [ 0.908446195000000, 0.500000000000000, 0.621328285000000 ] mass: 10.811000 reduced_to: 53 - symbol: B # 105 coordinates: [ 0.000000000000000, 0.830995980000000, 0.080743945000000 ] mass: 10.811000 reduced_to: 57 - symbol: B # 106 coordinates: [ 0.500000000000000, 0.830995980000000, 0.080743945000000 ] mass: 10.811000 reduced_to: 57 - symbol: B # 107 coordinates: [ 0.000000000000000, 0.830995980000000, 0.580743945000000 ] mass: 10.811000 reduced_to: 57 - symbol: B # 108 coordinates: [ 0.500000000000000, 0.830995980000000, 0.580743945000000 ] mass: 10.811000 reduced_to: 57 - symbol: B # 109 coordinates: [ 0.091779035000000, 0.500000000000000, 0.378159895000000 ] mass: 10.811000 reduced_to: 61 - symbol: B # 110 coordinates: [ 0.591779035000000, 0.500000000000000, 0.378159895000000 ] mass: 10.811000 reduced_to: 61 - symbol: B # 111 coordinates: [ 0.091779035000000, 0.500000000000000, 0.878159895000000 ] mass: 10.811000 reduced_to: 61 - symbol: B # 112 coordinates: [ 0.591779035000000, 0.500000000000000, 0.878159895000000 ] mass: 10.811000 reduced_to: 61 - symbol: C # 113 coordinates: [ 0.176603795000000, 0.000000000000000, 0.249108285000000 ] mass: 12.010700 reduced_to: 113 - symbol: C # 114 coordinates: [ 0.676603795000000, 0.000000000000000, 0.249108285000000 ] mass: 12.010700 reduced_to: 113 - symbol: C # 115 coordinates: [ 0.176603795000000, 0.000000000000000, 0.749108285000000 ] mass: 12.010700 reduced_to: 113 - symbol: C # 116 coordinates: [ 0.676603795000000, 0.000000000000000, 0.749108285000000 ] mass: 12.010700 reduced_to: 113 - symbol: C # 117 coordinates: [ 0.323396205000000, 0.000000000000000, 0.249108285000000 ] mass: 12.010700 reduced_to: 117 - symbol: C # 118 coordinates: [ 0.823396205000000, 0.000000000000000, 0.249108285000000 ] mass: 12.010700 reduced_to: 117 - symbol: C # 119 coordinates: [ 0.323396205000000, 0.000000000000000, 0.749108285000000 ] mass: 12.010700 reduced_to: 117 - symbol: C # 120 coordinates: [ 0.823396205000000, 0.000000000000000, 0.749108285000000 ] mass: 12.010700 reduced_to: 117 - symbol: C # 121 coordinates: [ 0.176603795000000, 0.500000000000000, 0.499108285000000 ] mass: 12.010700 reduced_to: 113 - symbol: C # 122 coordinates: [ 0.676603795000000, 0.500000000000000, 0.499108285000000 ] mass: 12.010700 reduced_to: 113 - symbol: C # 123 coordinates: [ 0.176603795000000, 0.500000000000000, 0.999108285000000 ] mass: 12.010700 reduced_to: 113 - symbol: C # 124 coordinates: [ 0.676603795000000, 0.500000000000000, 0.999108285000000 ] mass: 12.010700 reduced_to: 113 - symbol: C # 125 coordinates: [ 0.323396205000000, 0.500000000000000, 0.499108285000000 ] mass: 12.010700 reduced_to: 117 - symbol: C # 126 coordinates: [ 0.823396205000000, 0.500000000000000, 0.499108285000000 ] mass: 12.010700 reduced_to: 117 - symbol: C # 127 coordinates: [ 0.323396205000000, 0.500000000000000, 0.999108285000000 ] mass: 12.010700 reduced_to: 117 - symbol: C # 128 coordinates: [ 0.823396205000000, 0.500000000000000, 0.999108285000000 ] mass: 12.010700 reduced_to: 117displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0223615200000000, 0.0000228800000000, -0.0001241300000000 ] - [ 0.0014328200000000, -0.0000635000000000, 0.0000006800000000 ] - [ -0.0000590300000000, -0.0000639600000000, 0.0000005400000000 ] - [ 0.0000504400000000, -0.0000661200000000, 0.0000018500000000 ] - [ -0.0002994400000000, 0.0000694500000000, -0.0000009400000000 ] - [ 0.0004461100000000, 0.0000696300000000, -0.0000001400000000 ] - [ -0.0000504700000000, 0.0000685000000000, -0.0000001300000000 ] - [ 0.0000391200000000, 0.0000676400000000, 0.0000005600000000 ] - [ -0.0001728000000000, -0.0000631700000000, 0.0000005900000000 ] - [ 0.0001958700000000, -0.0000632500000000, 0.0000003700000000 ] - [ -0.0001728300000000, -0.0000653700000000, 0.0000011300000000 ] - [ 0.0001960000000000, -0.0000643100000000, 0.0000024400000000 ] - [ -0.0007364500000000, 0.0000633900000000, 0.0000121600000000 ] - [ 0.0003845000000000, 0.0000700200000000, -0.0000014600000000 ] - [ -0.0007363800000000, 0.0000678600000000, -0.0000111700000000 ] - [ 0.0003845700000000, 0.0000667500000000, 0.0000024100000000 ] - [ 0.0026184200000000, 0.0044022700000000, -0.0008499300000000 ] - [ 0.0005709300000000, -0.0004614100000000, -0.0003555100000000 ] - [ 0.0000309600000000, -0.0000235300000000, -0.0000366600000000 ] - [ -0.0000345400000000, 0.0000303500000000, 0.0000441400000000 ] - [ 0.0017592900000000, -0.0083506200000000, 0.0050257800000000 ] - [ 0.0003638100000000, -0.0006782400000000, -0.0003008300000000 ] - [ -0.0000610300000000, 0.0000593900000000, -0.0000009700000000 ] - [ 0.0000537800000000, -0.0000909400000000, -0.0000350900000000 ] - [ -0.0000652300000000, -0.0000351400000000, -0.0001568900000000 ] - [ -0.0000959700000000, -0.0003046000000000, 0.0002259800000000 ] - [ -0.0000344100000000, -0.0000546000000000, 0.0000115400000000 ] - [ 0.0000119900000000, 0.0000669800000000, -0.0000278700000000 ] - [ 0.0002329600000000, -0.0001041900000000, -0.0000797100000000 ] - [ -0.0001400300000000, 0.0000141100000000, -0.0000089100000000 ] - [ 0.0003832500000000, -0.0000018300000000, -0.0001803900000000 ] - [ -0.0000428600000000, -0.0001392400000000, 0.0000286900000000 ] - [ -0.0002215200000000, 0.0003877700000000, -0.0001631500000000 ] - [ -0.0002190900000000, -0.0003208800000000, 0.0001659300000000 ] - [ 0.0000077300000000, 0.0001004400000000, -0.0000853700000000 ] - [ 0.0000091800000000, -0.0000322600000000, 0.0000886900000000 ] - [ -0.0000496500000000, 0.0000518800000000, 0.0001396600000000 ] - [ -0.0000845400000000, 0.0003218700000000, -0.0002409100000000 ] - [ -0.0000223900000000, 0.0000733600000000, -0.0000267700000000 ] - [ 0.0000232700000000, -0.0000478800000000, 0.0000132800000000 ] - [ -0.0001484500000000, 0.0000354500000000, 0.0004515400000000 ] - [ -0.0001488000000000, 0.0000629100000000, -0.0004698500000000 ] - [ 0.0000120500000000, 0.0000393600000000, 0.0000341500000000 ] - [ 0.0000123800000000, 0.0000592000000000, -0.0000519500000000 ] - [ 0.0004455500000000, -0.0001153400000000, 0.0011002500000000 ] - [ 0.0004436500000000, 0.0000407000000000, -0.0010963200000000 ] - [ -0.0000821800000000, -0.0002360900000000, -0.0000207200000000 ] - [ -0.0000822200000000, 0.0001684600000000, 0.0000230600000000 ] - [ 0.0017152700000000, 0.0083659900000000, -0.0050515200000000 ] - [ 0.0003742400000000, 0.0006530000000000, 0.0002940500000000 ] - [ -0.0000494600000000, -0.0000800400000000, -0.0000133100000000 ] - [ 0.0000651800000000, 0.0000710000000000, 0.0000198500000000 ] - [ 0.0026951800000000, -0.0045065800000000, 0.0009241200000000 ] - [ 0.0005772100000000, 0.0004383300000000, 0.0004113600000000 ] - [ 0.0000537700000000, 0.0000232400000000, 0.0000872200000000 ] - [ -0.0000113300000000, -0.0000307700000000, 0.0000055400000000 ] - [ 0.0008412800000000, -0.0026999800000000, 0.0014893600000000 ] - [ 0.0009355600000000, 0.0026766700000000, -0.0015256000000000 ] - [ 0.0000033000000000, -0.0000075200000000, 0.0000176000000000 ] - [ 0.0000038500000000, -0.0000925200000000, -0.0000351000000000 ] - [ 0.0003077400000000, 0.0001000900000000, 0.0001079200000000 ] - [ -0.0000714900000000, -0.0000168300000000, 0.0000332400000000 ] - [ 0.0004506700000000, 0.0000067900000000, 0.0002005000000000 ] - [ 0.0000311600000000, 0.0001364100000000, -0.0000004400000000 ] - [ 0.0003435100000000, -0.0000226200000000, 0.0000965800000000 ] - [ -0.0000862500000000, 0.0001994200000000, -0.0001063000000000 ] - [ 0.0000470000000000, 0.0000109800000000, 0.0000486400000000 ] - [ -0.0000341700000000, -0.0000066000000000, -0.0000066600000000 ] - [ 0.0000263100000000, 0.0001024200000000, -0.0000948100000000 ] - [ -0.0000157300000000, -0.0001269400000000, 0.0000171000000000 ] - [ -0.0001943500000000, 0.0005063000000000, -0.0002971600000000 ] - [ -0.0001246400000000, 0.0000799300000000, -0.0002198200000000 ] - [ -0.0000134800000000, -0.0001179700000000, 0.0000028900000000 ] - [ 0.0000785200000000, 0.0001491000000000, 0.0000063700000000 ] - [ 0.0017828300000000, 0.0033891100000000, -0.0073844400000000 ] - [ 0.0002602300000000, 0.0003058200000000, 0.0000446600000000 ] - [ -0.0003217400000000, 0.0009692500000000, 0.0007547900000000 ] - [ -0.0000341900000000, -0.0001886500000000, -0.0007543900000000 ] - [ 0.0000159400000000, -0.0000083400000000, 0.0000000300000000 ] - [ -0.0000657100000000, 0.0000261500000000, 0.0000285200000000 ] - [ 0.0021727600000000, 0.0025323600000000, -0.0026766500000000 ] - [ 0.0023138300000000, -0.0025325800000000, 0.0027632900000000 ] - [ 0.0000546300000000, -0.0000461700000000, 0.0000215800000000 ] - [ 0.0000542400000000, 0.0001145800000000, -0.0000193000000000 ] - [ -0.0000029000000000, 0.0001364700000000, -0.0000192800000000 ] - [ 0.0000898200000000, -0.0001304400000000, -0.0000210200000000 ] - [ 0.0017740100000000, -0.0033902100000000, 0.0073815300000000 ] - [ 0.0002789100000000, -0.0002785900000000, -0.0000773600000000 ] - [ -0.0000045600000000, 0.0004597000000000, 0.0003727900000000 ] - [ -0.0000052400000000, -0.0003642200000000, -0.0003924800000000 ] - [ 0.0003891800000000, 0.0003322900000000, -0.0009618400000000 ] - [ 0.0003881700000000, -0.0002329800000000, 0.0009557000000000 ] - [ -0.0000479300000000, -0.0001145100000000, -0.0004060900000000 ] - [ -0.0000443500000000, 0.0000608300000000, 0.0004039700000000 ] - [ 0.0000673500000000, -0.0000310500000000, -0.0000202800000000 ] - [ 0.0000678900000000, -0.0000378600000000, 0.0000230700000000 ] - [ 0.0000382900000000, -0.0001223000000000, 0.0000792300000000 ] - [ -0.0000046400000000, 0.0001061900000000, -0.0000321300000000 ] - [ -0.0001851000000000, -0.0005186600000000, 0.0002829200000000 ] - [ -0.0001194800000000, -0.0001055600000000, 0.0002113600000000 ] - [ 0.0003677400000000, 0.0000250000000000, -0.0000420600000000 ] - [ -0.0000637700000000, -0.0001969900000000, 0.0001550000000000 ] - [ 0.0000684300000000, -0.0000105100000000, -0.0000006700000000 ] - [ -0.0000106600000000, 0.0000061700000000, 0.0000573300000000 ] - [ 0.0000216300000000, -0.0000732100000000, 0.0002324500000000 ] - [ 0.0000233700000000, -0.0000262400000000, -0.0002506700000000 ] - [ -0.0001807900000000, -0.0002826400000000, 0.0000777200000000 ] - [ -0.0001783300000000, 0.0001820500000000, -0.0000967400000000 ] - [ -0.0002465400000000, -0.0009764800000000, -0.0007241000000000 ] - [ 0.0000375700000000, 0.0001868300000000, 0.0007809200000000 ] - [ 0.0000849100000000, 0.0000078300000000, 0.0000256000000000 ] - [ 0.0000024800000000, -0.0000265000000000, -0.0000033600000000 ] - [ 0.0002541200000000, 0.0028476100000000, 0.0022970800000000 ] - [ -0.0000966800000000, 0.0001647700000000, -0.0001919500000000 ] - [ -0.0001744100000000, -0.0001788800000000, 0.0000636800000000 ] - [ 0.0000617200000000, 0.0000916400000000, 0.0000408500000000 ] - [ 0.0001713800000000, -0.0028418400000000, -0.0023096300000000 ] - [ -0.0001454500000000, -0.0001607900000000, 0.0001617300000000 ] - [ -0.0002261300000000, 0.0001793500000000, -0.0000947100000000 ] - [ 0.0000094400000000, -0.0000932300000000, -0.0000726100000000 ] - [ -0.0001475200000000, 0.0003170700000000, -0.0003530300000000 ] - [ 0.0000172300000000, -0.0001956400000000, 0.0002389100000000 ] - [ -0.0001174900000000, 0.0001642400000000, -0.0001020500000000 ] - [ 0.0000419400000000, -0.0001701100000000, -0.0000558000000000 ] - [ -0.0002058700000000, -0.0003135700000000, 0.0003222800000000 ] - [ -0.0000359300000000, 0.0001942900000000, -0.0002701900000000 ] - [ -0.0001706400000000, -0.0001650000000000, 0.0000699100000000 ] - [ -0.0000095900000000, 0.0001686800000000, 0.0000246500000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, -0.0601298300000000, 0.0215925200000000 ] - [ 0.0000000000000000, -0.0008942200000000, 0.0004140400000000 ] - [ 0.0000000000000000, -0.0003908200000000, -0.0000267100000000 ] - [ 0.0000000000000000, -0.0003425500000000, -0.0000541000000000 ] - [ 0.0000000000000000, 0.0019441400000000, 0.0000368000000000 ] - [ 0.0000000000000000, 0.0007004000000000, 0.0003494300000000 ] - [ 0.0000000000000000, 0.0003920400000000, -0.0000082600000000 ] - [ 0.0000000000000000, 0.0003545700000000, -0.0000599400000000 ] - [ 0.0000000000000000, 0.0006956200000000, -0.0000607500000000 ] - [ 0.0000000000000000, 0.0004150600000000, -0.0002024800000000 ] - [ 0.0000000000000000, 0.0006945600000000, 0.0000458600000000 ] - [ 0.0000000000000000, 0.0004121300000000, -0.0000373300000000 ] - [ 0.0000000000000000, -0.0008840900000000, -0.0009912000000000 ] - [ 0.0000000000000000, -0.0004210900000000, -0.0003375800000000 ] - [ 0.0000000000000000, -0.0008859800000000, 0.0018503300000000 ] - [ 0.0000000000000000, -0.0004224200000000, -0.0000508200000000 ] - [ 0.0043981100000000, 0.0028155300000000, -0.0024119000000000 ] - [ -0.0006438800000000, -0.0004778000000000, -0.0000617900000000 ] - [ 0.0001512500000000, 0.0000465600000000, -0.0000486000000000 ] - [ 0.0000822200000000, 0.0000201000000000, -0.0001614300000000 ] - [ -0.0067729500000000, 0.0155113500000000, -0.0093685400000000 ] - [ -0.0005802600000000, -0.0000085600000000, -0.0001375100000000 ] - [ 0.0000968900000000, -0.0000032500000000, 0.0000044500000000 ] - [ -0.0000038300000000, 0.0000768300000000, 0.0000034800000000 ] - [ -0.0000382500000000, 0.0003319300000000, -0.0001651500000000 ] - [ -0.0004591500000000, -0.0003257100000000, 0.0002197400000000 ] - [ 0.0000740500000000, 0.0000021000000000, -0.0000230300000000 ] - [ -0.0000129000000000, -0.0000507600000000, 0.0000209700000000 ] - [ -0.0009935000000000, 0.0001557300000000, 0.0010007900000000 ] - [ -0.0000064300000000, -0.0000686700000000, 0.0000742000000000 ] - [ 0.0000639200000000, 0.0004652000000000, 0.0001271400000000 ] - [ -0.0001827200000000, -0.0001842100000000, 0.0002032000000000 ] - [ 0.0002179700000000, 0.0001209300000000, 0.0001677600000000 ] - [ -0.0002179700000000, 0.0001209300000000, 0.0001677600000000 ] - [ -0.0000831400000000, 0.0003228500000000, -0.0000659000000000 ] - [ 0.0000831400000000, 0.0003228500000000, -0.0000659000000000 ] - [ 0.0000382500000000, 0.0003319300000000, -0.0001651500000000 ] - [ 0.0004591500000000, -0.0003257100000000, 0.0002197400000000 ] - [ -0.0000740500000000, 0.0000021000000000, -0.0000230300000000 ] - [ 0.0000129000000000, -0.0000507600000000, 0.0000209700000000 ] - [ -0.0002203900000000, 0.0006736900000000, -0.0000435100000000 ] - [ 0.0002203900000000, 0.0006736900000000, -0.0000435100000000 ] - [ -0.0000133600000000, 0.0001584400000000, -0.0000209700000000 ] - [ 0.0000133600000000, 0.0001584400000000, -0.0000209700000000 ] - [ -0.0000389400000000, -0.0009192800000000, -0.0011117400000000 ] - [ 0.0000389400000000, -0.0009192800000000, -0.0011117400000000 ] - [ -0.0000998600000000, -0.0003067600000000, -0.0001242300000000 ] - [ 0.0000998600000000, -0.0003067600000000, -0.0001242300000000 ] - [ 0.0067729500000000, 0.0155113500000000, -0.0093685400000000 ] - [ 0.0005802600000000, -0.0000085600000000, -0.0001375100000000 ] - [ -0.0000968900000000, -0.0000032500000000, 0.0000044500000000 ] - [ 0.0000038300000000, 0.0000768300000000, 0.0000034800000000 ] - [ -0.0043981100000000, 0.0028155300000000, -0.0024119000000000 ] - [ 0.0006438800000000, -0.0004778000000000, -0.0000617900000000 ] - [ -0.0001512500000000, 0.0000465600000000, -0.0000486000000000 ] - [ -0.0000822200000000, 0.0000201000000000, -0.0001614300000000 ] - [ -0.0005949700000000, -0.0003614000000000, 0.0001609500000000 ] - [ 0.0005949700000000, -0.0003614000000000, 0.0001609500000000 ] - [ -0.0000105400000000, -0.0001699000000000, -0.0000196500000000 ] - [ 0.0000105400000000, -0.0001699000000000, -0.0000196500000000 ] - [ 0.0009935000000000, 0.0001557300000000, 0.0010007900000000 ] - [ 0.0000064300000000, -0.0000686700000000, 0.0000742000000000 ] - [ -0.0000639200000000, 0.0004652000000000, 0.0001271400000000 ] - [ 0.0001827200000000, -0.0001842100000000, 0.0002032000000000 ] - [ 0.0000437300000000, 0.0000903800000000, -0.0000745300000000 ] - [ -0.0000301100000000, -0.0001272000000000, 0.0000702600000000 ] - [ -0.0004372300000000, 0.0000064900000000, 0.0005643500000000 ] - [ -0.0000732500000000, 0.0000454400000000, 0.0001896200000000 ] - [ -0.0001430300000000, 0.0000578300000000, -0.0000910600000000 ] - [ 0.0000440900000000, -0.0001045800000000, -0.0000333000000000 ] - [ 0.0000958400000000, 0.0010281200000000, -0.0008876800000000 ] - [ 0.0003410400000000, -0.0001995300000000, 0.0002352700000000 ] - [ -0.0002084100000000, -0.0000096400000000, -0.0001029500000000 ] - [ 0.0000443400000000, 0.0001330200000000, 0.0000291900000000 ] - [ 0.0021304000000000, 0.0026509200000000, -0.0053967900000000 ] - [ 0.0003421600000000, 0.0005970600000000, -0.0000209700000000 ] - [ 0.0000959200000000, 0.0007770000000000, -0.0000027100000000 ] - [ 0.0000686700000000, -0.0000148400000000, 0.0000270800000000 ] - [ 0.0001876700000000, 0.0000218700000000, -0.0001334200000000 ] - [ 0.0000592200000000, 0.0000242400000000, -0.0001781600000000 ] - [ 0.0013231400000000, -0.0018247300000000, 0.0005400100000000 ] - [ -0.0013231400000000, -0.0018247300000000, 0.0005400100000000 ] - [ 0.0000001600000000, -0.0000428000000000, -0.0000902900000000 ] - [ -0.0000001600000000, -0.0000428000000000, -0.0000902900000000 ] - [ 0.0002084100000000, -0.0000096400000000, -0.0001029500000000 ] - [ -0.0000443400000000, 0.0001330200000000, 0.0000291900000000 ] - [ -0.0021304000000000, 0.0026509200000000, -0.0053967900000000 ] - [ -0.0003421600000000, 0.0005970600000000, -0.0000209700000000 ] - [ 0.0000683600000000, -0.0004274000000000, -0.0002384300000000 ] - [ -0.0000683600000000, -0.0004274000000000, -0.0002384300000000 ] - [ -0.0000532500000000, -0.0004491600000000, 0.0003693900000000 ] - [ 0.0000532500000000, -0.0004491600000000, 0.0003693900000000 ] - [ -0.0002688000000000, 0.0008247600000000, 0.0003789900000000 ] - [ 0.0002688000000000, 0.0008247600000000, 0.0003789900000000 ] - [ -0.0000194800000000, 0.0000585700000000, -0.0000495200000000 ] - [ 0.0000194800000000, 0.0000585700000000, -0.0000495200000000 ] - [ 0.0001430300000000, 0.0000578300000000, -0.0000910600000000 ] - [ -0.0000440900000000, -0.0001045800000000, -0.0000333000000000 ] - [ -0.0000958400000000, 0.0010281200000000, -0.0008876800000000 ] - [ -0.0003410400000000, -0.0001995300000000, 0.0002352700000000 ] - [ -0.0000437300000000, 0.0000903800000000, -0.0000745300000000 ] - [ 0.0000301100000000, -0.0001272000000000, 0.0000702600000000 ] - [ 0.0004372300000000, 0.0000064900000000, 0.0005643500000000 ] - [ 0.0000732500000000, 0.0000454400000000, 0.0001896200000000 ] - [ -0.0000093700000000, 0.0003484200000000, -0.0002218700000000 ] - [ 0.0000093700000000, 0.0003484200000000, -0.0002218700000000 ] - [ -0.0001043200000000, 0.0001177000000000, 0.0001231700000000 ] - [ 0.0001043200000000, 0.0001177000000000, 0.0001231700000000 ] - [ -0.0000959200000000, 0.0007770000000000, -0.0000027100000000 ] - [ -0.0000686700000000, -0.0000148400000000, 0.0000270800000000 ] - [ -0.0001876700000000, 0.0000218700000000, -0.0001334200000000 ] - [ -0.0000592200000000, 0.0000242400000000, -0.0001781600000000 ] - [ 0.0024183200000000, 0.0092110900000000, 0.0052332000000000 ] - [ 0.0000589300000000, 0.0000273800000000, -0.0000816100000000 ] - [ -0.0001816200000000, -0.0000644400000000, 0.0000810900000000 ] - [ 0.0000450100000000, -0.0000351900000000, 0.0000184000000000 ] - [ -0.0024183200000000, 0.0092110900000000, 0.0052332000000000 ] - [ -0.0000589300000000, 0.0000273800000000, -0.0000816100000000 ] - [ 0.0001816200000000, -0.0000644400000000, 0.0000810900000000 ] - [ -0.0000450100000000, -0.0000351900000000, 0.0000184000000000 ] - [ -0.0005471700000000, -0.0006868200000000, 0.0001049600000000 ] - [ 0.0001017200000000, -0.0001723000000000, -0.0000433700000000 ] - [ 0.0002211100000000, -0.0001708800000000, 0.0002055100000000 ] - [ 0.0000154200000000, -0.0001345200000000, 0.0000275400000000 ] - [ 0.0005471700000000, -0.0006868200000000, 0.0001049600000000 ] - [ -0.0001017200000000, -0.0001723000000000, -0.0000433700000000 ] - [ -0.0002211100000000, -0.0001708800000000, 0.0002055100000000 ] - [ -0.0000154200000000, -0.0001345200000000, 0.0000275400000000 ]- atom: 1 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, 0.0600772900000000, -0.0205672600000000 ] - [ 0.0000000000000000, 0.0007659200000000, -0.0004090500000000 ] - [ 0.0000000000000000, 0.0002592600000000, 0.0000284700000000 ] - [ 0.0000000000000000, 0.0002104800000000, 0.0000598200000000 ] - [ 0.0000000000000000, -0.0018206600000000, -0.0000423000000000 ] - [ 0.0000000000000000, -0.0005645800000000, -0.0003459700000000 ] - [ 0.0000000000000000, -0.0002541700000000, 0.0000111200000000 ] - [ 0.0000000000000000, -0.0002168200000000, 0.0000613900000000 ] - [ 0.0000000000000000, -0.0008195100000000, 0.0000687300000000 ] - [ 0.0000000000000000, -0.0005409500000000, 0.0002059500000000 ] - [ 0.0000000000000000, -0.0008208600000000, -0.0000407400000000 ] - [ 0.0000000000000000, -0.0005426300000000, 0.0000420300000000 ] - [ 0.0000000000000000, 0.0010083300000000, 0.0010102700000000 ] - [ 0.0000000000000000, 0.0005569100000000, 0.0003396400000000 ] - [ 0.0000000000000000, 0.0010092500000000, -0.0018511000000000 ] - [ 0.0000000000000000, 0.0005562200000000, 0.0000512200000000 ] - [ -0.0045475600000000, -0.0028898800000000, 0.0024923600000000 ] - [ 0.0006272300000000, 0.0004860400000000, 0.0001073200000000 ] - [ -0.0001737800000000, -0.0000478500000000, 0.0000994000000000 ] - [ -0.0001048100000000, -0.0000202300000000, 0.0002108900000000 ] - [ 0.0066071400000000, -0.0151500100000000, 0.0090232900000000 ] - [ 0.0005617800000000, -0.0000072300000000, 0.0001230800000000 ] - [ -0.0001070500000000, -0.0000166700000000, -0.0000192900000000 ] - [ -0.0000077600000000, -0.0000956500000000, -0.0000194100000000 ] - [ 0.0000128500000000, -0.0002942800000000, 0.0001316200000000 ] - [ 0.0004463100000000, 0.0003465700000000, -0.0002345400000000 ] - [ -0.0000844600000000, 0.0000161900000000, 0.0000066100000000 ] - [ 0.0000016100000000, 0.0000689900000000, -0.0000362700000000 ] - [ 0.0009217000000000, -0.0001673300000000, -0.0009593100000000 ] - [ -0.0000607600000000, 0.0000696700000000, -0.0000498900000000 ] - [ -0.0001288100000000, -0.0004747900000000, -0.0001077400000000 ] - [ 0.0001164900000000, 0.0001795600000000, -0.0001778200000000 ] - [ -0.0002214600000000, -0.0000469900000000, -0.0001679900000000 ] - [ 0.0002214600000000, -0.0000469900000000, -0.0001679900000000 ] - [ 0.0000822100000000, -0.0002549800000000, 0.0000663500000000 ] - [ -0.0000822100000000, -0.0002549800000000, 0.0000663500000000 ] - [ -0.0000128500000000, -0.0002942800000000, 0.0001316200000000 ] - [ -0.0004463100000000, 0.0003465700000000, -0.0002345400000000 ] - [ 0.0000844600000000, 0.0000161900000000, 0.0000066100000000 ] - [ -0.0000016100000000, 0.0000689900000000, -0.0000362700000000 ] - [ 0.0002207600000000, -0.0005714000000000, 0.0000176200000000 ] - [ -0.0002207600000000, -0.0005714000000000, 0.0000176200000000 ] - [ 0.0000135000000000, -0.0000595900000000, 0.0000022000000000 ] - [ -0.0000135000000000, -0.0000595900000000, 0.0000022000000000 ] - [ 0.0000449600000000, 0.0008451200000000, 0.0011115000000000 ] - [ -0.0000449600000000, 0.0008451200000000, 0.0011115000000000 ] - [ 0.0001011000000000, 0.0002373500000000, 0.0001260000000000 ] - [ -0.0001011000000000, 0.0002373500000000, 0.0001260000000000 ] - [ -0.0066071400000000, -0.0151500100000000, 0.0090232900000000 ] - [ -0.0005617800000000, -0.0000072300000000, 0.0001230800000000 ] - [ 0.0001070500000000, -0.0000166700000000, -0.0000192900000000 ] - [ 0.0000077600000000, -0.0000956500000000, -0.0000194100000000 ] - [ 0.0045475600000000, -0.0028898800000000, 0.0024923600000000 ] - [ -0.0006272300000000, 0.0004860400000000, 0.0001073200000000 ] - [ 0.0001737800000000, -0.0000478500000000, 0.0000994000000000 ] - [ 0.0001048100000000, -0.0000202300000000, 0.0002108900000000 ] - [ 0.0005923400000000, 0.0002421200000000, -0.0001738100000000 ] - [ -0.0005923400000000, 0.0002421200000000, -0.0001738100000000 ] - [ 0.0000109000000000, 0.0000709200000000, 0.0000013000000000 ] - [ -0.0000109000000000, 0.0000709200000000, 0.0000013000000000 ] - [ -0.0009217000000000, -0.0001673300000000, -0.0009593100000000 ] - [ 0.0000607600000000, 0.0000696700000000, -0.0000498900000000 ] - [ 0.0001288100000000, -0.0004747900000000, -0.0001077400000000 ] - [ -0.0001164900000000, 0.0001795600000000, -0.0001778200000000 ] - [ -0.0000759500000000, -0.0000774200000000, 0.0001421500000000 ] - [ 0.0000050200000000, 0.0001311600000000, -0.0000221200000000 ] - [ 0.0004101800000000, -0.0000075900000000, -0.0005100500000000 ] - [ 0.0000508000000000, -0.0000459900000000, -0.0001404000000000 ] - [ 0.0001312400000000, -0.0000786600000000, 0.0000742300000000 ] - [ -0.0000553700000000, 0.0000843600000000, 0.0000178500000000 ] - [ -0.0001108900000000, -0.0010599500000000, 0.0008879100000000 ] - [ -0.0003520400000000, 0.0001796000000000, -0.0002513900000000 ] - [ 0.0001997900000000, 0.0000290700000000, 0.0000890700000000 ] - [ -0.0000560700000000, -0.0001145800000000, -0.0000453100000000 ] - [ -0.0021420200000000, -0.0026015000000000, 0.0054270100000000 ] - [ -0.0003516200000000, -0.0005798800000000, 0.0000066700000000 ] - [ -0.0001723000000000, -0.0007884000000000, 0.0000128200000000 ] - [ -0.0001381800000000, 0.0000095300000000, -0.0000058400000000 ] - [ -0.0002553600000000, -0.0000220300000000, 0.0001592400000000 ] - [ -0.0001275400000000, -0.0000243400000000, 0.0002031900000000 ] - [ -0.0013103300000000, 0.0019077400000000, -0.0005514600000000 ] - [ 0.0013103300000000, 0.0019077400000000, -0.0005514600000000 ] - [ -0.0000006300000000, 0.0001100600000000, 0.0000932900000000 ] - [ 0.0000006300000000, 0.0001100600000000, 0.0000932900000000 ] - [ -0.0001997900000000, 0.0000290700000000, 0.0000890700000000 ] - [ 0.0000560700000000, -0.0001145800000000, -0.0000453100000000 ] - [ 0.0021420200000000, -0.0026015000000000, 0.0054270100000000 ] - [ 0.0003516200000000, -0.0005798800000000, 0.0000066700000000 ] - [ -0.0000700900000000, 0.0005293600000000, 0.0002215700000000 ] - [ 0.0000700900000000, 0.0005293600000000, 0.0002215700000000 ] - [ 0.0000544200000000, 0.0005434000000000, -0.0004019200000000 ] - [ -0.0000544200000000, 0.0005434000000000, -0.0004019200000000 ] - [ 0.0002843300000000, -0.0008946900000000, -0.0003832300000000 ] - [ -0.0002843300000000, -0.0008946900000000, -0.0003832300000000 ] - [ 0.0000185900000000, -0.0001255500000000, 0.0000518000000000 ] - [ -0.0000185900000000, -0.0001255500000000, 0.0000518000000000 ] - [ -0.0001312400000000, -0.0000786600000000, 0.0000742300000000 ] - [ 0.0000553700000000, 0.0000843600000000, 0.0000178500000000 ] - [ 0.0001108900000000, -0.0010599500000000, 0.0008879100000000 ] - [ 0.0003520400000000, 0.0001796000000000, -0.0002513900000000 ] - [ 0.0000759500000000, -0.0000774200000000, 0.0001421500000000 ] - [ -0.0000050200000000, 0.0001311600000000, -0.0000221200000000 ] - [ -0.0004101800000000, -0.0000075900000000, -0.0005100500000000 ] - [ -0.0000508000000000, -0.0000459900000000, -0.0001404000000000 ] - [ 0.0000058800000000, -0.0004488200000000, 0.0002021100000000 ] - [ -0.0000058800000000, -0.0004488200000000, 0.0002021100000000 ] - [ 0.0000998500000000, -0.0002175400000000, -0.0001369700000000 ] - [ -0.0000998500000000, -0.0002175400000000, -0.0001369700000000 ] - [ 0.0001723000000000, -0.0007884000000000, 0.0000128200000000 ] - [ 0.0001381800000000, 0.0000095300000000, -0.0000058400000000 ] - [ 0.0002553600000000, -0.0000220300000000, 0.0001592400000000 ] - [ 0.0001275400000000, -0.0000243400000000, 0.0002031900000000 ] - [ -0.0024277500000000, -0.0095597600000000, -0.0054967900000000 ] - [ -0.0000081700000000, -0.0000289900000000, 0.0000512800000000 ] - [ 0.0002346800000000, 0.0000648200000000, -0.0001123000000000 ] - [ 0.0000071800000000, 0.0000339000000000, -0.0000498800000000 ] - [ 0.0024277500000000, -0.0095597600000000, -0.0054967900000000 ] - [ 0.0000081700000000, -0.0000289900000000, 0.0000512800000000 ] - [ -0.0002346800000000, 0.0000648200000000, -0.0001123000000000 ] - [ -0.0000071800000000, 0.0000339000000000, -0.0000498800000000 ] - [ 0.0005929600000000, 0.0006800100000000, -0.0001338900000000 ] - [ -0.0000493100000000, 0.0001714800000000, 0.0000122400000000 ] - [ -0.0001638400000000, 0.0001687200000000, -0.0002364000000000 ] - [ 0.0000380200000000, 0.0001350700000000, -0.0000590600000000 ] - [ -0.0005929600000000, 0.0006800100000000, -0.0001338900000000 ] - [ 0.0000493100000000, 0.0001714800000000, 0.0000122400000000 ] - [ 0.0001638400000000, 0.0001687200000000, -0.0002364000000000 ] - [ -0.0000380200000000, 0.0001350700000000, -0.0000590600000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0212746300000000, -0.0489241500000000 ] - [ 0.0000000000000000, 0.0003475700000000, -0.0004646400000000 ] - [ 0.0000000000000000, -0.0000943800000000, 0.0003558800000000 ] - [ 0.0000000000000000, -0.0001242100000000, 0.0001927200000000 ] - [ 0.0000000000000000, 0.0000342200000000, -0.0006943300000000 ] - [ 0.0000000000000000, -0.0002789400000000, -0.0002835900000000 ] - [ 0.0000000000000000, 0.0000780100000000, 0.0002457600000000 ] - [ 0.0000000000000000, 0.0001294600000000, 0.0001774600000000 ] - [ 0.0000000000000000, -0.0000211400000000, 0.0002374400000000 ] - [ 0.0000000000000000, -0.0001039000000000, 0.0000548400000000 ] - [ 0.0000000000000000, -0.0001283900000000, 0.0002372600000000 ] - [ 0.0000000000000000, -0.0002681300000000, 0.0000547000000000 ] - [ 0.0000000000000000, -0.0017580400000000, 0.0039243000000000 ] - [ 0.0000000000000000, 0.0001197600000000, 0.0001132200000000 ] - [ 0.0000000000000000, 0.0010735800000000, 0.0040034300000000 ] - [ 0.0000000000000000, 0.0004060400000000, 0.0001120300000000 ] - [ 0.0001873500000000, -0.0015142100000000, -0.0016373400000000 ] - [ -0.0003050000000000, 0.0001252200000000, 0.0000513200000000 ] - [ -0.0001603600000000, -0.0000268900000000, 0.0002077200000000 ] - [ -0.0000272600000000, -0.0000632600000000, 0.0000408800000000 ] - [ 0.0049679100000000, -0.0093799500000000, 0.0036861000000000 ] - [ 0.0004807700000000, 0.0000146500000000, 0.0001499500000000 ] - [ -0.0000096600000000, -0.0000157900000000, -0.0000857200000000 ] - [ -0.0000203900000000, -0.0000056400000000, -0.0001063200000000 ] - [ -0.0002638000000000, 0.0003594400000000, 0.0002885600000000 ] - [ 0.0001210500000000, 0.0002217400000000, 0.0001789400000000 ] - [ -0.0000074800000000, -0.0000152200000000, -0.0000995500000000 ] - [ -0.0000604600000000, -0.0000342200000000, -0.0000862600000000 ] - [ -0.0004318100000000, 0.0005083900000000, 0.0009246800000000 ] - [ 0.0001773300000000, -0.0000822900000000, -0.0003223200000000 ] - [ -0.0003559300000000, 0.0004127200000000, 0.0001106200000000 ] - [ -0.0002928200000000, -0.0000175500000000, 0.0002518300000000 ] - [ -0.0000113900000000, 0.0002221400000000, 0.0001045400000000 ] - [ 0.0000113900000000, 0.0002221400000000, 0.0001045400000000 ] - [ 0.0000468400000000, 0.0000304100000000, 0.0000699000000000 ] - [ -0.0000468400000000, 0.0000304100000000, 0.0000699000000000 ] - [ 0.0002638000000000, 0.0003594400000000, 0.0002885600000000 ] - [ -0.0001210500000000, 0.0002217400000000, 0.0001789400000000 ] - [ 0.0000074800000000, -0.0000152200000000, -0.0000995500000000 ] - [ 0.0000604600000000, -0.0000342200000000, -0.0000862600000000 ] - [ 0.0000139200000000, 0.0003320000000000, -0.0001666000000000 ] - [ -0.0000139200000000, 0.0003320000000000, -0.0001666000000000 ] - [ 0.0000053700000000, 0.0000710700000000, -0.0000224900000000 ] - [ -0.0000053700000000, 0.0000710700000000, -0.0000224900000000 ] - [ -0.0000655700000000, 0.0001282300000000, 0.0006145000000000 ] - [ 0.0000655700000000, 0.0001282300000000, 0.0006145000000000 ] - [ 0.0001003800000000, 0.0001281600000000, 0.0000088600000000 ] - [ -0.0001003800000000, 0.0001281600000000, 0.0000088600000000 ] - [ -0.0049679100000000, -0.0093799500000000, 0.0036861000000000 ] - [ -0.0004807700000000, 0.0000146500000000, 0.0001499500000000 ] - [ 0.0000096600000000, -0.0000157900000000, -0.0000857200000000 ] - [ 0.0000203900000000, -0.0000056400000000, -0.0001063200000000 ] - [ -0.0001873500000000, -0.0015142100000000, -0.0016373400000000 ] - [ 0.0003050000000000, 0.0001252200000000, 0.0000513200000000 ] - [ 0.0001603600000000, -0.0000268900000000, 0.0002077200000000 ] - [ 0.0000272600000000, -0.0000632600000000, 0.0000408800000000 ] - [ -0.0000478400000000, 0.0006701600000000, -0.0011595600000000 ] - [ 0.0000478400000000, 0.0006701600000000, -0.0011595600000000 ] - [ 0.0000146900000000, -0.0001583400000000, -0.0000049000000000 ] - [ -0.0000146900000000, -0.0001583400000000, -0.0000049000000000 ] - [ 0.0004318100000000, 0.0005083900000000, 0.0009246800000000 ] - [ -0.0001773300000000, -0.0000822900000000, -0.0003223200000000 ] - [ 0.0003559300000000, 0.0004127200000000, 0.0001106200000000 ] - [ 0.0002928200000000, -0.0000175500000000, 0.0002518300000000 ] - [ 0.0000557900000000, -0.0002245200000000, 0.0004710200000000 ] - [ -0.0002227600000000, -0.0003434700000000, 0.0002426600000000 ] - [ -0.0001448700000000, 0.0000164800000000, 0.0002394000000000 ] - [ 0.0001261100000000, 0.0000045200000000, -0.0001723800000000 ] - [ -0.0000210000000000, 0.0000152800000000, -0.0000107700000000 ] - [ 0.0000991500000000, -0.0001037500000000, -0.0001530200000000 ] - [ -0.0002778900000000, -0.0007410300000000, 0.0001365900000000 ] - [ -0.0002957400000000, 0.0001605600000000, 0.0000579600000000 ] - [ 0.0000694000000000, 0.0000220500000000, -0.0001361200000000 ] - [ 0.0000041600000000, 0.0000209900000000, -0.0000415500000000 ] - [ -0.0079734000000000, -0.0080083100000000, 0.0114797900000000 ] - [ -0.0006887100000000, 0.0001721700000000, 0.0002762200000000 ] - [ 0.0007029300000000, 0.0003139100000000, -0.0012883100000000 ] - [ -0.0000699200000000, -0.0001345300000000, 0.0002346900000000 ] - [ -0.0001219600000000, -0.0000148800000000, 0.0001690000000000 ] - [ -0.0000503100000000, -0.0000459300000000, 0.0000516000000000 ] - [ -0.0009112700000000, 0.0002420100000000, 0.0003534800000000 ] - [ 0.0009112700000000, 0.0002420100000000, 0.0003534800000000 ] - [ -0.0000121500000000, -0.0000635400000000, 0.0000108900000000 ] - [ 0.0000121500000000, -0.0000635400000000, 0.0000108900000000 ] - [ -0.0000694000000000, 0.0000220500000000, -0.0001361200000000 ] - [ -0.0000041600000000, 0.0000209900000000, -0.0000415500000000 ] - [ 0.0079734000000000, -0.0080083100000000, 0.0114797900000000 ] - [ 0.0006887100000000, 0.0001721700000000, 0.0002762200000000 ] - [ 0.0001433500000000, 0.0003403100000000, 0.0002718600000000 ] - [ -0.0001433500000000, 0.0003403100000000, 0.0002718600000000 ] - [ -0.0006015000000000, 0.0001357500000000, 0.0012903000000000 ] - [ 0.0006015000000000, 0.0001357500000000, 0.0012903000000000 ] - [ -0.0000809600000000, 0.0000855900000000, 0.0005412200000000 ] - [ 0.0000809600000000, 0.0000855900000000, 0.0005412200000000 ] - [ -0.0000680600000000, -0.0000650500000000, -0.0000030700000000 ] - [ 0.0000680600000000, -0.0000650500000000, -0.0000030700000000 ] - [ 0.0000210000000000, 0.0000152800000000, -0.0000107700000000 ] - [ -0.0000991500000000, -0.0001037500000000, -0.0001530200000000 ] - [ 0.0002778900000000, -0.0007410300000000, 0.0001365900000000 ] - [ 0.0002957400000000, 0.0001605600000000, 0.0000579600000000 ] - [ -0.0000557900000000, -0.0002245200000000, 0.0004710200000000 ] - [ 0.0002227600000000, -0.0003434700000000, 0.0002426600000000 ] - [ 0.0001448700000000, 0.0000164800000000, 0.0002394000000000 ] - [ -0.0001261100000000, 0.0000045200000000, -0.0001723800000000 ] - [ -0.0001093300000000, 0.0000513700000000, 0.0000015200000000 ] - [ 0.0001093300000000, 0.0000513700000000, 0.0000015200000000 ] - [ -0.0000102400000000, 0.0000554600000000, -0.0000052200000000 ] - [ 0.0000102400000000, 0.0000554600000000, -0.0000052200000000 ] - [ -0.0007029300000000, 0.0003139100000000, -0.0012883100000000 ] - [ 0.0000699200000000, -0.0001345300000000, 0.0002346900000000 ] - [ 0.0001219600000000, -0.0000148800000000, 0.0001690000000000 ] - [ 0.0000503100000000, -0.0000459300000000, 0.0000516000000000 ] - [ 0.0029758400000000, 0.0061098100000000, 0.0035779000000000 ] - [ 0.0000747200000000, 0.0001004300000000, 0.0000124100000000 ] - [ 0.0002292100000000, 0.0001227300000000, -0.0001158800000000 ] - [ -0.0000384000000000, 0.0000233700000000, -0.0000652300000000 ] - [ -0.0029758400000000, 0.0061098100000000, 0.0035779000000000 ] - [ -0.0000747200000000, 0.0001004300000000, 0.0000124100000000 ] - [ -0.0002292100000000, 0.0001227300000000, -0.0001158800000000 ] - [ 0.0000384000000000, 0.0000233700000000, -0.0000652300000000 ] - [ -0.0009942700000000, -0.0008388300000000, 0.0001203300000000 ] - [ -0.0000111900000000, 0.0001172500000000, 0.0000111200000000 ] - [ 0.0001578800000000, 0.0001480300000000, -0.0001783600000000 ] - [ 0.0001427700000000, 0.0000717200000000, -0.0000486100000000 ] - [ 0.0009942700000000, -0.0008388300000000, 0.0001203300000000 ] - [ 0.0000111900000000, 0.0001172500000000, 0.0000111200000000 ] - [ -0.0001578800000000, 0.0001480300000000, -0.0001783600000000 ] - [ -0.0001427700000000, 0.0000717200000000, -0.0000486100000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, -0.0208858800000000, 0.0482258600000000 ] - [ 0.0000000000000000, -0.0004754600000000, 0.0004655600000000 ] - [ 0.0000000000000000, -0.0000352400000000, -0.0003554900000000 ] - [ 0.0000000000000000, -0.0000105400000000, -0.0001909000000000 ] - [ 0.0000000000000000, 0.0001098300000000, 0.0006860300000000 ] - [ 0.0000000000000000, 0.0004174600000000, 0.0002841800000000 ] - [ 0.0000000000000000, 0.0000602800000000, -0.0002467900000000 ] - [ 0.0000000000000000, 0.0000072000000000, -0.0001757100000000 ] - [ 0.0000000000000000, -0.0001076000000000, -0.0002331700000000 ] - [ 0.0000000000000000, -0.0000245900000000, -0.0000509200000000 ] - [ 0.0000000000000000, -0.0000004800000000, -0.0002338100000000 ] - [ 0.0000000000000000, 0.0001378700000000, -0.0000513200000000 ] - [ 0.0000000000000000, 0.0019445900000000, -0.0040054800000000 ] - [ 0.0000000000000000, 0.0000188800000000, -0.0001116800000000 ] - [ 0.0000000000000000, -0.0009278600000000, -0.0039262800000000 ] - [ 0.0000000000000000, -0.0002707600000000, -0.0001124400000000 ] - [ -0.0001610300000000, 0.0015624800000000, 0.0016641800000000 ] - [ 0.0002779100000000, -0.0001242000000000, 0.0000032600000000 ] - [ 0.0001397900000000, 0.0000259900000000, -0.0001582500000000 ] - [ 0.0000058000000000, 0.0000639800000000, 0.0000093300000000 ] - [ -0.0049901300000000, 0.0094855900000000, -0.0037033800000000 ] - [ -0.0004913800000000, -0.0000326700000000, -0.0001604100000000 ] - [ -0.0000009700000000, -0.0000024300000000, 0.0000708700000000 ] - [ 0.0000090400000000, -0.0000110200000000, 0.0000902700000000 ] - [ 0.0002528800000000, -0.0003464300000000, -0.0003147900000000 ] - [ -0.0001316700000000, -0.0002051900000000, -0.0001969100000000 ] - [ -0.0000033400000000, 0.0000305700000000, 0.0000836200000000 ] - [ 0.0000492000000000, 0.0000496000000000, 0.0000707600000000 ] - [ 0.0003592400000000, -0.0005092000000000, -0.0008980400000000 ] - [ -0.0002471700000000, 0.0000820000000000, 0.0003469700000000 ] - [ 0.0002985600000000, -0.0004145800000000, -0.0000995400000000 ] - [ 0.0002199700000000, 0.0000053300000000, -0.0002220400000000 ] - [ 0.0000081700000000, -0.0001537700000000, -0.0001047200000000 ] - [ -0.0000081700000000, -0.0001537700000000, -0.0001047200000000 ] - [ -0.0000484500000000, 0.0000364100000000, -0.0000678500000000 ] - [ 0.0000484500000000, 0.0000364100000000, -0.0000678500000000 ] - [ -0.0002528800000000, -0.0003464300000000, -0.0003147900000000 ] - [ 0.0001316700000000, -0.0002051900000000, -0.0001969100000000 ] - [ 0.0000033400000000, 0.0000305700000000, 0.0000836200000000 ] - [ -0.0000492000000000, 0.0000496000000000, 0.0000707600000000 ] - [ -0.0000107400000000, -0.0002360700000000, 0.0001470500000000 ] - [ 0.0000107400000000, -0.0002360700000000, 0.0001470500000000 ] - [ -0.0000047500000000, 0.0000247400000000, 0.0000031000000000 ] - [ 0.0000047500000000, 0.0000247400000000, 0.0000031000000000 ] - [ 0.0000801500000000, -0.0001971900000000, -0.0006020200000000 ] - [ -0.0000801500000000, -0.0001971900000000, -0.0006020200000000 ] - [ -0.0001004000000000, -0.0001954800000000, -0.0000057300000000 ] - [ 0.0001004000000000, -0.0001954800000000, -0.0000057300000000 ] - [ 0.0049901300000000, 0.0094855900000000, -0.0037033800000000 ] - [ 0.0004913800000000, -0.0000326700000000, -0.0001604100000000 ] - [ 0.0000009700000000, -0.0000024300000000, 0.0000708700000000 ] - [ -0.0000090400000000, -0.0000110200000000, 0.0000902700000000 ] - [ 0.0001610300000000, 0.0015624800000000, 0.0016641800000000 ] - [ -0.0002779100000000, -0.0001242000000000, 0.0000032600000000 ] - [ -0.0001397900000000, 0.0000259900000000, -0.0001582500000000 ] - [ -0.0000058000000000, 0.0000639800000000, 0.0000093300000000 ] - [ 0.0000618100000000, -0.0007806900000000, 0.0011558600000000 ] - [ -0.0000618100000000, -0.0007806900000000, 0.0011558600000000 ] - [ -0.0000145300000000, 0.0000607900000000, -0.0000140400000000 ] - [ 0.0000145300000000, 0.0000607900000000, -0.0000140400000000 ] - [ -0.0003592400000000, -0.0005092000000000, -0.0008980400000000 ] - [ 0.0002471700000000, 0.0000820000000000, 0.0003469700000000 ] - [ -0.0002985600000000, -0.0004145800000000, -0.0000995400000000 ] - [ -0.0002199700000000, 0.0000053300000000, -0.0002220400000000 ] - [ -0.0000851500000000, 0.0002422600000000, -0.0004188100000000 ] - [ 0.0001971900000000, 0.0003485400000000, -0.0001934000000000 ] - [ 0.0001211300000000, -0.0000163800000000, -0.0001846700000000 ] - [ -0.0001472100000000, -0.0000055000000000, 0.0002230100000000 ] - [ 0.0000103500000000, -0.0000323300000000, -0.0000059300000000 ] - [ -0.0001108600000000, 0.0000870400000000, 0.0001387800000000 ] - [ 0.0002643500000000, 0.0007229100000000, -0.0001433800000000 ] - [ 0.0002857300000000, -0.0001789400000000, -0.0000703300000000 ] - [ -0.0000826700000000, -0.0000058900000000, 0.0001191000000000 ] - [ -0.0000147500000000, -0.0000050000000000, 0.0000249500000000 ] - [ 0.0077889000000000, 0.0077489700000000, -0.0111107100000000 ] - [ 0.0006695300000000, -0.0001526700000000, -0.0002878100000000 ] - [ -0.0007715700000000, -0.0003241300000000, 0.0013054500000000 ] - [ -0.0000012200000000, 0.0001339800000000, -0.0002133600000000 ] - [ 0.0000525000000000, 0.0000137600000000, -0.0001444100000000 ] - [ -0.0000190100000000, 0.0000454000000000, -0.0000276000000000 ] - [ 0.0009266500000000, -0.0001704400000000, -0.0003663600000000 ] - [ -0.0009266500000000, -0.0001704400000000, -0.0003663600000000 ] - [ 0.0000122000000000, 0.0001304000000000, -0.0000088700000000 ] - [ -0.0000122000000000, 0.0001304000000000, -0.0000088700000000 ] - [ 0.0000826700000000, -0.0000058900000000, 0.0001191000000000 ] - [ 0.0000147500000000, -0.0000050000000000, 0.0000249500000000 ] - [ -0.0077889000000000, 0.0077489700000000, -0.0111107100000000 ] - [ -0.0006695300000000, -0.0001526700000000, -0.0002878100000000 ] - [ -0.0001461500000000, -0.0002469300000000, -0.0002959500000000 ] - [ 0.0001461500000000, -0.0002469300000000, -0.0002959500000000 ] - [ 0.0005993800000000, -0.0000438700000000, -0.0012923900000000 ] - [ -0.0005993800000000, -0.0000438700000000, -0.0012923900000000 ] - [ 0.0000833300000000, -0.0001479000000000, -0.0005352200000000 ] - [ -0.0000833300000000, -0.0001479000000000, -0.0005352200000000 ] - [ 0.0000688500000000, -0.0000005000000000, 0.0000069800000000 ] - [ -0.0000688500000000, -0.0000005000000000, 0.0000069800000000 ] - [ -0.0000103500000000, -0.0000323300000000, -0.0000059300000000 ] - [ 0.0001108600000000, 0.0000870400000000, 0.0001387800000000 ] - [ -0.0002643500000000, 0.0007229100000000, -0.0001433800000000 ] - [ -0.0002857300000000, -0.0001789400000000, -0.0000703300000000 ] - [ 0.0000851500000000, 0.0002422600000000, -0.0004188100000000 ] - [ -0.0001971900000000, 0.0003485400000000, -0.0001934000000000 ] - [ -0.0001211300000000, -0.0000163800000000, -0.0001846700000000 ] - [ 0.0001472100000000, -0.0000055000000000, 0.0002230100000000 ] - [ 0.0001065300000000, -0.0001514400000000, -0.0000200100000000 ] - [ -0.0001065300000000, -0.0001514400000000, -0.0000200100000000 ] - [ 0.0000046100000000, -0.0001527000000000, -0.0000071300000000 ] - [ -0.0000046100000000, -0.0001527000000000, -0.0000071300000000 ] - [ 0.0007715700000000, -0.0003241300000000, 0.0013054500000000 ] - [ 0.0000012200000000, 0.0001339800000000, -0.0002133600000000 ] - [ -0.0000525000000000, 0.0000137600000000, -0.0001444100000000 ] - [ 0.0000190100000000, 0.0000454000000000, -0.0000276000000000 ] - [ -0.0029270600000000, -0.0062742000000000, -0.0036234500000000 ] - [ -0.0000218200000000, -0.0000985800000000, -0.0000434100000000 ] - [ -0.0001728700000000, -0.0001203700000000, 0.0000874800000000 ] - [ 0.0000914100000000, -0.0000251300000000, 0.0000346200000000 ] - [ 0.0029270600000000, -0.0062742000000000, -0.0036234500000000 ] - [ 0.0000218200000000, -0.0000985800000000, -0.0000434100000000 ] - [ 0.0001728700000000, -0.0001203700000000, 0.0000874800000000 ] - [ -0.0000914100000000, -0.0000251300000000, 0.0000346200000000 ] - [ 0.0010339800000000, 0.0008241400000000, -0.0001537600000000 ] - [ 0.0000649300000000, -0.0001183700000000, -0.0000416700000000 ] - [ -0.0001074800000000, -0.0001508400000000, 0.0001493400000000 ] - [ -0.0000888100000000, -0.0000726600000000, 0.0000175800000000 ] - [ -0.0010339800000000, 0.0008241400000000, -0.0001537600000000 ] - [ -0.0000649300000000, -0.0001183700000000, -0.0000416700000000 ] - [ 0.0001074800000000, -0.0001508400000000, 0.0001493400000000 ] - [ 0.0000888100000000, -0.0000726600000000, 0.0000175800000000 ]- atom: 17 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0026709100000000, 0.0044763600000000, 0.0001632800000000 ] - [ 0.0005718600000000, -0.0006976900000000, -0.0002852900000000 ] - [ 0.0000414300000000, 0.0000997600000000, -0.0001494500000000 ] - [ -0.0000236900000000, 0.0000298200000000, -0.0000150700000000 ] - [ 0.0026709100000000, -0.0044763600000000, 0.0001632800000000 ] - [ 0.0005718600000000, 0.0006976900000000, -0.0002852900000000 ] - [ 0.0000414300000000, -0.0000997600000000, -0.0001494500000000 ] - [ -0.0000236900000000, -0.0000298200000000, -0.0000150700000000 ] - [ 0.0000563000000000, -0.0004888600000000, -0.0001326100000000 ] - [ -0.0000227400000000, -0.0001255100000000, 0.0001390600000000 ] - [ 0.0003534100000000, -0.0000088300000000, 0.0000741600000000 ] - [ -0.0000745000000000, -0.0000811300000000, -0.0002102800000000 ] - [ 0.0000563000000000, 0.0004888600000000, -0.0001326100000000 ] - [ -0.0000227400000000, 0.0001255100000000, 0.0001390600000000 ] - [ 0.0003534100000000, 0.0000088300000000, 0.0000741600000000 ] - [ -0.0000745000000000, 0.0000811300000000, -0.0002102800000000 ] - [ -0.2969138100000000, 0.0000000000000000, 0.0617553800000000 ] - [ -0.0002216200000000, 0.0000000000000000, -0.0003492000000000 ] - [ -0.0001274900000000, 0.0000000000000000, 0.0002305400000000 ] - [ 0.0000302000000000, 0.0000000000000000, 0.0001362900000000 ] - [ -0.0001646800000000, -0.0002841900000000, 0.0002123900000000 ] - [ 0.0000346300000000, 0.0000131100000000, -0.0000530300000000 ] - [ -0.0000518200000000, 0.0000048900000000, 0.0001193900000000 ] - [ -0.0000515000000000, 0.0000148100000000, 0.0000218000000000 ] - [ -0.0001646800000000, 0.0002841900000000, 0.0002123900000000 ] - [ 0.0000346300000000, -0.0000131100000000, -0.0000530300000000 ] - [ -0.0000518200000000, -0.0000048900000000, 0.0001193900000000 ] - [ -0.0000515000000000, -0.0000148100000000, 0.0000218000000000 ] - [ 0.0023321800000000, 0.0000000000000000, 0.0007288900000000 ] - [ 0.0007078800000000, 0.0000000000000000, 0.0003179900000000 ] - [ 0.0009739200000000, 0.0000000000000000, -0.0001092200000000 ] - [ 0.0025373400000000, 0.0000000000000000, 0.0016442600000000 ] - [ -0.0000914500000000, -0.0000544300000000, 0.0000125600000000 ] - [ -0.0000044800000000, -0.0000270700000000, 0.0000543400000000 ] - [ 0.0013748400000000, 0.0004044000000000, 0.0005166200000000 ] - [ -0.0000897700000000, 0.0000920000000000, -0.0000963400000000 ] - [ 0.0000978400000000, 0.0000286400000000, -0.0000770200000000 ] - [ 0.0000903700000000, 0.0001532300000000, 0.0000361600000000 ] - [ 0.0000220000000000, -0.0000005200000000, 0.0000158200000000 ] - [ -0.0000285300000000, 0.0003328800000000, -0.0002275400000000 ] - [ 0.0005689100000000, 0.0005458200000000, 0.0014323700000000 ] - [ 0.0000907900000000, -0.0000229600000000, 0.0000091600000000 ] - [ 0.0001812400000000, -0.0002478200000000, 0.0001588900000000 ] - [ -0.0000254100000000, 0.0000058900000000, -0.0000342600000000 ] - [ -0.0000914500000000, 0.0000544300000000, 0.0000125600000000 ] - [ -0.0000044800000000, 0.0000270700000000, 0.0000543400000000 ] - [ 0.0013748400000000, -0.0004044000000000, 0.0005166200000000 ] - [ -0.0000897700000000, -0.0000920000000000, -0.0000963400000000 ] - [ 0.0000978400000000, -0.0000286400000000, -0.0000770200000000 ] - [ 0.0000903700000000, -0.0001532300000000, 0.0000361600000000 ] - [ 0.0000220000000000, 0.0000005200000000, 0.0000158200000000 ] - [ -0.0000285300000000, -0.0003328800000000, -0.0002275400000000 ] - [ 0.0022752000000000, 0.0000000000000000, -0.0010005800000000 ] - [ 0.0932878700000000, 0.0000000000000000, 0.0013562100000000 ] - [ 0.0000098600000000, 0.0000000000000000, -0.0001085500000000 ] - [ 0.0000036400000000, 0.0000000000000000, 0.0002257800000000 ] - [ 0.0005689100000000, -0.0005458200000000, 0.0014323700000000 ] - [ 0.0000907900000000, 0.0000229600000000, 0.0000091600000000 ] - [ 0.0001812400000000, 0.0002478200000000, 0.0001588900000000 ] - [ -0.0000254100000000, -0.0000058900000000, -0.0000342600000000 ] - [ -0.0057858500000000, 0.0000000000000000, 0.0022852800000000 ] - [ 0.0006178400000000, 0.0000000000000000, -0.0001341300000000 ] - [ 0.0008641600000000, 0.0000000000000000, 0.0007150500000000 ] - [ 0.0013524900000000, 0.0000000000000000, 0.0000511200000000 ] - [ -0.0001410600000000, 0.0000000000000000, -0.0001769400000000 ] - [ -0.0000267100000000, 0.0000000000000000, 0.0000514800000000 ] - [ -0.0001415300000000, 0.0000000000000000, -0.0001551500000000 ] - [ -0.0000264000000000, 0.0000000000000000, 0.0000515800000000 ] - [ 0.0005200600000000, -0.0003564800000000, 0.0009350500000000 ] - [ -0.0000344100000000, 0.0001615700000000, 0.0000069800000000 ] - [ 0.0225906800000000, -0.0094514400000000, 0.0075447600000000 ] - [ 0.0002429500000000, -0.0003288100000000, -0.0008696300000000 ] - [ 0.0005200600000000, 0.0003564800000000, 0.0009350500000000 ] - [ -0.0000344100000000, -0.0001615700000000, 0.0000069800000000 ] - [ 0.0225906800000000, 0.0094514400000000, 0.0075447600000000 ] - [ 0.0002429500000000, 0.0003288100000000, -0.0008696300000000 ] - [ -0.0000530000000000, 0.0000000000000000, 0.0001028300000000 ] - [ 0.0005093700000000, 0.0000000000000000, -0.0001583400000000 ] - [ -0.0000368100000000, 0.0000000000000000, 0.0000159500000000 ] - [ 0.0002882100000000, 0.0000000000000000, 0.0002506300000000 ] - [ 0.0145327600000000, -0.0136283600000000, -0.0085829300000000 ] - [ -0.0003296000000000, 0.0002358400000000, 0.0003144800000000 ] - [ -0.0002724700000000, 0.0000443800000000, 0.0001885300000000 ] - [ -0.0001021500000000, 0.0001613900000000, -0.0000357400000000 ] - [ 0.0000028900000000, 0.0000053500000000, 0.0000264400000000 ] - [ 0.0001401700000000, -0.0000737400000000, -0.0000996000000000 ] - [ 0.0044446700000000, 0.0036849500000000, 0.0054410800000000 ] - [ 0.0065900000000000, -0.0040836700000000, -0.0057083400000000 ] - [ -0.0000880500000000, 0.0004263300000000, 0.0000219700000000 ] - [ 0.0000486200000000, 0.0000402700000000, 0.0000097000000000 ] - [ -0.0024162000000000, 0.0005855700000000, -0.0049641300000000 ] - [ 0.0001102300000000, -0.0006924600000000, -0.0005188100000000 ] - [ 0.0145327600000000, 0.0136283600000000, -0.0085829300000000 ] - [ -0.0003296000000000, -0.0002358400000000, 0.0003144800000000 ] - [ -0.0002724700000000, -0.0000443800000000, 0.0001885300000000 ] - [ -0.0001021500000000, -0.0001613900000000, -0.0000357400000000 ] - [ 0.0000028900000000, -0.0000053500000000, 0.0000264400000000 ] - [ 0.0001401700000000, 0.0000737400000000, -0.0000996000000000 ] - [ 0.0044446700000000, -0.0036849500000000, 0.0054410800000000 ] - [ 0.0065900000000000, 0.0040836700000000, -0.0057083400000000 ] - [ 0.0000251700000000, 0.0000000000000000, 0.0000060100000000 ] - [ 0.0001275900000000, 0.0000000000000000, -0.0001800300000000 ] - [ 0.0000258200000000, 0.0000000000000000, 0.0000700700000000 ] - [ 0.0001274400000000, 0.0000000000000000, -0.0004400700000000 ] - [ -0.0000880500000000, -0.0004263300000000, 0.0000219700000000 ] - [ 0.0000486200000000, -0.0000402700000000, 0.0000097000000000 ] - [ -0.0024162000000000, -0.0005855700000000, -0.0049641300000000 ] - [ 0.0001102300000000, 0.0006924600000000, -0.0005188100000000 ] - [ -0.0003600300000000, 0.0000000000000000, -0.0004719700000000 ] - [ 0.0000746200000000, 0.0000000000000000, -0.0000007900000000 ] - [ -0.0000913600000000, 0.0000000000000000, 0.0001765100000000 ] - [ 0.0000271000000000, 0.0000000000000000, 0.0000396600000000 ] - [ 0.0663325300000000, 0.0000000000000000, -0.0404771900000000 ] - [ -0.0007303400000000, 0.0000000000000000, -0.0002819800000000 ] - [ 0.0000649000000000, 0.0000000000000000, 0.0000739600000000 ] - [ 0.0002275300000000, 0.0000000000000000, -0.0003287700000000 ] - [ 0.0215869200000000, 0.0000000000000000, -0.0200705900000000 ] - [ 0.0059177000000000, 0.0000000000000000, 0.0033759800000000 ] - [ 0.0001138200000000, 0.0000000000000000, -0.0001297300000000 ] - [ 0.0012356100000000, 0.0000000000000000, 0.0002161100000000 ] - [ -0.0000411100000000, 0.0000000000000000, -0.0000813900000000 ] - [ 0.0000375600000000, 0.0000000000000000, 0.0000342400000000 ] - [ -0.0000117900000000, 0.0000000000000000, -0.0000295500000000 ] - [ 0.0000252300000000, 0.0000000000000000, -0.0000286200000000 ] - [ 0.0000297300000000, 0.0000000000000000, 0.0000159100000000 ] - [ -0.0000335000000000, 0.0000000000000000, 0.0000386600000000 ] - [ 0.0000090300000000, 0.0000000000000000, -0.0000022800000000 ] - [ -0.0000483300000000, 0.0000000000000000, -0.0000411300000000 ]- atom: 17 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0026412600000000, -0.0044708600000000, -0.0001849300000000 ] - [ -0.0005749300000000, 0.0005714800000000, 0.0002969700000000 ] - [ -0.0000421000000000, -0.0002281900000000, 0.0001508500000000 ] - [ 0.0000235300000000, -0.0001598200000000, 0.0000171500000000 ] - [ -0.0026412600000000, 0.0044708600000000, -0.0001849300000000 ] - [ -0.0005749300000000, -0.0005714800000000, 0.0002969700000000 ] - [ -0.0000421000000000, 0.0002281900000000, 0.0001508500000000 ] - [ 0.0000235300000000, 0.0001598200000000, 0.0000171500000000 ] - [ -0.0000578900000000, 0.0003560000000000, 0.0001336200000000 ] - [ 0.0000233500000000, -0.0000046300000000, -0.0001348300000000 ] - [ -0.0003564200000000, -0.0001281200000000, -0.0000657700000000 ] - [ 0.0000767400000000, -0.0000478500000000, 0.0002084100000000 ] - [ -0.0000578900000000, -0.0003560000000000, 0.0001336200000000 ] - [ 0.0000233500000000, 0.0000046300000000, -0.0001348300000000 ] - [ -0.0003564200000000, 0.0001281200000000, -0.0000657700000000 ] - [ 0.0000767400000000, 0.0000478500000000, 0.0002084100000000 ] - [ 0.3029946500000000, 0.0000000000000000, -0.0605602700000000 ] - [ 0.0001879400000000, 0.0000000000000000, 0.0003926100000000 ] - [ 0.0000997200000000, 0.0000000000000000, -0.0001854300000000 ] - [ -0.0000543100000000, 0.0000000000000000, -0.0000844800000000 ] - [ 0.0001507600000000, 0.0002614700000000, -0.0002299100000000 ] - [ -0.0000460000000000, -0.0000377900000000, 0.0000392200000000 ] - [ 0.0000391600000000, -0.0000278700000000, -0.0001333100000000 ] - [ 0.0000391700000000, -0.0000382000000000, -0.0000357500000000 ] - [ 0.0001507600000000, -0.0002614700000000, -0.0002299100000000 ] - [ -0.0000460000000000, 0.0000377900000000, 0.0000392200000000 ] - [ 0.0000391600000000, 0.0000278700000000, -0.0001333100000000 ] - [ 0.0000391700000000, 0.0000382000000000, -0.0000357500000000 ] - [ -0.0023568800000000, 0.0000000000000000, -0.0007489700000000 ] - [ -0.0007864700000000, 0.0000000000000000, -0.0002945700000000 ] - [ -0.0010886200000000, 0.0000000000000000, 0.0001420400000000 ] - [ -0.0026038700000000, 0.0000000000000000, -0.0016466400000000 ] - [ 0.0000934300000000, 0.0001222900000000, -0.0000097300000000 ] - [ 0.0000045900000000, 0.0000941400000000, -0.0000503800000000 ] - [ -0.0013758500000000, -0.0003393300000000, -0.0005222500000000 ] - [ 0.0000886300000000, -0.0000226900000000, 0.0000989200000000 ] - [ -0.0000845700000000, -0.0000047200000000, 0.0000616500000000 ] - [ -0.0000767000000000, -0.0001316800000000, -0.0000518300000000 ] - [ -0.0000094900000000, 0.0000240900000000, -0.0000290100000000 ] - [ 0.0000407000000000, -0.0003104300000000, 0.0002132200000000 ] - [ -0.0005681200000000, -0.0004188000000000, -0.0014545800000000 ] - [ -0.0000923900000000, 0.0001175900000000, -0.0000287700000000 ] - [ -0.0001805300000000, 0.0003470000000000, -0.0001773000000000 ] - [ 0.0000253000000000, 0.0000911100000000, 0.0000159800000000 ] - [ 0.0000934300000000, -0.0001222900000000, -0.0000097300000000 ] - [ 0.0000045900000000, -0.0000941400000000, -0.0000503800000000 ] - [ -0.0013758500000000, 0.0003393300000000, -0.0005222500000000 ] - [ 0.0000886300000000, 0.0000226900000000, 0.0000989200000000 ] - [ -0.0000845700000000, 0.0000047200000000, 0.0000616500000000 ] - [ -0.0000767000000000, 0.0001316800000000, -0.0000518300000000 ] - [ -0.0000094900000000, -0.0000240900000000, -0.0000290100000000 ] - [ 0.0000407000000000, 0.0003104300000000, 0.0002132200000000 ] - [ -0.0020987000000000, 0.0000000000000000, 0.0010633300000000 ] - [ -0.0991801400000000, 0.0000000000000000, -0.0011382300000000 ] - [ 0.0000146600000000, 0.0000000000000000, 0.0001574300000000 ] - [ 0.0000218300000000, 0.0000000000000000, -0.0001736500000000 ] - [ -0.0005681200000000, 0.0004188000000000, -0.0014545800000000 ] - [ -0.0000923900000000, -0.0001175900000000, -0.0000287700000000 ] - [ -0.0001805300000000, -0.0003470000000000, -0.0001773000000000 ] - [ 0.0000253000000000, -0.0000911100000000, 0.0000159800000000 ] - [ 0.0058588800000000, 0.0000000000000000, -0.0021892100000000 ] - [ -0.0005517600000000, 0.0000000000000000, 0.0001554000000000 ] - [ -0.0007331300000000, 0.0000000000000000, -0.0007434800000000 ] - [ -0.0012801300000000, 0.0000000000000000, -0.0000386700000000 ] - [ 0.0001177200000000, 0.0000000000000000, 0.0002258300000000 ] - [ 0.0000017100000000, 0.0000000000000000, -0.0000016400000000 ] - [ 0.0001174900000000, 0.0000000000000000, 0.0002060700000000 ] - [ 0.0000023000000000, 0.0000000000000000, -0.0000022600000000 ] - [ -0.0005301200000000, 0.0003329200000000, -0.0009530000000000 ] - [ 0.0000228200000000, -0.0001843300000000, -0.0000219600000000 ] - [ -0.0227304200000000, 0.0092110700000000, -0.0074128400000000 ] - [ -0.0002600400000000, 0.0002998800000000, 0.0008702200000000 ] - [ -0.0005301200000000, -0.0003329200000000, -0.0009530000000000 ] - [ 0.0000228200000000, 0.0001843300000000, -0.0000219600000000 ] - [ -0.0227304200000000, -0.0092110700000000, -0.0074128400000000 ] - [ -0.0002600400000000, -0.0002998800000000, 0.0008702200000000 ] - [ -0.0000135600000000, 0.0000000000000000, -0.0000789300000000 ] - [ -0.0005799200000000, 0.0000000000000000, 0.0001818800000000 ] - [ -0.0000296200000000, 0.0000000000000000, 0.0000076600000000 ] - [ -0.0003557100000000, 0.0000000000000000, -0.0002275600000000 ] - [ -0.0147643800000000, 0.0140986800000000, 0.0087984700000000 ] - [ 0.0003236500000000, -0.0001629500000000, -0.0003075900000000 ] - [ 0.0002779600000000, 0.0000250400000000, -0.0001835200000000 ] - [ 0.0001025500000000, -0.0000919900000000, 0.0000401900000000 ] - [ 0.0000082300000000, 0.0000164000000000, -0.0000360900000000 ] - [ -0.0001273400000000, 0.0000941100000000, 0.0000894000000000 ] - [ -0.0043679600000000, -0.0036181700000000, -0.0054306600000000 ] - [ -0.0067336300000000, 0.0041429000000000, 0.0057971400000000 ] - [ 0.0000896300000000, -0.0003291600000000, -0.0000344100000000 ] - [ -0.0000489800000000, 0.0000597700000000, -0.0000250000000000 ] - [ 0.0024037200000000, -0.0004591800000000, 0.0048973400000000 ] - [ -0.0000938400000000, 0.0007981000000000, 0.0004997400000000 ] - [ -0.0147643800000000, -0.0140986800000000, 0.0087984700000000 ] - [ 0.0003236500000000, 0.0001629500000000, -0.0003075900000000 ] - [ 0.0002779600000000, -0.0000250400000000, -0.0001835200000000 ] - [ 0.0001025500000000, 0.0000919900000000, 0.0000401900000000 ] - [ 0.0000082300000000, -0.0000164000000000, -0.0000360900000000 ] - [ -0.0001273400000000, -0.0000941100000000, 0.0000894000000000 ] - [ -0.0043679600000000, 0.0036181700000000, -0.0054306600000000 ] - [ -0.0067336300000000, -0.0041429000000000, 0.0057971400000000 ] - [ -0.0000009300000000, 0.0000000000000000, 0.0000432700000000 ] - [ -0.0001034100000000, 0.0000000000000000, 0.0002308400000000 ] - [ -0.0000005500000000, 0.0000000000000000, -0.0000192800000000 ] - [ -0.0001037600000000, 0.0000000000000000, 0.0004912400000000 ] - [ 0.0000896300000000, 0.0003291600000000, -0.0000344100000000 ] - [ -0.0000489800000000, -0.0000597700000000, -0.0000250000000000 ] - [ 0.0024037200000000, 0.0004591800000000, 0.0048973400000000 ] - [ -0.0000938400000000, -0.0007981000000000, 0.0004997400000000 ] - [ 0.0004273000000000, 0.0000000000000000, 0.0004968300000000 ] - [ -0.0000071100000000, 0.0000000000000000, 0.0000258900000000 ] - [ 0.0001586700000000, 0.0000000000000000, -0.0001535800000000 ] - [ 0.0000391500000000, 0.0000000000000000, -0.0000158200000000 ] - [ -0.0660324400000000, 0.0000000000000000, 0.0385162800000000 ] - [ 0.0007531500000000, 0.0000000000000000, 0.0002536200000000 ] - [ -0.0000146200000000, 0.0000000000000000, -0.0001172900000000 ] - [ -0.0001899500000000, 0.0000000000000000, 0.0002985100000000 ] - [ -0.0213160600000000, 0.0000000000000000, 0.0198701800000000 ] - [ -0.0060676700000000, 0.0000000000000000, -0.0034522800000000 ] - [ -0.0001489200000000, 0.0000000000000000, 0.0000998600000000 ] - [ -0.0012730900000000, 0.0000000000000000, -0.0002466800000000 ] - [ 0.0000840600000000, 0.0000000000000000, 0.0000473200000000 ] - [ 0.0000079000000000, 0.0000000000000000, -0.0000673300000000 ] - [ 0.0000543900000000, 0.0000000000000000, -0.0000032900000000 ] - [ 0.0000174300000000, 0.0000000000000000, -0.0000054800000000 ] - [ -0.0000727700000000, 0.0000000000000000, -0.0000483300000000 ] - [ -0.0000113900000000, 0.0000000000000000, -0.0000715500000000 ] - [ -0.0000517900000000, 0.0000000000000000, -0.0000297900000000 ] - [ 0.0000064100000000, 0.0000000000000000, 0.0000084500000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0045410100000000, 0.0028489000000000, -0.0015573400000000 ] - [ -0.0004529700000000, -0.0005431600000000, 0.0001254100000000 ] - [ -0.0000236400000000, -0.0000152700000000, -0.0000275400000000 ] - [ 0.0000306800000000, -0.0000458900000000, -0.0000624000000000 ] - [ -0.0043693300000000, 0.0028567300000000, 0.0015206900000000 ] - [ 0.0004469100000000, -0.0004133800000000, -0.0001235400000000 ] - [ 0.0000231200000000, 0.0001158700000000, 0.0000246400000000 ] - [ -0.0000303400000000, 0.0000871800000000, 0.0000657000000000 ] - [ 0.0000108000000000, -0.0000575400000000, 0.0000151500000000 ] - [ -0.0000068800000000, -0.0000174100000000, 0.0000059300000000 ] - [ -0.0000232400000000, 0.0000168100000000, -0.0002287100000000 ] - [ 0.0001989200000000, -0.0001934300000000, -0.0003461200000000 ] - [ -0.0000106000000000, 0.0000730100000000, -0.0000188700000000 ] - [ 0.0000059500000000, 0.0001157800000000, -0.0000058000000000 ] - [ 0.0000244200000000, 0.0001545800000000, 0.0002365600000000 ] - [ -0.0001975700000000, -0.0000611900000000, 0.0003453500000000 ] - [ 0.0009004200000000, -0.1777334700000000, -0.0018786900000000 ] - [ -0.0000112200000000, -0.0000001600000000, 0.0000249900000000 ] - [ -0.0000147900000000, -0.0000132200000000, 0.0000243900000000 ] - [ -0.0000117200000000, -0.0001396400000000, 0.0000253200000000 ] - [ -0.0001223900000000, -0.0005889400000000, -0.0001044300000000 ] - [ -0.0000268000000000, -0.0000114100000000, 0.0000489300000000 ] - [ 0.0000303100000000, -0.0000437700000000, -0.0001327900000000 ] - [ 0.0000279000000000, 0.0000124800000000, 0.0000019200000000 ] - [ 0.0001115400000000, -0.0005712100000000, 0.0000894600000000 ] - [ 0.0000165200000000, 0.0000078300000000, -0.0000626000000000 ] - [ -0.0000418500000000, -0.0000240300000000, 0.0001182400000000 ] - [ -0.0000388100000000, 0.0000319700000000, -0.0000166100000000 ] - [ -0.0000354200000000, -0.0075911400000000, 0.0000126200000000 ] - [ -0.0000336300000000, 0.0001682900000000, 0.0000095200000000 ] - [ -0.0000414200000000, 0.0012510200000000, 0.0000141100000000 ] - [ -0.0000297100000000, 0.0055274400000000, 0.0000017700000000 ] - [ -0.0002429300000000, -0.0000374800000000, -0.0000113200000000 ] - [ -0.0000400700000000, 0.0001017500000000, -0.0000394000000000 ] - [ 0.0012770300000000, -0.0007707900000000, -0.0006386100000000 ] - [ -0.0000273800000000, -0.0000548400000000, -0.0000350500000000 ] - [ -0.0000778900000000, 0.0000515300000000, 0.0000044200000000 ] - [ -0.0000536000000000, 0.0003028400000000, -0.0002537400000000 ] - [ 0.0000051500000000, 0.0000373100000000, -0.0000217100000000 ] - [ -0.0001445600000000, 0.0001704700000000, -0.0001408000000000 ] - [ 0.0024336800000000, 0.0045779500000000, -0.0023210400000000 ] - [ 0.0000405500000000, 0.0000128700000000, -0.0000994300000000 ] - [ 0.0001696000000000, 0.0002346900000000, 0.0000206600000000 ] - [ 0.0000251800000000, 0.0001298900000000, -0.0000048600000000 ] - [ 0.0002456300000000, -0.0001048900000000, 0.0000142400000000 ] - [ 0.0000403700000000, 0.0000327900000000, 0.0000421600000000 ] - [ -0.0012775300000000, -0.0008362900000000, 0.0006459200000000 ] - [ 0.0000274300000000, -0.0001242700000000, 0.0000374900000000 ] - [ 0.0000901200000000, 0.0000298500000000, -0.0000190900000000 ] - [ 0.0000648400000000, 0.0002739300000000, 0.0002418000000000 ] - [ 0.0000056700000000, 0.0000174500000000, 0.0000072500000000 ] - [ 0.0001543900000000, 0.0001510400000000, 0.0001253900000000 ] - [ 0.0000097700000000, 0.0049344100000000, 0.0000222600000000 ] - [ 0.0003136000000000, 0.0116185000000000, 0.0000994500000000 ] - [ 0.0000110600000000, -0.0003305700000000, 0.0000245900000000 ] - [ 0.0000120400000000, -0.0000082700000000, 0.0000249100000000 ] - [ -0.0024877100000000, 0.0045682500000000, 0.0023003900000000 ] - [ -0.0000393900000000, -0.0000858100000000, 0.0000826700000000 ] - [ -0.0001686600000000, 0.0001353800000000, -0.0000378900000000 ] - [ -0.0000250000000000, 0.0000311300000000, -0.0000130100000000 ] - [ 0.0000252800000000, -0.0031260900000000, 0.0000322900000000 ] - [ 0.0000355300000000, -0.0008250100000000, 0.0000144800000000 ] - [ 0.0000323000000000, -0.0070239700000000, -0.0000049500000000 ] - [ 0.0000346200000000, 0.0005136400000000, 0.0000115500000000 ] - [ -0.0000121000000000, -0.0000058000000000, 0.0000252000000000 ] - [ -0.0000115800000000, -0.0000337100000000, 0.0000247800000000 ] - [ -0.0000123200000000, -0.0000056600000000, 0.0000250600000000 ] - [ -0.0000113900000000, -0.0000339000000000, 0.0000245200000000 ] - [ -0.0002988000000000, -0.0000475100000000, 0.0001404800000000 ] - [ 0.0000341900000000, -0.0002033400000000, -0.0003097900000000 ] - [ -0.0122599500000000, 0.0191976700000000, -0.0161444700000000 ] - [ -0.0000600900000000, 0.0013474900000000, -0.0012619100000000 ] - [ 0.0002885100000000, -0.0000235800000000, -0.0001557300000000 ] - [ -0.0000456800000000, -0.0001830800000000, 0.0002952800000000 ] - [ 0.0124508300000000, 0.0194081900000000, 0.0167628200000000 ] - [ 0.0000448300000000, 0.0013643500000000, 0.0012505800000000 ] - [ -0.0000338500000000, 0.0000247400000000, 0.0000129800000000 ] - [ -0.0000423300000000, 0.0014294700000000, 0.0000126600000000 ] - [ -0.0000339900000000, 0.0000396600000000, 0.0000130000000000 ] - [ -0.0000340400000000, 0.0002704400000000, 0.0000139800000000 ] - [ -0.0172894700000000, 0.0366413500000000, 0.0048312100000000 ] - [ -0.0002918500000000, -0.0001714100000000, 0.0007419900000000 ] - [ 0.0000264200000000, 0.0000820300000000, 0.0001146300000000 ] - [ -0.0001918500000000, -0.0000625800000000, 0.0000681400000000 ] - [ -0.0003882900000000, 0.0000853100000000, -0.0000663200000000 ] - [ -0.0000101600000000, -0.0000447900000000, 0.0000822000000000 ] - [ 0.0031752000000000, 0.0012650300000000, 0.0013501900000000 ] - [ -0.0062297700000000, -0.0020902100000000, 0.0019537300000000 ] - [ -0.0001028000000000, -0.0001006400000000, 0.0002319200000000 ] - [ -0.0004854400000000, 0.0002920200000000, 0.0008089300000000 ] - [ -0.0009610200000000, 0.0035755500000000, 0.0053428700000000 ] - [ 0.0002941400000000, -0.0000885200000000, -0.0001148600000000 ] - [ 0.0159598400000000, 0.0346497100000000, -0.0040143800000000 ] - [ 0.0002938200000000, -0.0002414100000000, -0.0007375900000000 ] - [ -0.0000259600000000, 0.0000115500000000, -0.0001107100000000 ] - [ 0.0001922500000000, -0.0001313300000000, -0.0000658800000000 ] - [ 0.0003989000000000, 0.0000655900000000, 0.0000510600000000 ] - [ 0.0000209600000000, -0.0000643400000000, -0.0000964900000000 ] - [ -0.0031706200000000, 0.0012548100000000, -0.0013759200000000 ] - [ 0.0062334300000000, -0.0021066600000000, -0.0020063300000000 ] - [ 0.0000112900000000, 0.0000025900000000, 0.0000246200000000 ] - [ 0.0000118300000000, -0.0002987300000000, 0.0000258200000000 ] - [ 0.0000118200000000, 0.0000027400000000, 0.0000250400000000 ] - [ 0.0000119000000000, -0.0002988900000000, 0.0000236100000000 ] - [ 0.0001025700000000, -0.0001974000000000, -0.0002524200000000 ] - [ 0.0004867400000000, 0.0001908600000000, -0.0008278700000000 ] - [ 0.0009650200000000, 0.0034284800000000, -0.0052785900000000 ] - [ -0.0002878300000000, -0.0001899200000000, 0.0000989600000000 ] - [ 0.0000325600000000, -0.0000690600000000, 0.0000142800000000 ] - [ 0.0000340100000000, -0.0000296500000000, 0.0000128700000000 ] - [ 0.0000340000000000, -0.0001420800000000, 0.0000135000000000 ] - [ 0.0000339600000000, 0.0000536200000000, 0.0000129100000000 ] - [ -0.0002098200000000, 0.0442558900000000, 0.0003366000000000 ] - [ 0.0000241400000000, -0.0005874300000000, -0.0000146100000000 ] - [ 0.0000316500000000, 0.0019817500000000, -0.0000237600000000 ] - [ 0.0000259500000000, -0.0002459000000000, -0.0000171000000000 ] - [ -0.0000076300000000, -0.0052274900000000, 0.0000139300000000 ] - [ 0.0000067900000000, 0.0021444300000000, -0.0000100500000000 ] - [ -0.0000247700000000, -0.0001174700000000, -0.0000129000000000 ] - [ -0.0000243300000000, 0.0004890700000000, -0.0000136200000000 ] - [ 0.0000266000000000, -0.0000867400000000, -0.0000127000000000 ] - [ 0.0000272400000000, -0.0000470500000000, -0.0000162800000000 ] - [ 0.0000258500000000, -0.0000441300000000, -0.0000159300000000 ] - [ 0.0000257100000000, 0.0000088300000000, -0.0000157500000000 ] - [ -0.0000244400000000, -0.0000325800000000, -0.0000158900000000 ] - [ -0.0000248200000000, -0.0001082400000000, -0.0000178200000000 ] - [ -0.0000258100000000, -0.0000154800000000, -0.0000150900000000 ] - [ -0.0000254300000000, 0.0000125000000000, -0.0000159400000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0009175100000000, -0.0025587300000000, -0.0016331100000000 ] - [ -0.0003817700000000, -0.0001465700000000, 0.0000267800000000 ] - [ -0.0000626200000000, -0.0001352000000000, 0.0001814800000000 ] - [ 0.0000193300000000, -0.0002478000000000, 0.0000146500000000 ] - [ -0.0009175100000000, 0.0025587300000000, -0.0016331100000000 ] - [ -0.0003817700000000, 0.0001465700000000, 0.0000267800000000 ] - [ -0.0000626200000000, 0.0001352000000000, 0.0001814800000000 ] - [ 0.0000193300000000, 0.0002478000000000, 0.0000146500000000 ] - [ 0.0000252200000000, 0.0004728100000000, 0.0002100900000000 ] - [ -0.0000328100000000, 0.0001028300000000, -0.0001955700000000 ] - [ 0.0000639900000000, -0.0001645900000000, 0.0004468100000000 ] - [ -0.0001279800000000, -0.0000164700000000, 0.0002183000000000 ] - [ 0.0000252200000000, -0.0004728100000000, 0.0002100900000000 ] - [ -0.0000328100000000, -0.0001028300000000, -0.0001955700000000 ] - [ 0.0000639900000000, 0.0001645900000000, 0.0004468100000000 ] - [ -0.0001279800000000, 0.0000164700000000, 0.0002183000000000 ] - [ 0.0579397500000000, 0.0000000000000000, -0.3041844300000000 ] - [ -0.0003834000000000, 0.0000000000000000, 0.0011215200000000 ] - [ 0.0001985700000000, 0.0000000000000000, 0.0004600000000000 ] - [ 0.0000984100000000, 0.0000000000000000, -0.0001612300000000 ] - [ 0.0000855900000000, 0.0000936200000000, -0.0000610600000000 ] - [ -0.0001538000000000, 0.0000861400000000, 0.0000490400000000 ] - [ -0.0001277600000000, -0.0000527700000000, -0.0000455000000000 ] - [ -0.0000063600000000, 0.0000243800000000, -0.0000559100000000 ] - [ 0.0000855900000000, -0.0000936200000000, -0.0000610600000000 ] - [ -0.0001538000000000, -0.0000861400000000, 0.0000490400000000 ] - [ -0.0001277600000000, 0.0000527700000000, -0.0000455000000000 ] - [ -0.0000063600000000, -0.0000243800000000, -0.0000559100000000 ] - [ 0.0004413500000000, 0.0000000000000000, 0.0000253900000000 ] - [ 0.0003357000000000, 0.0000000000000000, -0.0000169800000000 ] - [ -0.0002245300000000, 0.0000000000000000, 0.0003340700000000 ] - [ 0.0015535400000000, 0.0000000000000000, 0.0011637900000000 ] - [ 0.0000208600000000, 0.0000988400000000, -0.0003561400000000 ] - [ 0.0000078200000000, 0.0002200100000000, -0.0000779800000000 ] - [ 0.0002106700000000, 0.0011155900000000, 0.0008480500000000 ] - [ 0.0000513800000000, 0.0000420300000000, 0.0000216600000000 ] - [ -0.0001028100000000, 0.0000414300000000, 0.0001143900000000 ] - [ -0.0001982000000000, 0.0002994000000000, 0.0002274900000000 ] - [ 0.0000009700000000, 0.0000056400000000, -0.0000480900000000 ] - [ 0.0001075800000000, 0.0000028100000000, 0.0000140800000000 ] - [ 0.0030490200000000, 0.0018469700000000, -0.0022880800000000 ] - [ 0.0000110800000000, 0.0001207400000000, 0.0000632400000000 ] - [ -0.0000041000000000, -0.0001261600000000, 0.0001326500000000 ] - [ 0.0000002000000000, 0.0001520600000000, -0.0000317600000000 ] - [ 0.0000208600000000, -0.0000988400000000, -0.0003561400000000 ] - [ 0.0000078200000000, -0.0002200100000000, -0.0000779800000000 ] - [ 0.0002106700000000, -0.0011155900000000, 0.0008480500000000 ] - [ 0.0000513800000000, -0.0000420300000000, 0.0000216600000000 ] - [ -0.0001028100000000, -0.0000414300000000, 0.0001143900000000 ] - [ -0.0001982000000000, -0.0002994000000000, 0.0002274900000000 ] - [ 0.0000009700000000, -0.0000056400000000, -0.0000480900000000 ] - [ 0.0001075800000000, -0.0000028100000000, 0.0000140800000000 ] - [ 0.0010330400000000, 0.0000000000000000, 0.0004233000000000 ] - [ -0.0009638500000000, 0.0000000000000000, 0.0186428300000000 ] - [ 0.0001440700000000, 0.0000000000000000, 0.0003370100000000 ] - [ -0.0001868900000000, 0.0000000000000000, -0.0002199800000000 ] - [ 0.0030490200000000, -0.0018469700000000, -0.0022880800000000 ] - [ 0.0000110800000000, -0.0001207400000000, 0.0000632400000000 ] - [ -0.0000041000000000, 0.0001261600000000, 0.0001326500000000 ] - [ 0.0000002000000000, -0.0001520600000000, -0.0000317600000000 ] - [ -0.0028896800000000, 0.0000000000000000, 0.0145035500000000 ] - [ 0.0001403700000000, 0.0000000000000000, -0.0006193800000000 ] - [ -0.0003530800000000, 0.0000000000000000, 0.0118268900000000 ] - [ -0.0000058700000000, 0.0000000000000000, -0.0001053200000000 ] - [ -0.0001922800000000, 0.0000000000000000, 0.0001014900000000 ] - [ 0.0000149400000000, 0.0000000000000000, 0.0000515300000000 ] - [ -0.0002139700000000, 0.0000000000000000, 0.0001046900000000 ] - [ 0.0000142100000000, 0.0000000000000000, 0.0000523300000000 ] - [ 0.0002957800000000, -0.0003593200000000, 0.0002593600000000 ] - [ 0.0000704800000000, -0.0001647700000000, -0.0001355700000000 ] - [ 0.0081906800000000, -0.0182940500000000, 0.0415005300000000 ] - [ -0.0006835000000000, -0.0003977600000000, 0.0004108400000000 ] - [ 0.0002957800000000, 0.0003593200000000, 0.0002593600000000 ] - [ 0.0000704800000000, 0.0001647700000000, -0.0001355700000000 ] - [ 0.0081906800000000, 0.0182940500000000, 0.0415005300000000 ] - [ -0.0006835000000000, 0.0003977600000000, 0.0004108400000000 ] - [ 0.0000886200000000, 0.0000000000000000, -0.0001914000000000 ] - [ -0.0001344800000000, 0.0000000000000000, 0.0013543300000000 ] - [ -0.0000308800000000, 0.0000000000000000, 0.0000359600000000 ] - [ 0.0002001300000000, 0.0000000000000000, 0.0001122000000000 ] - [ -0.0087250700000000, 0.0038908900000000, 0.0183241600000000 ] - [ -0.0000282000000000, -0.0004550600000000, -0.0003449900000000 ] - [ -0.0001165900000000, -0.0000383400000000, 0.0000268900000000 ] - [ 0.0001330700000000, -0.0000424900000000, -0.0000736000000000 ] - [ 0.0002060000000000, 0.0001237900000000, -0.0001379600000000 ] - [ -0.0001401500000000, 0.0000694100000000, -0.0000175800000000 ] - [ 0.0032542200000000, -0.0014562100000000, -0.0007055300000000 ] - [ -0.0049613000000000, -0.0007092100000000, 0.0036202300000000 ] - [ -0.0003053200000000, -0.0000066300000000, -0.0003540900000000 ] - [ -0.0000187000000000, -0.0001935300000000, -0.0002667500000000 ] - [ -0.0052516900000000, 0.0033299800000000, 0.0055680100000000 ] - [ -0.0005672100000000, -0.0001408200000000, 0.0003245700000000 ] - [ -0.0087250700000000, -0.0038908900000000, 0.0183241600000000 ] - [ -0.0000282000000000, 0.0004550600000000, -0.0003449900000000 ] - [ -0.0001165900000000, 0.0000383400000000, 0.0000268900000000 ] - [ 0.0001330700000000, 0.0000424900000000, -0.0000736000000000 ] - [ 0.0002060000000000, -0.0001237900000000, -0.0001379600000000 ] - [ -0.0001401500000000, -0.0000694100000000, -0.0000175800000000 ] - [ 0.0032542200000000, 0.0014562100000000, -0.0007055300000000 ] - [ -0.0049613000000000, 0.0007092100000000, 0.0036202300000000 ] - [ -0.0000326400000000, 0.0000000000000000, 0.0000588300000000 ] - [ 0.0004788900000000, 0.0000000000000000, -0.0001035500000000 ] - [ 0.0000310700000000, 0.0000000000000000, 0.0000597900000000 ] - [ 0.0002184500000000, 0.0000000000000000, -0.0000991100000000 ] - [ -0.0003053200000000, 0.0000066300000000, -0.0003540900000000 ] - [ -0.0000187000000000, 0.0001935300000000, -0.0002667500000000 ] - [ -0.0052516900000000, -0.0033299800000000, 0.0055680100000000 ] - [ -0.0005672100000000, 0.0001408200000000, 0.0003245700000000 ] - [ 0.0005226300000000, 0.0000000000000000, 0.0003798200000000 ] - [ 0.0000201900000000, 0.0000000000000000, 0.0000042700000000 ] - [ -0.0001382400000000, 0.0000000000000000, 0.0001462200000000 ] - [ 0.0000032100000000, 0.0000000000000000, -0.0000813400000000 ] - [ -0.0397108100000000, 0.0000000000000000, 0.1219143800000000 ] - [ 0.0012973200000000, 0.0000000000000000, 0.0024807500000000 ] - [ -0.0017939500000000, 0.0000000000000000, 0.0010542200000000 ] - [ 0.0003743600000000, 0.0000000000000000, -0.0000601800000000 ] - [ -0.0136065900000000, 0.0000000000000000, -0.0001488100000000 ] - [ 0.0104269700000000, 0.0000000000000000, -0.0022812900000000 ] - [ -0.0002356800000000, 0.0000000000000000, -0.0006737800000000 ] - [ -0.0000923400000000, 0.0000000000000000, 0.0006088000000000 ] - [ -0.0001277500000000, 0.0000000000000000, -0.0000119200000000 ] - [ 0.0000058800000000, 0.0000000000000000, -0.0001107200000000 ] - [ 0.0000740100000000, 0.0000000000000000, -0.0000303400000000 ] - [ 0.0000701800000000, 0.0000000000000000, 0.0000393800000000 ] - [ 0.0001741900000000, 0.0000000000000000, -0.0000909400000000 ] - [ -0.0001346900000000, 0.0000000000000000, 0.0002120500000000 ] - [ -0.0000588300000000, 0.0000000000000000, 0.0000023400000000 ] - [ -0.0001706100000000, 0.0000000000000000, 0.0000308600000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0008558000000000, 0.0023488400000000, 0.0016703000000000 ] - [ 0.0003850300000000, 0.0000199900000000, -0.0000204200000000 ] - [ 0.0000613800000000, 0.0000140500000000, -0.0001865800000000 ] - [ -0.0000192200000000, 0.0001229400000000, -0.0000164500000000 ] - [ 0.0008558000000000, -0.0023488400000000, 0.0016703000000000 ] - [ 0.0003850300000000, -0.0000199900000000, -0.0000204200000000 ] - [ 0.0000613800000000, -0.0000140500000000, -0.0001865800000000 ] - [ -0.0000192200000000, -0.0001229400000000, -0.0000164500000000 ] - [ -0.0000240900000000, -0.0006032200000000, -0.0002144200000000 ] - [ 0.0000313000000000, -0.0002286500000000, 0.0002000000000000 ] - [ -0.0000748500000000, 0.0000528200000000, -0.0004430900000000 ] - [ 0.0001334200000000, -0.0001104000000000, -0.0002173900000000 ] - [ -0.0000240900000000, 0.0006032200000000, -0.0002144200000000 ] - [ 0.0000313000000000, 0.0002286500000000, 0.0002000000000000 ] - [ -0.0000748500000000, -0.0000528200000000, -0.0004430900000000 ] - [ 0.0001334200000000, 0.0001104000000000, -0.0002173900000000 ] - [ -0.0643998500000000, 0.0000000000000000, 0.3056845100000000 ] - [ 0.0003567000000000, 0.0000000000000000, -0.0010902100000000 ] - [ -0.0002186400000000, 0.0000000000000000, -0.0004114500000000 ] - [ -0.0001237900000000, 0.0000000000000000, 0.0002098400000000 ] - [ -0.0001006300000000, -0.0001164300000000, 0.0000436800000000 ] - [ 0.0001406100000000, -0.0001096600000000, -0.0000632300000000 ] - [ 0.0001148800000000, 0.0000289000000000, 0.0000329700000000 ] - [ -0.0000046400000000, -0.0000499800000000, 0.0000427200000000 ] - [ -0.0001006300000000, 0.0001164300000000, 0.0000436800000000 ] - [ 0.0001406100000000, 0.0001096600000000, -0.0000632300000000 ] - [ 0.0001148800000000, -0.0000289000000000, 0.0000329700000000 ] - [ -0.0000046400000000, 0.0000499800000000, 0.0000427200000000 ] - [ -0.0005038800000000, 0.0000000000000000, -0.0000056300000000 ] - [ -0.0004354300000000, 0.0000000000000000, 0.0000173100000000 ] - [ 0.0001424100000000, 0.0000000000000000, -0.0003077200000000 ] - [ -0.0015926300000000, 0.0000000000000000, -0.0011525500000000 ] - [ -0.0000188600000000, -0.0000335400000000, 0.0003591300000000 ] - [ -0.0000069200000000, -0.0001504700000000, 0.0000810500000000 ] - [ -0.0002200400000000, -0.0010409300000000, -0.0008427000000000 ] - [ -0.0000523700000000, 0.0000290600000000, -0.0000206900000000 ] - [ 0.0001173600000000, -0.0000169400000000, -0.0001306700000000 ] - [ 0.0002093600000000, -0.0002707400000000, -0.0002384600000000 ] - [ 0.0000097800000000, 0.0000193700000000, 0.0000359500000000 ] - [ -0.0000954800000000, 0.0000191800000000, -0.0000253700000000 ] - [ -0.0030245200000000, -0.0017334600000000, 0.0022754500000000 ] - [ -0.0000091800000000, -0.0000203100000000, -0.0000786000000000 ] - [ 0.0000043500000000, 0.0002235000000000, -0.0001490200000000 ] - [ -0.0000008000000000, -0.0000538500000000, 0.0000143600000000 ] - [ -0.0000188600000000, 0.0000335400000000, 0.0003591300000000 ] - [ -0.0000069200000000, 0.0001504700000000, 0.0000810500000000 ] - [ -0.0002200400000000, 0.0010409300000000, -0.0008427000000000 ] - [ -0.0000523700000000, -0.0000290600000000, -0.0000206900000000 ] - [ 0.0001173600000000, 0.0000169400000000, -0.0001306700000000 ] - [ 0.0002093600000000, 0.0002707400000000, -0.0002384600000000 ] - [ 0.0000097800000000, -0.0000193700000000, 0.0000359500000000 ] - [ -0.0000954800000000, -0.0000191800000000, -0.0000253700000000 ] - [ -0.0010305900000000, 0.0000000000000000, -0.0003762400000000 ] - [ 0.0015336300000000, 0.0000000000000000, -0.0186648100000000 ] - [ -0.0001204300000000, 0.0000000000000000, -0.0002952000000000 ] - [ 0.0002139200000000, 0.0000000000000000, 0.0002736200000000 ] - [ -0.0030245200000000, 0.0017334600000000, 0.0022754500000000 ] - [ -0.0000091800000000, 0.0000203100000000, -0.0000786000000000 ] - [ 0.0000043500000000, -0.0002235000000000, -0.0001490200000000 ] - [ -0.0000008000000000, 0.0000538500000000, 0.0000143600000000 ] - [ 0.0028921500000000, 0.0000000000000000, -0.0147349100000000 ] - [ -0.0000655200000000, 0.0000000000000000, 0.0006463000000000 ] - [ 0.0004406800000000, 0.0000000000000000, -0.0115124200000000 ] - [ 0.0000767700000000, 0.0000000000000000, 0.0001286200000000 ] - [ 0.0001677300000000, 0.0000000000000000, -0.0000563100000000 ] - [ -0.0000404100000000, 0.0000000000000000, -0.0000038000000000 ] - [ 0.0001870300000000, 0.0000000000000000, -0.0000528700000000 ] - [ -0.0000404700000000, 0.0000000000000000, -0.0000030300000000 ] - [ -0.0003027500000000, 0.0003234900000000, -0.0002709000000000 ] - [ -0.0000838100000000, 0.0001439300000000, 0.0001237500000000 ] - [ -0.0073496800000000, 0.0170335800000000, -0.0394431300000000 ] - [ 0.0006751900000000, 0.0003732700000000, -0.0004326700000000 ] - [ -0.0003027500000000, -0.0003234900000000, -0.0002709000000000 ] - [ -0.0000838100000000, -0.0001439300000000, 0.0001237500000000 ] - [ -0.0073496800000000, -0.0170335800000000, -0.0394431300000000 ] - [ 0.0006751900000000, -0.0003732700000000, -0.0004326700000000 ] - [ -0.0001550000000000, 0.0000000000000000, 0.0002194600000000 ] - [ 0.0000686600000000, 0.0000000000000000, -0.0013240000000000 ] - [ -0.0000342000000000, 0.0000000000000000, -0.0000109900000000 ] - [ -0.0002664100000000, 0.0000000000000000, -0.0000848300000000 ] - [ 0.0088474300000000, -0.0038101500000000, -0.0183731100000000 ] - [ 0.0000265600000000, 0.0005308400000000, 0.0003460500000000 ] - [ 0.0001210900000000, 0.0001096200000000, -0.0000223500000000 ] - [ -0.0001347900000000, 0.0001146800000000, 0.0000781300000000 ] - [ -0.0001975400000000, -0.0001051200000000, 0.0001249100000000 ] - [ 0.0001557600000000, -0.0000478900000000, 0.0000056100000000 ] - [ -0.0032624800000000, 0.0014695100000000, 0.0006763100000000 ] - [ 0.0049545900000000, 0.0007515900000000, -0.0036651900000000 ] - [ 0.0003054700000000, 0.0001142600000000, 0.0003391100000000 ] - [ 0.0000210700000000, 0.0003029900000000, 0.0002550100000000 ] - [ 0.0052603700000000, -0.0031596800000000, -0.0054480400000000 ] - [ 0.0005678700000000, 0.0002426800000000, -0.0003443100000000 ] - [ 0.0088474300000000, 0.0038101500000000, -0.0183731100000000 ] - [ 0.0000265600000000, -0.0005308400000000, 0.0003460500000000 ] - [ 0.0001210900000000, -0.0001096200000000, -0.0000223500000000 ] - [ -0.0001347900000000, -0.0001146800000000, 0.0000781300000000 ] - [ -0.0001975400000000, 0.0001051200000000, 0.0001249100000000 ] - [ 0.0001557600000000, 0.0000478900000000, 0.0000056100000000 ] - [ -0.0032624800000000, -0.0014695100000000, 0.0006763100000000 ] - [ 0.0049545900000000, -0.0007515900000000, -0.0036651900000000 ] - [ 0.0000579900000000, 0.0000000000000000, -0.0000114700000000 ] - [ -0.0004509600000000, 0.0000000000000000, 0.0001479400000000 ] - [ -0.0000044600000000, 0.0000000000000000, -0.0000103600000000 ] - [ -0.0001908400000000, 0.0000000000000000, 0.0001524300000000 ] - [ 0.0003054700000000, -0.0001142600000000, 0.0003391100000000 ] - [ 0.0000210700000000, -0.0003029900000000, 0.0002550100000000 ] - [ 0.0052603700000000, 0.0031596800000000, -0.0054480400000000 ] - [ 0.0005678700000000, -0.0002426800000000, -0.0003443100000000 ] - [ -0.0004551400000000, 0.0000000000000000, -0.0003532500000000 ] - [ 0.0000463400000000, 0.0000000000000000, 0.0000217200000000 ] - [ 0.0002034100000000, 0.0000000000000000, -0.0001203100000000 ] - [ 0.0000618400000000, 0.0000000000000000, 0.0001070800000000 ] - [ 0.0438128700000000, 0.0000000000000000, -0.1275882200000000 ] - [ -0.0012707700000000, 0.0000000000000000, -0.0025081900000000 ] - [ 0.0018153300000000, 0.0000000000000000, -0.0010456000000000 ] - [ -0.0003392600000000, 0.0000000000000000, 0.0000318700000000 ] - [ 0.0137532400000000, 0.0000000000000000, 0.0000731300000000 ] - [ -0.0105286200000000, 0.0000000000000000, 0.0022122800000000 ] - [ 0.0001846700000000, 0.0000000000000000, 0.0006482200000000 ] - [ 0.0000524200000000, 0.0000000000000000, -0.0006554500000000 ] - [ 0.0001739500000000, 0.0000000000000000, -0.0000240900000000 ] - [ 0.0000395900000000, 0.0000000000000000, 0.0000757400000000 ] - [ -0.0000309000000000, 0.0000000000000000, -0.0000032700000000 ] - [ -0.0000268500000000, 0.0000000000000000, -0.0000732500000000 ] - [ -0.0002206300000000, 0.0000000000000000, 0.0000568000000000 ] - [ 0.0000890000000000, 0.0000000000000000, -0.0002435200000000 ] - [ 0.0000159100000000, 0.0000000000000000, -0.0000340400000000 ] - [ 0.0001273700000000, 0.0000000000000000, -0.0000642900000000 ]- atom: 21 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0017106500000000, -0.0067767800000000, 0.0049936600000000 ] - [ 0.0003733200000000, -0.0006278000000000, 0.0004841700000000 ] - [ -0.0000563500000000, 0.0000372400000000, -0.0000022000000000 ] - [ 0.0000588200000000, -0.0000641200000000, -0.0000117300000000 ] - [ -0.0000628900000000, 0.0000964800000000, -0.0002569200000000 ] - [ -0.0000881200000000, 0.0005242300000000, 0.0001274100000000 ] - [ -0.0000295500000000, -0.0000097100000000, -0.0000017900000000 ] - [ 0.0000169800000000, 0.0000745500000000, -0.0000522600000000 ] - [ -0.0001977700000000, 0.0000392100000000, -0.0002709700000000 ] - [ -0.0001215100000000, 0.0002834600000000, -0.0002925400000000 ] - [ 0.0000308800000000, -0.0002011600000000, -0.0000143100000000 ] - [ -0.0000104400000000, -0.0000151100000000, 0.0001078400000000 ] - [ 0.0017609800000000, -0.0020833700000000, -0.0079031900000000 ] - [ 0.0002756800000000, -0.0002756800000000, -0.0006713700000000 ] - [ -0.0000094800000000, 0.0002718700000000, 0.0000764300000000 ] - [ 0.0000836500000000, 0.0000170300000000, 0.0000101600000000 ] - [ -0.0001663600000000, -0.0001155100000000, 0.0001173200000000 ] - [ 0.0000287600000000, -0.0000218600000000, -0.0001236200000000 ] - [ -0.0000564200000000, 0.0000363200000000, -0.0000949000000000 ] - [ -0.0000572400000000, 0.0000326300000000, 0.0000237900000000 ] - [ -0.2444268700000000, 0.0222511700000000, 0.0055353500000000 ] - [ -0.0024125600000000, -0.0006627900000000, 0.0000527000000000 ] - [ -0.0003082900000000, 0.0001213600000000, -0.0000184000000000 ] - [ 0.0000214500000000, -0.0001642100000000, -0.0000146900000000 ] - [ 0.0074851600000000, 0.0039308800000000, 0.0002890600000000 ] - [ 0.0009849400000000, -0.0003313800000000, -0.0000363600000000 ] - [ -0.0000841800000000, -0.0001931000000000, 0.0000079700000000 ] - [ -0.0000195500000000, 0.0001230700000000, -0.0000053200000000 ] - [ 0.0000542100000000, -0.0001222600000000, -0.0001207400000000 ] - [ 0.0001026200000000, -0.0000523200000000, -0.0001758700000000 ] - [ -0.0000311900000000, 0.0000033900000000, 0.0000378600000000 ] - [ -0.0000637400000000, -0.0001545700000000, 0.0001116600000000 ] - [ 0.0030516500000000, -0.0022777700000000, 0.0008841700000000 ] - [ 0.0007005100000000, 0.0001308100000000, 0.0006581400000000 ] - [ 0.0000911100000000, -0.0000241300000000, -0.0000881900000000 ] - [ 0.0000169700000000, 0.0000320900000000, 0.0000866100000000 ] - [ 0.0072248400000000, 0.0056371500000000, -0.0001462100000000 ] - [ 0.0010412600000000, 0.0012575400000000, 0.0001518100000000 ] - [ 0.0001177900000000, 0.0000976700000000, -0.0000203800000000 ] - [ -0.0000899000000000, 0.0000016900000000, -0.0000059500000000 ] - [ 0.0027036000000000, -0.0025490200000000, -0.0006658600000000 ] - [ 0.0005033900000000, 0.0001121400000000, -0.0005386000000000 ] - [ 0.0000755200000000, -0.0000073400000000, 0.0000737900000000 ] - [ 0.0000288900000000, 0.0000495600000000, -0.0000782600000000 ] - [ 0.0366208500000000, 0.0036871500000000, 0.0129436700000000 ] - [ 0.0001218100000000, -0.0003691900000000, -0.0001350200000000 ] - [ 0.0001039100000000, -0.0000309000000000, -0.0001015000000000 ] - [ 0.0000764800000000, -0.0000073000000000, 0.0000869400000000 ] - [ 0.0691953700000000, 0.0002858300000000, -0.0001958800000000 ] - [ 0.0127707700000000, -0.0010331400000000, -0.0001380800000000 ] - [ 0.0002163300000000, -0.0000651500000000, -0.0000133200000000 ] - [ -0.0000716400000000, -0.0000229800000000, -0.0000087700000000 ] - [ 0.0001019700000000, -0.0000831700000000, 0.0001337200000000 ] - [ 0.0000938200000000, -0.0000585800000000, 0.0002289700000000 ] - [ 0.0000272300000000, -0.0000007600000000, 0.0000296700000000 ] - [ -0.0000250300000000, -0.0001505400000000, -0.0000761100000000 ] - [ 0.0378950500000000, 0.0043546100000000, -0.0136068200000000 ] - [ 0.0004160100000000, -0.0004767200000000, 0.0002079400000000 ] - [ 0.0000971000000000, -0.0000455300000000, 0.0000697400000000 ] - [ 0.0000809000000000, -0.0000179000000000, -0.0000990400000000 ] - [ -0.0002507000000000, -0.0002030200000000, -0.0001546300000000 ] - [ 0.0000580600000000, -0.0000081000000000, 0.0001355900000000 ] - [ -0.0000435500000000, 0.0000170800000000, 0.0001353300000000 ] - [ 0.0000240200000000, 0.0000230400000000, 0.0000404200000000 ] - [ 0.0227068900000000, -0.0123440900000000, 0.0077386400000000 ] - [ 0.0002522400000000, -0.0000612400000000, -0.0006580400000000 ] - [ 0.0005123000000000, -0.0002953000000000, 0.0003246900000000 ] - [ -0.0000400700000000, 0.0000399100000000, 0.0001027800000000 ] - [ -0.0000477200000000, -0.0000042700000000, 0.0000633900000000 ] - [ -0.0000282000000000, -0.0000711000000000, 0.0000251800000000 ] - [ -0.0000479000000000, 0.0000101900000000, -0.0000554300000000 ] - [ -0.0000287700000000, -0.0000577800000000, -0.0000214400000000 ] - [ -0.0003279800000000, 0.0000005000000000, 0.0000208400000000 ] - [ 0.0001291500000000, 0.0001028400000000, 0.0000539900000000 ] - [ -0.0003286200000000, -0.0000226400000000, -0.0001466100000000 ] - [ 0.0001294200000000, 0.0001050000000000, -0.0000670400000000 ] - [ 0.0045986700000000, 0.0030006900000000, 0.0032938800000000 ] - [ 0.0070537700000000, -0.0059162600000000, -0.0048434400000000 ] - [ -0.0000005400000000, -0.0004986000000000, 0.0002139800000000 ] - [ 0.0001186200000000, -0.0000421400000000, -0.0001623500000000 ] - [ -0.0018217700000000, 0.0018623700000000, -0.0000881500000000 ] - [ -0.0002828400000000, -0.0000455700000000, 0.0001361900000000 ] - [ -0.0001033200000000, -0.0003841700000000, -0.0000453900000000 ] - [ -0.0000058600000000, 0.0000759900000000, -0.0000286700000000 ] - [ 0.0001063700000000, -0.0000260000000000, -0.0000135500000000 ] - [ 0.0003461100000000, -0.0003803500000000, -0.0002135700000000 ] - [ 0.0001071400000000, 0.0000620800000000, -0.0001002200000000 ] - [ 0.0003454900000000, -0.0004631900000000, 0.0002087200000000 ] - [ -0.0017719700000000, 0.0016489000000000, 0.0000951600000000 ] - [ -0.0003210500000000, -0.0001381900000000, -0.0001626500000000 ] - [ -0.0000964700000000, -0.0003966100000000, 0.0000066100000000 ] - [ 0.0000071300000000, 0.0000835700000000, 0.0000273100000000 ] - [ 0.0002236700000000, 0.0001083700000000, -0.0001760800000000 ] - [ -0.0001338600000000, -0.0000172000000000, 0.0001516700000000 ] - [ 0.0000156000000000, -0.0002088900000000, -0.0000933500000000 ] - [ 0.0000186700000000, -0.0000547300000000, 0.0000180900000000 ] - [ -0.0000062400000000, -0.0000046100000000, 0.0000610500000000 ] - [ -0.0000879800000000, -0.0001161100000000, -0.0000182000000000 ] - [ -0.0000058000000000, -0.0000092700000000, -0.0000549600000000 ] - [ -0.0000871700000000, -0.0001569300000000, -0.0000050000000000 ] - [ 0.0044375300000000, 0.0031728300000000, -0.0032777500000000 ] - [ 0.0066205600000000, -0.0062015200000000, 0.0049410400000000 ] - [ 0.0000104400000000, -0.0003920000000000, -0.0001770200000000 ] - [ 0.0001447800000000, -0.0000160100000000, 0.0001728600000000 ] - [ 0.0001981100000000, 0.0000475900000000, 0.0001522100000000 ] - [ -0.0001466400000000, -0.0000752700000000, -0.0001379000000000 ] - [ 0.0000360400000000, -0.0002152300000000, 0.0000692800000000 ] - [ 0.0000421600000000, -0.0000526700000000, -0.0000267900000000 ] - [ 0.0211965200000000, -0.0124004700000000, -0.0095641100000000 ] - [ 0.0003324400000000, 0.0000570900000000, 0.0007463600000000 ] - [ 0.0006522900000000, -0.0004043800000000, -0.0003111800000000 ] - [ -0.0000099000000000, 0.0000154000000000, -0.0000961800000000 ] - [ -0.0004753400000000, 0.0006223100000000, -0.0000979500000000 ] - [ -0.0000360800000000, 0.0000189000000000, -0.0000033000000000 ] - [ 0.0000101300000000, -0.0001171400000000, -0.0000322800000000 ] - [ 0.0000028200000000, 0.0000471500000000, -0.0000117700000000 ] - [ 0.0003557000000000, 0.0007237400000000, -0.0000591200000000 ] - [ 0.0000304500000000, -0.0000577200000000, -0.0000358700000000 ] - [ -0.0000226500000000, 0.0000065000000000, -0.0000117500000000 ] - [ 0.0000454700000000, -0.0001763000000000, -0.0000237500000000 ] - [ -0.0038420700000000, 0.0036165800000000, 0.0013721900000000 ] - [ 0.0005098300000000, -0.0000553700000000, -0.0004972800000000 ] - [ -0.0047524300000000, 0.0040493400000000, -0.0013538100000000 ] - [ 0.0005587900000000, -0.0001072200000000, 0.0005646700000000 ] - [ 0.0011426100000000, -0.0004072100000000, -0.0007443000000000 ] - [ 0.0013442800000000, -0.0003145500000000, 0.0006486300000000 ] - [ 0.0014317700000000, -0.0007172500000000, 0.0012596500000000 ] - [ 0.0013253100000000, -0.0002785800000000, -0.0007548300000000 ]- atom: 21 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0017621500000000, 0.0066001300000000, -0.0049671800000000 ] - [ -0.0003636500000000, 0.0005158100000000, -0.0004890100000000 ] - [ 0.0000554900000000, -0.0001647800000000, 0.0000056400000000 ] - [ -0.0000587700000000, -0.0000675400000000, 0.0000172500000000 ] - [ 0.0000535700000000, 0.0000445600000000, 0.0002585700000000 ] - [ 0.0000935900000000, -0.0003826000000000, -0.0001243800000000 ] - [ 0.0000285200000000, 0.0001484900000000, 0.0000013600000000 ] - [ -0.0000169500000000, 0.0000602300000000, 0.0000557400000000 ] - [ 0.0001833800000000, -0.0001666500000000, 0.0002704400000000 ] - [ 0.0001239500000000, -0.0004090100000000, 0.0002899000000000 ] - [ -0.0000323700000000, 0.0000729300000000, 0.0000162700000000 ] - [ 0.0000111700000000, -0.0001148700000000, -0.0001038200000000 ] - [ -0.0017941500000000, 0.0021858500000000, 0.0078566300000000 ] - [ -0.0002624100000000, 0.0004181500000000, 0.0006860300000000 ] - [ 0.0000079300000000, -0.0001354700000000, -0.0000773900000000 ] - [ -0.0000834800000000, 0.0001175400000000, -0.0000094600000000 ] - [ 0.0001485900000000, 0.0001182300000000, -0.0000693500000000 ] - [ -0.0000522700000000, 0.0000215400000000, 0.0001707500000000 ] - [ 0.0000342500000000, -0.0000355700000000, 0.0001475300000000 ] - [ 0.0000329400000000, -0.0000342100000000, 0.0000252400000000 ] - [ 0.2434342000000000, -0.0199358700000000, -0.0055267700000000 ] - [ 0.0024050500000000, 0.0006633200000000, -0.0000693700000000 ] - [ 0.0002959200000000, -0.0001423900000000, 0.0000038000000000 ] - [ -0.0000334200000000, 0.0001449400000000, -0.0000005100000000 ] - [ -0.0075518200000000, -0.0043366100000000, -0.0003048600000000 ] - [ -0.0009905000000000, 0.0003113600000000, 0.0000201400000000 ] - [ 0.0000725100000000, 0.0002113100000000, -0.0000226300000000 ] - [ 0.0000075700000000, -0.0001034700000000, -0.0000095600000000 ] - [ -0.0001241700000000, 0.0001238000000000, 0.0001480000000000 ] - [ -0.0001729700000000, 0.0000545700000000, 0.0002018800000000 ] - [ -0.0000370500000000, -0.0000045900000000, -0.0000131800000000 ] - [ -0.0000072200000000, 0.0001528400000000, -0.0000876400000000 ] - [ -0.0030174100000000, 0.0023610400000000, -0.0008895500000000 ] - [ -0.0006999400000000, -0.0000659800000000, -0.0006721000000000 ] - [ -0.0000912500000000, 0.0000936100000000, 0.0000906900000000 ] - [ -0.0000159200000000, 0.0000361000000000, -0.0000824800000000 ] - [ -0.0073035800000000, -0.0056819600000000, 0.0001329800000000 ] - [ -0.0010084800000000, -0.0012415500000000, -0.0001695700000000 ] - [ -0.0001064300000000, -0.0000775300000000, 0.0000054500000000 ] - [ 0.0001020400000000, 0.0000165200000000, -0.0000089600000000 ] - [ -0.0026755800000000, 0.0026629200000000, 0.0006594700000000 ] - [ -0.0005065100000000, -0.0000164100000000, 0.0005367800000000 ] - [ -0.0000753400000000, 0.0001068900000000, -0.0000912700000000 ] - [ -0.0000280500000000, 0.0000491600000000, 0.0000590700000000 ] - [ -0.0381707400000000, -0.0045767700000000, -0.0140128600000000 ] - [ -0.0000342900000000, 0.0003322800000000, 0.0001829900000000 ] - [ -0.0001037100000000, -0.0000383200000000, 0.0001035500000000 ] - [ -0.0000764400000000, -0.0000622100000000, -0.0000843900000000 ] - [ -0.0648206800000000, -0.0005483400000000, 0.0001485300000000 ] - [ -0.0130556400000000, 0.0010336600000000, 0.0001315300000000 ] - [ -0.0002065000000000, 0.0000434800000000, -0.0000011100000000 ] - [ 0.0000841300000000, 0.0000040500000000, -0.0000063600000000 ] - [ -0.0000799500000000, 0.0000844700000000, -0.0000867800000000 ] - [ -0.0000728800000000, 0.0000600900000000, -0.0001787300000000 ] - [ -0.0000040000000000, -0.0000000300000000, 0.0000207300000000 ] - [ 0.0000447600000000, 0.0001482700000000, 0.0001267000000000 ] - [ -0.0395188100000000, -0.0053110500000000, 0.0146961100000000 ] - [ -0.0003332400000000, 0.0004070500000000, -0.0002724700000000 ] - [ -0.0000972600000000, -0.0000540200000000, -0.0000870800000000 ] - [ -0.0000804300000000, -0.0000822300000000, 0.0000813000000000 ] - [ 0.0003242900000000, 0.0002059700000000, 0.0001811300000000 ] - [ 0.0000098800000000, 0.0000079800000000, -0.0001079300000000 ] - [ 0.0001129600000000, -0.0000170000000000, -0.0001123500000000 ] - [ 0.0000435100000000, -0.0000242800000000, -0.0000136400000000 ] - [ -0.0226163500000000, 0.0123631100000000, -0.0077839800000000 ] - [ -0.0002514800000000, 0.0000435700000000, 0.0007002500000000 ] - [ -0.0005379300000000, 0.0002917600000000, -0.0002743600000000 ] - [ 0.0000168200000000, -0.0000395300000000, -0.0000517300000000 ] - [ 0.0000347200000000, -0.0000162500000000, -0.0000791100000000 ] - [ 0.0000194200000000, 0.0000468900000000, -0.0000393600000000 ] - [ 0.0000345200000000, -0.0000306000000000, 0.0000416800000000 ] - [ 0.0000190300000000, 0.0000346700000000, 0.0000058400000000 ] - [ 0.0003202000000000, 0.0000166900000000, -0.0000333300000000 ] - [ -0.0001398900000000, -0.0000840900000000, -0.0000672200000000 ] - [ 0.0003192700000000, 0.0000386300000000, 0.0001301500000000 ] - [ -0.0001396800000000, -0.0000854800000000, 0.0000501600000000 ] - [ -0.0046319700000000, -0.0030045300000000, -0.0031780700000000 ] - [ -0.0072291900000000, 0.0059723600000000, 0.0049494000000000 ] - [ -0.0000652300000000, 0.0005007900000000, -0.0001884100000000 ] - [ -0.0001876000000000, 0.0000416100000000, 0.0001881900000000 ] - [ 0.0018101900000000, -0.0017998800000000, 0.0000863100000000 ] - [ 0.0002716100000000, 0.0001154500000000, -0.0001366200000000 ] - [ 0.0001017600000000, 0.0004581600000000, 0.0000515700000000 ] - [ 0.0000052400000000, -0.0000086000000000, 0.0000316100000000 ] - [ -0.0000962800000000, 0.0000438100000000, -0.0000009500000000 ] - [ -0.0003359100000000, 0.0003913000000000, 0.0001941800000000 ] - [ -0.0000952300000000, -0.0000440300000000, 0.0000861500000000 ] - [ -0.0003364900000000, 0.0004751300000000, -0.0002213600000000 ] - [ 0.0017599200000000, -0.0015561800000000, -0.0001130200000000 ] - [ 0.0003103200000000, 0.0002391600000000, 0.0001481700000000 ] - [ 0.0000963700000000, 0.0005016700000000, -0.0000284300000000 ] - [ -0.0000076300000000, 0.0000139400000000, -0.0000455000000000 ] - [ -0.0002242500000000, -0.0001807300000000, 0.0001846900000000 ] - [ 0.0001237700000000, -0.0000478200000000, -0.0001468400000000 ] - [ -0.0000173400000000, 0.0001416500000000, 0.0000958800000000 ] - [ -0.0000182900000000, -0.0000149600000000, -0.0000162100000000 ] - [ 0.0000169300000000, -0.0000170500000000, -0.0000765600000000 ] - [ 0.0000995500000000, 0.0000950400000000, -0.0000024400000000 ] - [ 0.0000174300000000, -0.0000116800000000, 0.0000409900000000 ] - [ 0.0001002100000000, 0.0001363500000000, -0.0000049200000000 ] - [ -0.0043738800000000, -0.0031727400000000, 0.0032393200000000 ] - [ -0.0067027300000000, 0.0062611200000000, -0.0049752900000000 ] - [ 0.0000156900000000, 0.0003948900000000, 0.0002262500000000 ] - [ -0.0001223300000000, 0.0000154400000000, -0.0001233000000000 ] - [ -0.0001968400000000, -0.0001491000000000, -0.0001767800000000 ] - [ 0.0001361100000000, -0.0000197300000000, 0.0001189400000000 ] - [ -0.0000369000000000, 0.0001170700000000, -0.0000868700000000 ] - [ -0.0000419800000000, -0.0000473600000000, 0.0000101000000000 ] - [ -0.0210006700000000, 0.0124065600000000, 0.0096667000000000 ] - [ -0.0002393500000000, -0.0000800700000000, -0.0007151000000000 ] - [ -0.0005859100000000, 0.0003987000000000, 0.0003357900000000 ] - [ 0.0000785000000000, -0.0000148300000000, 0.0001205700000000 ] - [ 0.0005270300000000, -0.0006249700000000, 0.0000650600000000 ] - [ 0.0000880200000000, -0.0000202700000000, -0.0000289800000000 ] - [ 0.0000407400000000, 0.0001182400000000, 0.0000004100000000 ] - [ 0.0000477200000000, -0.0000485800000000, -0.0000206800000000 ] - [ -0.0004079600000000, -0.0007286200000000, 0.0000286100000000 ] - [ -0.0000829900000000, 0.0000576700000000, 0.0000049400000000 ] - [ -0.0000277500000000, -0.0000070700000000, -0.0000191800000000 ] - [ -0.0000950700000000, 0.0001763200000000, -0.0000070700000000 ] - [ 0.0038809100000000, -0.0036477800000000, -0.0014145600000000 ] - [ -0.0004664400000000, 0.0000556800000000, 0.0004661300000000 ] - [ 0.0047801000000000, -0.0040805600000000, 0.0013300700000000 ] - [ -0.0005162400000000, 0.0001092500000000, -0.0005956900000000 ] - [ -0.0011810600000000, 0.0004178000000000, 0.0007008600000000 ] - [ -0.0014012400000000, 0.0003076900000000, -0.0006737800000000 ] - [ -0.0014667300000000, 0.0007201500000000, -0.0012718400000000 ] - [ -0.0013790900000000, 0.0002769500000000, 0.0007191400000000 ]- atom: 21 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0082145900000000, 0.0150712300000000, -0.0092679500000000 ] - [ -0.0006631200000000, -0.0000639300000000, 0.0000266900000000 ] - [ 0.0000693900000000, -0.0000606900000000, -0.0000031200000000 ] - [ -0.0000811700000000, 0.0000195800000000, 0.0000062200000000 ] - [ 0.0000406900000000, 0.0003944100000000, -0.0003525700000000 ] - [ 0.0003135200000000, -0.0002665600000000, -0.0002098300000000 ] - [ 0.0000637400000000, 0.0000630500000000, 0.0000245700000000 ] - [ -0.0000576900000000, 0.0000096600000000, 0.0000443200000000 ] - [ 0.0005113400000000, 0.0009896600000000, -0.0007365600000000 ] - [ 0.0000926600000000, -0.0002537500000000, 0.0001714500000000 ] - [ 0.0001123500000000, 0.0000036600000000, 0.0000262600000000 ] - [ -0.0001168000000000, -0.0001590200000000, -0.0000919000000000 ] - [ -0.0033699700000000, 0.0027079700000000, 0.0078299100000000 ] - [ -0.0002871700000000, 0.0006575200000000, -0.0001599300000000 ] - [ 0.0001271700000000, 0.0000492000000000, -0.0000146600000000 ] - [ -0.0001399000000000, 0.0001924600000000, -0.0000116900000000 ] - [ -0.0002818800000000, -0.0005827700000000, 0.0001315000000000 ] - [ 0.0000144300000000, -0.0000013000000000, 0.0001227900000000 ] - [ 0.0000054000000000, -0.0000329400000000, -0.0000150500000000 ] - [ 0.0000155900000000, 0.0000216100000000, 0.0000620400000000 ] - [ 0.0217460700000000, -0.2247043400000000, 0.0011234500000000 ] - [ -0.0006668700000000, -0.0011904100000000, -0.0000265200000000 ] - [ 0.0001262100000000, -0.0001517500000000, -0.0000159500000000 ] - [ -0.0001614300000000, -0.0000314900000000, -0.0000169400000000 ] - [ -0.0042283600000000, 0.0791756900000000, 0.0002994400000000 ] - [ 0.0003134300000000, 0.0009688200000000, -0.0000272100000000 ] - [ 0.0001972000000000, 0.0001985400000000, -0.0000067800000000 ] - [ -0.0001198100000000, 0.0000647900000000, -0.0000208100000000 ] - [ 0.0000544700000000, -0.0000663300000000, -0.0000154300000000 ] - [ 0.0000819500000000, 0.0001571000000000, 0.0002699700000000 ] - [ -0.0000411100000000, 0.0000170500000000, 0.0000286400000000 ] - [ 0.0002518600000000, 0.0001078700000000, 0.0000568900000000 ] - [ -0.0070382400000000, 0.0059896500000000, -0.0045709300000000 ] - [ 0.0008720400000000, 0.0008122200000000, -0.0006706300000000 ] - [ -0.0001351000000000, 0.0000675200000000, 0.0000904000000000 ] - [ -0.0000068000000000, 0.0000508500000000, 0.0000224000000000 ] - [ 0.0056187600000000, 0.0030813500000000, -0.0001905500000000 ] - [ 0.0012644800000000, 0.0047563200000000, -0.0000004500000000 ] - [ 0.0000942800000000, 0.0001132000000000, -0.0000238800000000 ] - [ -0.0000010300000000, 0.0000539700000000, -0.0000081500000000 ] - [ -0.0073717000000000, 0.0060258000000000, 0.0043405700000000 ] - [ 0.0006814200000000, 0.0008006600000000, 0.0005532400000000 ] - [ -0.0001290600000000, 0.0000750000000000, -0.0000992400000000 ] - [ -0.0000074900000000, 0.0000589600000000, -0.0000511700000000 ] - [ 0.0048768400000000, 0.0196185700000000, 0.0133520600000000 ] - [ -0.0024676300000000, 0.0001764600000000, -0.0013515900000000 ] - [ -0.0000319400000000, -0.0000652400000000, 0.0001253900000000 ] - [ -0.0000437300000000, -0.0000613400000000, 0.0000351600000000 ] - [ -0.0005365700000000, 0.0156505500000000, -0.0007085300000000 ] - [ 0.0010410500000000, 0.0000106800000000, 0.0001866800000000 ] - [ 0.0000610100000000, -0.0001120800000000, -0.0000108000000000 ] - [ 0.0000203100000000, -0.0000969600000000, -0.0000037300000000 ] - [ 0.0000272900000000, 0.0000414000000000, -0.0000053900000000 ] - [ 0.0001546000000000, 0.0002925200000000, -0.0002614000000000 ] - [ -0.0000012000000000, 0.0000276100000000, 0.0000319900000000 ] - [ 0.0003315500000000, 0.0001588700000000, 0.0000317400000000 ] - [ 0.0047138200000000, 0.0208307600000000, -0.0129145000000000 ] - [ -0.0022226100000000, 0.0000304600000000, 0.0016116800000000 ] - [ -0.0000227300000000, -0.0000610200000000, -0.0001457100000000 ] - [ -0.0000532500000000, -0.0000630900000000, -0.0000508500000000 ] - [ -0.0001590200000000, -0.0004939200000000, -0.0000833700000000 ] - [ 0.0000192800000000, 0.0000172300000000, -0.0000656900000000 ] - [ 0.0000637500000000, -0.0000164400000000, 0.0000503100000000 ] - [ 0.0000499100000000, 0.0000248900000000, -0.0000373800000000 ] - [ -0.0094786700000000, 0.0194151300000000, -0.0178846300000000 ] - [ -0.0003261200000000, 0.0013594700000000, -0.0003597100000000 ] - [ -0.0003600100000000, -0.0000365000000000, -0.0003169200000000 ] - [ 0.0001628500000000, -0.0001938000000000, -0.0001294700000000 ] - [ 0.0000136600000000, -0.0001315200000000, -0.0000289900000000 ] - [ -0.0000519000000000, 0.0000541900000000, -0.0000513700000000 ] - [ -0.0000003500000000, -0.0001316100000000, 0.0000210500000000 ] - [ -0.0000647000000000, 0.0000545600000000, 0.0000327400000000 ] - [ 0.0000244000000000, -0.0002513800000000, -0.0002980100000000 ] - [ -0.0001016800000000, -0.0000976000000000, -0.0000574000000000 ] - [ 0.0000015400000000, -0.0002511100000000, 0.0002648700000000 ] - [ -0.0000992800000000, -0.0000968900000000, 0.0000145400000000 ] - [ 0.0035370200000000, 0.0009039200000000, -0.0013917100000000 ] - [ -0.0040968400000000, -0.0025000500000000, -0.0010357200000000 ] - [ -0.0000456500000000, 0.0001155700000000, 0.0001466800000000 ] - [ -0.0001135200000000, -0.0000597400000000, 0.0000606400000000 ] - [ 0.0057350400000000, 0.0012880400000000, -0.0019881300000000 ] - [ 0.0004660000000000, 0.0002234800000000, 0.0000481700000000 ] - [ 0.0002555500000000, 0.0000943300000000, -0.0004232000000000 ] - [ 0.0000055200000000, 0.0000858700000000, -0.0000430700000000 ] - [ 0.0000586000000000, 0.0000022900000000, -0.0000366900000000 ] - [ -0.0004643100000000, 0.0012547900000000, 0.0004241500000000 ] - [ -0.0000281700000000, 0.0000012400000000, -0.0001198200000000 ] - [ -0.0003816300000000, 0.0012552300000000, -0.0003759300000000 ] - [ 0.0058110800000000, 0.0011641800000000, 0.0021259300000000 ] - [ 0.0004217400000000, 0.0001661700000000, -0.0001469000000000 ] - [ 0.0001760600000000, 0.0001121100000000, 0.0004094500000000 ] - [ -0.0000125600000000, 0.0000946900000000, 0.0000294800000000 ] - [ -0.0007846400000000, 0.0003142200000000, -0.0011349600000000 ] - [ 0.0002787200000000, -0.0001052100000000, -0.0001182400000000 ] - [ 0.0002188000000000, -0.0000339100000000, 0.0001940900000000 ] - [ 0.0000384300000000, -0.0000584000000000, 0.0000249400000000 ] - [ 0.0000045600000000, 0.0000016100000000, -0.0000228700000000 ] - [ 0.0001518300000000, 0.0004322900000000, 0.0005120800000000 ] - [ -0.0000000200000000, 0.0000020900000000, 0.0000212200000000 ] - [ 0.0001110000000000, 0.0004325300000000, -0.0005094900000000 ] - [ 0.0036732200000000, 0.0012505200000000, 0.0014898400000000 ] - [ -0.0040876200000000, -0.0021092500000000, 0.0007507800000000 ] - [ 0.0000059400000000, 0.0000756800000000, -0.0000899100000000 ] - [ -0.0000731700000000, -0.0000549000000000, -0.0000330300000000 ] - [ -0.0009736000000000, 0.0002475700000000, 0.0011112500000000 ] - [ 0.0002686700000000, -0.0001311900000000, 0.0001159500000000 ] - [ 0.0001844500000000, -0.0000560000000000, -0.0001804100000000 ] - [ 0.0000242100000000, -0.0000644700000000, -0.0000397200000000 ] - [ -0.0096846300000000, 0.0194903300000000, 0.0195631000000000 ] - [ -0.0001864100000000, 0.0012040800000000, 0.0004753000000000 ] - [ -0.0003636000000000, -0.0000580800000000, 0.0003861200000000 ] - [ 0.0001805400000000, -0.0001940600000000, 0.0001703700000000 ] - [ 0.0000303500000000, 0.0003775600000000, 0.0000045500000000 ] - [ 0.0000759900000000, 0.0000408500000000, -0.0000011700000000 ] - [ 0.0000122500000000, 0.0000447700000000, -0.0000162700000000 ] - [ 0.0000716300000000, -0.0000134700000000, -0.0000140500000000 ] - [ -0.0000178600000000, 0.0002436300000000, -0.0001368000000000 ] - [ 0.0000254300000000, 0.0001494400000000, -0.0000419000000000 ] - [ -0.0000309300000000, 0.0000028800000000, -0.0000221800000000 ] - [ -0.0001595500000000, 0.0001078800000000, -0.0000219100000000 ] - [ 0.0016910700000000, 0.0005040400000000, -0.0002147600000000 ] - [ 0.0002297000000000, -0.0000027300000000, -0.0002030700000000 ] - [ 0.0024411300000000, 0.0006410000000000, 0.0003578400000000 ] - [ 0.0002368800000000, -0.0000570900000000, 0.0002504300000000 ] - [ -0.0009488000000000, -0.0002457700000000, -0.0001220200000000 ] - [ 0.0011260200000000, 0.0013201400000000, 0.0001224600000000 ] - [ -0.0011558100000000, -0.0000709300000000, 0.0001300500000000 ] - [ 0.0009722700000000, 0.0013773600000000, -0.0000565400000000 ]- atom: 21 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0085056300000000, -0.0155921900000000, 0.0096007300000000 ] - [ 0.0006681100000000, -0.0000601900000000, -0.0000231400000000 ] - [ -0.0000700300000000, -0.0000721600000000, 0.0000054600000000 ] - [ 0.0000808000000000, -0.0001521300000000, -0.0000017000000000 ] - [ -0.0000464600000000, -0.0002342500000000, 0.0003504600000000 ] - [ -0.0003130100000000, 0.0004039200000000, 0.0002143200000000 ] - [ -0.0000641900000000, 0.0000760200000000, -0.0000238400000000 ] - [ 0.0000571300000000, 0.0001265300000000, -0.0000411500000000 ] - [ -0.0005136300000000, -0.0010980100000000, 0.0007233800000000 ] - [ -0.0000928400000000, 0.0001275900000000, -0.0001716800000000 ] - [ -0.0001123100000000, -0.0001311400000000, -0.0000228700000000 ] - [ 0.0001164300000000, 0.0000302600000000, 0.0000968400000000 ] - [ 0.0034096200000000, -0.0025441400000000, -0.0079276900000000 ] - [ 0.0002970800000000, -0.0005218100000000, 0.0001638400000000 ] - [ -0.0001272100000000, 0.0000848000000000, 0.0000115000000000 ] - [ 0.0001396200000000, -0.0000577000000000, 0.0000121900000000 ] - [ 0.0002628500000000, 0.0005769100000000, -0.0000779700000000 ] - [ -0.0000371600000000, 0.0000012700000000, -0.0000731600000000 ] - [ -0.0000283800000000, 0.0000340300000000, 0.0000666400000000 ] - [ -0.0000387300000000, -0.0000230300000000, -0.0000121500000000 ] - [ -0.0204775600000000, 0.2194109400000000, -0.0014018300000000 ] - [ 0.0006607000000000, 0.0011607700000000, 0.0000107700000000 ] - [ -0.0001358800000000, 0.0001300800000000, 0.0000012700000000 ] - [ 0.0001488000000000, 0.0000121900000000, 0.0000014400000000 ] - [ 0.0040436600000000, -0.0742091200000000, -0.0003006700000000 ] - [ -0.0003277700000000, -0.0009417700000000, 0.0000111200000000 ] - [ -0.0002060500000000, -0.0001788400000000, -0.0000080400000000 ] - [ 0.0001077300000000, -0.0000452600000000, 0.0000057900000000 ] - [ -0.0001241100000000, 0.0000681700000000, 0.0000423000000000 ] - [ -0.0001468800000000, -0.0001516600000000, -0.0002417600000000 ] - [ -0.0000272700000000, -0.0000181900000000, -0.0000036200000000 ] - [ -0.0003213100000000, -0.0001119500000000, -0.0000297900000000 ] - [ 0.0069603900000000, -0.0057936500000000, 0.0045252500000000 ] - [ -0.0008558200000000, -0.0007322600000000, 0.0006575300000000 ] - [ 0.0001341900000000, 0.0000007500000000, -0.0000876300000000 ] - [ 0.0000075900000000, 0.0000169800000000, -0.0000192100000000 ] - [ -0.0057010300000000, -0.0031428600000000, 0.0001764100000000 ] - [ -0.0012364500000000, -0.0047480200000000, -0.0000141000000000 ] - [ -0.0000819900000000, -0.0000939000000000, 0.0000085400000000 ] - [ 0.0000127800000000, -0.0000360500000000, -0.0000070100000000 ] - [ 0.0072855800000000, -0.0058051200000000, -0.0043131500000000 ] - [ -0.0006669000000000, -0.0006896800000000, -0.0005559100000000 ] - [ 0.0001282200000000, 0.0000242500000000, 0.0000813200000000 ] - [ 0.0000081000000000, 0.0000396200000000, 0.0000327000000000 ] - [ -0.0051499700000000, -0.0196196500000000, -0.0135435800000000 ] - [ 0.0024738300000000, -0.0002309800000000, 0.0013552600000000 ] - [ 0.0000315300000000, -0.0000032000000000, -0.0001218500000000 ] - [ 0.0000436300000000, -0.0000075500000000, -0.0000316200000000 ] - [ 0.0002979400000000, -0.0156821900000000, 0.0006973600000000 ] - [ -0.0010273100000000, -0.0000759200000000, -0.0002000300000000 ] - [ -0.0000492000000000, 0.0000913000000000, -0.0000040200000000 ] - [ -0.0000078500000000, 0.0000782900000000, -0.0000117200000000 ] - [ -0.0000050400000000, -0.0000403400000000, 0.0000534800000000 ] - [ -0.0001296000000000, -0.0002854500000000, 0.0003084900000000 ] - [ 0.0000245200000000, -0.0000280400000000, 0.0000182100000000 ] - [ -0.0003104700000000, -0.0001628500000000, 0.0000155600000000 ] - [ -0.0049601400000000, -0.0208584400000000, 0.0130604900000000 ] - [ 0.0022207400000000, -0.0001178400000000, -0.0016320300000000 ] - [ 0.0000217100000000, -0.0000387400000000, 0.0001266900000000 ] - [ 0.0000533200000000, -0.0000364800000000, 0.0000320600000000 ] - [ 0.0002291000000000, 0.0004851800000000, 0.0001037600000000 ] - [ 0.0000497000000000, -0.0000175400000000, 0.0000907200000000 ] - [ 0.0000044100000000, 0.0000166000000000, -0.0000257700000000 ] - [ 0.0000185800000000, -0.0000260600000000, 0.0000631300000000 ] - [ 0.0091856900000000, -0.0191896700000000, 0.0174236800000000 ] - [ 0.0003015200000000, -0.0013526900000000, 0.0004114000000000 ] - [ 0.0003283600000000, 0.0000342100000000, 0.0003662200000000 ] - [ -0.0001843500000000, 0.0001916800000000, 0.0001793300000000 ] - [ -0.0000259000000000, 0.0001116800000000, 0.0000145000000000 ] - [ 0.0000419200000000, -0.0000750900000000, 0.0000367900000000 ] - [ -0.0000111700000000, 0.0001114200000000, -0.0000355400000000 ] - [ 0.0000543000000000, -0.0000743400000000, -0.0000473400000000 ] - [ -0.0000354700000000, 0.0002676500000000, 0.0002839300000000 ] - [ 0.0000899500000000, 0.0001150500000000, 0.0000421300000000 ] - [ -0.0000133800000000, 0.0002684000000000, -0.0002835500000000 ] - [ 0.0000886500000000, 0.0001154900000000, -0.0000301000000000 ] - [ -0.0035842100000000, -0.0009224800000000, 0.0014141300000000 ] - [ 0.0040579700000000, 0.0024805200000000, 0.0010757800000000 ] - [ -0.0000212800000000, -0.0001162900000000, -0.0001209400000000 ] - [ 0.0000448600000000, 0.0000583800000000, -0.0000366800000000 ] - [ -0.0057626600000000, -0.0012428600000000, 0.0020334900000000 ] - [ -0.0004656100000000, -0.0001578000000000, -0.0000436100000000 ] - [ -0.0002564600000000, -0.0000281100000000, 0.0004297900000000 ] - [ -0.0000056300000000, -0.0000195100000000, 0.0000470000000000 ] - [ -0.0000487700000000, 0.0000174300000000, 0.0000233500000000 ] - [ 0.0004727600000000, -0.0012426800000000, -0.0004485000000000 ] - [ 0.0000404700000000, 0.0000168200000000, 0.0001042600000000 ] - [ 0.0003889500000000, -0.0012425000000000, 0.0003697500000000 ] - [ -0.0058415400000000, -0.0010882900000000, -0.0021836700000000 ] - [ -0.0004218400000000, -0.0000682400000000, 0.0001281800000000 ] - [ -0.0001774600000000, -0.0000157000000000, -0.0004316600000000 ] - [ 0.0000124100000000, 0.0000027400000000, -0.0000487900000000 ] - [ 0.0007819300000000, -0.0003758600000000, 0.0011393600000000 ] - [ -0.0002800800000000, 0.0000371000000000, 0.0001219700000000 ] - [ -0.0002183600000000, -0.0000340000000000, -0.0001908600000000 ] - [ -0.0000381300000000, -0.0000096000000000, -0.0000225000000000 ] - [ 0.0000057600000000, -0.0000219800000000, 0.0000086000000000 ] - [ -0.0001428200000000, -0.0004526200000000, -0.0005306100000000 ] - [ 0.0000112400000000, -0.0000216700000000, -0.0000352800000000 ] - [ -0.0001011500000000, -0.0004520400000000, 0.0004981500000000 ] - [ -0.0036288300000000, -0.0012697200000000, -0.0014360900000000 ] - [ 0.0041389100000000, 0.0020866200000000, -0.0007101400000000 ] - [ 0.0000181500000000, -0.0000756600000000, 0.0001390800000000 ] - [ 0.0000959700000000, 0.0000532800000000, 0.0000843700000000 ] - [ 0.0009702400000000, -0.0003390900000000, -0.0011319600000000 ] - [ -0.0002707200000000, 0.0000329300000000, -0.0001341900000000 ] - [ -0.0001830500000000, -0.0000419800000000, 0.0001624500000000 ] - [ -0.0000241100000000, -0.0000342100000000, 0.0000224700000000 ] - [ 0.0094873900000000, -0.0192645500000000, -0.0189963700000000 ] - [ 0.0002529400000000, -0.0011998600000000, -0.0004509800000000 ] - [ 0.0004203600000000, 0.0000534100000000, -0.0003601900000000 ] - [ -0.0001107100000000, 0.0001918900000000, -0.0001449700000000 ] - [ 0.0000171400000000, -0.0003679800000000, -0.0000358300000000 ] - [ -0.0000237400000000, -0.0000412800000000, -0.0000307800000000 ] - [ 0.0000391200000000, -0.0000447400000000, -0.0000158300000000 ] - [ -0.0000214900000000, 0.0000123200000000, -0.0000180600000000 ] - [ -0.0000277400000000, -0.0002487600000000, 0.0001091000000000 ] - [ -0.0000800200000000, -0.0001498100000000, 0.0000104400000000 ] - [ -0.0000201300000000, -0.0000032300000000, -0.0000087300000000 ] - [ 0.0001099300000000, -0.0001100500000000, -0.0000088400000000 ] - [ -0.0016294500000000, -0.0005101100000000, 0.0001284700000000 ] - [ -0.0001807100000000, 0.0000041900000000, 0.0001696400000000 ] - [ -0.0023698600000000, -0.0006480400000000, -0.0003254700000000 ] - [ -0.0001892200000000, 0.0000599200000000, -0.0002801400000000 ] - [ 0.0008929200000000, 0.0002517300000000, 0.0000973400000000 ] - [ -0.0011606500000000, -0.0013133000000000, -0.0001542900000000 ] - [ 0.0011011700000000, 0.0000779600000000, -0.0001666600000000 ] - [ -0.0010057000000000, -0.0013665100000000, 0.0000276900000000 ]- atom: 21 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0050637000000000, -0.0093423500000000, 0.0036774000000000 ] - [ -0.0002955700000000, -0.0001931300000000, 0.0001549600000000 ] - [ 0.0000058700000000, -0.0000552000000000, -0.0000775900000000 ] - [ -0.0000276800000000, -0.0000535900000000, -0.0000963000000000 ] - [ -0.0001478600000000, 0.0002159600000000, 0.0003023700000000 ] - [ 0.0002322500000000, -0.0001571300000000, 0.0001887600000000 ] - [ 0.0000190500000000, 0.0000824100000000, -0.0000904100000000 ] - [ -0.0000209700000000, 0.0000384200000000, -0.0000780500000000 ] - [ -0.0002906000000000, -0.0009529000000000, 0.0001390400000000 ] - [ -0.0002162600000000, 0.0001811000000000, 0.0000637300000000 ] - [ -0.0000864600000000, -0.0001469100000000, -0.0000011600000000 ] - [ 0.0000243100000000, -0.0000894900000000, -0.0001433300000000 ] - [ -0.0072669900000000, 0.0053591200000000, 0.0111063700000000 ] - [ 0.0000657700000000, 0.0000813400000000, 0.0002842900000000 ] - [ 0.0000116500000000, 0.0001659300000000, -0.0001273600000000 ] - [ 0.0000135700000000, 0.0000302100000000, -0.0000326200000000 ] - [ 0.0002108400000000, -0.0000967700000000, -0.0000273900000000 ] - [ -0.0000571800000000, 0.0000553200000000, 0.0000811300000000 ] - [ 0.0001152900000000, -0.0001255700000000, -0.0000135600000000 ] - [ 0.0000172300000000, 0.0000090700000000, -0.0000240500000000 ] - [ 0.0072259500000000, 0.0003735600000000, -0.2018696900000000 ] - [ 0.0000605800000000, -0.0000265200000000, 0.0037267600000000 ] - [ -0.0000176200000000, -0.0000188300000000, 0.0002148500000000 ] - [ -0.0000126700000000, -0.0000183700000000, 0.0000683700000000 ] - [ 0.0002870500000000, -0.0005982400000000, 0.0099258200000000 ] - [ -0.0000365700000000, 0.0000276100000000, 0.0003334700000000 ] - [ 0.0000126600000000, 0.0000076400000000, 0.0005920400000000 ] - [ -0.0000037500000000, 0.0000223700000000, 0.0000154900000000 ] - [ -0.0000216100000000, -0.0000377300000000, 0.0000968400000000 ] - [ 0.0000237300000000, -0.0002496300000000, 0.0002031800000000 ] - [ -0.0000111600000000, 0.0000130600000000, -0.0000184200000000 ] - [ -0.0002384800000000, -0.0001303000000000, -0.0000261300000000 ] - [ 0.0019826300000000, -0.0069773900000000, -0.0013328900000000 ] - [ -0.0004394400000000, 0.0005539800000000, 0.0010756300000000 ] - [ 0.0000389800000000, -0.0000304500000000, -0.0000146800000000 ] - [ 0.0000109400000000, 0.0000608700000000, -0.0000075400000000 ] - [ 0.0001440900000000, 0.0001880500000000, -0.0023385800000000 ] - [ -0.0001489800000000, -0.0000049800000000, 0.0038524900000000 ] - [ 0.0000197900000000, 0.0000250900000000, 0.0000480700000000 ] - [ 0.0000037900000000, 0.0000079200000000, -0.0000441500000000 ] - [ -0.0018911800000000, 0.0069334900000000, -0.0010083100000000 ] - [ 0.0004755700000000, -0.0003591100000000, 0.0008176100000000 ] - [ -0.0000210100000000, 0.0001044000000000, -0.0000020300000000 ] - [ -0.0000037200000000, 0.0000142800000000, -0.0000303600000000 ] - [ 0.0122384000000000, 0.0126869300000000, 0.0179701100000000 ] - [ -0.0025315000000000, -0.0030340200000000, 0.0005841800000000 ] - [ -0.0000083400000000, 0.0000230000000000, 0.0000352200000000 ] - [ -0.0000186300000000, -0.0000552800000000, 0.0000263900000000 ] - [ 0.0000173600000000, -0.0006883100000000, 0.0264980700000000 ] - [ 0.0001594900000000, 0.0001742200000000, -0.0060387500000000 ] - [ 0.0000114200000000, -0.0000121600000000, -0.0000628000000000 ] - [ 0.0000067700000000, -0.0000046300000000, 0.0000314600000000 ] - [ 0.0000804500000000, -0.0000119000000000, 0.0001470100000000 ] - [ -0.0000327600000000, 0.0002482800000000, 0.0002567500000000 ] - [ -0.0000110400000000, 0.0000140300000000, -0.0000165400000000 ] - [ 0.0002316600000000, 0.0001318300000000, 0.0000447000000000 ] - [ -0.0122290400000000, -0.0125235000000000, 0.0198659900000000 ] - [ 0.0029352800000000, 0.0028310400000000, -0.0000235200000000 ] - [ 0.0000154900000000, -0.0000965400000000, 0.0000269100000000 ] - [ 0.0000323900000000, -0.0000174600000000, -0.0000037700000000 ] - [ -0.0002039600000000, 0.0001078600000000, -0.0001076400000000 ] - [ 0.0000826900000000, -0.0000367000000000, 0.0001078600000000 ] - [ -0.0000932000000000, 0.0001290700000000, -0.0000265600000000 ] - [ 0.0000066200000000, -0.0000199500000000, -0.0000386200000000 ] - [ 0.0070051800000000, -0.0157332200000000, 0.0394715700000000 ] - [ -0.0008773000000000, -0.0012582900000000, 0.0004476600000000 ] - [ 0.0009269200000000, 0.0001375300000000, 0.0002958200000000 ] - [ 0.0000034600000000, -0.0003022300000000, -0.0001040500000000 ] - [ -0.0000538200000000, 0.0000190300000000, -0.0001532900000000 ] - [ -0.0000187000000000, 0.0000305900000000, -0.0000225400000000 ] - [ 0.0000656800000000, -0.0000304300000000, -0.0001527200000000 ] - [ 0.0000266600000000, -0.0000526300000000, -0.0000225000000000 ] - [ -0.0001432900000000, -0.0002655200000000, -0.0003220200000000 ] - [ -0.0000636200000000, -0.0000137100000000, 0.0000091500000000 ] - [ 0.0000208500000000, 0.0002986200000000, -0.0003223300000000 ] - [ 0.0000554000000000, 0.0000587700000000, 0.0000089100000000 ] - [ 0.0049825500000000, 0.0013946100000000, -0.0006096500000000 ] - [ -0.0061002900000000, 0.0023024400000000, 0.0038252300000000 ] - [ -0.0000576100000000, -0.0000024000000000, -0.0000500700000000 ] - [ -0.0001707600000000, 0.0000790100000000, 0.0000119800000000 ] - [ -0.0033798500000000, -0.0005209400000000, 0.0023738700000000 ] - [ -0.0003376500000000, 0.0002423100000000, -0.0000643600000000 ] - [ 0.0003705700000000, 0.0001996300000000, -0.0000004300000000 ] - [ 0.0000258400000000, 0.0000501400000000, -0.0000121200000000 ] - [ 0.0000977000000000, 0.0001209000000000, -0.0000109300000000 ] - [ -0.0002109300000000, 0.0003783300000000, 0.0006033100000000 ] - [ 0.0000125000000000, 0.0000393500000000, -0.0000124600000000 ] - [ 0.0002073400000000, -0.0004305700000000, 0.0006066900000000 ] - [ 0.0030929500000000, 0.0005232000000000, 0.0024532700000000 ] - [ 0.0003360300000000, -0.0001756100000000, -0.0000686500000000 ] - [ -0.0003202000000000, -0.0000681600000000, -0.0000488200000000 ] - [ -0.0000085700000000, 0.0000433300000000, -0.0000054800000000 ] - [ -0.0013700600000000, -0.0004404800000000, 0.0004751200000000 ] - [ -0.0000207400000000, 0.0000168500000000, -0.0001548300000000 ] - [ 0.0001292800000000, -0.0000691900000000, -0.0000956200000000 ] - [ 0.0000046200000000, -0.0000227400000000, -0.0000327000000000 ] - [ 0.0000533800000000, 0.0000184200000000, 0.0000263900000000 ] - [ 0.0000042800000000, -0.0005146600000000, 0.0004000400000000 ] - [ -0.0000634300000000, -0.0000247500000000, 0.0000256300000000 ] - [ 0.0000126700000000, 0.0005108500000000, 0.0004013600000000 ] - [ -0.0054372700000000, -0.0013583000000000, -0.0006667300000000 ] - [ 0.0057343300000000, -0.0019676500000000, 0.0036493500000000 ] - [ -0.0000234800000000, 0.0000605400000000, -0.0001080100000000 ] - [ 0.0001057200000000, -0.0000892700000000, 0.0000158400000000 ] - [ 0.0013348000000000, 0.0003583000000000, 0.0005836500000000 ] - [ 0.0000167000000000, -0.0001070300000000, -0.0001509800000000 ] - [ -0.0001118700000000, -0.0000292800000000, -0.0001282500000000 ] - [ 0.0000001800000000, -0.0000395900000000, -0.0000373500000000 ] - [ -0.0117883100000000, 0.0201421400000000, 0.0438537700000000 ] - [ 0.0009712300000000, 0.0010551000000000, 0.0003582100000000 ] - [ -0.0010898100000000, -0.0002282000000000, 0.0001857900000000 ] - [ 0.0000113600000000, 0.0002826000000000, -0.0001198500000000 ] - [ -0.0001084900000000, 0.0001191800000000, 0.0000510900000000 ] - [ 0.0000307700000000, 0.0000024700000000, -0.0000602700000000 ] - [ 0.0000235200000000, -0.0000038100000000, -0.0000308300000000 ] - [ 0.0000316100000000, -0.0000000900000000, 0.0000327300000000 ] - [ 0.0001014400000000, 0.0001404900000000, -0.0000865700000000 ] - [ -0.0000408300000000, -0.0000185300000000, -0.0001098500000000 ] - [ -0.0000300800000000, -0.0000021300000000, 0.0000151400000000 ] - [ -0.0000311400000000, 0.0000045200000000, -0.0000042700000000 ] - [ -0.0011826500000000, 0.0039434200000000, 0.0090632800000000 ] - [ 0.0001366200000000, 0.0001507200000000, 0.0000149200000000 ] - [ 0.0014318300000000, -0.0039726500000000, 0.0093727800000000 ] - [ -0.0001251100000000, -0.0002589700000000, -0.0000898500000000 ] - [ -0.0021333600000000, -0.0005477300000000, -0.0009811700000000 ] - [ -0.0005139000000000, 0.0017210200000000, -0.0006433500000000 ] - [ 0.0026108200000000, 0.0009765700000000, -0.0013059100000000 ] - [ 0.0003392500000000, -0.0016046600000000, -0.0006843000000000 ]- atom: 21 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0050140700000000, 0.0090515500000000, -0.0037112900000000 ] - [ 0.0002994000000000, 0.0000663900000000, -0.0001530100000000 ] - [ -0.0000064000000000, -0.0000755200000000, 0.0000810900000000 ] - [ 0.0000273100000000, -0.0000783800000000, 0.0001008500000000 ] - [ 0.0001486400000000, -0.0000786100000000, -0.0003001000000000 ] - [ -0.0002346600000000, 0.0002966900000000, -0.0001867500000000 ] - [ -0.0000192200000000, 0.0000532600000000, 0.0000934100000000 ] - [ 0.0000201900000000, 0.0000965000000000, 0.0000797800000000 ] - [ 0.0002896000000000, 0.0008248800000000, -0.0001374800000000 ] - [ 0.0002149500000000, -0.0003071600000000, -0.0000629300000000 ] - [ 0.0000876500000000, 0.0000187500000000, 0.0000053800000000 ] - [ -0.0000249600000000, -0.0000405100000000, 0.0001485600000000 ] - [ 0.0075023500000000, -0.0054656300000000, -0.0114809400000000 ] - [ -0.0000562900000000, 0.0000544100000000, -0.0002793500000000 ] - [ -0.0000104700000000, -0.0000286100000000, 0.0001311600000000 ] - [ -0.0000139100000000, 0.0001039100000000, 0.0000350800000000 ] - [ -0.0002312300000000, 0.0000972300000000, 0.0000774000000000 ] - [ 0.0000352000000000, -0.0000555500000000, -0.0000309400000000 ] - [ -0.0001367500000000, 0.0001260200000000, 0.0000646600000000 ] - [ -0.0000398700000000, -0.0000096700000000, 0.0000747300000000 ] - [ -0.0038383800000000, -0.0021442900000000, 0.2022734900000000 ] - [ -0.0000617500000000, 0.0000108800000000, -0.0037407500000000 ] - [ 0.0000046200000000, -0.0000018000000000, -0.0002303800000000 ] - [ 0.0000012200000000, 0.0000004900000000, -0.0000845000000000 ] - [ -0.0003070900000000, 0.0000014400000000, -0.0099521500000000 ] - [ 0.0000196300000000, -0.0000103600000000, -0.0003488900000000 ] - [ -0.0000178300000000, 0.0000087000000000, -0.0006078800000000 ] - [ -0.0000079900000000, -0.0000041200000000, -0.0000311600000000 ] - [ -0.0000478400000000, 0.0000375600000000, -0.0000717600000000 ] - [ -0.0000926100000000, 0.0002513400000000, -0.0001776400000000 ] - [ -0.0000581200000000, -0.0000136000000000, 0.0000437300000000 ] - [ 0.0001698600000000, 0.0001279000000000, 0.0000515700000000 ] - [ -0.0019795100000000, 0.0070580500000000, 0.0013442300000000 ] - [ 0.0004277800000000, -0.0004862100000000, -0.0010707800000000 ] - [ -0.0000386800000000, 0.0000970900000000, 0.0000131000000000 ] - [ -0.0000106100000000, 0.0000060800000000, 0.0000110100000000 ] - [ -0.0001348900000000, -0.0001789300000000, 0.0023251400000000 ] - [ 0.0001728100000000, 0.0000090000000000, -0.0038697800000000 ] - [ -0.0000061700000000, -0.0000074700000000, -0.0000638000000000 ] - [ 0.0000068200000000, 0.0000068600000000, 0.0000285700000000 ] - [ 0.0019033500000000, -0.0068302000000000, 0.0009786200000000 ] - [ -0.0004849800000000, 0.0004582300000000, -0.0008365600000000 ] - [ 0.0000216500000000, -0.0000078700000000, -0.0000127900000000 ] - [ 0.0000039200000000, 0.0000828400000000, 0.0000110300000000 ] - [ -0.0128673700000000, -0.0129745800000000, -0.0181206300000000 ] - [ 0.0025577800000000, 0.0029569400000000, -0.0005721200000000 ] - [ 0.0000083700000000, -0.0000908200000000, -0.0000319000000000 ] - [ 0.0000193300000000, -0.0000132300000000, -0.0000235900000000 ] - [ -0.0003273100000000, 0.0007172500000000, -0.0265216800000000 ] - [ -0.0001098900000000, -0.0002123100000000, 0.0060265100000000 ] - [ -0.0000008200000000, -0.0000055900000000, 0.0000480500000000 ] - [ 0.0000046500000000, -0.0000121200000000, -0.0000476200000000 ] - [ -0.0000585100000000, 0.0000117400000000, -0.0000980300000000 ] - [ 0.0000551200000000, -0.0002465500000000, -0.0002089300000000 ] - [ 0.0000330500000000, -0.0000142500000000, 0.0000672700000000 ] - [ -0.0002095700000000, -0.0001345700000000, 0.0000053600000000 ] - [ 0.0115668100000000, 0.0121997500000000, -0.0197445600000000 ] - [ -0.0029063000000000, -0.0029390100000000, -0.0000044700000000 ] - [ -0.0000158400000000, -0.0000016300000000, -0.0000458500000000 ] - [ -0.0000312900000000, -0.0000813200000000, -0.0000154600000000 ] - [ 0.0002739500000000, -0.0001074800000000, 0.0001316700000000 ] - [ -0.0000135800000000, 0.0000362900000000, -0.0000828800000000 ] - [ 0.0001626600000000, -0.0001299200000000, 0.0000510500000000 ] - [ 0.0000621800000000, 0.0000194800000000, 0.0000636100000000 ] - [ -0.0079710200000000, 0.0171905300000000, -0.0414727600000000 ] - [ 0.0008632700000000, 0.0012546200000000, -0.0003958500000000 ] - [ -0.0009600200000000, -0.0001579900000000, -0.0002347900000000 ] - [ -0.0000251400000000, 0.0003028000000000, 0.0001554100000000 ] - [ 0.0000430800000000, -0.0000370500000000, 0.0001373400000000 ] - [ 0.0000082600000000, -0.0000488300000000, 0.0000073700000000 ] - [ -0.0000770000000000, 0.0000130500000000, 0.0001382000000000 ] - [ -0.0000380100000000, 0.0000354200000000, 0.0000071800000000 ] - [ 0.0001328800000000, 0.0002827800000000, 0.0003065000000000 ] - [ 0.0000532800000000, 0.0000311500000000, -0.0000245700000000 ] - [ -0.0000330500000000, -0.0002834500000000, 0.0003065900000000 ] - [ -0.0000657300000000, -0.0000403500000000, -0.0000251000000000 ] - [ -0.0050722800000000, -0.0013845800000000, 0.0006338000000000 ] - [ 0.0059662000000000, -0.0022794000000000, -0.0037701700000000 ] - [ -0.0000196600000000, 0.0000034400000000, 0.0000802400000000 ] - [ 0.0001020800000000, -0.0000790900000000, 0.0000083500000000 ] - [ 0.0033665500000000, 0.0005681800000000, -0.0023625700000000 ] - [ 0.0003366600000000, -0.0001763300000000, 0.0000671300000000 ] - [ -0.0003699500000000, -0.0001331400000000, 0.0000055000000000 ] - [ -0.0000255000000000, 0.0000159000000000, 0.0000149900000000 ] - [ -0.0000880300000000, -0.0001032900000000, -0.0000041300000000 ] - [ 0.0002194300000000, -0.0003671600000000, -0.0006223900000000 ] - [ -0.0000004000000000, -0.0000207900000000, -0.0000052300000000 ] - [ -0.0002004400000000, 0.0004425900000000, -0.0006192900000000 ] - [ -0.0031098500000000, -0.0004438200000000, -0.0024796300000000 ] - [ -0.0003375400000000, 0.0002723200000000, 0.0000498800000000 ] - [ 0.0003209600000000, 0.0001656500000000, 0.0000277600000000 ] - [ 0.0000090600000000, 0.0000537300000000, -0.0000133300000000 ] - [ 0.0013797000000000, 0.0003743600000000, -0.0004728100000000 ] - [ 0.0000219200000000, -0.0000843800000000, 0.0001577600000000 ] - [ -0.0001276700000000, 0.0000011100000000, 0.0000984400000000 ] - [ -0.0000041000000000, -0.0000444700000000, 0.0000356000000000 ] - [ -0.0000423700000000, -0.0000376000000000, -0.0000410200000000 ] - [ 0.0000044700000000, 0.0004935800000000, -0.0004167200000000 ] - [ 0.0000743600000000, 0.0000067300000000, -0.0000415100000000 ] - [ -0.0000029000000000, -0.0005319700000000, -0.0004156300000000 ] - [ 0.0054343700000000, 0.0013677700000000, 0.0007162100000000 ] - [ -0.0057716900000000, 0.0019930200000000, -0.0036360800000000 ] - [ 0.0000384900000000, -0.0000564400000000, 0.0001548100000000 ] - [ -0.0000836500000000, 0.0000893300000000, 0.0000391900000000 ] - [ -0.0013270500000000, -0.0004543200000000, -0.0005982500000000 ] - [ -0.0000156600000000, 0.0000091800000000, 0.0001325400000000 ] - [ 0.0001130800000000, -0.0000695400000000, 0.0001101900000000 ] - [ 0.0000003600000000, -0.0000581400000000, 0.0000190300000000 ] - [ 0.0108059100000000, -0.0185671000000000, -0.0417372900000000 ] - [ -0.0008931200000000, -0.0010601600000000, -0.0003355700000000 ] - [ 0.0011524500000000, 0.0002071400000000, -0.0001729700000000 ] - [ 0.0000572900000000, -0.0002821000000000, 0.0001435900000000 ] - [ 0.0001623300000000, -0.0001215200000000, -0.0000823800000000 ] - [ 0.0000232700000000, -0.0000030400000000, 0.0000289800000000 ] - [ 0.0000301900000000, 0.0000039100000000, -0.0000005700000000 ] - [ 0.0000215500000000, -0.0000007700000000, -0.0000644500000000 ] - [ -0.0001559200000000, -0.0001401300000000, 0.0000566100000000 ] - [ -0.0000136600000000, 0.0000181200000000, 0.0000794500000000 ] - [ -0.0000233900000000, 0.0000026000000000, -0.0000454100000000 ] - [ -0.0000217300000000, -0.0000058600000000, -0.0000262300000000 ] - [ 0.0012344700000000, -0.0038662200000000, -0.0089682100000000 ] - [ -0.0000899100000000, -0.0001535000000000, -0.0000488000000000 ] - [ -0.0013905600000000, 0.0040749300000000, -0.0095573900000000 ] - [ 0.0001703400000000, 0.0002562500000000, 0.0000585600000000 ] - [ 0.0020923300000000, 0.0005591700000000, 0.0009766100000000 ] - [ 0.0004756900000000, -0.0017236500000000, 0.0006123800000000 ] - [ -0.0026601500000000, -0.0009806600000000, 0.0012598700000000 ] - [ -0.0003832000000000, 0.0016078600000000, 0.0006582400000000 ]- atom: 29 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0002717100000000, -0.0010205500000000, -0.0003960400000000 ] - [ -0.0001081200000000, -0.0000344900000000, 0.0002109900000000 ] - [ 0.0004145900000000, 0.0000348800000000, -0.0003315000000000 ] - [ -0.0000048100000000, -0.0002131900000000, -0.0002557700000000 ] - [ 0.0002717100000000, 0.0010205500000000, -0.0003960400000000 ] - [ -0.0001081200000000, 0.0000344900000000, 0.0002109900000000 ] - [ 0.0004145900000000, -0.0000348800000000, -0.0003315000000000 ] - [ -0.0000048100000000, 0.0002131900000000, -0.0002557700000000 ] - [ -0.0002764000000000, 0.0000695500000000, 0.0007303600000000 ] - [ -0.0000048100000000, 0.0000435100000000, -0.0000368200000000 ] - [ 0.0000498200000000, 0.0001561000000000, -0.0000864500000000 ] - [ -0.0000326600000000, 0.0000287500000000, -0.0000160700000000 ] - [ -0.0002764000000000, -0.0000695500000000, 0.0007303600000000 ] - [ -0.0000048100000000, -0.0000435100000000, -0.0000368200000000 ] - [ 0.0000498200000000, -0.0001561000000000, -0.0000864500000000 ] - [ -0.0000326600000000, -0.0000287500000000, -0.0000160700000000 ] - [ 0.0023087600000000, 0.0000000000000000, 0.0005189300000000 ] - [ 0.0007413000000000, 0.0000000000000000, 0.0004108100000000 ] - [ 0.0010425800000000, 0.0000000000000000, -0.0001642500000000 ] - [ 0.0025574400000000, 0.0000000000000000, 0.0016099700000000 ] - [ 0.0000827900000000, 0.0000776600000000, 0.0000057300000000 ] - [ 0.0001313900000000, 0.0001033300000000, 0.0000520300000000 ] - [ -0.0000027800000000, -0.0000188200000000, 0.0000165900000000 ] - [ -0.0000341100000000, 0.0002751700000000, -0.0002110100000000 ] - [ 0.0000827900000000, -0.0000776600000000, 0.0000057300000000 ] - [ 0.0001313900000000, -0.0001033300000000, 0.0000520300000000 ] - [ -0.0000027800000000, 0.0000188200000000, 0.0000165900000000 ] - [ -0.0000341100000000, -0.0002751700000000, -0.0002110100000000 ] - [ -0.2964495200000000, 0.0000000000000000, 0.0651977000000000 ] - [ -0.0001213300000000, 0.0000000000000000, -0.0003534400000000 ] - [ -0.0001151200000000, 0.0000000000000000, 0.0002484000000000 ] - [ 0.0000578500000000, 0.0000000000000000, 0.0000849800000000 ] - [ 0.0000464500000000, 0.0001031000000000, -0.0000021000000000 ] - [ 0.0004259400000000, -0.0004478100000000, 0.0014022900000000 ] - [ -0.0000329800000000, 0.0000842100000000, -0.0000246300000000 ] - [ 0.0001960500000000, 0.0003364000000000, 0.0001689500000000 ] - [ -0.0002796700000000, -0.0001840900000000, 0.0002331300000000 ] - [ 0.0000294000000000, -0.0000030800000000, -0.0000548400000000 ] - [ -0.0000721800000000, 0.0000415000000000, 0.0001213400000000 ] - [ -0.0000038600000000, 0.0000275400000000, 0.0000208400000000 ] - [ -0.0000270700000000, 0.0001210200000000, 0.0000375900000000 ] - [ -0.0000798100000000, 0.0001519900000000, 0.0000149700000000 ] - [ -0.0001009700000000, -0.0000121600000000, -0.0000894600000000 ] - [ 0.0013306300000000, -0.0003500300000000, 0.0004964800000000 ] - [ 0.0000464500000000, -0.0001031000000000, -0.0000021000000000 ] - [ 0.0004259400000000, 0.0004478100000000, 0.0014022900000000 ] - [ -0.0000329800000000, -0.0000842100000000, -0.0000246300000000 ] - [ 0.0001960500000000, -0.0003364000000000, 0.0001689500000000 ] - [ -0.0002796700000000, 0.0001840900000000, 0.0002331300000000 ] - [ 0.0000294000000000, 0.0000030800000000, -0.0000548400000000 ] - [ -0.0000721800000000, -0.0000415000000000, 0.0001213400000000 ] - [ -0.0000038600000000, -0.0000275400000000, 0.0000208400000000 ] - [ -0.0058110900000000, 0.0000000000000000, 0.0028762900000000 ] - [ 0.0005985600000000, 0.0000000000000000, -0.0000773800000000 ] - [ 0.0007774400000000, 0.0000000000000000, 0.0004485900000000 ] - [ 0.0013268100000000, 0.0000000000000000, 0.0000712600000000 ] - [ -0.0000270700000000, -0.0001210200000000, 0.0000375900000000 ] - [ -0.0000798100000000, -0.0001519900000000, 0.0000149700000000 ] - [ -0.0001009700000000, 0.0000121600000000, -0.0000894600000000 ] - [ 0.0013306300000000, 0.0003500300000000, 0.0004964800000000 ] - [ 0.0028201600000000, 0.0000000000000000, -0.0009090700000000 ] - [ 0.0968286100000000, 0.0000000000000000, 0.0015421700000000 ] - [ 0.0000891000000000, 0.0000000000000000, -0.0001042700000000 ] - [ -0.0000560600000000, 0.0000000000000000, 0.0001863900000000 ] - [ -0.0000330500000000, 0.0000000000000000, 0.0001458700000000 ] - [ 0.0005330000000000, 0.0000000000000000, -0.0000759000000000 ] - [ -0.0000170200000000, 0.0000000000000000, 0.0000263100000000 ] - [ 0.0003092400000000, 0.0000000000000000, 0.0002579400000000 ] - [ 0.0045821400000000, 0.0035267700000000, 0.0050094400000000 ] - [ 0.0072159100000000, -0.0041084500000000, -0.0060925100000000 ] - [ 0.0000267800000000, -0.0000226500000000, -0.0000280600000000 ] - [ 0.0001470300000000, -0.0000892400000000, -0.0001455200000000 ] - [ 0.0045821400000000, -0.0035267700000000, 0.0050094400000000 ] - [ 0.0072159100000000, 0.0041084500000000, -0.0060925100000000 ] - [ 0.0000267800000000, 0.0000226500000000, -0.0000280600000000 ] - [ 0.0001470300000000, 0.0000892400000000, -0.0001455200000000 ] - [ -0.0001812900000000, 0.0000000000000000, -0.0001645700000000 ] - [ -0.0000315500000000, 0.0000000000000000, 0.0000347200000000 ] - [ -0.0001809100000000, 0.0000000000000000, -0.0001370000000000 ] - [ -0.0000319100000000, 0.0000000000000000, -0.0000050500000000 ] - [ 0.0000576100000000, 0.0000560600000000, -0.0000164100000000 ] - [ -0.0001490700000000, -0.0003825600000000, -0.0000307600000000 ] - [ 0.0000072100000000, 0.0007981800000000, -0.0003430600000000 ] - [ -0.0025357300000000, -0.0006395100000000, -0.0048829100000000 ] - [ 0.0211799200000000, -0.0094612900000000, 0.0111936300000000 ] - [ 0.0002928400000000, -0.0002049000000000, -0.0009454900000000 ] - [ 0.0006247000000000, -0.0003803700000000, 0.0011170500000000 ] - [ -0.0000387300000000, 0.0001569200000000, 0.0000164900000000 ] - [ -0.0004276200000000, -0.0000528600000000, 0.0001803800000000 ] - [ 0.0152649800000000, 0.0146540100000000, -0.0088220800000000 ] - [ -0.0001106600000000, -0.0000678100000000, -0.0000762600000000 ] - [ -0.0003152800000000, 0.0000291800000000, 0.0001634000000000 ] - [ 0.0000576100000000, -0.0000560600000000, -0.0000164100000000 ] - [ -0.0001490700000000, 0.0003825600000000, -0.0000307600000000 ] - [ 0.0000072100000000, -0.0007981800000000, -0.0003430600000000 ] - [ -0.0025357300000000, 0.0006395100000000, -0.0048829100000000 ] - [ 0.0211799200000000, 0.0094612900000000, 0.0111936300000000 ] - [ 0.0002928400000000, 0.0002049000000000, -0.0009454900000000 ] - [ 0.0006247000000000, 0.0003803700000000, 0.0011170500000000 ] - [ -0.0000387300000000, -0.0001569200000000, 0.0000164900000000 ] - [ -0.0003803100000000, 0.0000000000000000, -0.0004645900000000 ] - [ 0.0000538800000000, 0.0000000000000000, 0.0000365900000000 ] - [ -0.0001119500000000, 0.0000000000000000, 0.0001956700000000 ] - [ 0.0000075000000000, 0.0000000000000000, 0.0000538300000000 ] - [ -0.0004276200000000, 0.0000528600000000, 0.0001803800000000 ] - [ 0.0152649800000000, -0.0146540100000000, -0.0088220800000000 ] - [ -0.0001106600000000, 0.0000678100000000, -0.0000762600000000 ] - [ -0.0003152800000000, -0.0000291800000000, 0.0001634000000000 ] - [ 0.0000279800000000, 0.0000000000000000, -0.0000512600000000 ] - [ 0.0001480300000000, 0.0000000000000000, -0.0002150700000000 ] - [ 0.0000279500000000, 0.0000000000000000, 0.0000298400000000 ] - [ 0.0001482600000000, 0.0000000000000000, -0.0004308300000000 ] - [ 0.0204644900000000, 0.0000000000000000, -0.0190538000000000 ] - [ 0.0062830900000000, 0.0000000000000000, 0.0032130700000000 ] - [ 0.0000783800000000, 0.0000000000000000, -0.0000814500000000 ] - [ 0.0012306900000000, 0.0000000000000000, 0.0003743800000000 ] - [ 0.0699434800000000, 0.0000000000000000, -0.0509020900000000 ] - [ -0.0005732000000000, 0.0000000000000000, -0.0004479400000000 ] - [ -0.0000791900000000, 0.0000000000000000, 0.0000045300000000 ] - [ 0.0003057400000000, 0.0000000000000000, -0.0002350100000000 ] - [ 0.0000607100000000, 0.0000000000000000, -0.0000054000000000 ] - [ -0.0000004800000000, 0.0000000000000000, -0.0000313200000000 ] - [ 0.0000567300000000, 0.0000000000000000, -0.0000229900000000 ] - [ -0.0000116400000000, 0.0000000000000000, -0.0000311400000000 ] - [ -0.0000512800000000, 0.0000000000000000, -0.0000399000000000 ] - [ -0.0000316500000000, 0.0000000000000000, -0.0000290900000000 ] - [ -0.0000854100000000, 0.0000000000000000, -0.0001346300000000 ] - [ 0.0000451100000000, 0.0000000000000000, -0.0000085900000000 ]- atom: 29 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0002676000000000, 0.0008969700000000, 0.0003990700000000 ] - [ 0.0001047300000000, -0.0000881200000000, -0.0002100900000000 ] - [ -0.0004181200000000, -0.0001592200000000, 0.0003271100000000 ] - [ 0.0000082300000000, 0.0000850500000000, 0.0002581100000000 ] - [ -0.0002676000000000, -0.0008969700000000, 0.0003990700000000 ] - [ 0.0001047300000000, 0.0000881200000000, -0.0002100900000000 ] - [ -0.0004181200000000, 0.0001592200000000, 0.0003271100000000 ] - [ 0.0000082300000000, -0.0000850500000000, 0.0002581100000000 ] - [ 0.0002932200000000, -0.0001965500000000, -0.0007380900000000 ] - [ -0.0000069600000000, -0.0001639400000000, 0.0000327000000000 ] - [ -0.0000496400000000, -0.0002866500000000, 0.0000882800000000 ] - [ 0.0000319000000000, -0.0001579500000000, 0.0000188900000000 ] - [ 0.0002932200000000, 0.0001965500000000, -0.0007380900000000 ] - [ -0.0000069600000000, 0.0001639400000000, 0.0000327000000000 ] - [ -0.0000496400000000, 0.0002866500000000, 0.0000882800000000 ] - [ 0.0000319000000000, 0.0001579500000000, 0.0000188900000000 ] - [ -0.0023792200000000, 0.0000000000000000, -0.0004263700000000 ] - [ -0.0007524000000000, 0.0000000000000000, -0.0003606400000000 ] - [ -0.0010193200000000, 0.0000000000000000, 0.0002021200000000 ] - [ -0.0025830500000000, 0.0000000000000000, -0.0015370300000000 ] - [ -0.0000963000000000, -0.0001027000000000, -0.0000202800000000 ] - [ -0.0001450700000000, -0.0001265400000000, -0.0000642700000000 ] - [ -0.0000095800000000, -0.0000059000000000, -0.0000307300000000 ] - [ 0.0000216700000000, -0.0002992200000000, 0.0001969200000000 ] - [ -0.0000963000000000, 0.0001027000000000, -0.0000202800000000 ] - [ -0.0001450700000000, 0.0001265400000000, -0.0000642700000000 ] - [ -0.0000095800000000, 0.0000059000000000, -0.0000307300000000 ] - [ 0.0000216700000000, 0.0002992200000000, 0.0001969200000000 ] - [ 0.2901851300000000, 0.0000000000000000, -0.0664045600000000 ] - [ 0.0000645800000000, 0.0000000000000000, 0.0003870700000000 ] - [ 0.0000539500000000, 0.0000000000000000, -0.0002169800000000 ] - [ -0.0001246300000000, 0.0000000000000000, -0.0000601900000000 ] - [ -0.0000441300000000, -0.0000355200000000, 0.0000057900000000 ] - [ -0.0004260600000000, 0.0005476800000000, -0.0013979200000000 ] - [ 0.0000336300000000, -0.0000142300000000, 0.0000270300000000 ] - [ -0.0001964200000000, -0.0002647200000000, -0.0001668800000000 ] - [ 0.0002960400000000, 0.0002058000000000, -0.0002445400000000 ] - [ -0.0000178800000000, 0.0000283000000000, 0.0000414300000000 ] - [ 0.0000853100000000, -0.0000170100000000, -0.0001348300000000 ] - [ 0.0000163200000000, -0.0000026200000000, -0.0000351200000000 ] - [ 0.0000270000000000, -0.0000223900000000, -0.0000557600000000 ] - [ 0.0000772900000000, -0.0000517800000000, -0.0000321000000000 ] - [ 0.0001022600000000, 0.0001134800000000, 0.0000729500000000 ] - [ -0.0013292900000000, 0.0004483200000000, -0.0005046800000000 ] - [ -0.0000441300000000, 0.0000355200000000, 0.0000057900000000 ] - [ -0.0004260600000000, -0.0005476800000000, -0.0013979200000000 ] - [ 0.0000336300000000, 0.0000142300000000, 0.0000270300000000 ] - [ -0.0001964200000000, 0.0002647200000000, -0.0001668800000000 ] - [ 0.0002960400000000, -0.0002058000000000, -0.0002445400000000 ] - [ -0.0000178800000000, -0.0000283000000000, 0.0000414300000000 ] - [ 0.0000853100000000, 0.0000170100000000, -0.0001348300000000 ] - [ 0.0000163200000000, 0.0000026200000000, -0.0000351200000000 ] - [ 0.0058326300000000, 0.0000000000000000, -0.0029077000000000 ] - [ -0.0005717200000000, 0.0000000000000000, 0.0001278200000000 ] - [ -0.0008204800000000, 0.0000000000000000, -0.0003457400000000 ] - [ -0.0013065400000000, 0.0000000000000000, -0.0000118300000000 ] - [ 0.0000270000000000, 0.0000223900000000, -0.0000557600000000 ] - [ 0.0000772900000000, 0.0000517800000000, -0.0000321000000000 ] - [ 0.0001022600000000, -0.0001134800000000, 0.0000729500000000 ] - [ -0.0013292900000000, -0.0004483200000000, -0.0005046800000000 ] - [ -0.0029240900000000, 0.0000000000000000, 0.0009161300000000 ] - [ -0.0909611000000000, 0.0000000000000000, -0.0016917700000000 ] - [ -0.0000238500000000, 0.0000000000000000, 0.0001314700000000 ] - [ 0.0001219000000000, 0.0000000000000000, -0.0001616400000000 ] - [ 0.0000072600000000, 0.0000000000000000, -0.0000983500000000 ] - [ -0.0005556900000000, 0.0000000000000000, 0.0001267800000000 ] - [ -0.0000092100000000, 0.0000000000000000, 0.0000224700000000 ] - [ -0.0003339300000000, 0.0000000000000000, -0.0002092600000000 ] - [ -0.0046501200000000, -0.0035955600000000, -0.0050451300000000 ] - [ -0.0070677200000000, 0.0040463900000000, 0.0059736700000000 ] - [ -0.0000384000000000, 0.0000005200000000, 0.0000091700000000 ] - [ -0.0001600400000000, 0.0000680000000000, 0.0001272800000000 ] - [ -0.0046501200000000, 0.0035955600000000, -0.0050451300000000 ] - [ -0.0070677200000000, -0.0040463900000000, 0.0059736700000000 ] - [ -0.0000384000000000, -0.0000005200000000, 0.0000091700000000 ] - [ -0.0001600400000000, -0.0000680000000000, 0.0001272800000000 ] - [ 0.0001146300000000, 0.0000000000000000, 0.0001915400000000 ] - [ -0.0000339900000000, 0.0000000000000000, -0.0000082100000000 ] - [ 0.0001150600000000, 0.0000000000000000, 0.0001621900000000 ] - [ -0.0000341800000000, 0.0000000000000000, 0.0000318900000000 ] - [ -0.0000568500000000, 0.0000170300000000, 0.0000151000000000 ] - [ 0.0001480000000000, 0.0004524400000000, 0.0000264100000000 ] - [ -0.0000236100000000, -0.0007200300000000, 0.0003433000000000 ] - [ 0.0025524100000000, 0.0007414800000000, 0.0049407900000000 ] - [ -0.0210146500000000, 0.0097090600000000, -0.0113807300000000 ] - [ -0.0002777500000000, 0.0002355200000000, 0.0009185400000000 ] - [ -0.0006128000000000, 0.0004046500000000, -0.0011264800000000 ] - [ 0.0000504500000000, -0.0001332000000000, -0.0000295000000000 ] - [ 0.0004342600000000, 0.0001566600000000, -0.0002005600000000 ] - [ -0.0150284500000000, -0.0141278600000000, 0.0085848400000000 ] - [ 0.0001106100000000, 0.0001695200000000, 0.0000577600000000 ] - [ 0.0003095500000000, 0.0000724200000000, -0.0001825000000000 ] - [ -0.0000568500000000, -0.0000170300000000, 0.0000151000000000 ] - [ 0.0001480000000000, -0.0004524400000000, 0.0000264100000000 ] - [ -0.0000236100000000, 0.0007200300000000, 0.0003433000000000 ] - [ 0.0025524100000000, -0.0007414800000000, 0.0049407900000000 ] - [ -0.0210146500000000, -0.0097090600000000, -0.0113807300000000 ] - [ -0.0002777500000000, -0.0002355200000000, 0.0009185400000000 ] - [ -0.0006128000000000, -0.0004046500000000, -0.0011264800000000 ] - [ 0.0000504500000000, 0.0001332000000000, -0.0000295000000000 ] - [ 0.0004061300000000, 0.0000000000000000, 0.0005127000000000 ] - [ -0.0000284400000000, 0.0000000000000000, 0.0000100000000000 ] - [ 0.0001374000000000, 0.0000000000000000, -0.0001465000000000 ] - [ 0.0000188500000000, 0.0000000000000000, -0.0000054500000000 ] - [ 0.0004342600000000, -0.0001566600000000, -0.0002005600000000 ] - [ -0.0150284500000000, 0.0141278600000000, 0.0085848400000000 ] - [ 0.0001106100000000, -0.0001695200000000, 0.0000577600000000 ] - [ 0.0003095500000000, -0.0000724200000000, -0.0001825000000000 ] - [ 0.0000378900000000, 0.0000000000000000, 0.0000788200000000 ] - [ -0.0000816600000000, 0.0000000000000000, 0.0002407900000000 ] - [ 0.0000378500000000, 0.0000000000000000, -0.0000043200000000 ] - [ -0.0000816100000000, 0.0000000000000000, 0.0004564100000000 ] - [ -0.0207108200000000, 0.0000000000000000, 0.0191690500000000 ] - [ -0.0061338000000000, 0.0000000000000000, -0.0032017700000000 ] - [ -0.0000444700000000, 0.0000000000000000, 0.0000489100000000 ] - [ -0.0011940100000000, 0.0000000000000000, -0.0004115700000000 ] - [ -0.0702121800000000, 0.0000000000000000, 0.0530476900000000 ] - [ 0.0005506800000000, 0.0000000000000000, 0.0004063400000000 ] - [ 0.0000317600000000, 0.0000000000000000, -0.0000246400000000 ] - [ -0.0003438700000000, 0.0000000000000000, 0.0002000400000000 ] - [ -0.0000172000000000, 0.0000000000000000, -0.0000283900000000 ] - [ 0.0000435100000000, 0.0000000000000000, -0.0000028700000000 ] - [ -0.0000129000000000, 0.0000000000000000, -0.0000106700000000 ] - [ 0.0000562600000000, 0.0000000000000000, -0.0000027700000000 ] - [ 0.0000084700000000, 0.0000000000000000, 0.0000062700000000 ] - [ -0.0000117400000000, 0.0000000000000000, -0.0000033700000000 ] - [ 0.0000420600000000, 0.0000000000000000, 0.0001012200000000 ] - [ -0.0000908400000000, 0.0000000000000000, -0.0000250200000000 ]- atom: 29 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001026200000000, 0.0000950500000000, 0.0005078600000000 ] - [ 0.0000157600000000, -0.0001329200000000, -0.0000808400000000 ] - [ -0.0000034300000000, 0.0004074800000000, 0.0004150200000000 ] - [ -0.0001382500000000, -0.0002467200000000, -0.0000091600000000 ] - [ 0.0001016300000000, 0.0002302300000000, -0.0005086600000000 ] - [ -0.0000151200000000, -0.0000005700000000, 0.0000824800000000 ] - [ 0.0000051800000000, 0.0005371000000000, -0.0004133200000000 ] - [ 0.0001373200000000, -0.0001140900000000, 0.0000120800000000 ] - [ 0.0009681700000000, 0.0007182800000000, 0.0003172300000000 ] - [ -0.0001921300000000, -0.0000729600000000, -0.0001339200000000 ] - [ -0.0000083100000000, -0.0000437700000000, -0.0000128100000000 ] - [ 0.0000260900000000, -0.0000428300000000, -0.0000447400000000 ] - [ -0.0009779600000000, 0.0008492900000000, -0.0003218100000000 ] - [ 0.0001836200000000, 0.0000557800000000, 0.0001333500000000 ] - [ 0.0000079200000000, 0.0000899100000000, 0.0000137700000000 ] - [ -0.0000266500000000, 0.0000914400000000, 0.0000466400000000 ] - [ -0.0000112100000000, -0.0075909700000000, 0.0000240100000000 ] - [ -0.0000110600000000, 0.0001685700000000, 0.0000276300000000 ] - [ -0.0000039300000000, 0.0012513600000000, 0.0000235800000000 ] - [ -0.0000162700000000, 0.0055275000000000, 0.0000371600000000 ] - [ -0.0001294400000000, -0.0000769100000000, -0.0000457400000000 ] - [ -0.0000596700000000, 0.0001398700000000, -0.0002608600000000 ] - [ -0.0000012700000000, 0.0000080800000000, 0.0000057200000000 ] - [ -0.0001587800000000, 0.0001010700000000, -0.0001368900000000 ] - [ 0.0001167000000000, -0.0000578800000000, 0.0000296600000000 ] - [ 0.0000470300000000, 0.0001680100000000, 0.0002397000000000 ] - [ -0.0000094200000000, 0.0000266500000000, -0.0000210500000000 ] - [ 0.0001486600000000, 0.0001190600000000, 0.0001218800000000 ] - [ -0.0012053500000000, -0.1688514200000000, 0.0020668900000000 ] - [ -0.0000354200000000, -0.0001230200000000, 0.0000129000000000 ] - [ -0.0000309100000000, -0.0000825500000000, 0.0000136600000000 ] - [ -0.0000348300000000, -0.0001548400000000, 0.0000123300000000 ] - [ -0.0000544400000000, -0.0000129600000000, 0.0000914200000000 ] - [ -0.0020929900000000, 0.0046624600000000, 0.0018930800000000 ] - [ -0.0000168400000000, 0.0001193800000000, 0.0000067800000000 ] - [ -0.0001635000000000, 0.0002048300000000, -0.0000253600000000 ] - [ -0.0001985800000000, -0.0004828800000000, -0.0001147800000000 ] - [ -0.0000020800000000, 0.0000258600000000, 0.0000283800000000 ] - [ 0.0000229700000000, -0.0000077600000000, -0.0001374500000000 ] - [ 0.0000291200000000, 0.0000348600000000, 0.0000121200000000 ] - [ 0.0000680100000000, 0.0001159100000000, 0.0000104200000000 ] - [ 0.0002713200000000, -0.0000472300000000, -0.0000420700000000 ] - [ 0.0000005800000000, -0.0000354000000000, 0.0000147400000000 ] - [ -0.0011808600000000, -0.0006370600000000, 0.0006985100000000 ] - [ 0.0000546500000000, -0.0000813900000000, -0.0000894900000000 ] - [ 0.0021468100000000, 0.0046780500000000, -0.0018894000000000 ] - [ 0.0000170600000000, 0.0000514800000000, -0.0000040700000000 ] - [ 0.0001625500000000, 0.0001366000000000, 0.0000272100000000 ] - [ 0.0002104200000000, -0.0004966400000000, 0.0001004900000000 ] - [ 0.0000140200000000, 0.0000082000000000, -0.0000442100000000 ] - [ -0.0000113400000000, -0.0000258300000000, 0.0001217000000000 ] - [ -0.0000180600000000, 0.0000163500000000, -0.0000279100000000 ] - [ 0.0000159400000000, -0.0031259900000000, 0.0000098200000000 ] - [ 0.0000098400000000, -0.0008247800000000, 0.0000235600000000 ] - [ 0.0000130400000000, -0.0070237100000000, 0.0000441400000000 ] - [ 0.0000113400000000, 0.0005136100000000, 0.0000265100000000 ] - [ -0.0000679900000000, 0.0000170500000000, -0.0000276200000000 ] - [ -0.0002741700000000, -0.0001448400000000, 0.0000253100000000 ] - [ -0.0000007600000000, -0.0001352200000000, -0.0000322000000000 ] - [ 0.0011812300000000, -0.0007346300000000, -0.0007208600000000 ] - [ 0.0000355300000000, 0.0043936300000000, 0.0000153800000000 ] - [ -0.0002412600000000, 0.0100098300000000, -0.0000677500000000 ] - [ 0.0000357400000000, -0.0004537800000000, 0.0000129700000000 ] - [ 0.0000346000000000, 0.0000129400000000, 0.0000131500000000 ] - [ -0.0000111600000000, 0.0000248800000000, 0.0000244400000000 ] - [ -0.0000036000000000, 0.0014297900000000, 0.0000252900000000 ] - [ -0.0000114500000000, 0.0000398900000000, 0.0000248600000000 ] - [ -0.0000114000000000, 0.0002703500000000, 0.0000239000000000 ] - [ 0.0030011000000000, 0.0009097200000000, 0.0013862800000000 ] - [ -0.0059478100000000, -0.0024990600000000, 0.0023047400000000 ] - [ -0.0005055800000000, 0.0001066100000000, -0.0000105300000000 ] - [ -0.0000474900000000, -0.0000679800000000, 0.0000711800000000 ] - [ -0.0030040500000000, 0.0009169700000000, -0.0013932000000000 ] - [ 0.0059406800000000, -0.0024825200000000, -0.0022766200000000 ] - [ 0.0004936400000000, 0.0001248400000000, -0.0000047700000000 ] - [ 0.0000367400000000, -0.0000499100000000, -0.0000870000000000 ] - [ -0.0000342100000000, 0.0000135600000000, 0.0000128300000000 ] - [ -0.0000346300000000, -0.0000478600000000, 0.0000129800000000 ] - [ -0.0000340700000000, 0.0000136600000000, 0.0000129400000000 ] - [ -0.0000349300000000, -0.0000476400000000, 0.0000132600000000 ] - [ 0.0004832700000000, 0.0002672300000000, -0.0008817300000000 ] - [ 0.0000292100000000, -0.0001387500000000, -0.0002915000000000 ] - [ -0.0002945400000000, -0.0000317800000000, 0.0000055300000000 ] - [ 0.0010724200000000, 0.0032646200000000, -0.0056946900000000 ] - [ -0.0125068100000000, 0.0194835100000000, -0.0196954100000000 ] - [ 0.0000767100000000, 0.0012104200000000, -0.0010665600000000 ] - [ -0.0003953500000000, -0.0000451800000000, 0.0002117200000000 ] - [ 0.0000207000000000, -0.0001832800000000, -0.0002900800000000 ] - [ 0.0003231100000000, -0.0001593700000000, -0.0005461900000000 ] - [ 0.0182749800000000, 0.0374731500000000, -0.0059441200000000 ] - [ 0.0001679000000000, -0.0000275700000000, -0.0000863100000000 ] - [ 0.0000033600000000, 0.0000953100000000, -0.0001284100000000 ] - [ -0.0004836600000000, 0.0001978200000000, 0.0008862800000000 ] - [ -0.0000290900000000, -0.0002029300000000, 0.0002970000000000 ] - [ 0.0002884000000000, -0.0001016500000000, -0.0000047500000000 ] - [ -0.0010723900000000, 0.0031454500000000, 0.0056151700000000 ] - [ 0.0123042300000000, 0.0192730000000000, 0.0189970500000000 ] - [ -0.0000609400000000, 0.0011930700000000, 0.0010483800000000 ] - [ 0.0004076100000000, -0.0000667800000000, -0.0002237400000000 ] - [ -0.0000091200000000, -0.0002025600000000, 0.0002747000000000 ] - [ 0.0000134300000000, -0.0000689600000000, 0.0000238000000000 ] - [ 0.0000115500000000, -0.0000292900000000, 0.0000245500000000 ] - [ 0.0000115900000000, -0.0001417700000000, 0.0000243400000000 ] - [ 0.0000114200000000, 0.0000534800000000, 0.0000247900000000 ] - [ -0.0003242900000000, -0.0002580600000000, 0.0005262700000000 ] - [ -0.0168823300000000, 0.0354365400000000, 0.0050778800000000 ] - [ -0.0001682400000000, -0.0001267200000000, 0.0000694800000000 ] - [ -0.0000043300000000, -0.0000052300000000, 0.0001099800000000 ] - [ 0.0000349200000000, -0.0000372500000000, 0.0000132900000000 ] - [ 0.0000345100000000, -0.0003081400000000, 0.0000123800000000 ] - [ 0.0000349200000000, -0.0000372200000000, 0.0000128200000000 ] - [ 0.0000347300000000, -0.0003078600000000, 0.0000141000000000 ] - [ 0.0000024400000000, -0.0057649400000000, -0.0000362700000000 ] - [ -0.0000059000000000, 0.0020158300000000, -0.0000209600000000 ] - [ 0.0000263800000000, -0.0004284300000000, -0.0000177000000000 ] - [ 0.0000277600000000, 0.0006733000000000, -0.0000185200000000 ] - [ 0.0002440600000000, 0.0408914800000000, -0.0004087400000000 ] - [ -0.0000255000000000, -0.0005147800000000, -0.0000158500000000 ] - [ -0.0000342500000000, 0.0023363300000000, -0.0000061900000000 ] - [ -0.0000290100000000, -0.0002070000000000, -0.0000149500000000 ] - [ 0.0000282200000000, -0.0000193700000000, -0.0000159800000000 ] - [ 0.0000281200000000, 0.0000099600000000, -0.0000151700000000 ] - [ 0.0000270000000000, 0.0000630700000000, -0.0000149000000000 ] - [ 0.0000266800000000, -0.0002067600000000, -0.0000125300000000 ] - [ -0.0000280200000000, -0.0000555800000000, -0.0000151200000000 ] - [ -0.0000281200000000, 0.0000133300000000, -0.0000154500000000 ] - [ -0.0000286200000000, 0.0001813900000000, -0.0000196700000000 ] - [ -0.0000288600000000, 0.0000194100000000, -0.0000148600000000 ]- atom: 29 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0000940200000000, 0.0009240200000000, 0.0009133600000000 ] - [ -0.0000204800000000, 0.0000011700000000, -0.0003337500000000 ] - [ -0.0001825700000000, 0.0000444200000000, 0.0001109500000000 ] - [ 0.0000124600000000, 0.0001270100000000, 0.0002379500000000 ] - [ -0.0000940200000000, -0.0009240200000000, 0.0009133600000000 ] - [ -0.0000204800000000, -0.0000011700000000, -0.0003337500000000 ] - [ -0.0001825700000000, -0.0000444200000000, 0.0001109500000000 ] - [ 0.0000124600000000, -0.0001270100000000, 0.0002379500000000 ] - [ 0.0007458100000000, -0.0000619400000000, -0.0012988000000000 ] - [ -0.0007676900000000, -0.0000478000000000, 0.0002222700000000 ] - [ -0.0000126900000000, -0.0002133800000000, 0.0001583800000000 ] - [ 0.0000155400000000, -0.0002567000000000, 0.0000423500000000 ] - [ 0.0007458100000000, 0.0000619400000000, -0.0012988000000000 ] - [ -0.0007676900000000, 0.0000478000000000, 0.0002222700000000 ] - [ -0.0000126900000000, 0.0002133800000000, 0.0001583800000000 ] - [ 0.0000155400000000, 0.0002567000000000, 0.0000423500000000 ] - [ 0.0007241100000000, 0.0000000000000000, 0.0000425100000000 ] - [ 0.0003093400000000, 0.0000000000000000, 0.0000201100000000 ] - [ -0.0001327100000000, 0.0000000000000000, 0.0003456700000000 ] - [ 0.0016182900000000, 0.0000000000000000, 0.0011890600000000 ] - [ -0.0001414000000000, -0.0000409300000000, 0.0000777100000000 ] - [ -0.0001942400000000, 0.0002424300000000, 0.0001820200000000 ] - [ 0.0000203200000000, 0.0000045600000000, -0.0000389500000000 ] - [ 0.0000935400000000, 0.0000329700000000, -0.0000476500000000 ] - [ -0.0001414000000000, 0.0000409300000000, 0.0000777100000000 ] - [ -0.0001942400000000, -0.0002424300000000, 0.0001820200000000 ] - [ 0.0000203200000000, -0.0000045600000000, -0.0000389500000000 ] - [ 0.0000935400000000, -0.0000329700000000, -0.0000476500000000 ] - [ 0.0692497500000000, 0.0000000000000000, -0.3266004900000000 ] - [ -0.0004036700000000, 0.0000000000000000, 0.0011052700000000 ] - [ 0.0001957100000000, 0.0000000000000000, 0.0003971800000000 ] - [ 0.0000387500000000, 0.0000000000000000, -0.0001118700000000 ] - [ -0.0000500800000000, -0.0000550300000000, 0.0000686900000000 ] - [ 0.0029603500000000, -0.0018739800000000, -0.0023388400000000 ] - [ 0.0000268400000000, -0.0000747700000000, -0.0000125300000000 ] - [ -0.0000044100000000, 0.0001945000000000, 0.0001469900000000 ] - [ 0.0001757100000000, 0.0001045300000000, -0.0001263800000000 ] - [ -0.0001150500000000, 0.0000894400000000, 0.0000886200000000 ] - [ -0.0001176500000000, -0.0000267900000000, -0.0000462200000000 ] - [ -0.0000216500000000, 0.0000627300000000, -0.0000589800000000 ] - [ 0.0000219700000000, -0.0001493900000000, -0.0001015700000000 ] - [ -0.0000306500000000, -0.0000393800000000, -0.0003958600000000 ] - [ 0.0000502000000000, 0.0000749600000000, 0.0000405200000000 ] - [ 0.0003159900000000, -0.0009028700000000, 0.0008179600000000 ] - [ -0.0000500800000000, 0.0000550300000000, 0.0000686900000000 ] - [ 0.0029603500000000, 0.0018739800000000, -0.0023388400000000 ] - [ 0.0000268400000000, 0.0000747700000000, -0.0000125300000000 ] - [ -0.0000044100000000, -0.0001945000000000, 0.0001469900000000 ] - [ 0.0001757100000000, -0.0001045300000000, -0.0001263800000000 ] - [ -0.0001150500000000, -0.0000894400000000, 0.0000886200000000 ] - [ -0.0001176500000000, 0.0000267900000000, -0.0000462200000000 ] - [ -0.0000216500000000, -0.0000627300000000, -0.0000589800000000 ] - [ -0.0021962200000000, 0.0000000000000000, 0.0147655500000000 ] - [ 0.0001539400000000, 0.0000000000000000, -0.0006092300000000 ] - [ -0.0007279200000000, 0.0000000000000000, 0.0115487100000000 ] - [ -0.0000338600000000, 0.0000000000000000, -0.0000912600000000 ] - [ 0.0000219700000000, 0.0001493900000000, -0.0001015700000000 ] - [ -0.0000306500000000, 0.0000393800000000, -0.0003958600000000 ] - [ 0.0000502000000000, -0.0000749600000000, 0.0000405200000000 ] - [ 0.0003159900000000, 0.0009028700000000, 0.0008179600000000 ] - [ 0.0009574300000000, 0.0000000000000000, 0.0003123100000000 ] - [ -0.0018628600000000, 0.0000000000000000, 0.0198194800000000 ] - [ 0.0001520900000000, 0.0000000000000000, 0.0003995800000000 ] - [ -0.0001413400000000, 0.0000000000000000, -0.0002111600000000 ] - [ 0.0000772400000000, 0.0000000000000000, -0.0001820800000000 ] - [ -0.0001843800000000, 0.0000000000000000, 0.0013608500000000 ] - [ -0.0000101000000000, 0.0000000000000000, 0.0000485600000000 ] - [ 0.0002258300000000, 0.0000000000000000, 0.0001222000000000 ] - [ 0.0032412400000000, -0.0014074600000000, -0.0006182000000000 ] - [ -0.0048959300000000, -0.0010787300000000, 0.0038078300000000 ] - [ 0.0001972900000000, 0.0001260200000000, -0.0000730600000000 ] - [ -0.0001829600000000, 0.0000384800000000, -0.0000067700000000 ] - [ 0.0032412400000000, 0.0014074600000000, -0.0006182000000000 ] - [ -0.0048959300000000, 0.0010787300000000, 0.0038078300000000 ] - [ 0.0001972900000000, -0.0001260200000000, -0.0000730600000000 ] - [ -0.0001829600000000, -0.0000384800000000, -0.0000067700000000 ] - [ -0.0001836100000000, 0.0000000000000000, 0.0000658400000000 ] - [ -0.0000518100000000, 0.0000000000000000, 0.0000432200000000 ] - [ -0.0002106800000000, 0.0000000000000000, 0.0000627000000000 ] - [ -0.0000115100000000, 0.0000000000000000, 0.0000422700000000 ] - [ -0.0000978800000000, 0.0003392900000000, -0.0002391800000000 ] - [ -0.0002860200000000, 0.0001465500000000, -0.0002782600000000 ] - [ -0.0005421600000000, 0.0001508400000000, 0.0002750800000000 ] - [ -0.0058144200000000, -0.0031255700000000, 0.0052754500000000 ] - [ 0.0091839500000000, -0.0186420900000000, 0.0417211700000000 ] - [ -0.0007272300000000, -0.0004515600000000, 0.0003447100000000 ] - [ 0.0003281200000000, -0.0003561300000000, 0.0001724800000000 ] - [ 0.0001146400000000, -0.0001482300000000, -0.0001402300000000 ] - [ 0.0000763600000000, 0.0005320500000000, -0.0002651000000000 ] - [ -0.0085645800000000, -0.0041450100000000, 0.0180656000000000 ] - [ 0.0001284000000000, 0.0001111200000000, -0.0000781600000000 ] - [ -0.0000838200000000, 0.0001312900000000, 0.0000217500000000 ] - [ -0.0000978800000000, -0.0003392900000000, -0.0002391800000000 ] - [ -0.0002860200000000, -0.0001465500000000, -0.0002782600000000 ] - [ -0.0005421600000000, -0.0001508400000000, 0.0002750800000000 ] - [ -0.0058144200000000, 0.0031255700000000, 0.0052754500000000 ] - [ 0.0091839500000000, 0.0186420900000000, 0.0417211700000000 ] - [ -0.0007272300000000, 0.0004515600000000, 0.0003447100000000 ] - [ 0.0003281200000000, 0.0003561300000000, 0.0001724800000000 ] - [ 0.0001146400000000, 0.0001482300000000, -0.0001402300000000 ] - [ 0.0004974700000000, 0.0000000000000000, 0.0003909400000000 ] - [ 0.0000268300000000, 0.0000000000000000, 0.0000155300000000 ] - [ -0.0001508900000000, 0.0000000000000000, 0.0001575200000000 ] - [ -0.0000135700000000, 0.0000000000000000, -0.0000697500000000 ] - [ 0.0000763600000000, -0.0005320500000000, -0.0002651000000000 ] - [ -0.0085645800000000, 0.0041450100000000, 0.0180656000000000 ] - [ 0.0001284000000000, -0.0001111200000000, -0.0000781600000000 ] - [ -0.0000838200000000, -0.0001312900000000, 0.0000217500000000 ] - [ 0.0000163900000000, 0.0000000000000000, 0.0000766000000000 ] - [ 0.0004760100000000, 0.0000000000000000, -0.0001114000000000 ] - [ 0.0000983000000000, 0.0000000000000000, 0.0000752800000000 ] - [ 0.0002601900000000, 0.0000000000000000, -0.0001163800000000 ] - [ -0.0126068000000000, 0.0000000000000000, -0.0012603000000000 ] - [ 0.0103281400000000, 0.0000000000000000, -0.0023512400000000 ] - [ -0.0001852100000000, 0.0000000000000000, -0.0005995600000000 ] - [ -0.0000606500000000, 0.0000000000000000, 0.0007767100000000 ] - [ -0.0553667700000000, 0.0000000000000000, 0.1431876100000000 ] - [ 0.0012782800000000, 0.0000000000000000, 0.0023900800000000 ] - [ -0.0019251000000000, 0.0000000000000000, 0.0009936900000000 ] - [ 0.0004147500000000, 0.0000000000000000, -0.0001618400000000 ] - [ -0.0000184300000000, 0.0000000000000000, -0.0000032000000000 ] - [ -0.0001382100000000, 0.0000000000000000, 0.0000325100000000 ] - [ 0.0002342500000000, 0.0000000000000000, 0.0000163900000000 ] - [ -0.0000755000000000, 0.0000000000000000, 0.0001813700000000 ] - [ 0.0000123200000000, 0.0000000000000000, -0.0000130900000000 ] - [ 0.0000551600000000, 0.0000000000000000, 0.0000292600000000 ] - [ -0.0001925700000000, 0.0000000000000000, 0.0000111300000000 ] - [ -0.0000384800000000, 0.0000000000000000, -0.0001194700000000 ]- atom: 29 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000939100000000, -0.0010418200000000, -0.0009109900000000 ] - [ 0.0000216800000000, -0.0001237000000000, 0.0003335000000000 ] - [ 0.0001983700000000, -0.0001887800000000, -0.0000985200000000 ] - [ -0.0000166600000000, -0.0002557100000000, -0.0002360300000000 ] - [ 0.0000939100000000, 0.0010418200000000, -0.0009109900000000 ] - [ 0.0000216800000000, 0.0001237000000000, 0.0003335000000000 ] - [ 0.0001983700000000, 0.0001887800000000, -0.0000985200000000 ] - [ -0.0000166600000000, 0.0002557100000000, -0.0002360300000000 ] - [ -0.0007332500000000, -0.0000460500000000, 0.0012936600000000 ] - [ 0.0007677000000000, -0.0000803800000000, -0.0002251500000000 ] - [ 0.0000127900000000, 0.0000787700000000, -0.0001523400000000 ] - [ -0.0000163400000000, 0.0001240800000000, -0.0000373000000000 ] - [ -0.0007332500000000, 0.0000460500000000, 0.0012936600000000 ] - [ 0.0007677000000000, 0.0000803800000000, -0.0002251500000000 ] - [ 0.0000127900000000, -0.0000787700000000, -0.0001523400000000 ] - [ -0.0000163400000000, -0.0001240800000000, -0.0000373000000000 ] - [ -0.0007526700000000, 0.0000000000000000, 0.0000116600000000 ] - [ -0.0003011000000000, 0.0000000000000000, 0.0000545200000000 ] - [ 0.0001210400000000, 0.0000000000000000, -0.0002961400000000 ] - [ -0.0016702300000000, 0.0000000000000000, -0.0011271700000000 ] - [ 0.0001271600000000, 0.0000176800000000, -0.0000912400000000 ] - [ 0.0001834700000000, -0.0002694600000000, -0.0001986200000000 ] - [ -0.0000305400000000, -0.0000280100000000, 0.0000238600000000 ] - [ -0.0001058400000000, -0.0000535300000000, 0.0000305500000000 ] - [ 0.0001271600000000, -0.0000176800000000, -0.0000912400000000 ] - [ 0.0001834700000000, 0.0002694600000000, -0.0001986200000000 ] - [ -0.0000305400000000, 0.0000280100000000, 0.0000238600000000 ] - [ -0.0001058400000000, 0.0000535300000000, 0.0000305500000000 ] - [ -0.0623793200000000, 0.0000000000000000, 0.3248236700000000 ] - [ 0.0003367700000000, 0.0000000000000000, -0.0010635000000000 ] - [ -0.0002694700000000, 0.0000000000000000, -0.0003677300000000 ] - [ -0.0001062000000000, 0.0000000000000000, 0.0001387400000000 ] - [ 0.0000488100000000, 0.0001248100000000, -0.0000676500000000 ] - [ -0.0029857400000000, 0.0019595100000000, 0.0023401400000000 ] - [ -0.0000256800000000, 0.0001426600000000, 0.0000154500000000 ] - [ 0.0000044700000000, -0.0001274100000000, -0.0001453100000000 ] - [ -0.0001598200000000, -0.0000834800000000, 0.0001125400000000 ] - [ 0.0001284100000000, -0.0000668800000000, -0.0001018700000000 ] - [ 0.0001299700000000, 0.0000495100000000, 0.0000320300000000 ] - [ 0.0000325000000000, -0.0000379300000000, 0.0000437800000000 ] - [ -0.0000224600000000, 0.0002475600000000, 0.0000833800000000 ] - [ 0.0000284600000000, 0.0001340000000000, 0.0003769600000000 ] - [ -0.0000497000000000, 0.0000256600000000, -0.0000565800000000 ] - [ -0.0003046600000000, 0.0010081400000000, -0.0008373200000000 ] - [ 0.0000488100000000, -0.0001248100000000, -0.0000676500000000 ] - [ -0.0029857400000000, -0.0019595100000000, 0.0023401400000000 ] - [ -0.0000256800000000, -0.0001426600000000, 0.0000154500000000 ] - [ 0.0000044700000000, 0.0001274100000000, -0.0001453100000000 ] - [ -0.0001598200000000, 0.0000834800000000, 0.0001125400000000 ] - [ 0.0001284100000000, 0.0000668800000000, -0.0001018700000000 ] - [ 0.0001299700000000, -0.0000495100000000, 0.0000320300000000 ] - [ 0.0000325000000000, 0.0000379300000000, 0.0000437800000000 ] - [ 0.0022751800000000, 0.0000000000000000, -0.0144724800000000 ] - [ -0.0001380500000000, 0.0000000000000000, 0.0006565200000000 ] - [ 0.0007280900000000, 0.0000000000000000, -0.0117905800000000 ] - [ 0.0000538100000000, 0.0000000000000000, 0.0001428000000000 ] - [ -0.0000224600000000, -0.0002475600000000, 0.0000833800000000 ] - [ 0.0000284600000000, -0.0001340000000000, 0.0003769600000000 ] - [ -0.0000497000000000, -0.0000256600000000, -0.0000565800000000 ] - [ -0.0003046600000000, -0.0010081400000000, -0.0008373200000000 ] - [ -0.0008690200000000, 0.0000000000000000, -0.0002909000000000 ] - [ 0.0013727700000000, 0.0000000000000000, -0.0197114400000000 ] - [ -0.0000836300000000, 0.0000000000000000, -0.0003656600000000 ] - [ 0.0002063400000000, 0.0000000000000000, 0.0002331800000000 ] - [ -0.0001020700000000, 0.0000000000000000, 0.0002288600000000 ] - [ 0.0001583400000000, 0.0000000000000000, -0.0013174300000000 ] - [ -0.0000161000000000, 0.0000000000000000, 0.0000017200000000 ] - [ -0.0002500300000000, 0.0000000000000000, -0.0000747000000000 ] - [ -0.0032297900000000, 0.0013981700000000, 0.0006252300000000 ] - [ 0.0048966300000000, 0.0010326100000000, -0.0037869000000000 ] - [ -0.0002052600000000, -0.0001415100000000, 0.0000583400000000 ] - [ 0.0001676200000000, -0.0000588500000000, -0.0000098500000000 ] - [ -0.0032297900000000, -0.0013981700000000, 0.0006252300000000 ] - [ 0.0048966300000000, -0.0010326100000000, -0.0037869000000000 ] - [ -0.0002052600000000, 0.0001415100000000, 0.0000583400000000 ] - [ 0.0001676200000000, 0.0000588500000000, -0.0000098500000000 ] - [ 0.0001157200000000, 0.0000000000000000, -0.0000366100000000 ] - [ -0.0000147400000000, 0.0000000000000000, -0.0000163400000000 ] - [ 0.0001454300000000, 0.0000000000000000, -0.0000397400000000 ] - [ -0.0000544100000000, 0.0000000000000000, -0.0000174100000000 ] - [ 0.0000949800000000, -0.0002595800000000, 0.0002359500000000 ] - [ 0.0002868400000000, -0.0000697300000000, 0.0002799600000000 ] - [ 0.0005443300000000, -0.0000804600000000, -0.0002713000000000 ] - [ 0.0058061300000000, 0.0032675800000000, -0.0054128900000000 ] - [ -0.0100652600000000, 0.0199368300000000, -0.0438684000000000 ] - [ 0.0007344500000000, 0.0004747200000000, -0.0003485400000000 ] - [ -0.0003184600000000, 0.0003897900000000, -0.0001848300000000 ] - [ -0.0001020800000000, 0.0001671600000000, 0.0001237400000000 ] - [ -0.0000709000000000, -0.0004279100000000, 0.0002512600000000 ] - [ 0.0084344600000000, 0.0042551500000000, -0.0180275100000000 ] - [ -0.0001264200000000, -0.0000098700000000, 0.0000585200000000 ] - [ 0.0000786400000000, -0.0000301800000000, -0.0000412600000000 ] - [ 0.0000949800000000, 0.0002595800000000, 0.0002359500000000 ] - [ 0.0002868400000000, 0.0000697300000000, 0.0002799600000000 ] - [ 0.0005443300000000, 0.0000804600000000, -0.0002713000000000 ] - [ 0.0058061300000000, -0.0032675800000000, -0.0054128900000000 ] - [ -0.0100652600000000, -0.0199368300000000, -0.0438684000000000 ] - [ 0.0007344500000000, -0.0004747200000000, -0.0003485400000000 ] - [ -0.0003184600000000, -0.0003897900000000, -0.0001848300000000 ] - [ -0.0001020800000000, -0.0001671600000000, 0.0001237400000000 ] - [ -0.0004737200000000, 0.0000000000000000, -0.0003421400000000 ] - [ -0.0000022900000000, 0.0000000000000000, 0.0000330900000000 ] - [ 0.0001769100000000, 0.0000000000000000, -0.0001088800000000 ] - [ 0.0000395700000000, 0.0000000000000000, 0.0001188000000000 ] - [ -0.0000709000000000, 0.0004279100000000, 0.0002512600000000 ] - [ 0.0084344600000000, -0.0042551500000000, -0.0180275100000000 ] - [ -0.0001264200000000, 0.0000098700000000, 0.0000585200000000 ] - [ 0.0000786400000000, 0.0000301800000000, -0.0000412600000000 ] - [ 0.0000504600000000, 0.0000000000000000, -0.0000489300000000 ] - [ -0.0004114800000000, 0.0000000000000000, 0.0001422000000000 ] - [ -0.0000317900000000, 0.0000000000000000, -0.0000502700000000 ] - [ -0.0001957100000000, 0.0000000000000000, 0.0001372100000000 ] - [ 0.0124809800000000, 0.0000000000000000, 0.0012180500000000 ] - [ -0.0102313400000000, 0.0000000000000000, 0.0023533900000000 ] - [ 0.0002379800000000, 0.0000000000000000, 0.0005622100000000 ] - [ 0.0001043200000000, 0.0000000000000000, -0.0007980400000000 ] - [ 0.0509332000000000, 0.0000000000000000, -0.1371580500000000 ] - [ -0.0013088100000000, 0.0000000000000000, -0.0024297300000000 ] - [ 0.0019100500000000, 0.0000000000000000, -0.0010762900000000 ] - [ -0.0004525700000000, 0.0000000000000000, 0.0001240000000000 ] - [ 0.0000633200000000, 0.0000000000000000, -0.0000311600000000 ] - [ 0.0001833300000000, 0.0000000000000000, -0.0000656300000000 ] - [ -0.0001856900000000, 0.0000000000000000, -0.0000480300000000 ] - [ 0.0001227600000000, 0.0000000000000000, -0.0002168200000000 ] - [ -0.0000569600000000, 0.0000000000000000, -0.0000198500000000 ] - [ -0.0001003100000000, 0.0000000000000000, -0.0000617000000000 ] - [ 0.0001442300000000, 0.0000000000000000, -0.0000428800000000 ] - [ -0.0000087700000000, 0.0000000000000000, 0.0000887400000000 ]- atom: 33 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0002186600000000, 0.0001510200000000, -0.0000092700000000 ] - [ -0.0002237400000000, -0.0002843400000000, 0.0000112200000000 ] - [ 0.0000079300000000, -0.0001455300000000, 0.0000479100000000 ] - [ 0.0000072000000000, 0.0000181100000000, -0.0000458400000000 ] - [ 0.0004370300000000, 0.0001000600000000, -0.0000812500000000 ] - [ 0.0004503900000000, 0.0000192800000000, 0.0000634100000000 ] - [ -0.0000828300000000, 0.0001678300000000, 0.0001031000000000 ] - [ -0.0000832300000000, -0.0000350100000000, -0.0000992900000000 ] - [ 0.0023298000000000, 0.0012613000000000, -0.0009487700000000 ] - [ 0.0021549200000000, -0.0013695600000000, 0.0008890800000000 ] - [ 0.0000534700000000, -0.0000641600000000, -0.0000114100000000 ] - [ 0.0000535800000000, -0.0000639100000000, 0.0000130000000000 ] - [ -0.0000493900000000, 0.0003483000000000, -0.0000820100000000 ] - [ -0.0000448400000000, -0.0002031200000000, 0.0000842100000000 ] - [ 0.0000671400000000, 0.0000868200000000, -0.0000671700000000 ] - [ 0.0000663600000000, 0.0000474900000000, 0.0000693200000000 ] - [ -0.0001045900000000, -0.0002439800000000, 0.0000444800000000 ] - [ -0.0000163900000000, -0.0000403800000000, 0.0000322700000000 ] - [ 0.0013636000000000, 0.0012788300000000, 0.0002366700000000 ] - [ -0.0001008200000000, -0.0000279800000000, 0.0000765300000000 ] - [ 0.0030491400000000, -0.0070377800000000, 0.0019652100000000 ] - [ 0.0006992300000000, 0.0008620500000000, -0.0004406000000000 ] - [ 0.0000862000000000, -0.0001450000000000, 0.0000317900000000 ] - [ 0.0000102400000000, -0.0000173800000000, 0.0000033700000000 ] - [ 0.0382329900000000, -0.0054106500000000, 0.0131381000000000 ] - [ 0.0000274700000000, 0.0024473100000000, -0.0025078300000000 ] - [ 0.0000981000000000, 0.0000419700000000, -0.0000159500000000 ] - [ 0.0000708000000000, 0.0000531000000000, -0.0000265500000000 ] - [ 0.0000115000000000, -0.0000550900000000, -0.0000371500000000 ] - [ 0.0003985100000000, -0.0021137200000000, 0.0029892500000000 ] - [ -0.0000672000000000, -0.0000169800000000, 0.0000390100000000 ] - [ 0.0001624100000000, -0.0001636300000000, 0.0000081300000000 ] - [ -0.1618468100000000, 0.0016801900000000, -0.0009638200000000 ] - [ 0.0002254900000000, 0.0000387600000000, 0.0000037300000000 ] - [ -0.0000229500000000, 0.0000346000000000, 0.0000015300000000 ] - [ 0.0001048800000000, 0.0000343800000000, 0.0000009900000000 ] - [ 0.0001294800000000, -0.0024946600000000, 0.0025820600000000 ] - [ 0.0365580900000000, 0.0046304100000000, -0.0119798600000000 ] - [ 0.0000823000000000, -0.0000342700000000, 0.0000114600000000 ] - [ 0.0001094000000000, -0.0000214400000000, 0.0000006800000000 ] - [ 0.0022185700000000, 0.0000198000000000, -0.0001691800000000 ] - [ -0.0000408600000000, 0.0000404400000000, -0.0000091000000000 ] - [ 0.0000748400000000, 0.0000489600000000, -0.0000079000000000 ] - [ 0.0002008400000000, 0.0000500400000000, -0.0000095100000000 ] - [ -0.0042964500000000, -0.0000218900000000, 0.0000024500000000 ] - [ 0.0004140200000000, -0.0000395300000000, -0.0000014600000000 ] - [ -0.0000810800000000, -0.0000348500000000, 0.0000019400000000 ] - [ -0.0000608600000000, -0.0000345500000000, 0.0000013100000000 ] - [ 0.0007010300000000, -0.0008653700000000, 0.0004250500000000 ] - [ 0.0030200100000000, 0.0069603500000000, -0.0019959000000000 ] - [ 0.0000225900000000, -0.0000034500000000, -0.0000179600000000 ] - [ 0.0000963800000000, 0.0001247200000000, -0.0000460900000000 ] - [ 0.0000075300000000, 0.0000396200000000, 0.0000176000000000 ] - [ -0.0000803600000000, 0.0002450400000000, 0.0000046600000000 ] - [ -0.0000775200000000, 0.0000271200000000, -0.0000273600000000 ] - [ 0.0013872100000000, -0.0012760900000000, -0.0001938900000000 ] - [ 0.0049933300000000, -0.0000427100000000, -0.0000122500000000 ] - [ 0.0015990100000000, -0.0000505500000000, -0.0000041500000000 ] - [ -0.0006649100000000, -0.0000494400000000, -0.0000093300000000 ] - [ -0.0001092000000000, -0.0000496600000000, -0.0000092500000000 ] - [ 0.0004531500000000, 0.0021263900000000, -0.0029568700000000 ] - [ 0.0000793300000000, 0.0000541700000000, 0.0000618200000000 ] - [ 0.0002301900000000, 0.0001628200000000, 0.0000170500000000 ] - [ 0.0000006300000000, 0.0000166800000000, -0.0000135200000000 ] - [ 0.0146881400000000, -0.0169071000000000, -0.0088397000000000 ] - [ -0.0003300500000000, -0.0002886100000000, -0.0000018000000000 ] - [ -0.0002894900000000, 0.0000269800000000, -0.0000933300000000 ] - [ -0.0001131000000000, -0.0001933700000000, 0.0001581500000000 ] - [ -0.0018187900000000, 0.0057374600000000, -0.0033864100000000 ] - [ -0.0002827500000000, 0.0004539000000000, -0.0003433100000000 ] - [ -0.0001080400000000, 0.0002467200000000, 0.0003620900000000 ] - [ -0.0000114200000000, -0.0000039800000000, 0.0000186300000000 ] - [ 0.0002177100000000, 0.0007950400000000, -0.0013828700000000 ] - [ -0.0001343000000000, -0.0002715600000000, -0.0000293300000000 ] - [ 0.0000110400000000, -0.0002079100000000, 0.0001211900000000 ] - [ 0.0000130100000000, -0.0000283800000000, -0.0000031400000000 ] - [ -0.0000066300000000, -0.0002936800000000, -0.0005294900000000 ] - [ -0.0025672600000000, 0.0010775300000000, -0.0057783600000000 ] - [ 0.0000227300000000, 0.0004833800000000, -0.0000823900000000 ] - [ -0.0001805800000000, 0.0000305700000000, -0.0002716400000000 ] - [ 0.0003769800000000, 0.0000325100000000, 0.0000033000000000 ] - [ 0.0000735100000000, 0.0000342600000000, 0.0000008100000000 ] - [ 0.0003770000000000, 0.0000343600000000, 0.0000014800000000 ] - [ 0.0000735700000000, 0.0000342800000000, 0.0000013800000000 ] - [ -0.0001234300000000, 0.0002881100000000, 0.0000137400000000 ] - [ 0.0002306000000000, -0.0007725200000000, 0.0013664800000000 ] - [ 0.0000245200000000, 0.0000478200000000, -0.0000113900000000 ] - [ 0.0000215300000000, 0.0002296100000000, -0.0001362600000000 ] - [ 0.0029648500000000, 0.0000543000000000, -0.0000115300000000 ] - [ 0.0001057000000000, 0.0000493700000000, -0.0000079500000000 ] - [ 0.0000096700000000, 0.0000497500000000, -0.0000082400000000 ] - [ -0.0000349800000000, 0.0000492700000000, -0.0000089700000000 ] - [ 0.0015316000000000, -0.0000381800000000, -0.0000116000000000 ] - [ 0.0000575900000000, -0.0000349300000000, 0.0000012600000000 ] - [ 0.0015313400000000, -0.0000272300000000, 0.0000014300000000 ] - [ 0.0000576200000000, -0.0000343300000000, 0.0000020200000000 ] - [ -0.0002712100000000, -0.0004776100000000, 0.0003307900000000 ] - [ -0.0018138500000000, -0.0057607000000000, 0.0033599200000000 ] - [ 0.0000002400000000, -0.0000154300000000, -0.0000332400000000 ] - [ -0.0000968400000000, -0.0002650200000000, -0.0003779500000000 ] - [ -0.0003234500000000, 0.0002965900000000, 0.0000527800000000 ] - [ 0.0146112400000000, 0.0163270300000000, 0.0087353500000000 ] - [ -0.0000914700000000, 0.0001909000000000, -0.0001096700000000 ] - [ -0.0002610000000000, -0.0000254000000000, 0.0001443000000000 ] - [ 0.0308194900000000, -0.0002364800000000, 0.0001157400000000 ] - [ 0.0005687100000000, -0.0000488700000000, -0.0000099000000000 ] - [ 0.0002507800000000, -0.0000498600000000, -0.0000092100000000 ] - [ 0.0000535000000000, -0.0000492000000000, -0.0000092300000000 ] - [ -0.0025210100000000, -0.0010672400000000, 0.0058422900000000 ] - [ 0.0000374400000000, 0.0002891300000000, 0.0005568300000000 ] - [ -0.0001164900000000, -0.0000277400000000, 0.0003012900000000 ] - [ 0.0000918000000000, -0.0004835300000000, 0.0001104400000000 ] - [ 0.0000788100000000, -0.0001994700000000, -0.0004376500000000 ] - [ 0.0000293700000000, 0.0000648100000000, -0.0001021200000000 ] - [ -0.0003256200000000, 0.0002293300000000, -0.0001173000000000 ] - [ 0.0000894300000000, 0.0000366300000000, -0.0000337600000000 ] - [ -0.0000209200000000, -0.0000653800000000, 0.0000692000000000 ] - [ 0.0000279300000000, 0.0002025500000000, 0.0004071500000000 ] - [ 0.0000399200000000, -0.0000363900000000, 0.0000023400000000 ] - [ -0.0003738500000000, -0.0002291500000000, 0.0000858700000000 ] - [ 0.0011531500000000, -0.0012547600000000, -0.0013128000000000 ] - [ 0.0000908300000000, -0.0001246400000000, -0.0004988200000000 ] - [ 0.0037968500000000, -0.0041724300000000, -0.0018369000000000 ] - [ -0.0005293200000000, 0.0002001300000000, 0.0001701000000000 ] - [ 0.0000438700000000, 0.0001210500000000, 0.0004638100000000 ] - [ 0.0011100800000000, 0.0012606700000000, 0.0012661400000000 ] - [ -0.0005665000000000, -0.0001883200000000, -0.0002003200000000 ] - [ 0.0037565600000000, 0.0041440000000000, 0.0017823400000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0003544400000000, 0.0000216300000000, 0.0001883400000000 ] - [ -0.0003544400000000, 0.0000216300000000, 0.0001883400000000 ] - [ 0.0000676700000000, 0.0002275400000000, -0.0000021500000000 ] - [ -0.0000676700000000, 0.0002275400000000, -0.0000021500000000 ] - [ 0.0000752300000000, -0.0008188600000000, -0.0001667400000000 ] - [ -0.0000752300000000, -0.0008188600000000, -0.0001667400000000 ] - [ 0.0002032800000000, -0.0002086700000000, -0.0001620200000000 ] - [ -0.0002032800000000, -0.0002086700000000, -0.0001620200000000 ] - [ 0.0025144200000000, -0.0019437000000000, 0.0002052900000000 ] - [ -0.0025144200000000, -0.0019437000000000, 0.0002052900000000 ] - [ -0.0000801800000000, -0.0001408400000000, -0.0000950300000000 ] - [ 0.0000801800000000, -0.0001408400000000, -0.0000950300000000 ] - [ 0.0000821300000000, 0.0009353400000000, -0.0001137800000000 ] - [ -0.0000821300000000, 0.0009353400000000, -0.0001137800000000 ] - [ -0.0000031600000000, 0.0001609000000000, 0.0000301200000000 ] - [ 0.0000031600000000, 0.0001609000000000, 0.0000301200000000 ] - [ -0.0001007000000000, -0.0000676800000000, 0.0000938000000000 ] - [ -0.0000734300000000, 0.0000681400000000, 0.0002114400000000 ] - [ 0.0003617700000000, -0.0008033100000000, 0.0011031000000000 ] - [ 0.0000457100000000, -0.0000903500000000, 0.0000316100000000 ] - [ -0.0022917900000000, 0.0058085600000000, -0.0070030800000000 ] - [ 0.0001004000000000, 0.0007594400000000, 0.0005119700000000 ] - [ -0.0000635000000000, 0.0000237800000000, -0.0000711600000000 ] - [ -0.0000082300000000, 0.0000071700000000, 0.0000196700000000 ] - [ -0.0040777700000000, 0.0196498300000000, -0.0128533000000000 ] - [ 0.0003489300000000, 0.0002051600000000, 0.0029755900000000 ] - [ -0.0000084200000000, -0.0000216900000000, -0.0000644300000000 ] - [ -0.0000336300000000, -0.0000177900000000, 0.0000128700000000 ] - [ 0.0000352200000000, -0.0000476500000000, -0.0000788300000000 ] - [ -0.0005444200000000, 0.0046992400000000, -0.0019151900000000 ] - [ 0.0000152800000000, 0.0000853100000000, -0.0000966900000000 ] - [ 0.0002673700000000, 0.0001703700000000, 0.0001733100000000 ] - [ 0.0000000000000000, -0.2404198300000000, 0.0603385200000000 ] - [ 0.0000000000000000, -0.0006028900000000, 0.0002848000000000 ] - [ 0.0000000000000000, 0.0001873800000000, -0.0001160500000000 ] - [ 0.0000000000000000, 0.0000753200000000, -0.0000842100000000 ] - [ -0.0003489300000000, 0.0002051600000000, 0.0029755900000000 ] - [ 0.0040777700000000, 0.0196498300000000, -0.0128533000000000 ] - [ 0.0000336300000000, -0.0000177900000000, 0.0000128700000000 ] - [ 0.0000084200000000, -0.0000216900000000, -0.0000644300000000 ] - [ 0.0000000000000000, 0.0190309000000000, 0.0030636400000000 ] - [ 0.0000000000000000, -0.0012329800000000, 0.0001339700000000 ] - [ 0.0000000000000000, -0.0005962900000000, -0.0000784300000000 ] - [ 0.0000000000000000, -0.0002025400000000, -0.0001876200000000 ] - [ 0.0000000000000000, 0.0084697400000000, -0.0023869100000000 ] - [ 0.0000000000000000, 0.0000715100000000, -0.0005633600000000 ] - [ 0.0000000000000000, 0.0000383100000000, -0.0000946400000000 ] - [ 0.0000000000000000, -0.0000171900000000, -0.0000200500000000 ] - [ -0.0001004000000000, 0.0007594400000000, 0.0005119700000000 ] - [ 0.0022917900000000, 0.0058085600000000, -0.0070030800000000 ] - [ 0.0000082300000000, 0.0000071700000000, 0.0000196700000000 ] - [ 0.0000635000000000, 0.0000237800000000, -0.0000711600000000 ] - [ 0.0000734300000000, 0.0000681400000000, 0.0002114400000000 ] - [ 0.0001007000000000, -0.0000676800000000, 0.0000938000000000 ] - [ -0.0000457100000000, -0.0000903500000000, 0.0000316100000000 ] - [ -0.0003617700000000, -0.0008033100000000, 0.0011031000000000 ] - [ 0.0000000000000000, 0.0031360500000000, 0.0014778500000000 ] - [ 0.0000000000000000, 0.0005951500000000, 0.0008016800000000 ] - [ 0.0000000000000000, 0.0000030300000000, -0.0002402800000000 ] - [ 0.0000000000000000, 0.0000835600000000, -0.0000877900000000 ] - [ 0.0005444200000000, 0.0046992400000000, -0.0019151900000000 ] - [ -0.0000352200000000, -0.0000476500000000, -0.0000788300000000 ] - [ -0.0002673700000000, 0.0001703700000000, 0.0001733100000000 ] - [ -0.0000152800000000, 0.0000853100000000, -0.0000966900000000 ] - [ -0.0133534500000000, 0.0347077400000000, 0.0035403600000000 ] - [ 0.0001862200000000, -0.0002077900000000, -0.0004704800000000 ] - [ -0.0000032400000000, 0.0000470300000000, -0.0000492300000000 ] - [ 0.0001148600000000, -0.0000970800000000, -0.0000539800000000 ] - [ 0.0018331000000000, 0.0012586100000000, -0.0005529700000000 ] - [ -0.0000867000000000, 0.0001813800000000, 0.0002044600000000 ] - [ -0.0004253300000000, 0.0000512900000000, 0.0001573500000000 ] - [ 0.0000367200000000, 0.0000445100000000, 0.0000098400000000 ] - [ -0.0001490300000000, 0.0003584700000000, 0.0003979000000000 ] - [ -0.0000199800000000, -0.0000645900000000, -0.0000587800000000 ] - [ 0.0001702100000000, 0.0000082200000000, 0.0000267000000000 ] - [ 0.0000145500000000, -0.0000164800000000, -0.0000188200000000 ] - [ 0.0007236800000000, -0.0000683400000000, 0.0001274500000000 ] - [ -0.0007457900000000, 0.0032126800000000, -0.0031724100000000 ] - [ -0.0000167400000000, 0.0002344800000000, 0.0003149100000000 ] - [ -0.0004504500000000, -0.0001699600000000, 0.0001258500000000 ] - [ 0.0000000000000000, 0.0003963400000000, 0.0001162600000000 ] - [ 0.0000000000000000, 0.0001167500000000, -0.0001321300000000 ] - [ 0.0000000000000000, 0.0003919600000000, 0.0002772500000000 ] - [ 0.0000000000000000, 0.0001168200000000, -0.0000700400000000 ] - [ 0.0000199800000000, -0.0000645900000000, -0.0000587800000000 ] - [ 0.0001490300000000, 0.0003584700000000, 0.0003979000000000 ] - [ -0.0000145500000000, -0.0000164800000000, -0.0000188200000000 ] - [ -0.0001702100000000, 0.0000082200000000, 0.0000267000000000 ] - [ 0.0000000000000000, 0.0005992800000000, -0.0014387100000000 ] - [ 0.0000000000000000, 0.0001233500000000, 0.0001517500000000 ] - [ 0.0000000000000000, 0.0002112800000000, 0.0001492900000000 ] - [ 0.0000000000000000, 0.0001296500000000, -0.0000187800000000 ] - [ 0.0000000000000000, -0.0024340600000000, 0.0050116600000000 ] - [ 0.0000000000000000, -0.0002151900000000, -0.0001377700000000 ] - [ 0.0000000000000000, -0.0024638300000000, -0.0005269300000000 ] - [ 0.0000000000000000, -0.0002159400000000, -0.0000639200000000 ] - [ 0.0000867000000000, 0.0001813800000000, 0.0002044600000000 ] - [ -0.0018331000000000, 0.0012586100000000, -0.0005529700000000 ] - [ -0.0000367200000000, 0.0000445100000000, 0.0000098400000000 ] - [ 0.0004253300000000, 0.0000512900000000, 0.0001573500000000 ] - [ -0.0001862200000000, -0.0002077900000000, -0.0004704800000000 ] - [ 0.0133534500000000, 0.0347077400000000, 0.0035403600000000 ] - [ -0.0001148600000000, -0.0000970800000000, -0.0000539800000000 ] - [ 0.0000032400000000, 0.0000470300000000, -0.0000492300000000 ] - [ 0.0000000000000000, 0.0794593800000000, -0.0358035900000000 ] - [ 0.0000000000000000, -0.0000727700000000, 0.0001269700000000 ] - [ 0.0000000000000000, 0.0010140800000000, 0.0003018300000000 ] - [ 0.0000000000000000, -0.0000520800000000, -0.0000297200000000 ] - [ 0.0007457900000000, 0.0032126800000000, -0.0031724100000000 ] - [ -0.0007236800000000, -0.0000683400000000, 0.0001274500000000 ] - [ 0.0004504500000000, -0.0001699600000000, 0.0001258500000000 ] - [ 0.0000167400000000, 0.0002344800000000, 0.0003149100000000 ] - [ -0.0002534400000000, -0.0002600000000000, -0.0000274600000000 ] - [ 0.0000162200000000, 0.0000143000000000, -0.0002658200000000 ] - [ 0.0001462600000000, -0.0002604000000000, -0.0001855800000000 ] - [ 0.0001128700000000, 0.0000033800000000, 0.0001466600000000 ] - [ -0.0000162200000000, 0.0000143000000000, -0.0002658200000000 ] - [ 0.0002534400000000, -0.0002600000000000, -0.0000274600000000 ] - [ -0.0001128700000000, 0.0000033800000000, 0.0001466600000000 ] - [ -0.0001462600000000, -0.0002604000000000, -0.0001855800000000 ] - [ -0.0000866600000000, 0.0004347500000000, 0.0007158000000000 ] - [ 0.0003676700000000, -0.0001411900000000, -0.0003959600000000 ] - [ -0.0011581600000000, -0.0011679900000000, 0.0021870500000000 ] - [ -0.0017536200000000, 0.0003729800000000, -0.0007148200000000 ] - [ -0.0003676700000000, -0.0001411900000000, -0.0003959600000000 ] - [ 0.0000866600000000, 0.0004347500000000, 0.0007158000000000 ] - [ 0.0017536200000000, 0.0003729800000000, -0.0007148200000000 ] - [ 0.0011581600000000, -0.0011679900000000, 0.0021870500000000 ]- atom: 33 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0003542600000000, -0.0001459900000000, -0.0001856000000000 ] - [ 0.0003542600000000, -0.0001459900000000, -0.0001856000000000 ] - [ -0.0000650600000000, -0.0003494700000000, 0.0000046400000000 ] - [ 0.0000650600000000, -0.0003494700000000, 0.0000046400000000 ] - [ -0.0000810100000000, 0.0009430300000000, 0.0001611500000000 ] - [ 0.0000810100000000, 0.0009430300000000, 0.0001611500000000 ] - [ -0.0002012700000000, 0.0003352800000000, 0.0001618200000000 ] - [ 0.0002012700000000, 0.0003352800000000, 0.0001618200000000 ] - [ -0.0025494000000000, 0.0017914400000000, -0.0002046100000000 ] - [ 0.0025494000000000, 0.0017914400000000, -0.0002046100000000 ] - [ 0.0000805300000000, 0.0000120900000000, 0.0000988800000000 ] - [ -0.0000805300000000, 0.0000120900000000, 0.0000988800000000 ] - [ -0.0000930900000000, -0.0007846500000000, 0.0001209300000000 ] - [ 0.0000930900000000, -0.0007846500000000, 0.0001209300000000 ] - [ 0.0000036300000000, -0.0000243900000000, -0.0000325900000000 ] - [ -0.0000036300000000, -0.0000243900000000, -0.0000325900000000 ] - [ 0.0000767800000000, 0.0000740600000000, -0.0000394800000000 ] - [ 0.0000485400000000, -0.0000668800000000, -0.0001600400000000 ] - [ -0.0003810600000000, 0.0008032800000000, -0.0010545500000000 ] - [ -0.0000683000000000, 0.0000882300000000, 0.0000176700000000 ] - [ 0.0023458700000000, -0.0059785500000000, 0.0070327800000000 ] - [ -0.0000982300000000, -0.0007886200000000, -0.0005278100000000 ] - [ 0.0000524000000000, -0.0000466400000000, 0.0000574600000000 ] - [ -0.0000060600000000, -0.0000303400000000, -0.0000341500000000 ] - [ 0.0041687600000000, -0.0195848500000000, 0.0128060400000000 ] - [ -0.0003541000000000, -0.0001984100000000, -0.0030145800000000 ] - [ -0.0000028500000000, 0.0000438600000000, 0.0000503400000000 ] - [ 0.0000194300000000, 0.0000395000000000, -0.0000282500000000 ] - [ -0.0001022000000000, 0.0000464600000000, 0.0001015400000000 ] - [ 0.0004528100000000, -0.0046414600000000, 0.0019188300000000 ] - [ -0.0000818000000000, -0.0000858800000000, 0.0001212300000000 ] - [ -0.0003323900000000, -0.0001714700000000, -0.0001480900000000 ] - [ 0.0000000000000000, 0.2416093700000000, -0.0562419600000000 ] - [ 0.0000000000000000, 0.0006710000000000, -0.0002809700000000 ] - [ 0.0000000000000000, -0.0001189100000000, 0.0001180000000000 ] - [ 0.0000000000000000, -0.0000066900000000, 0.0000857400000000 ] - [ 0.0003541000000000, -0.0001984100000000, -0.0030145800000000 ] - [ -0.0041687600000000, -0.0195848500000000, 0.0128060400000000 ] - [ -0.0000194300000000, 0.0000395000000000, -0.0000282500000000 ] - [ 0.0000028500000000, 0.0000438600000000, 0.0000503400000000 ] - [ 0.0000000000000000, -0.0188550800000000, -0.0034009700000000 ] - [ 0.0000000000000000, 0.0013424400000000, -0.0001533700000000 ] - [ 0.0000000000000000, 0.0006962100000000, 0.0000628700000000 ] - [ 0.0000000000000000, 0.0003003800000000, 0.0001661000000000 ] - [ 0.0000000000000000, -0.0088182700000000, 0.0024042000000000 ] - [ 0.0000000000000000, -0.0001404200000000, 0.0005721700000000 ] - [ 0.0000000000000000, -0.0001078900000000, 0.0000977500000000 ] - [ 0.0000000000000000, -0.0000523500000000, 0.0000219200000000 ] - [ 0.0000982300000000, -0.0007886200000000, -0.0005278100000000 ] - [ -0.0023458700000000, -0.0059785500000000, 0.0070327800000000 ] - [ 0.0000060600000000, -0.0000303400000000, -0.0000341500000000 ] - [ -0.0000524000000000, -0.0000466400000000, 0.0000574600000000 ] - [ -0.0000485400000000, -0.0000668800000000, -0.0001600400000000 ] - [ -0.0000767800000000, 0.0000740600000000, -0.0000394800000000 ] - [ 0.0000683000000000, 0.0000882300000000, 0.0000176700000000 ] - [ 0.0003810600000000, 0.0008032800000000, -0.0010545500000000 ] - [ 0.0000000000000000, -0.0032182600000000, -0.0015276700000000 ] - [ 0.0000000000000000, -0.0007003200000000, -0.0008233900000000 ] - [ 0.0000000000000000, -0.0000998200000000, 0.0002186000000000 ] - [ 0.0000000000000000, -0.0001822300000000, 0.0000671400000000 ] - [ -0.0004528100000000, -0.0046414600000000, 0.0019188300000000 ] - [ 0.0001022000000000, 0.0000464600000000, 0.0001015400000000 ] - [ 0.0003323900000000, -0.0001714700000000, -0.0001480900000000 ] - [ 0.0000818000000000, -0.0000858800000000, 0.0001212300000000 ] - [ 0.0143918700000000, -0.0365849600000000, -0.0041781100000000 ] - [ -0.0002115000000000, 0.0002044100000000, 0.0005143900000000 ] - [ -0.0000217600000000, -0.0000469500000000, 0.0000977700000000 ] - [ -0.0001376600000000, 0.0000963500000000, 0.0001022900000000 ] - [ -0.0018307900000000, -0.0012761300000000, 0.0005376200000000 ] - [ 0.0000725900000000, -0.0002036500000000, -0.0002131300000000 ] - [ 0.0004152000000000, -0.0000750600000000, -0.0001744600000000 ] - [ -0.0000495100000000, -0.0000647800000000, -0.0000234400000000 ] - [ 0.0001386100000000, -0.0003273200000000, -0.0004153800000000 ] - [ 0.0000090500000000, 0.0000820000000000, 0.0000437900000000 ] - [ -0.0001819800000000, 0.0000118900000000, -0.0000424900000000 ] - [ -0.0000269100000000, 0.0000360800000000, 0.0000040400000000 ] - [ -0.0007934000000000, 0.0000648900000000, -0.0001033800000000 ] - [ 0.0006359800000000, -0.0031978700000000, 0.0032208800000000 ] - [ -0.0000545100000000, -0.0002309400000000, -0.0002834200000000 ] - [ 0.0003859000000000, 0.0001713200000000, -0.0000897400000000 ] - [ 0.0000000000000000, -0.0003216800000000, -0.0001063000000000 ] - [ 0.0000000000000000, -0.0000454400000000, 0.0001339700000000 ] - [ 0.0000000000000000, -0.0003259700000000, -0.0002627400000000 ] - [ 0.0000000000000000, -0.0000453400000000, 0.0000721000000000 ] - [ -0.0000090500000000, 0.0000820000000000, 0.0000437900000000 ] - [ -0.0001386100000000, -0.0003273200000000, -0.0004153800000000 ] - [ 0.0000269100000000, 0.0000360800000000, 0.0000040400000000 ] - [ 0.0001819800000000, 0.0000118900000000, -0.0000424900000000 ] - [ 0.0000000000000000, -0.0004923000000000, 0.0014439600000000 ] - [ 0.0000000000000000, -0.0000207500000000, -0.0001667400000000 ] - [ 0.0000000000000000, -0.0001136900000000, -0.0001688300000000 ] - [ 0.0000000000000000, -0.0000298700000000, 0.0000004300000000 ] - [ 0.0000000000000000, 0.0023893400000000, -0.0049874000000000 ] - [ 0.0000000000000000, 0.0001428700000000, 0.0001398300000000 ] - [ 0.0000000000000000, 0.0023595700000000, 0.0005241500000000 ] - [ 0.0000000000000000, 0.0001421200000000, 0.0000666400000000 ] - [ -0.0000725900000000, -0.0002036500000000, -0.0002131300000000 ] - [ 0.0018307900000000, -0.0012761300000000, 0.0005376200000000 ] - [ 0.0000495100000000, -0.0000647800000000, -0.0000234400000000 ] - [ -0.0004152000000000, -0.0000750600000000, -0.0001744600000000 ] - [ 0.0002115000000000, 0.0002044100000000, 0.0005143900000000 ] - [ -0.0143918700000000, -0.0365849600000000, -0.0041781100000000 ] - [ 0.0001376600000000, 0.0000963500000000, 0.0001022900000000 ] - [ 0.0000217600000000, -0.0000469500000000, 0.0000977700000000 ] - [ 0.0000000000000000, -0.0766324200000000, 0.0332811600000000 ] - [ 0.0000000000000000, -0.0000287700000000, -0.0001438800000000 ] - [ 0.0000000000000000, -0.0011178500000000, -0.0003135900000000 ] - [ 0.0000000000000000, -0.0000480100000000, 0.0000127000000000 ] - [ -0.0006359800000000, -0.0031978700000000, 0.0032208800000000 ] - [ 0.0007934000000000, 0.0000648900000000, -0.0001033800000000 ] - [ -0.0003859000000000, 0.0001713200000000, -0.0000897400000000 ] - [ 0.0000545100000000, -0.0002309400000000, -0.0002834200000000 ] - [ 0.0003073900000000, 0.0002592500000000, 0.0000039100000000 ] - [ 0.0000350700000000, -0.0000142100000000, 0.0002304600000000 ] - [ -0.0000989500000000, 0.0002549700000000, 0.0001555900000000 ] - [ -0.0000666200000000, -0.0000028300000000, -0.0001776700000000 ] - [ -0.0000350700000000, -0.0000142100000000, 0.0002304600000000 ] - [ -0.0003073900000000, 0.0002592500000000, 0.0000039100000000 ] - [ 0.0000666200000000, -0.0000028300000000, -0.0001776700000000 ] - [ 0.0000989500000000, 0.0002549700000000, 0.0001555900000000 ] - [ 0.0001318800000000, -0.0004299600000000, -0.0007532400000000 ] - [ -0.0003260700000000, 0.0001426700000000, 0.0003655200000000 ] - [ 0.0011772300000000, 0.0011506100000000, -0.0021889100000000 ] - [ 0.0017885000000000, -0.0003648900000000, 0.0006877900000000 ] - [ 0.0003260700000000, 0.0001426700000000, 0.0003655200000000 ] - [ -0.0001318800000000, -0.0004299600000000, -0.0007532400000000 ] - [ -0.0017885000000000, -0.0003648900000000, 0.0006877900000000 ] - [ -0.0011772300000000, 0.0011506100000000, -0.0021889100000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0001639600000000, 0.0001053000000000, 0.0001062800000000 ] - [ 0.0001639600000000, 0.0001053000000000, 0.0001062800000000 ] - [ -0.0000860600000000, -0.0001281100000000, 0.0000686500000000 ] - [ 0.0000860600000000, -0.0001281100000000, 0.0000686500000000 ] - [ 0.0010993700000000, 0.0011758400000000, 0.0006054900000000 ] - [ -0.0010993700000000, 0.0011758400000000, 0.0006054900000000 ] - [ -0.0000208100000000, 0.0001898400000000, 0.0000065900000000 ] - [ 0.0000208100000000, 0.0001898400000000, 0.0000065900000000 ] - [ -0.0027093300000000, 0.0004857600000000, 0.0003733000000000 ] - [ 0.0027093300000000, 0.0004857600000000, 0.0003733000000000 ] - [ 0.0000202300000000, -0.0001579700000000, 0.0000087400000000 ] - [ -0.0000202300000000, -0.0001579700000000, 0.0000087400000000 ] - [ -0.0004056400000000, -0.0003074800000000, 0.0005341800000000 ] - [ 0.0004056400000000, -0.0003074800000000, 0.0005341800000000 ] - [ -0.0000212400000000, 0.0001166100000000, -0.0000058900000000 ] - [ 0.0000212400000000, 0.0001166100000000, -0.0000058900000000 ] - [ -0.0000030600000000, -0.0000138300000000, -0.0003366300000000 ] - [ 0.0000396700000000, -0.0000415800000000, -0.0000548800000000 ] - [ 0.0005094000000000, -0.0006367000000000, 0.0008611400000000 ] - [ -0.0001097500000000, -0.0000366900000000, 0.0000451600000000 ] - [ 0.0008902400000000, -0.0045406200000000, -0.0013395300000000 ] - [ 0.0006648700000000, -0.0006710700000000, 0.0010663100000000 ] - [ -0.0000961100000000, 0.0000764800000000, -0.0000187500000000 ] - [ 0.0000768600000000, 0.0000075400000000, -0.0000159300000000 ] - [ 0.0137150300000000, -0.0135874100000000, 0.0181828800000000 ] - [ -0.0001611400000000, 0.0013704100000000, 0.0005753100000000 ] - [ -0.0001088500000000, -0.0001106600000000, 0.0000269800000000 ] - [ 0.0000788300000000, -0.0000212000000000, 0.0000185600000000 ] - [ -0.0000370300000000, 0.0000904600000000, 0.0000811800000000 ] - [ 0.0013591100000000, 0.0018818000000000, -0.0023161000000000 ] - [ -0.0000582500000000, 0.0000050500000000, -0.0000010300000000 ] - [ 0.0001375800000000, -0.0000260300000000, 0.0001612300000000 ] - [ 0.0000000000000000, 0.0580781800000000, -0.2051247800000000 ] - [ 0.0000000000000000, 0.0003186300000000, -0.0006407500000000 ] - [ 0.0000000000000000, -0.0000808000000000, -0.0000615200000000 ] - [ 0.0000000000000000, -0.0000498400000000, 0.0001738900000000 ] - [ 0.0001611400000000, 0.0013704100000000, 0.0005753100000000 ] - [ -0.0137150300000000, -0.0135874100000000, 0.0181828800000000 ] - [ -0.0000788300000000, -0.0000212000000000, 0.0000185600000000 ] - [ 0.0001088500000000, -0.0001106600000000, 0.0000269800000000 ] - [ 0.0000000000000000, -0.0031790700000000, 0.0515748000000000 ] - [ 0.0000000000000000, -0.0002959000000000, 0.0006663200000000 ] - [ 0.0000000000000000, 0.0000762300000000, -0.0001996900000000 ] - [ 0.0000000000000000, 0.0002152100000000, 0.0003783300000000 ] - [ 0.0000000000000000, 0.0023746900000000, 0.0000789100000000 ] - [ 0.0000000000000000, 0.0005319300000000, -0.0006509400000000 ] - [ 0.0000000000000000, 0.0000607200000000, -0.0002330000000000 ] - [ 0.0000000000000000, -0.0000143500000000, 0.0001140200000000 ] - [ -0.0006648700000000, -0.0006710700000000, 0.0010663100000000 ] - [ -0.0008902400000000, -0.0045406200000000, -0.0013395300000000 ] - [ -0.0000768600000000, 0.0000075400000000, -0.0000159300000000 ] - [ 0.0000961100000000, 0.0000764800000000, -0.0000187500000000 ] - [ -0.0000396700000000, -0.0000415800000000, -0.0000548800000000 ] - [ 0.0000030600000000, -0.0000138300000000, -0.0003366300000000 ] - [ 0.0001097500000000, -0.0000366900000000, 0.0000451600000000 ] - [ -0.0005094000000000, -0.0006367000000000, 0.0008611400000000 ] - [ 0.0000000000000000, 0.0012801000000000, 0.0030835400000000 ] - [ 0.0000000000000000, 0.0008275500000000, 0.0000857300000000 ] - [ 0.0000000000000000, -0.0002294100000000, -0.0003656900000000 ] - [ 0.0000000000000000, -0.0001117400000000, 0.0000112600000000 ] - [ -0.0013591100000000, 0.0018818000000000, -0.0023161000000000 ] - [ 0.0000370300000000, 0.0000904600000000, 0.0000811800000000 ] - [ -0.0001375800000000, -0.0000260300000000, 0.0001612300000000 ] - [ 0.0000582500000000, 0.0000050500000000, -0.0000010300000000 ] - [ -0.0086455400000000, 0.0043828000000000, 0.0184039300000000 ] - [ 0.0003024600000000, 0.0007405100000000, -0.0003273000000000 ] - [ 0.0001728600000000, 0.0001143300000000, 0.0000475800000000 ] - [ -0.0000500600000000, 0.0000674000000000, -0.0000532600000000 ] - [ -0.0000904300000000, -0.0020091700000000, 0.0023560000000000 ] - [ 0.0001286400000000, 0.0000317000000000, -0.0000715100000000 ] - [ -0.0000558500000000, -0.0004424900000000, -0.0000113300000000 ] - [ -0.0000365200000000, -0.0000569500000000, -0.0000201100000000 ] - [ -0.0001852600000000, 0.0011484900000000, 0.0004655000000000 ] - [ 0.0001432100000000, 0.0001313400000000, -0.0001638200000000 ] - [ -0.0001001000000000, -0.0001814900000000, -0.0001049400000000 ] - [ 0.0000108500000000, -0.0000119100000000, -0.0000412700000000 ] - [ -0.0003750500000000, 0.0000030600000000, 0.0002897600000000 ] - [ -0.0049728500000000, -0.0057083400000000, 0.0054362100000000 ] - [ -0.0000507500000000, -0.0008844900000000, -0.0002219600000000 ] - [ -0.0000613800000000, -0.0002976600000000, -0.0002679800000000 ] - [ 0.0000000000000000, 0.0003033700000000, 0.0006360000000000 ] - [ 0.0000000000000000, -0.0000352400000000, -0.0000233800000000 ] - [ 0.0000000000000000, 0.0001452300000000, 0.0006368600000000 ] - [ 0.0000000000000000, -0.0000972100000000, -0.0000228000000000 ] - [ -0.0001432100000000, 0.0001313400000000, -0.0001638200000000 ] - [ 0.0001852600000000, 0.0011484900000000, 0.0004655000000000 ] - [ -0.0000108500000000, -0.0000119100000000, -0.0000412700000000 ] - [ 0.0001001000000000, -0.0001814900000000, -0.0001049400000000 ] - [ 0.0000000000000000, 0.0013751300000000, -0.0010264400000000 ] - [ 0.0000000000000000, -0.0001377200000000, -0.0000776200000000 ] - [ 0.0000000000000000, -0.0001248900000000, -0.0000816400000000 ] - [ 0.0000000000000000, 0.0000660700000000, -0.0000080400000000 ] - [ 0.0000000000000000, 0.0004852200000000, 0.0028788100000000 ] - [ 0.0000000000000000, 0.0000288600000000, -0.0000079200000000 ] - [ 0.0000000000000000, -0.0050157800000000, 0.0028169100000000 ] - [ 0.0000000000000000, 0.0001018300000000, -0.0000064300000000 ] - [ -0.0001286400000000, 0.0000317000000000, -0.0000715100000000 ] - [ 0.0000904300000000, -0.0020091700000000, 0.0023560000000000 ] - [ 0.0000365200000000, -0.0000569500000000, -0.0000201100000000 ] - [ 0.0000558500000000, -0.0004424900000000, -0.0000113300000000 ] - [ -0.0003024600000000, 0.0007405100000000, -0.0003273000000000 ] - [ 0.0086455400000000, 0.0043828000000000, 0.0184039300000000 ] - [ 0.0000500600000000, 0.0000674000000000, -0.0000532600000000 ] - [ -0.0001728600000000, 0.0001143300000000, 0.0000475800000000 ] - [ 0.0000000000000000, -0.0338262300000000, 0.0508902600000000 ] - [ 0.0000000000000000, 0.0000758500000000, 0.0000106900000000 ] - [ 0.0000000000000000, 0.0002553600000000, 0.0003634800000000 ] - [ 0.0000000000000000, -0.0000844900000000, 0.0001007600000000 ] - [ 0.0049728500000000, -0.0057083400000000, 0.0054362100000000 ] - [ 0.0003750500000000, 0.0000030600000000, 0.0002897600000000 ] - [ 0.0000613800000000, -0.0002976600000000, -0.0002679800000000 ] - [ 0.0000507500000000, -0.0008844900000000, -0.0002219600000000 ] - [ -0.0003298600000000, 0.0000011300000000, -0.0001574100000000 ] - [ -0.0000952000000000, -0.0000913600000000, 0.0000508800000000 ] - [ 0.0000339800000000, -0.0002549000000000, -0.0002100200000000 ] - [ 0.0000999900000000, -0.0000073300000000, 0.0000781100000000 ] - [ 0.0000952000000000, -0.0000913600000000, 0.0000508800000000 ] - [ 0.0003298600000000, 0.0000011300000000, -0.0001574100000000 ] - [ -0.0000999900000000, -0.0000073300000000, 0.0000781100000000 ] - [ -0.0000339800000000, -0.0002549000000000, -0.0002100200000000 ] - [ -0.0008831800000000, -0.0010195500000000, 0.0004091400000000 ] - [ -0.0000275500000000, 0.0001860500000000, 0.0000521200000000 ] - [ -0.0037824900000000, 0.0075025900000000, 0.0019752900000000 ] - [ -0.0005900700000000, -0.0002282500000000, 0.0004681800000000 ] - [ 0.0000275500000000, 0.0001860500000000, 0.0000521200000000 ] - [ 0.0008831800000000, -0.0010195500000000, 0.0004091400000000 ] - [ 0.0005900700000000, -0.0002282500000000, 0.0004681800000000 ] - [ 0.0037824900000000, 0.0075025900000000, 0.0019752900000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0001651200000000, -0.0002319800000000, -0.0001031100000000 ] - [ -0.0001651200000000, -0.0002319800000000, -0.0001031100000000 ] - [ 0.0000879900000000, 0.0000028300000000, -0.0000667000000000 ] - [ -0.0000879900000000, 0.0000028300000000, -0.0000667000000000 ] - [ -0.0010974100000000, -0.0010434600000000, -0.0006099000000000 ] - [ 0.0010974100000000, -0.0010434600000000, -0.0006099000000000 ] - [ 0.0000228700000000, -0.0000585700000000, -0.0000076200000000 ] - [ -0.0000228700000000, -0.0000585700000000, -0.0000076200000000 ] - [ 0.0027293300000000, -0.0006112100000000, -0.0003470100000000 ] - [ -0.0027293300000000, -0.0006112100000000, -0.0003470100000000 ] - [ -0.0000205900000000, 0.0000270200000000, -0.0000087000000000 ] - [ 0.0000205900000000, 0.0000270200000000, -0.0000087000000000 ] - [ 0.0004046000000000, 0.0004532900000000, -0.0005374600000000 ] - [ -0.0004046000000000, 0.0004532900000000, -0.0005374600000000 ] - [ 0.0000221300000000, 0.0000177100000000, 0.0000038300000000 ] - [ -0.0000221300000000, 0.0000177100000000, 0.0000038300000000 ] - [ -0.0000244200000000, 0.0000117800000000, 0.0003800500000000 ] - [ -0.0000640600000000, 0.0000400800000000, 0.0001054600000000 ] - [ -0.0005280300000000, 0.0006478900000000, -0.0008283300000000 ] - [ 0.0000868900000000, 0.0000357400000000, 0.0000039200000000 ] - [ -0.0008826600000000, 0.0045584900000000, 0.0013362900000000 ] - [ -0.0006645800000000, 0.0006605200000000, -0.0010810000000000 ] - [ 0.0000834100000000, -0.0000979100000000, 0.0000081400000000 ] - [ -0.0000915200000000, -0.0000305000000000, 0.0000017200000000 ] - [ -0.0132263600000000, 0.0133064400000000, -0.0179077100000000 ] - [ 0.0001570200000000, -0.0013410400000000, -0.0005825500000000 ] - [ 0.0000969900000000, 0.0001330000000000, -0.0000413000000000 ] - [ -0.0000916900000000, 0.0000420300000000, -0.0000326100000000 ] - [ -0.0000307900000000, -0.0000906100000000, -0.0000562700000000 ] - [ -0.0014428500000000, -0.0019018800000000, 0.0023616200000000 ] - [ -0.0000081300000000, -0.0000060100000000, 0.0000256000000000 ] - [ -0.0001997800000000, 0.0000263500000000, -0.0001324500000000 ] - [ 0.0000000000000000, -0.0585138200000000, 0.2011522100000000 ] - [ 0.0000000000000000, -0.0002490400000000, 0.0006447900000000 ] - [ 0.0000000000000000, 0.0001514300000000, 0.0000648300000000 ] - [ 0.0000000000000000, 0.0001181800000000, -0.0001696900000000 ] - [ -0.0001570200000000, -0.0013410400000000, -0.0005825500000000 ] - [ 0.0132263600000000, 0.0133064400000000, -0.0179077100000000 ] - [ 0.0000916900000000, 0.0000420300000000, -0.0000326100000000 ] - [ -0.0000969900000000, 0.0001330000000000, -0.0000413000000000 ] - [ 0.0000000000000000, 0.0030911600000000, -0.0480163400000000 ] - [ 0.0000000000000000, 0.0003933500000000, -0.0006861900000000 ] - [ 0.0000000000000000, 0.0000153400000000, 0.0001749200000000 ] - [ 0.0000000000000000, -0.0001150700000000, -0.0003970600000000 ] - [ 0.0000000000000000, -0.0024143800000000, -0.0001074600000000 ] - [ 0.0000000000000000, -0.0006017400000000, 0.0006490100000000 ] - [ 0.0000000000000000, -0.0001297900000000, 0.0002357500000000 ] - [ 0.0000000000000000, -0.0000544300000000, -0.0001106200000000 ] - [ 0.0006645800000000, 0.0006605200000000, -0.0010810000000000 ] - [ 0.0008826600000000, 0.0045584900000000, 0.0013362900000000 ] - [ 0.0000915200000000, -0.0000305000000000, 0.0000017200000000 ] - [ -0.0000834100000000, -0.0000979100000000, 0.0000081400000000 ] - [ 0.0000640600000000, 0.0000400800000000, 0.0001054600000000 ] - [ 0.0000244200000000, 0.0000117800000000, 0.0003800500000000 ] - [ -0.0000868900000000, 0.0000357400000000, 0.0000039200000000 ] - [ 0.0005280300000000, 0.0006478900000000, -0.0008283300000000 ] - [ 0.0000000000000000, -0.0013589100000000, -0.0031048900000000 ] - [ 0.0000000000000000, -0.0009234800000000, -0.0001007900000000 ] - [ 0.0000000000000000, 0.0001289800000000, 0.0003426400000000 ] - [ 0.0000000000000000, 0.0000119900000000, -0.0000305300000000 ] - [ 0.0014428500000000, -0.0019018800000000, 0.0023616200000000 ] - [ 0.0000307900000000, -0.0000906100000000, -0.0000562700000000 ] - [ 0.0001997800000000, 0.0000263500000000, -0.0001324500000000 ] - [ 0.0000081300000000, -0.0000060100000000, 0.0000256000000000 ] - [ 0.0087352400000000, -0.0044458300000000, -0.0182918200000000 ] - [ -0.0003185000000000, -0.0007391300000000, 0.0003650500000000 ] - [ -0.0001977500000000, -0.0001111000000000, -0.0000006500000000 ] - [ 0.0000272900000000, -0.0000666400000000, 0.0000994900000000 ] - [ 0.0000845000000000, 0.0020161800000000, -0.0023814800000000 ] - [ -0.0001436600000000, -0.0000566100000000, 0.0000589400000000 ] - [ 0.0000416700000000, 0.0004140200000000, -0.0000055900000000 ] - [ 0.0000244500000000, 0.0000365100000000, 0.0000067400000000 ] - [ 0.0001759100000000, -0.0011294700000000, -0.0004831900000000 ] - [ -0.0001546500000000, -0.0001124700000000, 0.0001479500000000 ] - [ 0.0000897500000000, 0.0001998600000000, 0.0000881000000000 ] - [ -0.0000227500000000, 0.0000318900000000, 0.0000259600000000 ] - [ 0.0003097400000000, -0.0000073300000000, -0.0002575400000000 ] - [ 0.0048500900000000, 0.0056012900000000, -0.0052534300000000 ] - [ -0.0000207400000000, 0.0008833500000000, 0.0002518100000000 ] - [ -0.0000057000000000, 0.0002906400000000, 0.0002889200000000 ] - [ 0.0000000000000000, -0.0002385500000000, -0.0006374900000000 ] - [ 0.0000000000000000, 0.0001049800000000, 0.0000249900000000 ] - [ 0.0000000000000000, -0.0000791900000000, -0.0006366100000000 ] - [ 0.0000000000000000, 0.0001669800000000, 0.0000255100000000 ] - [ 0.0001546500000000, -0.0001124700000000, 0.0001479500000000 ] - [ -0.0001759100000000, -0.0011294700000000, -0.0004831900000000 ] - [ 0.0000227500000000, 0.0000318900000000, 0.0000259600000000 ] - [ -0.0000897500000000, 0.0001998600000000, 0.0000881000000000 ] - [ 0.0000000000000000, -0.0012785600000000, 0.0009962100000000 ] - [ 0.0000000000000000, 0.0002367400000000, 0.0000608100000000 ] - [ 0.0000000000000000, 0.0002253100000000, 0.0000619000000000 ] - [ 0.0000000000000000, 0.0000335200000000, -0.0000101800000000 ] - [ 0.0000000000000000, -0.0005641400000000, -0.0028016800000000 ] - [ 0.0000000000000000, -0.0000997700000000, 0.0000090600000000 ] - [ 0.0000000000000000, 0.0049851800000000, -0.0028638300000000 ] - [ 0.0000000000000000, -0.0001739900000000, 0.0000102300000000 ] - [ 0.0001436600000000, -0.0000566100000000, 0.0000589400000000 ] - [ -0.0000845000000000, 0.0020161800000000, -0.0023814800000000 ] - [ -0.0000244500000000, 0.0000365100000000, 0.0000067400000000 ] - [ -0.0000416700000000, 0.0004140200000000, -0.0000055900000000 ] - [ 0.0003185000000000, -0.0007391300000000, 0.0003650500000000 ] - [ -0.0087352400000000, -0.0044458300000000, -0.0182918200000000 ] - [ -0.0000272900000000, -0.0000666400000000, 0.0000994900000000 ] - [ 0.0001977500000000, -0.0001111000000000, -0.0000006500000000 ] - [ 0.0000000000000000, 0.0352027200000000, -0.0514656900000000 ] - [ 0.0000000000000000, -0.0001768500000000, -0.0000270800000000 ] - [ 0.0000000000000000, -0.0003448500000000, -0.0003670500000000 ] - [ 0.0000000000000000, -0.0000156600000000, -0.0001171700000000 ] - [ -0.0048500900000000, 0.0056012900000000, -0.0052534300000000 ] - [ -0.0003097400000000, -0.0000073300000000, -0.0002575400000000 ] - [ 0.0000057000000000, 0.0002906400000000, 0.0002889200000000 ] - [ 0.0000207400000000, 0.0008833500000000, 0.0002518100000000 ] - [ 0.0003802300000000, 0.0000017900000000, 0.0001235200000000 ] - [ 0.0001443100000000, 0.0000927200000000, -0.0000844200000000 ] - [ 0.0000111700000000, 0.0002555400000000, 0.0001802500000000 ] - [ -0.0000549900000000, 0.0000064500000000, -0.0001093100000000 ] - [ -0.0001443100000000, 0.0000927200000000, -0.0000844200000000 ] - [ -0.0003802300000000, 0.0000017900000000, 0.0001235200000000 ] - [ 0.0000549900000000, 0.0000064500000000, -0.0001093100000000 ] - [ -0.0000111700000000, 0.0002555400000000, 0.0001802500000000 ] - [ 0.0009224600000000, 0.0010017300000000, -0.0004464600000000 ] - [ 0.0000659400000000, -0.0001816000000000, -0.0000793600000000 ] - [ 0.0038476500000000, -0.0075458800000000, -0.0020372600000000 ] - [ 0.0006057200000000, 0.0002472900000000, -0.0004913300000000 ] - [ -0.0000659400000000, -0.0001816000000000, -0.0000793600000000 ] - [ -0.0009224600000000, 0.0010017300000000, -0.0004464600000000 ] - [ -0.0006057200000000, 0.0002472900000000, -0.0004913300000000 ] - [ -0.0038476500000000, -0.0075458800000000, -0.0020372600000000 ]- atom: 41 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0001486800000000, -0.0002839200000000, 0.0000148800000000 ] - [ -0.0001505200000000, 0.0001577400000000, -0.0000101800000000 ] - [ 0.0000114600000000, -0.0000778800000000, 0.0000053900000000 ] - [ 0.0000111000000000, -0.0000528900000000, -0.0000030600000000 ] - [ 0.0009422400000000, 0.0006874600000000, -0.0000607700000000 ] - [ 0.0008328000000000, -0.0005032200000000, 0.0000484700000000 ] - [ 0.0000027300000000, 0.0000797100000000, 0.0000147600000000 ] - [ 0.0000026000000000, 0.0000563300000000, -0.0000119200000000 ] - [ 0.0003884000000000, -0.0001178700000000, -0.0005970900000000 ] - [ 0.0003871200000000, -0.0000117700000000, 0.0006061600000000 ] - [ -0.0000051400000000, 0.0000046200000000, 0.0001470400000000 ] - [ -0.0000063900000000, -0.0001354300000000, -0.0001433400000000 ] - [ -0.0001791000000000, 0.0001695100000000, -0.0000067700000000 ] - [ -0.0001819600000000, -0.0000352100000000, 0.0000077400000000 ] - [ 0.0000221900000000, 0.0000758900000000, -0.0001077700000000 ] - [ 0.0000210800000000, 0.0000587400000000, 0.0001099600000000 ] - [ 0.0005502800000000, 0.0024677200000000, 0.0030593200000000 ] - [ 0.0000802100000000, 0.0000402400000000, 0.0000351100000000 ] - [ 0.0001696800000000, 0.0001689900000000, 0.0000210600000000 ] - [ -0.0000366300000000, 0.0000248700000000, 0.0000256200000000 ] - [ 0.0027019000000000, -0.0073690300000000, -0.0018993100000000 ] - [ 0.0005050200000000, 0.0006727800000000, 0.0004733100000000 ] - [ 0.0000704800000000, -0.0001382400000000, -0.0000286200000000 ] - [ 0.0000224000000000, -0.0000171500000000, -0.0000119600000000 ] - [ 0.0395768800000000, -0.0052419400000000, -0.0125245800000000 ] - [ 0.0003261400000000, 0.0022008800000000, 0.0028677400000000 ] - [ 0.0000917800000000, 0.0000319400000000, 0.0000076000000000 ] - [ 0.0000751200000000, 0.0000620000000000, 0.0000246000000000 ] - [ -0.0000610400000000, 0.0000675100000000, 0.0000346000000000 ] - [ -0.0001126200000000, 0.0002725200000000, -0.0000167500000000 ] - [ -0.0001361000000000, -0.0000000900000000, 0.0000628600000000 ] - [ 0.0012958200000000, -0.0011794900000000, 0.0003260300000000 ] - [ 0.0022186000000000, -0.0000008700000000, 0.0001584500000000 ] - [ -0.0000409300000000, 0.0000239500000000, 0.0000004600000000 ] - [ 0.0000746900000000, 0.0000332800000000, 0.0000003000000000 ] - [ 0.0002009900000000, 0.0000345600000000, 0.0000016200000000 ] - [ 0.0004237100000000, -0.0022435500000000, -0.0029749200000000 ] - [ 0.0378368800000000, 0.0044478100000000, 0.0112848400000000 ] - [ 0.0000860700000000, -0.0000443800000000, -0.0000398200000000 ] - [ 0.0001027800000000, -0.0000126500000000, -0.0000229700000000 ] - [ -0.1634602500000000, 0.0016851300000000, 0.0011053000000000 ] - [ 0.0002180900000000, 0.0000530000000000, -0.0000098800000000 ] - [ -0.0000105000000000, 0.0000495500000000, -0.0000094300000000 ] - [ 0.0001497000000000, 0.0000492800000000, -0.0000088600000000 ] - [ 0.0049931300000000, -0.0000279100000000, 0.0000063600000000 ] - [ 0.0015992400000000, -0.0000343500000000, -0.0000041100000000 ] - [ -0.0006647000000000, -0.0000340300000000, 0.0000019800000000 ] - [ -0.0001094100000000, -0.0000340900000000, 0.0000015600000000 ] - [ 0.0005049600000000, -0.0006752800000000, -0.0004865800000000 ] - [ 0.0026771000000000, 0.0072878400000000, 0.0018952800000000 ] - [ 0.0000345500000000, -0.0000020600000000, -0.0000035100000000 ] - [ 0.0000805600000000, 0.0001194700000000, 0.0000132000000000 ] - [ 0.0001032800000000, -0.0000391100000000, 0.0000149700000000 ] - [ 0.0005863300000000, -0.0024546500000000, -0.0030141700000000 ] - [ -0.0000141800000000, -0.0000250100000000, 0.0000245100000000 ] - [ 0.0001923300000000, -0.0001696200000000, 0.0000295100000000 ] - [ -0.0025387800000000, -0.0000323500000000, -0.0000093700000000 ] - [ 0.0001959200000000, -0.0000535000000000, -0.0000052300000000 ] - [ -0.0000711000000000, -0.0000494700000000, -0.0000096600000000 ] - [ -0.0000307600000000, -0.0000492200000000, -0.0000091000000000 ] - [ -0.0000445000000000, -0.0002729500000000, 0.0000422400000000 ] - [ 0.0000071900000000, -0.0000685200000000, -0.0000098000000000 ] - [ 0.0013642800000000, 0.0011824000000000, -0.0002946000000000 ] - [ -0.0000671300000000, -0.0000010600000000, -0.0000369800000000 ] - [ -0.0024315800000000, -0.0009579600000000, -0.0052501100000000 ] - [ 0.0000784300000000, 0.0002878400000000, -0.0005439600000000 ] - [ -0.0001022400000000, -0.0001018200000000, -0.0002819700000000 ] - [ 0.0000382800000000, -0.0004865800000000, 0.0000039600000000 ] - [ -0.0001019900000000, 0.0001681100000000, -0.0003274200000000 ] - [ 0.0000019500000000, -0.0000214700000000, -0.0000169000000000 ] - [ -0.0017679900000000, 0.0058181500000000, 0.0031005700000000 ] - [ -0.0003216200000000, 0.0004112900000000, 0.0003269800000000 ] - [ 0.0000316900000000, -0.0001738600000000, -0.0001207800000000 ] - [ 0.0000364000000000, -0.0000149300000000, -0.0000076600000000 ] - [ 0.0001910100000000, 0.0009834200000000, 0.0013236100000000 ] - [ -0.0001459300000000, -0.0002617400000000, 0.0000087300000000 ] - [ -0.0004729300000000, 0.0003276300000000, 0.0000847100000000 ] - [ 0.0150634100000000, 0.0172717200000000, -0.0084131500000000 ] - [ -0.0001459000000000, 0.0001668100000000, 0.0001406500000000 ] - [ -0.0003443100000000, 0.0000051600000000, -0.0000694600000000 ] - [ 0.0029648100000000, 0.0000392900000000, 0.0000052300000000 ] - [ 0.0001056900000000, 0.0000335500000000, 0.0000000300000000 ] - [ 0.0000096000000000, 0.0000342200000000, 0.0000005400000000 ] - [ -0.0000348300000000, 0.0000336700000000, 0.0000011300000000 ] - [ 0.0000474800000000, 0.0000330200000000, -0.0000084700000000 ] - [ 0.0000415900000000, 0.0001939500000000, 0.0001051400000000 ] - [ -0.0001363500000000, 0.0002773700000000, -0.0000241100000000 ] - [ 0.0002038400000000, -0.0009603400000000, -0.0013378100000000 ] - [ 0.0003067300000000, 0.0000477600000000, -0.0000102300000000 ] - [ 0.0001043700000000, 0.0000489200000000, -0.0000085400000000 ] - [ 0.0003065800000000, 0.0000497900000000, -0.0000091000000000 ] - [ 0.0001044500000000, 0.0000489300000000, -0.0000091000000000 ] - [ 0.0308194600000000, -0.0002197800000000, -0.0001314700000000 ] - [ 0.0005687500000000, -0.0000336000000000, 0.0000030600000000 ] - [ 0.0002507300000000, -0.0000340800000000, 0.0000017800000000 ] - [ 0.0000535400000000, -0.0000334200000000, 0.0000015300000000 ] - [ 0.0000128100000000, 0.0000029700000000, 0.0000014000000000 ] - [ -0.0000907800000000, -0.0001850800000000, 0.0003130500000000 ] - [ -0.0003094100000000, -0.0004324400000000, -0.0003456200000000 ] - [ -0.0017643500000000, -0.0058345300000000, -0.0031029300000000 ] - [ 0.0001254700000000, -0.0002935100000000, 0.0005909200000000 ] - [ -0.0023883600000000, 0.0009675900000000, 0.0052620100000000 ] - [ 0.0000593600000000, 0.0004859500000000, 0.0000436000000000 ] - [ -0.0000755000000000, 0.0001033300000000, 0.0003288900000000 ] - [ 0.0013752800000000, -0.0000539400000000, 0.0000041100000000 ] - [ 0.0000479700000000, -0.0000498000000000, -0.0000089600000000 ] - [ 0.0013751200000000, -0.0000429700000000, -0.0000097000000000 ] - [ 0.0000479200000000, -0.0000491800000000, -0.0000092600000000 ] - [ 0.0152319300000000, -0.0178702300000000, 0.0085885100000000 ] - [ -0.0003889800000000, -0.0003195500000000, -0.0000627000000000 ] - [ -0.0002805100000000, -0.0000026700000000, 0.0000930500000000 ] - [ -0.0000752000000000, -0.0001691700000000, -0.0001141400000000 ] - [ 0.0000711000000000, -0.0003655200000000, 0.0004910300000000 ] - [ 0.0000774900000000, 0.0000366400000000, 0.0001447900000000 ] - [ -0.0002817100000000, 0.0002140000000000, 0.0000750600000000 ] - [ 0.0000985300000000, 0.0000718200000000, -0.0000113400000000 ] - [ 0.0000253200000000, -0.0000377100000000, -0.0001757400000000 ] - [ 0.0000180300000000, 0.0003652500000000, -0.0005219400000000 ] - [ 0.0000468300000000, -0.0000719500000000, -0.0000203900000000 ] - [ -0.0003321700000000, -0.0002141600000000, -0.0001064700000000 ] - [ 0.0032904400000000, -0.0043164900000000, 0.0014462700000000 ] - [ -0.0004726600000000, 0.0000852600000000, -0.0002159600000000 ] - [ 0.0014092500000000, -0.0011948000000000, 0.0013362300000000 ] - [ 0.0000563800000000, -0.0001999000000000, 0.0003618600000000 ] - [ -0.0005144900000000, -0.0000777900000000, 0.0001860100000000 ] - [ 0.0032431500000000, 0.0042943100000000, -0.0014569200000000 ] - [ 0.0000082500000000, 0.0001984200000000, -0.0003909500000000 ] - [ 0.0013629600000000, 0.0011977900000000, -0.0013528100000000 ]- atom: 41 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000154000000000, 0.0005667700000000, 0.0002828400000000 ] - [ 0.0000154000000000, 0.0005667700000000, 0.0002828400000000 ] - [ -0.0000096300000000, 0.0000462300000000, 0.0000232400000000 ] - [ 0.0000096300000000, 0.0000462300000000, 0.0000232400000000 ] - [ 0.0027005200000000, -0.0002405300000000, -0.0007227500000000 ] - [ -0.0027005200000000, -0.0002405300000000, -0.0007227500000000 ] - [ -0.0000422600000000, -0.0000548100000000, 0.0001096100000000 ] - [ 0.0000422600000000, -0.0000548100000000, 0.0001096100000000 ] - [ 0.0002785400000000, -0.0005574500000000, 0.0000940200000000 ] - [ -0.0002785400000000, -0.0005574500000000, 0.0000940200000000 ] - [ 0.0004124200000000, -0.0005441100000000, 0.0002929100000000 ] - [ -0.0004124200000000, -0.0005441100000000, 0.0002929100000000 ] - [ 0.0002335400000000, 0.0002364800000000, -0.0001052900000000 ] - [ -0.0002335400000000, 0.0002364800000000, -0.0001052900000000 ] - [ 0.0000249700000000, 0.0004687000000000, -0.0001038700000000 ] - [ -0.0000249700000000, 0.0004687000000000, -0.0001038700000000 ] - [ 0.0004782600000000, 0.0046031100000000, 0.0018279900000000 ] - [ -0.0000840200000000, -0.0000363200000000, 0.0000962600000000 ] - [ -0.0003117700000000, 0.0001848800000000, -0.0001502700000000 ] - [ -0.0000562600000000, 0.0000805600000000, 0.0001278300000000 ] - [ -0.0025789700000000, 0.0058292300000000, 0.0068538500000000 ] - [ 0.0000662900000000, 0.0007316100000000, -0.0004144300000000 ] - [ -0.0000620100000000, 0.0000142400000000, 0.0000488400000000 ] - [ -0.0000061500000000, -0.0000016500000000, -0.0000414500000000 ] - [ -0.0047802700000000, 0.0208841500000000, 0.0123732000000000 ] - [ 0.0004395600000000, 0.0000768900000000, -0.0028796600000000 ] - [ -0.0000090600000000, -0.0000007100000000, 0.0000396800000000 ] - [ -0.0000383200000000, -0.0000028500000000, -0.0000392000000000 ] - [ 0.0000384300000000, 0.0000667300000000, -0.0001861700000000 ] - [ 0.0000678900000000, -0.0000930600000000, -0.0000754900000000 ] - [ -0.0000969700000000, -0.0000864200000000, 0.0000380100000000 ] - [ -0.0004353200000000, -0.0006856500000000, -0.0009422500000000 ] - [ 0.0000000000000000, 0.0190201700000000, -0.0029754300000000 ] - [ 0.0000000000000000, -0.0012472400000000, -0.0003436700000000 ] - [ 0.0000000000000000, -0.0006099400000000, 0.0000294500000000 ] - [ 0.0000000000000000, -0.0002168500000000, 0.0001674700000000 ] - [ -0.0004395600000000, 0.0000768900000000, -0.0028796600000000 ] - [ 0.0047802700000000, 0.0208841500000000, 0.0123732000000000 ] - [ 0.0000383200000000, -0.0000028500000000, -0.0000392000000000 ] - [ 0.0000090600000000, -0.0000007100000000, 0.0000396800000000 ] - [ 0.0000000000000000, -0.2475221600000000, -0.0586510800000000 ] - [ 0.0000000000000000, -0.0006138800000000, -0.0001743600000000 ] - [ 0.0000000000000000, 0.0001889800000000, 0.0001161400000000 ] - [ 0.0000000000000000, 0.0000996700000000, 0.0000721300000000 ] - [ 0.0000000000000000, 0.0031512100000000, -0.0013035800000000 ] - [ 0.0000000000000000, 0.0006091500000000, -0.0008733200000000 ] - [ 0.0000000000000000, 0.0000170500000000, 0.0001816900000000 ] - [ 0.0000000000000000, 0.0000976800000000, 0.0000640000000000 ] - [ -0.0000662900000000, 0.0007316100000000, -0.0004144300000000 ] - [ 0.0025789700000000, 0.0058292300000000, 0.0068538500000000 ] - [ 0.0000061500000000, -0.0000016500000000, -0.0000414500000000 ] - [ 0.0000620100000000, 0.0000142400000000, 0.0000488400000000 ] - [ 0.0000840200000000, -0.0000363200000000, 0.0000962600000000 ] - [ -0.0004782600000000, 0.0046031100000000, 0.0018279900000000 ] - [ 0.0000562600000000, 0.0000805600000000, 0.0001278300000000 ] - [ 0.0003117700000000, 0.0001848800000000, -0.0001502700000000 ] - [ 0.0000000000000000, 0.0075708900000000, 0.0016471400000000 ] - [ 0.0000000000000000, 0.0001633900000000, 0.0006310600000000 ] - [ 0.0000000000000000, 0.0000276100000000, 0.0000860400000000 ] - [ 0.0000000000000000, -0.0000341200000000, 0.0000116400000000 ] - [ -0.0000678900000000, -0.0000930600000000, -0.0000754900000000 ] - [ -0.0000384300000000, 0.0000667300000000, -0.0001861700000000 ] - [ 0.0004353200000000, -0.0006856500000000, -0.0009422500000000 ] - [ 0.0000969700000000, -0.0000864200000000, 0.0000380100000000 ] - [ 0.0005280300000000, 0.0035089700000000, 0.0032559500000000 ] - [ -0.0007574300000000, -0.0001399800000000, -0.0001668100000000 ] - [ 0.0003627000000000, -0.0001482900000000, -0.0000406600000000 ] - [ -0.0000211000000000, 0.0002435000000000, -0.0002266700000000 ] - [ -0.0004536600000000, 0.0000528000000000, -0.0001228500000000 ] - [ 0.0000294000000000, 0.0000359100000000, -0.0000125100000000 ] - [ 0.0016023700000000, 0.0011203500000000, 0.0004786700000000 ] - [ -0.0001951000000000, 0.0001057700000000, -0.0002342000000000 ] - [ 0.0001608500000000, 0.0000021100000000, -0.0000277500000000 ] - [ -0.0000028200000000, -0.0000061200000000, -0.0000170800000000 ] - [ -0.0001037700000000, 0.0003093000000000, -0.0004132700000000 ] - [ 0.0000233700000000, -0.0000738100000000, 0.0000504600000000 ] - [ -0.0001378900000000, -0.0002102800000000, 0.0004955100000000 ] - [ 0.0138324500000000, 0.0355190300000000, -0.0038479100000000 ] - [ -0.0001527600000000, -0.0000778000000000, 0.0000738900000000 ] - [ -0.0000543500000000, 0.0000449100000000, 0.0000940800000000 ] - [ 0.0000000000000000, 0.0005865700000000, 0.0013185100000000 ] - [ 0.0000000000000000, 0.0001079100000000, -0.0001879300000000 ] - [ 0.0000000000000000, 0.0001969000000000, -0.0001741500000000 ] - [ 0.0000000000000000, 0.0001149600000000, 0.0000169200000000 ] - [ 0.0000028200000000, -0.0000061200000000, -0.0000170800000000 ] - [ -0.0001608500000000, 0.0000021100000000, -0.0000277500000000 ] - [ -0.0000233700000000, -0.0000738100000000, 0.0000504600000000 ] - [ 0.0001037700000000, 0.0003093000000000, -0.0004132700000000 ] - [ 0.0000000000000000, 0.0003424400000000, -0.0001338300000000 ] - [ 0.0000000000000000, 0.0001085600000000, 0.0001103200000000 ] - [ 0.0000000000000000, 0.0003397100000000, -0.0002265400000000 ] - [ 0.0000000000000000, 0.0001086800000000, 0.0000774100000000 ] - [ 0.0000000000000000, 0.0794745900000000, 0.0357633500000000 ] - [ 0.0000000000000000, -0.0000578100000000, -0.0001253400000000 ] - [ 0.0000000000000000, 0.0010290100000000, -0.0003025100000000 ] - [ 0.0000000000000000, -0.0000377400000000, 0.0000348600000000 ] - [ -0.0000294000000000, 0.0000359100000000, -0.0000125100000000 ] - [ 0.0004536600000000, 0.0000528000000000, -0.0001228500000000 ] - [ 0.0001951000000000, 0.0001057700000000, -0.0002342000000000 ] - [ -0.0016023700000000, 0.0011203500000000, 0.0004786700000000 ] - [ 0.0007574300000000, -0.0001399800000000, -0.0001668100000000 ] - [ -0.0005280300000000, 0.0035089700000000, 0.0032559500000000 ] - [ 0.0000211000000000, 0.0002435000000000, -0.0002266700000000 ] - [ -0.0003627000000000, -0.0001482900000000, -0.0000406600000000 ] - [ 0.0000000000000000, -0.0024141400000000, -0.0048344000000000 ] - [ 0.0000000000000000, -0.0001989900000000, 0.0000941400000000 ] - [ 0.0000000000000000, -0.0024435300000000, 0.0005181500000000 ] - [ 0.0000000000000000, -0.0001996300000000, 0.0000820000000000 ] - [ -0.0138324500000000, 0.0355190300000000, -0.0038479100000000 ] - [ 0.0001378900000000, -0.0002102800000000, 0.0004955100000000 ] - [ 0.0000543500000000, 0.0000449100000000, 0.0000940800000000 ] - [ 0.0001527600000000, -0.0000778000000000, 0.0000738900000000 ] - [ -0.0002744500000000, -0.0004012800000000, 0.0000635100000000 ] - [ 0.0000026400000000, 0.0000317800000000, 0.0001325100000000 ] - [ 0.0001666400000000, -0.0002157300000000, 0.0001503000000000 ] - [ 0.0000974000000000, 0.0000616700000000, -0.0002024500000000 ] - [ -0.0000026400000000, 0.0000317800000000, 0.0001325100000000 ] - [ 0.0002744500000000, -0.0004012800000000, 0.0000635100000000 ] - [ -0.0000974000000000, 0.0000616700000000, -0.0002024500000000 ] - [ -0.0001666400000000, -0.0002157300000000, 0.0001503000000000 ] - [ -0.0006590100000000, -0.0009273100000000, -0.0018223400000000 ] - [ -0.0015245100000000, 0.0003690100000000, 0.0007386800000000 ] - [ -0.0001341900000000, 0.0003159000000000, -0.0006669800000000 ] - [ 0.0003694300000000, 0.0001140200000000, 0.0003623400000000 ] - [ 0.0015245100000000, 0.0003690100000000, 0.0007386800000000 ] - [ 0.0006590100000000, -0.0009273100000000, -0.0018223400000000 ] - [ -0.0003694300000000, 0.0001140200000000, 0.0003623400000000 ] - [ 0.0001341900000000, 0.0003159000000000, -0.0006669800000000 ]- atom: 41 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000120900000000, -0.0006801500000000, -0.0002839400000000 ] - [ -0.0000120900000000, -0.0006801500000000, -0.0002839400000000 ] - [ 0.0000101100000000, -0.0001717400000000, -0.0000216500000000 ] - [ -0.0000101100000000, -0.0001717400000000, -0.0000216500000000 ] - [ -0.0026750000000000, 0.0003610100000000, 0.0007301000000000 ] - [ 0.0026750000000000, 0.0003610100000000, 0.0007301000000000 ] - [ 0.0000427100000000, 0.0001848100000000, -0.0001079300000000 ] - [ -0.0000427100000000, 0.0001848100000000, -0.0001079300000000 ] - [ -0.0002870400000000, 0.0004351200000000, -0.0000845600000000 ] - [ 0.0002870400000000, 0.0004351200000000, -0.0000845600000000 ] - [ -0.0004115800000000, 0.0004106700000000, -0.0002946000000000 ] - [ 0.0004115800000000, 0.0004106700000000, -0.0002946000000000 ] - [ -0.0002312300000000, -0.0000989000000000, 0.0001039800000000 ] - [ 0.0002312300000000, -0.0000989000000000, 0.0001039800000000 ] - [ -0.0000219900000000, -0.0003298600000000, 0.0000998300000000 ] - [ 0.0000219900000000, -0.0003298600000000, 0.0000998300000000 ] - [ -0.0004851500000000, -0.0045434100000000, -0.0017529500000000 ] - [ 0.0000582200000000, 0.0000361800000000, -0.0000452700000000 ] - [ 0.0002846700000000, -0.0001855900000000, 0.0001989400000000 ] - [ 0.0000305800000000, -0.0000808600000000, -0.0000785300000000 ] - [ 0.0026326000000000, -0.0060038200000000, -0.0069091000000000 ] - [ -0.0000635100000000, -0.0007606200000000, 0.0004035800000000 ] - [ 0.0000513000000000, -0.0000385800000000, -0.0000627700000000 ] - [ -0.0000074800000000, -0.0000230200000000, 0.0000278200000000 ] - [ 0.0048680200000000, -0.0208027500000000, -0.0123459600000000 ] - [ -0.0004448300000000, -0.0000691000000000, 0.0028912800000000 ] - [ -0.0000016500000000, 0.0000236900000000, -0.0000543000000000 ] - [ 0.0000249100000000, 0.0000259000000000, 0.0000256200000000 ] - [ -0.0001045700000000, -0.0000665500000000, 0.0002111100000000 ] - [ -0.0001354000000000, 0.0000985500000000, 0.0000982100000000 ] - [ 0.0000291600000000, 0.0000841400000000, -0.0000108400000000 ] - [ 0.0003633400000000, 0.0006860800000000, 0.0009693900000000 ] - [ 0.0000000000000000, -0.0188660100000000, 0.0032923400000000 ] - [ 0.0000000000000000, 0.0013278900000000, 0.0003469500000000 ] - [ 0.0000000000000000, 0.0006823900000000, -0.0000298300000000 ] - [ 0.0000000000000000, 0.0002858800000000, -0.0001614900000000 ] - [ 0.0004448300000000, -0.0000691000000000, 0.0028912800000000 ] - [ -0.0048680200000000, -0.0208027500000000, -0.0123459600000000 ] - [ -0.0000249100000000, 0.0000259000000000, 0.0000256200000000 ] - [ 0.0000016500000000, 0.0000236900000000, -0.0000543000000000 ] - [ 0.0000000000000000, 0.2486474400000000, 0.0544866900000000 ] - [ 0.0000000000000000, 0.0007145800000000, 0.0001575100000000 ] - [ 0.0000000000000000, -0.0000898800000000, -0.0001330100000000 ] - [ 0.0000000000000000, 0.0000001500000000, -0.0000886300000000 ] - [ 0.0000000000000000, -0.0032027300000000, 0.0013365800000000 ] - [ 0.0000000000000000, -0.0006859600000000, 0.0008790400000000 ] - [ 0.0000000000000000, -0.0000853700000000, -0.0001752700000000 ] - [ 0.0000000000000000, -0.0001676800000000, -0.0000583800000000 ] - [ 0.0000635100000000, -0.0007606200000000, 0.0004035800000000 ] - [ -0.0026326000000000, -0.0060038200000000, -0.0069091000000000 ] - [ 0.0000074800000000, -0.0000230200000000, 0.0000278200000000 ] - [ -0.0000513000000000, -0.0000385800000000, -0.0000627700000000 ] - [ -0.0000582200000000, 0.0000361800000000, -0.0000452700000000 ] - [ 0.0004851500000000, -0.0045434100000000, -0.0017529500000000 ] - [ -0.0000305800000000, -0.0000808600000000, -0.0000785300000000 ] - [ -0.0002846700000000, -0.0001855900000000, 0.0001989400000000 ] - [ 0.0000000000000000, -0.0079493900000000, -0.0016804600000000 ] - [ 0.0000000000000000, -0.0002647500000000, -0.0006518400000000 ] - [ 0.0000000000000000, -0.0001282300000000, -0.0001035600000000 ] - [ 0.0000000000000000, -0.0000664500000000, -0.0000282600000000 ] - [ 0.0001354000000000, 0.0000985500000000, 0.0000982100000000 ] - [ 0.0001045700000000, -0.0000665500000000, 0.0002111100000000 ] - [ -0.0003633400000000, 0.0006860800000000, 0.0009693900000000 ] - [ -0.0000291600000000, 0.0000841400000000, -0.0000108400000000 ] - [ -0.0005144600000000, -0.0034956300000000, -0.0032338800000000 ] - [ 0.0007350200000000, 0.0001380200000000, 0.0002161300000000 ] - [ -0.0003913200000000, 0.0001491900000000, 0.0000795600000000 ] - [ -0.0000001000000000, -0.0002397900000000, 0.0002693900000000 ] - [ 0.0004436200000000, -0.0000772400000000, 0.0001116700000000 ] - [ -0.0000410900000000, -0.0000582500000000, -0.0000013500000000 ] - [ -0.0016038200000000, -0.0011340000000000, -0.0004885800000000 ] - [ 0.0001810700000000, -0.0001303800000000, 0.0002140700000000 ] - [ -0.0001722200000000, 0.0000184500000000, 0.0000132400000000 ] - [ -0.0000088600000000, 0.0000264500000000, 0.0000021500000000 ] - [ 0.0000920400000000, -0.0002750000000000, 0.0003999400000000 ] - [ -0.0000332000000000, 0.0000926200000000, -0.0000650000000000 ] - [ 0.0000721000000000, 0.0002068700000000, -0.0004639900000000 ] - [ -0.0149658500000000, -0.0373917100000000, 0.0045691900000000 ] - [ 0.0000849800000000, 0.0000763800000000, -0.0000466500000000 ] - [ -0.0000106700000000, -0.0000452800000000, -0.0000669700000000 ] - [ 0.0000000000000000, -0.0005053000000000, -0.0013335600000000 ] - [ 0.0000000000000000, -0.0000364700000000, 0.0001879000000000 ] - [ 0.0000000000000000, -0.0001282300000000, 0.0001775100000000 ] - [ 0.0000000000000000, -0.0000446700000000, -0.0000141400000000 ] - [ 0.0000088600000000, 0.0000264500000000, 0.0000021500000000 ] - [ 0.0001722200000000, 0.0000184500000000, 0.0000132400000000 ] - [ 0.0000332000000000, 0.0000926200000000, -0.0000650000000000 ] - [ -0.0000920400000000, -0.0002750000000000, 0.0003999400000000 ] - [ 0.0000000000000000, -0.0002380200000000, 0.0001085500000000 ] - [ 0.0000000000000000, -0.0000072400000000, -0.0001273300000000 ] - [ 0.0000000000000000, -0.0002406800000000, 0.0001991200000000 ] - [ 0.0000000000000000, -0.0000070700000000, -0.0000938800000000 ] - [ 0.0000000000000000, -0.0766167000000000, -0.0332906300000000 ] - [ 0.0000000000000000, -0.0000134800000000, 0.0001286600000000 ] - [ 0.0000000000000000, -0.0011025500000000, 0.0002991700000000 ] - [ 0.0000000000000000, -0.0000332900000000, -0.0000324500000000 ] - [ 0.0000410900000000, -0.0000582500000000, -0.0000013500000000 ] - [ -0.0004436200000000, -0.0000772400000000, 0.0001116700000000 ] - [ -0.0001810700000000, -0.0001303800000000, 0.0002140700000000 ] - [ 0.0016038200000000, -0.0011340000000000, -0.0004885800000000 ] - [ -0.0007350200000000, 0.0001380200000000, 0.0002161300000000 ] - [ 0.0005144600000000, -0.0034956300000000, -0.0032338800000000 ] - [ 0.0000001000000000, -0.0002397900000000, 0.0002693900000000 ] - [ 0.0003913200000000, 0.0001491900000000, 0.0000795600000000 ] - [ 0.0000000000000000, 0.0023384200000000, 0.0047980400000000 ] - [ 0.0000000000000000, 0.0000963400000000, -0.0001105900000000 ] - [ 0.0000000000000000, 0.0023091100000000, -0.0005319300000000 ] - [ 0.0000000000000000, 0.0000957400000000, -0.0000987900000000 ] - [ 0.0149658500000000, -0.0373917100000000, 0.0045691900000000 ] - [ -0.0000721000000000, 0.0002068700000000, -0.0004639900000000 ] - [ 0.0000106700000000, -0.0000452800000000, -0.0000669700000000 ] - [ -0.0000849800000000, 0.0000763800000000, -0.0000466500000000 ] - [ 0.0003261900000000, 0.0004003700000000, -0.0001011200000000 ] - [ 0.0000486400000000, -0.0000334000000000, -0.0001635900000000 ] - [ -0.0001207200000000, 0.0002112000000000, -0.0001836700000000 ] - [ -0.0000521900000000, -0.0000620100000000, 0.0001689500000000 ] - [ -0.0000486400000000, -0.0000334000000000, -0.0001635900000000 ] - [ -0.0003261900000000, 0.0004003700000000, -0.0001011200000000 ] - [ 0.0000521900000000, -0.0000620100000000, 0.0001689500000000 ] - [ 0.0001207200000000, 0.0002112000000000, -0.0001836700000000 ] - [ 0.0006784400000000, 0.0009132500000000, 0.0017645500000000 ] - [ 0.0015634300000000, -0.0003651000000000, -0.0007733800000000 ] - [ 0.0001771300000000, -0.0003104300000000, 0.0006415500000000 ] - [ -0.0003302600000000, -0.0001146500000000, -0.0003967000000000 ] - [ -0.0015634300000000, -0.0003651000000000, -0.0007733800000000 ] - [ -0.0006784400000000, 0.0009132500000000, 0.0017645500000000 ] - [ 0.0003302600000000, -0.0001146500000000, -0.0003967000000000 ] - [ -0.0001771300000000, -0.0003104300000000, 0.0006415500000000 ]- atom: 41 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0004618500000000, -0.0000927700000000, -0.0001560000000000 ] - [ -0.0004618500000000, -0.0000927700000000, -0.0001560000000000 ] - [ 0.0000432200000000, -0.0000763600000000, -0.0000100000000000 ] - [ -0.0000432200000000, -0.0000763600000000, -0.0000100000000000 ] - [ 0.0014935000000000, -0.0001070400000000, -0.0011625900000000 ] - [ -0.0014935000000000, -0.0001070400000000, -0.0011625900000000 ] - [ 0.0000264000000000, 0.0000772400000000, 0.0000066700000000 ] - [ -0.0000264000000000, 0.0000772400000000, 0.0000066700000000 ] - [ -0.0009562800000000, 0.0003175600000000, 0.0012903700000000 ] - [ 0.0009562800000000, 0.0003175600000000, 0.0012903700000000 ] - [ 0.0003872100000000, -0.0002972200000000, 0.0002886400000000 ] - [ -0.0003872100000000, -0.0002972200000000, 0.0002886400000000 ] - [ 0.0000883000000000, -0.0000608800000000, -0.0000004200000000 ] - [ -0.0000883000000000, -0.0000608800000000, -0.0000004200000000 ] - [ 0.0002426900000000, 0.0002810700000000, 0.0000120000000000 ] - [ -0.0002426900000000, 0.0002810700000000, 0.0000120000000000 ] - [ 0.0014395300000000, -0.0023229700000000, -0.0022652400000000 ] - [ 0.0000073700000000, -0.0000904200000000, 0.0000969000000000 ] - [ 0.0001538000000000, 0.0000300100000000, 0.0001650400000000 ] - [ -0.0000374000000000, 0.0000040300000000, 0.0000033400000000 ] - [ -0.0006589600000000, 0.0043344400000000, -0.0010036000000000 ] - [ -0.0005378400000000, 0.0005480900000000, 0.0008208300000000 ] - [ 0.0000760500000000, -0.0001013100000000, -0.0000036800000000 ] - [ -0.0000762100000000, -0.0000537200000000, -0.0000282000000000 ] - [ -0.0138949200000000, 0.0128503700000000, 0.0196513400000000 ] - [ 0.0002378400000000, -0.0016069000000000, -0.0000205400000000 ] - [ 0.0000723100000000, 0.0001480800000000, 0.0000287700000000 ] - [ -0.0000967100000000, 0.0000526000000000, -0.0000018900000000 ] - [ 0.0000128700000000, 0.0000181700000000, -0.0000823000000000 ] - [ -0.0000086900000000, -0.0000345100000000, -0.0003729100000000 ] - [ -0.0001159500000000, 0.0000228700000000, 0.0000600300000000 ] - [ 0.0004629400000000, 0.0007153600000000, 0.0008468700000000 ] - [ 0.0000000000000000, 0.0031817800000000, 0.0480125000000000 ] - [ 0.0000000000000000, 0.0001756600000000, 0.0006780300000000 ] - [ 0.0000000000000000, -0.0000418200000000, -0.0001820500000000 ] - [ 0.0000000000000000, -0.0001431600000000, 0.0003894200000000 ] - [ -0.0002378400000000, -0.0016069000000000, -0.0000205400000000 ] - [ 0.0138949200000000, 0.0128503700000000, 0.0196513400000000 ] - [ 0.0000967100000000, 0.0000526000000000, -0.0000018900000000 ] - [ -0.0000723100000000, 0.0001480800000000, 0.0000287700000000 ] - [ 0.0000000000000000, -0.0567624100000000, -0.2008426000000000 ] - [ 0.0000000000000000, -0.0001182700000000, -0.0005400300000000 ] - [ 0.0000000000000000, 0.0001735900000000, -0.0000621800000000 ] - [ 0.0000000000000000, 0.0001282600000000, 0.0001554700000000 ] - [ 0.0000000000000000, -0.0015239000000000, 0.0030947300000000 ] - [ 0.0000000000000000, -0.0008440200000000, 0.0000939100000000 ] - [ 0.0000000000000000, 0.0001955600000000, -0.0003497900000000 ] - [ 0.0000000000000000, 0.0000439600000000, 0.0000230200000000 ] - [ 0.0005378400000000, 0.0005480900000000, 0.0008208300000000 ] - [ 0.0006589600000000, 0.0043344400000000, -0.0010036000000000 ] - [ 0.0000762100000000, -0.0000537200000000, -0.0000282000000000 ] - [ -0.0000760500000000, -0.0001013100000000, -0.0000036800000000 ] - [ -0.0000073700000000, -0.0000904200000000, 0.0000969000000000 ] - [ -0.0014395300000000, -0.0023229700000000, -0.0022652400000000 ] - [ 0.0000374000000000, 0.0000040300000000, 0.0000033400000000 ] - [ -0.0001538000000000, 0.0000300100000000, 0.0001650400000000 ] - [ 0.0000000000000000, -0.0016973200000000, 0.0008227400000000 ] - [ 0.0000000000000000, -0.0006897700000000, -0.0006736100000000 ] - [ 0.0000000000000000, -0.0001427600000000, -0.0002455900000000 ] - [ 0.0000000000000000, -0.0000676800000000, 0.0000928300000000 ] - [ 0.0000086900000000, -0.0000345100000000, -0.0003729100000000 ] - [ -0.0000128700000000, 0.0000181700000000, -0.0000823000000000 ] - [ -0.0004629400000000, 0.0007153600000000, 0.0008468700000000 ] - [ 0.0001159500000000, 0.0000228700000000, 0.0000600300000000 ] - [ -0.0049122900000000, 0.0052593900000000, 0.0054560200000000 ] - [ -0.0005224000000000, -0.0001085700000000, 0.0003569900000000 ] - [ 0.0000161700000000, 0.0002390200000000, -0.0003182500000000 ] - [ 0.0000076400000000, 0.0008181400000000, -0.0002370900000000 ] - [ 0.0000101000000000, 0.0004059900000000, -0.0000442900000000 ] - [ 0.0000306300000000, 0.0000282100000000, -0.0000038600000000 ] - [ 0.0001005300000000, 0.0021583000000000, 0.0024641900000000 ] - [ -0.0001637500000000, -0.0001501300000000, -0.0000676400000000 ] - [ 0.0000729400000000, 0.0001814800000000, -0.0001258600000000 ] - [ -0.0000243300000000, 0.0000419300000000, -0.0000356500000000 ] - [ 0.0001594500000000, -0.0011113600000000, 0.0005846000000000 ] - [ -0.0001342300000000, -0.0001150700000000, -0.0001490000000000 ] - [ 0.0001528300000000, -0.0005352400000000, -0.0002420500000000 ] - [ -0.0088000300000000, -0.0055441300000000, 0.0180167900000000 ] - [ -0.0001018000000000, -0.0000774000000000, -0.0000552700000000 ] - [ 0.0001389200000000, -0.0001171400000000, 0.0000441400000000 ] - [ 0.0000000000000000, -0.0014095400000000, -0.0010036600000000 ] - [ 0.0000000000000000, 0.0001926500000000, -0.0000684600000000 ] - [ 0.0000000000000000, 0.0001932300000000, -0.0000698700000000 ] - [ 0.0000000000000000, 0.0000240000000000, 0.0000023800000000 ] - [ 0.0000243300000000, 0.0000419300000000, -0.0000356500000000 ] - [ -0.0000729400000000, 0.0001814800000000, -0.0001258600000000 ] - [ 0.0001342300000000, -0.0001150700000000, -0.0001490000000000 ] - [ -0.0001594500000000, -0.0011113600000000, 0.0005846000000000 ] - [ 0.0000000000000000, -0.0001661900000000, 0.0006293000000000 ] - [ 0.0000000000000000, 0.0001340600000000, -0.0000090600000000 ] - [ 0.0000000000000000, -0.0000750500000000, 0.0006275300000000 ] - [ 0.0000000000000000, 0.0001669600000000, -0.0000096100000000 ] - [ 0.0000000000000000, 0.0352512700000000, 0.0514639400000000 ] - [ 0.0000000000000000, -0.0001696800000000, 0.0000195600000000 ] - [ 0.0000000000000000, -0.0003355600000000, 0.0003600000000000 ] - [ 0.0000000000000000, -0.0000122900000000, 0.0001099800000000 ] - [ -0.0000306300000000, 0.0000282100000000, -0.0000038600000000 ] - [ -0.0000101000000000, 0.0004059900000000, -0.0000442900000000 ] - [ 0.0001637500000000, -0.0001501300000000, -0.0000676400000000 ] - [ -0.0001005300000000, 0.0021583000000000, 0.0024641900000000 ] - [ 0.0005224000000000, -0.0001085700000000, 0.0003569900000000 ] - [ 0.0049122900000000, 0.0052593900000000, 0.0054560200000000 ] - [ -0.0000076400000000, 0.0008181400000000, -0.0002370900000000 ] - [ -0.0000161700000000, 0.0002390200000000, -0.0003182500000000 ] - [ 0.0000000000000000, -0.0005786100000000, 0.0024675200000000 ] - [ 0.0000000000000000, -0.0001391900000000, 0.0000216600000000 ] - [ 0.0000000000000000, 0.0047849000000000, 0.0025233200000000 ] - [ 0.0000000000000000, -0.0001518000000000, 0.0000206900000000 ] - [ 0.0088000300000000, -0.0055441300000000, 0.0180167900000000 ] - [ -0.0001528300000000, -0.0005352400000000, -0.0002420500000000 ] - [ -0.0001389200000000, -0.0001171400000000, 0.0000441400000000 ] - [ 0.0001018000000000, -0.0000774000000000, -0.0000552700000000 ] - [ 0.0004214300000000, 0.0000739500000000, -0.0001502400000000 ] - [ 0.0001509500000000, 0.0000905300000000, 0.0000773100000000 ] - [ -0.0000366600000000, 0.0002316300000000, -0.0002120900000000 ] - [ -0.0000556500000000, -0.0000216200000000, 0.0000714700000000 ] - [ -0.0001509500000000, 0.0000905300000000, 0.0000773100000000 ] - [ -0.0004214300000000, 0.0000739500000000, -0.0001502400000000 ] - [ 0.0000556500000000, -0.0000216200000000, 0.0000714700000000 ] - [ 0.0000366600000000, 0.0002316300000000, -0.0002120900000000 ] - [ 0.0033967100000000, -0.0070862300000000, 0.0016010000000000 ] - [ 0.0004779500000000, 0.0001226000000000, 0.0007495600000000 ] - [ 0.0009559500000000, 0.0010888100000000, 0.0003072600000000 ] - [ 0.0000320500000000, -0.0002173300000000, -0.0000275000000000 ] - [ -0.0004779500000000, 0.0001226000000000, 0.0007495600000000 ] - [ -0.0033967100000000, -0.0070862300000000, 0.0016010000000000 ] - [ -0.0000320500000000, -0.0002173300000000, -0.0000275000000000 ] - [ -0.0009559500000000, 0.0010888100000000, 0.0003072600000000 ]- atom: 41 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0004595100000000, -0.0000289700000000, 0.0001561200000000 ] - [ 0.0004595100000000, -0.0000289700000000, 0.0001561200000000 ] - [ -0.0000428200000000, -0.0000505900000000, 0.0000124900000000 ] - [ 0.0000428200000000, -0.0000505900000000, 0.0000124900000000 ] - [ -0.0015215200000000, 0.0002299700000000, 0.0011496900000000 ] - [ 0.0015215200000000, 0.0002299700000000, 0.0011496900000000 ] - [ -0.0000263000000000, 0.0000519500000000, -0.0000013700000000 ] - [ 0.0000263000000000, 0.0000519500000000, -0.0000013700000000 ] - [ 0.0009614100000000, -0.0004501400000000, -0.0012945800000000 ] - [ -0.0009614100000000, -0.0004501400000000, -0.0012945800000000 ] - [ -0.0003782100000000, 0.0001642600000000, -0.0002788700000000 ] - [ 0.0003782100000000, 0.0001642600000000, -0.0002788700000000 ] - [ -0.0000861300000000, 0.0002011700000000, -0.0000056400000000 ] - [ 0.0000861300000000, 0.0002011700000000, -0.0000056400000000 ] - [ -0.0002403600000000, -0.0001462400000000, -0.0000110800000000 ] - [ 0.0002403600000000, -0.0001462400000000, -0.0000110800000000 ] - [ -0.0014475200000000, 0.0022993300000000, 0.0022968800000000 ] - [ -0.0000305600000000, 0.0000913800000000, -0.0000461800000000 ] - [ -0.0001821800000000, -0.0000288200000000, -0.0001178700000000 ] - [ 0.0000130000000000, -0.0000043900000000, 0.0000481800000000 ] - [ 0.0006657900000000, -0.0043189200000000, 0.0009840000000000 ] - [ 0.0005371900000000, -0.0005611800000000, -0.0008324500000000 ] - [ -0.0000889500000000, 0.0000785400000000, -0.0000138200000000 ] - [ 0.0000611000000000, 0.0000295300000000, 0.0000138700000000 ] - [ 0.0143923400000000, -0.0131272500000000, -0.0199576200000000 ] - [ -0.0002424300000000, 0.0016370200000000, -0.0000015400000000 ] - [ -0.0000845600000000, -0.0001242200000000, -0.0000433800000000 ] - [ 0.0000835200000000, -0.0000302500000000, -0.0000129600000000 ] - [ -0.0000797800000000, -0.0000201900000000, 0.0001050000000000 ] - [ -0.0000551000000000, 0.0000324500000000, 0.0004023000000000 ] - [ 0.0000471400000000, -0.0000242200000000, -0.0000347400000000 ] - [ -0.0005373900000000, -0.0007043700000000, -0.0008060100000000 ] - [ 0.0000000000000000, -0.0032851800000000, -0.0515781000000000 ] - [ 0.0000000000000000, -0.0001104800000000, -0.0006737600000000 ] - [ 0.0000000000000000, 0.0001011000000000, 0.0001933700000000 ] - [ 0.0000000000000000, 0.0002119100000000, -0.0003851500000000 ] - [ 0.0002424300000000, 0.0016370200000000, -0.0000015400000000 ] - [ -0.0143923400000000, -0.0131272500000000, -0.0199576200000000 ] - [ -0.0000835200000000, -0.0000302500000000, -0.0000129600000000 ] - [ 0.0000845600000000, -0.0001242200000000, -0.0000433800000000 ] - [ 0.0000000000000000, 0.0563862700000000, 0.2047971900000000 ] - [ 0.0000000000000000, 0.0002149800000000, 0.0005201600000000 ] - [ 0.0000000000000000, -0.0000742300000000, 0.0000431800000000 ] - [ 0.0000000000000000, -0.0000311200000000, -0.0001754200000000 ] - [ 0.0000000000000000, 0.0014801600000000, -0.0030930100000000 ] - [ 0.0000000000000000, 0.0007793100000000, -0.0000919000000000 ] - [ 0.0000000000000000, -0.0002650200000000, 0.0003591400000000 ] - [ 0.0000000000000000, -0.0001125200000000, -0.0000181200000000 ] - [ -0.0005371900000000, -0.0005611800000000, -0.0008324500000000 ] - [ -0.0006657900000000, -0.0043189200000000, 0.0009840000000000 ] - [ -0.0000611000000000, 0.0000295300000000, 0.0000138700000000 ] - [ 0.0000889500000000, 0.0000785400000000, -0.0000138200000000 ] - [ 0.0000305600000000, 0.0000913800000000, -0.0000461800000000 ] - [ 0.0014475200000000, 0.0022993300000000, 0.0022968800000000 ] - [ -0.0000130000000000, -0.0000043900000000, 0.0000481800000000 ] - [ 0.0001821800000000, -0.0000288200000000, -0.0001178700000000 ] - [ 0.0000000000000000, 0.0016284000000000, -0.0008095600000000 ] - [ 0.0000000000000000, 0.0005912700000000, 0.0006624100000000 ] - [ 0.0000000000000000, 0.0000449800000000, 0.0002274900000000 ] - [ 0.0000000000000000, -0.0000296400000000, -0.0001117300000000 ] - [ 0.0000551000000000, 0.0000324500000000, 0.0004023000000000 ] - [ 0.0000797800000000, -0.0000201900000000, 0.0001050000000000 ] - [ 0.0005373900000000, -0.0007043700000000, -0.0008060100000000 ] - [ -0.0000471400000000, -0.0000242200000000, -0.0000347400000000 ] - [ 0.0049502300000000, -0.0053622100000000, -0.0055614400000000 ] - [ 0.0004964200000000, 0.0001049300000000, -0.0003129900000000 ] - [ -0.0000400400000000, -0.0002455600000000, 0.0003737200000000 ] - [ -0.0000269800000000, -0.0008188200000000, 0.0002834300000000 ] - [ -0.0000248600000000, -0.0004359500000000, 0.0000331300000000 ] - [ -0.0000422100000000, -0.0000507200000000, -0.0000109200000000 ] - [ -0.0001078200000000, -0.0021520100000000, -0.0024677900000000 ] - [ 0.0001469700000000, 0.0001245000000000, 0.0000517400000000 ] - [ -0.0000831500000000, -0.0001616400000000, 0.0001129200000000 ] - [ 0.0000125800000000, -0.0000204800000000, 0.0000210500000000 ] - [ -0.0001696100000000, 0.0011320800000000, -0.0005966200000000 ] - [ 0.0001223900000000, 0.0001353000000000, 0.0001351100000000 ] - [ -0.0002273900000000, 0.0005369400000000, 0.0002766500000000 ] - [ 0.0086057200000000, 0.0054603200000000, -0.0180738100000000 ] - [ 0.0000328700000000, 0.0000781600000000, 0.0000835300000000 ] - [ -0.0002062800000000, 0.0001209900000000, -0.0000167100000000 ] - [ 0.0000000000000000, 0.0014746800000000, 0.0010197500000000 ] - [ 0.0000000000000000, -0.0001245100000000, 0.0000706300000000 ] - [ 0.0000000000000000, -0.0001237400000000, 0.0000745400000000 ] - [ 0.0000000000000000, 0.0000444300000000, 0.0000010800000000 ] - [ -0.0000125800000000, -0.0000204800000000, 0.0000210500000000 ] - [ 0.0000831500000000, -0.0001616400000000, 0.0001129200000000 ] - [ -0.0001223900000000, 0.0001353000000000, 0.0001351100000000 ] - [ 0.0001696100000000, 0.0011320800000000, -0.0005966200000000 ] - [ 0.0000000000000000, 0.0002608200000000, -0.0006424900000000 ] - [ 0.0000000000000000, -0.0000358800000000, -0.0000081800000000 ] - [ 0.0000000000000000, 0.0001688300000000, -0.0006440700000000 ] - [ 0.0000000000000000, -0.0000691100000000, -0.0000086600000000 ] - [ 0.0000000000000000, -0.0338086400000000, -0.0508911500000000 ] - [ 0.0000000000000000, 0.0000995000000000, -0.0000174400000000 ] - [ 0.0000000000000000, 0.0002782000000000, -0.0003699600000000 ] - [ 0.0000000000000000, -0.0000564100000000, -0.0001074300000000 ] - [ 0.0000422100000000, -0.0000507200000000, -0.0000109200000000 ] - [ 0.0000248600000000, -0.0004359500000000, 0.0000331300000000 ] - [ -0.0001469700000000, 0.0001245000000000, 0.0000517400000000 ] - [ 0.0001078200000000, -0.0021520100000000, -0.0024677900000000 ] - [ -0.0004964200000000, 0.0001049300000000, -0.0003129900000000 ] - [ -0.0049502300000000, -0.0053622100000000, -0.0055614400000000 ] - [ 0.0000269800000000, -0.0008188200000000, 0.0002834300000000 ] - [ 0.0000400400000000, -0.0002455600000000, 0.0003737200000000 ] - [ 0.0000000000000000, 0.0004696300000000, -0.0025521900000000 ] - [ 0.0000000000000000, 0.0000396400000000, -0.0000382000000000 ] - [ 0.0000000000000000, -0.0048494300000000, -0.0024964000000000 ] - [ 0.0000000000000000, 0.0000511100000000, -0.0000391500000000 ] - [ -0.0086057200000000, 0.0054603200000000, -0.0180738100000000 ] - [ 0.0002273900000000, 0.0005369400000000, 0.0002766500000000 ] - [ 0.0002062800000000, 0.0001209900000000, -0.0000167100000000 ] - [ -0.0000328700000000, 0.0000781600000000, 0.0000835300000000 ] - [ -0.0003736300000000, -0.0000713900000000, 0.0001187300000000 ] - [ -0.0001043900000000, -0.0000894900000000, -0.0001083900000000 ] - [ 0.0000795600000000, -0.0002311700000000, 0.0001784300000000 ] - [ 0.0000984200000000, 0.0000204000000000, -0.0001048700000000 ] - [ 0.0001043900000000, -0.0000894900000000, -0.0001083900000000 ] - [ 0.0003736300000000, -0.0000713900000000, 0.0001187300000000 ] - [ -0.0000984200000000, 0.0000204000000000, -0.0001048700000000 ] - [ -0.0000795600000000, -0.0002311700000000, 0.0001784300000000 ] - [ -0.0033299900000000, 0.0070549500000000, -0.0016038300000000 ] - [ -0.0004616100000000, -0.0001088600000000, -0.0007873600000000 ] - [ -0.0009212000000000, -0.0011130900000000, -0.0003342900000000 ] - [ 0.0000035800000000, 0.0002223000000000, -0.0000082700000000 ] - [ 0.0004616100000000, -0.0001088600000000, -0.0007873600000000 ] - [ 0.0033299900000000, 0.0070549500000000, -0.0016038300000000 ] - [ -0.0000035800000000, 0.0002223000000000, -0.0000082700000000 ] - [ 0.0009212000000000, -0.0011130900000000, -0.0003342900000000 ]- atom: 113 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0001949500000000, 0.0023202100000000, 0.0029384300000000 ] - [ -0.0001218100000000, -0.0000312200000000, 0.0000512600000000 ] - [ -0.0002012800000000, -0.0002731000000000, 0.0002026200000000 ] - [ 0.0000345700000000, -0.0000468400000000, -0.0000630800000000 ] - [ 0.0001949500000000, -0.0023202100000000, 0.0029384300000000 ] - [ -0.0001218100000000, 0.0000312200000000, 0.0000512600000000 ] - [ -0.0002012800000000, 0.0002731000000000, 0.0002026200000000 ] - [ 0.0000345700000000, 0.0000468400000000, -0.0000630800000000 ] - [ -0.0001777200000000, -0.0006342900000000, -0.0010142600000000 ] - [ -0.0000110700000000, 0.0000108000000000, -0.0000362400000000 ] - [ -0.0001449000000000, 0.0001274700000000, 0.0001343000000000 ] - [ 0.0000150800000000, -0.0000765600000000, 0.0001179100000000 ] - [ -0.0001777200000000, 0.0006342900000000, -0.0010142600000000 ] - [ -0.0000110700000000, -0.0000108000000000, -0.0000362400000000 ] - [ -0.0001449000000000, -0.0001274700000000, 0.0001343000000000 ] - [ 0.0000150800000000, 0.0000765600000000, 0.0001179100000000 ] - [ 0.0659432600000000, 0.0000000000000000, -0.0407840100000000 ] - [ -0.0007529900000000, 0.0000000000000000, 0.0013083500000000 ] - [ 0.0000316000000000, 0.0000000000000000, -0.0017823800000000 ] - [ 0.0001937400000000, 0.0000000000000000, 0.0003817500000000 ] - [ -0.0005115900000000, -0.0000069800000000, -0.0001432300000000 ] - [ -0.0000695800000000, 0.0000371400000000, -0.0000028800000000 ] - [ -0.0000217400000000, -0.0000264200000000, -0.0000096900000000 ] - [ -0.0000293700000000, 0.0000330300000000, -0.0000016700000000 ] - [ -0.0005115900000000, 0.0000069800000000, -0.0001432300000000 ] - [ -0.0000695800000000, -0.0000371400000000, -0.0000028800000000 ] - [ -0.0000217400000000, 0.0000264200000000, -0.0000096900000000 ] - [ -0.0000293700000000, -0.0000330300000000, -0.0000016700000000 ] - [ 0.0206911000000000, 0.0000000000000000, -0.0126171700000000 ] - [ 0.0060958500000000, 0.0000000000000000, 0.0102354800000000 ] - [ 0.0000206700000000, 0.0000000000000000, -0.0001989200000000 ] - [ 0.0011788000000000, 0.0000000000000000, -0.0000724900000000 ] - [ 0.0000523500000000, -0.0002490300000000, -0.0003513900000000 ] - [ 0.0000044800000000, 0.0000255800000000, -0.0001167200000000 ] - [ -0.0003493300000000, 0.0001556800000000, 0.0000128100000000 ] - [ 0.0000635300000000, 0.0001241300000000, 0.0000805700000000 ] - [ 0.0003915300000000, 0.0000205900000000, -0.0001363900000000 ] - [ 0.0000639500000000, 0.0000656500000000, 0.0000070700000000 ] - [ 0.0000096800000000, 0.0000076600000000, -0.0000030200000000 ] - [ 0.0000766800000000, -0.0001214100000000, -0.0000020400000000 ] - [ 0.0000436000000000, -0.0002537500000000, 0.0003894200000000 ] - [ 0.0000524400000000, 0.0000277800000000, 0.0001208000000000 ] - [ -0.0003066000000000, 0.0001921200000000, -0.0000639700000000 ] - [ 0.0000717200000000, 0.0001246900000000, -0.0000846400000000 ] - [ 0.0000523500000000, 0.0002490300000000, -0.0003513900000000 ] - [ 0.0000044800000000, -0.0000255800000000, -0.0001167200000000 ] - [ -0.0003493300000000, -0.0001556800000000, 0.0000128100000000 ] - [ 0.0000635300000000, -0.0001241300000000, 0.0000805700000000 ] - [ 0.0003915300000000, -0.0000205900000000, -0.0001363900000000 ] - [ 0.0000639500000000, -0.0000656500000000, 0.0000070700000000 ] - [ 0.0000096800000000, -0.0000076600000000, -0.0000030200000000 ] - [ 0.0000766800000000, 0.0001214100000000, -0.0000020400000000 ] - [ 0.0216292800000000, 0.0000000000000000, 0.0138052100000000 ] - [ 0.0059276700000000, 0.0000000000000000, -0.0103954300000000 ] - [ 0.0001385200000000, 0.0000000000000000, 0.0002341200000000 ] - [ 0.0012669500000000, 0.0000000000000000, 0.0000981700000000 ] - [ 0.0000436000000000, 0.0002537500000000, 0.0003894200000000 ] - [ 0.0000524400000000, -0.0000277800000000, 0.0001208000000000 ] - [ -0.0003066000000000, -0.0001921200000000, -0.0000639700000000 ] - [ 0.0000717200000000, -0.0001246900000000, -0.0000846400000000 ] - [ 0.0699328900000000, 0.0000000000000000, 0.0521401000000000 ] - [ -0.0005259400000000, 0.0000000000000000, -0.0012786800000000 ] - [ -0.0000165000000000, 0.0000000000000000, 0.0019331700000000 ] - [ 0.0003566600000000, 0.0000000000000000, -0.0004223700000000 ] - [ -0.0000756700000000, 0.0000000000000000, -0.0001285000000000 ] - [ 0.0000018400000000, 0.0000000000000000, 0.0000062700000000 ] - [ -0.0000470400000000, 0.0000000000000000, 0.0000769900000000 ] - [ -0.0000100800000000, 0.0000000000000000, 0.0000716000000000 ] - [ -0.0038590600000000, 0.0016484500000000, -0.0012118400000000 ] - [ 0.0004822700000000, 0.0001917100000000, 0.0001048500000000 ] - [ -0.0047654400000000, 0.0023891200000000, 0.0014016600000000 ] - [ 0.0005327200000000, 0.0001994600000000, -0.0001520200000000 ] - [ -0.0038590600000000, -0.0016484500000000, -0.0012118400000000 ] - [ 0.0004822700000000, -0.0001917100000000, 0.0001048500000000 ] - [ -0.0047654400000000, -0.0023891200000000, 0.0014016600000000 ] - [ 0.0005327200000000, -0.0001994600000000, -0.0001520200000000 ] - [ 0.0000013700000000, 0.0000000000000000, 0.0002241400000000 ] - [ -0.0000671800000000, 0.0000000000000000, -0.0000853300000000 ] - [ 0.0000064700000000, 0.0000000000000000, -0.0000277700000000 ] - [ -0.0000554200000000, 0.0000000000000000, -0.0001476400000000 ] - [ 0.0037697500000000, -0.0011300200000000, -0.0037999600000000 ] - [ -0.0005483500000000, -0.0017374500000000, -0.0005909400000000 ] - [ 0.0011366200000000, -0.0000742200000000, -0.0008988300000000 ] - [ 0.0000709300000000, 0.0003837100000000, -0.0000391400000000 ] - [ 0.0011686300000000, -0.0009115100000000, 0.0021195200000000 ] - [ 0.0013658700000000, 0.0011487200000000, 0.0004844800000000 ] - [ 0.0014579500000000, -0.0011181600000000, -0.0026577700000000 ] - [ 0.0013450000000000, 0.0009952900000000, -0.0003648900000000 ] - [ 0.0032600600000000, -0.0006127500000000, 0.0033430100000000 ] - [ -0.0004939800000000, -0.0014921100000000, 0.0004576600000000 ] - [ 0.0013904500000000, -0.0001040100000000, 0.0009310100000000 ] - [ 0.0000369500000000, 0.0004018600000000, 0.0000030100000000 ] - [ 0.0037697500000000, 0.0011300200000000, -0.0037999600000000 ] - [ -0.0005483500000000, 0.0017374500000000, -0.0005909400000000 ] - [ 0.0011366200000000, 0.0000742200000000, -0.0008988300000000 ] - [ 0.0000709300000000, -0.0003837100000000, -0.0000391400000000 ] - [ 0.0011686300000000, 0.0009115100000000, 0.0021195200000000 ] - [ 0.0013658700000000, -0.0011487200000000, 0.0004844800000000 ] - [ 0.0014579500000000, 0.0011181600000000, -0.0026577700000000 ] - [ 0.0013450000000000, -0.0009952900000000, -0.0003648900000000 ] - [ 0.0000646700000000, 0.0000000000000000, -0.0001745900000000 ] - [ 0.0000023600000000, 0.0000000000000000, 0.0001348700000000 ] - [ 0.0000448000000000, 0.0000000000000000, 0.0000613400000000 ] - [ -0.0000139900000000, 0.0000000000000000, 0.0001730900000000 ] - [ 0.0032600600000000, 0.0006127500000000, 0.0033430100000000 ] - [ -0.0004939800000000, 0.0014921100000000, 0.0004576600000000 ] - [ 0.0013904500000000, 0.0001040100000000, 0.0009310100000000 ] - [ 0.0000369500000000, -0.0004018600000000, 0.0000030100000000 ] - [ -0.0000296900000000, 0.0000000000000000, 0.0001828700000000 ] - [ 0.0001011500000000, 0.0000000000000000, 0.0000281100000000 ] - [ 0.0000031400000000, 0.0000000000000000, -0.0000221000000000 ] - [ 0.0000227600000000, 0.0000000000000000, -0.0000637800000000 ] - [ -0.5938057200000000, 0.0000000000000000, -0.0156192400000000 ] - [ -0.0003085000000000, 0.0000000000000000, -0.0000496600000000 ] - [ -0.0018297900000000, 0.0000000000000000, -0.0000439300000000 ] - [ 0.0003108100000000, 0.0000000000000000, -0.0000005500000000 ] - [ 0.3971180100000000, 0.0000000000000000, 0.0005424400000000 ] - [ -0.0031078800000000, 0.0000000000000000, 0.0000587600000000 ] - [ 0.0003300300000000, 0.0000000000000000, 0.0000179300000000 ] - [ -0.0016441600000000, 0.0000000000000000, -0.0000032900000000 ] - [ -0.0001295200000000, 0.0000000000000000, -0.0000462300000000 ] - [ -0.0000356200000000, 0.0000000000000000, -0.0000473400000000 ] - [ -0.0001298300000000, 0.0000000000000000, 0.0000225300000000 ] - [ -0.0000359200000000, 0.0000000000000000, 0.0000057500000000 ] - [ 0.0000876000000000, 0.0000000000000000, -0.0000553700000000 ] - [ 0.0000356500000000, 0.0000000000000000, -0.0000769700000000 ] - [ 0.0000880200000000, 0.0000000000000000, 0.0000596700000000 ] - [ 0.0000358900000000, 0.0000000000000000, 0.0000294700000000 ]- atom: 113 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0002289700000000, -0.0025240100000000, -0.0029655000000000 ] - [ 0.0001215000000000, -0.0001008800000000, -0.0000473200000000 ] - [ 0.0002006400000000, 0.0001415600000000, -0.0002015800000000 ] - [ -0.0000354100000000, -0.0000853200000000, 0.0000660900000000 ] - [ -0.0002289700000000, 0.0025240100000000, -0.0029655000000000 ] - [ 0.0001215000000000, 0.0001008800000000, -0.0000473200000000 ] - [ 0.0002006400000000, -0.0001415600000000, -0.0002015800000000 ] - [ -0.0000354100000000, 0.0000853200000000, 0.0000660900000000 ] - [ 0.0001771200000000, 0.0005021200000000, 0.0010105800000000 ] - [ 0.0000088200000000, -0.0001413900000000, 0.0000376700000000 ] - [ 0.0001444600000000, -0.0002576900000000, -0.0001315800000000 ] - [ -0.0000160100000000, -0.0000540900000000, -0.0001162500000000 ] - [ 0.0001771200000000, -0.0005021200000000, 0.0010105800000000 ] - [ 0.0000088200000000, 0.0001413900000000, 0.0000376700000000 ] - [ 0.0001444600000000, 0.0002576900000000, -0.0001315800000000 ] - [ -0.0000160100000000, 0.0000540900000000, -0.0001162500000000 ] - [ -0.0664182000000000, 0.0000000000000000, 0.0426752600000000 ] - [ 0.0007332800000000, 0.0000000000000000, -0.0012571200000000 ] - [ -0.0000449000000000, 0.0000000000000000, 0.0018298400000000 ] - [ -0.0002205500000000, 0.0000000000000000, -0.0003295200000000 ] - [ 0.0004922200000000, -0.0000165200000000, 0.0001263900000000 ] - [ 0.0000557300000000, -0.0000596200000000, -0.0000114600000000 ] - [ 0.0000103100000000, 0.0000036100000000, -0.0000040500000000 ] - [ 0.0000171200000000, -0.0000567300000000, -0.0000126500000000 ] - [ 0.0004922200000000, 0.0000165200000000, 0.0001263900000000 ] - [ 0.0000557300000000, 0.0000596200000000, -0.0000114600000000 ] - [ 0.0000103100000000, -0.0000036100000000, -0.0000040500000000 ] - [ 0.0000171200000000, 0.0000567300000000, -0.0000126500000000 ] - [ -0.0204876600000000, 0.0000000000000000, 0.0124670800000000 ] - [ -0.0063234700000000, 0.0000000000000000, -0.0103267900000000 ] - [ -0.0001034200000000, 0.0000000000000000, 0.0002219900000000 ] - [ -0.0012468000000000, 0.0000000000000000, 0.0000905200000000 ] - [ -0.0000543800000000, 0.0003121400000000, 0.0003557200000000 ] - [ -0.0000040500000000, 0.0000448600000000, 0.0001196100000000 ] - [ 0.0003501800000000, -0.0000891600000000, -0.0000131900000000 ] - [ -0.0000658100000000, -0.0000549400000000, -0.0000776200000000 ] - [ -0.0003735800000000, 0.0000070300000000, 0.0001197800000000 ] - [ -0.0000509000000000, -0.0000428000000000, -0.0000212100000000 ] - [ 0.0000030300000000, 0.0000153200000000, -0.0000108000000000 ] - [ -0.0000655600000000, 0.0001447800000000, -0.0000123100000000 ] - [ -0.0000454500000000, 0.0003456000000000, -0.0004089300000000 ] - [ -0.0000504500000000, 0.0000726100000000, -0.0001376000000000 ] - [ 0.0003074300000000, -0.0000965100000000, 0.0000491100000000 ] - [ -0.0000737200000000, -0.0000261200000000, 0.0000663700000000 ] - [ -0.0000543800000000, -0.0003121400000000, 0.0003557200000000 ] - [ -0.0000040500000000, -0.0000448600000000, 0.0001196100000000 ] - [ 0.0003501800000000, 0.0000891600000000, -0.0000131900000000 ] - [ -0.0000658100000000, 0.0000549400000000, -0.0000776200000000 ] - [ -0.0003735800000000, -0.0000070300000000, 0.0001197800000000 ] - [ -0.0000509000000000, 0.0000428000000000, -0.0000212100000000 ] - [ 0.0000030300000000, -0.0000153200000000, -0.0000108000000000 ] - [ -0.0000655600000000, -0.0001447800000000, -0.0000123100000000 ] - [ -0.0212796500000000, 0.0000000000000000, -0.0135505700000000 ] - [ -0.0060622800000000, 0.0000000000000000, 0.0105633800000000 ] - [ -0.0001277200000000, 0.0000000000000000, -0.0001837700000000 ] - [ -0.0012449300000000, 0.0000000000000000, -0.0000444000000000 ] - [ -0.0000454500000000, -0.0003456000000000, -0.0004089300000000 ] - [ -0.0000504500000000, -0.0000726100000000, -0.0001376000000000 ] - [ 0.0003074300000000, 0.0000965100000000, 0.0000491100000000 ] - [ -0.0000737200000000, 0.0000261200000000, 0.0000663700000000 ] - [ -0.0702214000000000, 0.0000000000000000, -0.0540910500000000 ] - [ 0.0005984600000000, 0.0000000000000000, 0.0013061800000000 ] - [ 0.0000952000000000, 0.0000000000000000, -0.0019047700000000 ] - [ -0.0002920600000000, 0.0000000000000000, 0.0004427500000000 ] - [ 0.0000526200000000, 0.0000000000000000, 0.0001760200000000 ] - [ -0.0000248400000000, 0.0000000000000000, 0.0000427800000000 ] - [ 0.0000225000000000, 0.0000000000000000, -0.0000253400000000 ] - [ -0.0000147400000000, 0.0000000000000000, -0.0000226500000000 ] - [ 0.0038655400000000, -0.0016691500000000, 0.0012043800000000 ] - [ -0.0004927700000000, -0.0002156600000000, -0.0001226400000000 ] - [ 0.0047687900000000, -0.0024190500000000, -0.0014217100000000 ] - [ -0.0005410500000000, -0.0002235900000000, 0.0001423100000000 ] - [ 0.0038655400000000, 0.0016691500000000, 0.0012043800000000 ] - [ -0.0004927700000000, 0.0002156600000000, -0.0001226400000000 ] - [ 0.0047687900000000, 0.0024190500000000, -0.0014217100000000 ] - [ -0.0005410500000000, 0.0002235900000000, 0.0001423100000000 ] - [ -0.0000691400000000, 0.0000000000000000, -0.0001980700000000 ] - [ -0.0000001200000000, 0.0000000000000000, 0.0001105400000000 ] - [ -0.0000725600000000, 0.0000000000000000, 0.0000514800000000 ] - [ -0.0000124200000000, 0.0000000000000000, 0.0001711500000000 ] - [ -0.0037830500000000, 0.0012056600000000, 0.0038277200000000 ] - [ 0.0005474400000000, 0.0018048000000000, 0.0006022000000000 ] - [ -0.0011265500000000, 0.0001445000000000, 0.0009034000000000 ] - [ -0.0000636200000000, -0.0003096300000000, 0.0000509400000000 ] - [ -0.0011566500000000, 0.0009269800000000, -0.0021080500000000 ] - [ -0.0013813400000000, -0.0011413400000000, -0.0005064100000000 ] - [ -0.0014421800000000, 0.0011357000000000, 0.0026132300000000 ] - [ -0.0013610400000000, -0.0009859700000000, 0.0003567300000000 ] - [ -0.0032730400000000, 0.0007236900000000, -0.0033873900000000 ] - [ 0.0004933600000000, 0.0015944400000000, -0.0004854700000000 ] - [ -0.0013815500000000, 0.0002058100000000, -0.0009492500000000 ] - [ -0.0000277200000000, -0.0002990800000000, -0.0000284700000000 ] - [ -0.0037830500000000, -0.0012056600000000, 0.0038277200000000 ] - [ 0.0005474400000000, -0.0018048000000000, 0.0006022000000000 ] - [ -0.0011265500000000, -0.0001445000000000, 0.0009034000000000 ] - [ -0.0000636200000000, 0.0003096300000000, 0.0000509400000000 ] - [ -0.0011566500000000, -0.0009269800000000, -0.0021080500000000 ] - [ -0.0013813400000000, 0.0011413400000000, -0.0005064100000000 ] - [ -0.0014421800000000, -0.0011357000000000, 0.0026132300000000 ] - [ -0.0013610400000000, 0.0009859700000000, 0.0003567300000000 ] - [ -0.0000409000000000, 0.0000000000000000, 0.0002231100000000 ] - [ 0.0000213000000000, 0.0000000000000000, -0.0000859700000000 ] - [ -0.0000194000000000, 0.0000000000000000, -0.0000107600000000 ] - [ 0.0000375400000000, 0.0000000000000000, -0.0001220700000000 ] - [ -0.0032730400000000, -0.0007236900000000, -0.0033873900000000 ] - [ 0.0004933600000000, -0.0015944400000000, -0.0004854700000000 ] - [ -0.0013815500000000, -0.0002058100000000, -0.0009492500000000 ] - [ -0.0000277200000000, 0.0002990800000000, -0.0000284700000000 ] - [ 0.0000985400000000, 0.0000000000000000, -0.0001561500000000 ] - [ -0.0000341100000000, 0.0000000000000000, -0.0000041400000000 ] - [ 0.0000639000000000, 0.0000000000000000, 0.0000446500000000 ] - [ 0.0000435600000000, 0.0000000000000000, 0.0000890400000000 ] - [ 0.5692991200000000, 0.0000000000000000, 0.0157095100000000 ] - [ 0.0003489000000000, 0.0000000000000000, 0.0000164000000000 ] - [ 0.0018690700000000, 0.0000000000000000, 0.0000081400000000 ] - [ -0.0002769300000000, 0.0000000000000000, -0.0000328400000000 ] - [ -0.3719702700000000, 0.0000000000000000, -0.0005181500000000 ] - [ 0.0030652200000000, 0.0000000000000000, -0.0000882200000000 ] - [ -0.0003743800000000, 0.0000000000000000, -0.0000494900000000 ] - [ 0.0016129900000000, 0.0000000000000000, -0.0000289000000000 ] - [ 0.0001756200000000, 0.0000000000000000, 0.0000123300000000 ] - [ 0.0000812700000000, 0.0000000000000000, 0.0000142900000000 ] - [ 0.0001753400000000, 0.0000000000000000, -0.0000542000000000 ] - [ 0.0000810200000000, 0.0000000000000000, -0.0000388500000000 ] - [ -0.0001336200000000, 0.0000000000000000, 0.0000231500000000 ] - [ -0.0000817600000000, 0.0000000000000000, 0.0000451700000000 ] - [ -0.0001332800000000, 0.0000000000000000, -0.0000909100000000 ] - [ -0.0000815900000000, 0.0000000000000000, -0.0000616400000000 ]- atom: 113 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0029085000000000, 0.0095183100000000, 0.0063586700000000 ] - [ 0.0001665200000000, -0.0000345600000000, 0.0001002500000000 ] - [ -0.0001817100000000, -0.0001285900000000, 0.0001221900000000 ] - [ 0.0000940400000000, -0.0001008800000000, 0.0000259400000000 ] - [ -0.0027835200000000, 0.0092520500000000, -0.0060293100000000 ] - [ -0.0001590700000000, 0.0000974500000000, -0.0000990200000000 ] - [ 0.0001765500000000, 0.0000056900000000, -0.0001209000000000 ] - [ -0.0000909200000000, 0.0000317100000000, -0.0000227900000000 ] - [ 0.0003087600000000, -0.0007448700000000, -0.0008252800000000 ] - [ -0.0001911900000000, -0.0002352600000000, 0.0001186700000000 ] - [ 0.0001615400000000, -0.0002368600000000, 0.0001496400000000 ] - [ -0.0001662700000000, -0.0001987100000000, 0.0000742300000000 ] - [ -0.0003220100000000, -0.0006207600000000, 0.0008352500000000 ] - [ 0.0001986200000000, -0.0001035600000000, -0.0001156900000000 ] - [ -0.0001677400000000, -0.0001025500000000, -0.0001491700000000 ] - [ 0.0001723500000000, -0.0000675000000000, -0.0000712400000000 ] - [ 0.0001852400000000, 0.0442537900000000, -0.0001953000000000 ] - [ 0.0000062400000000, -0.0005880000000000, 0.0000243800000000 ] - [ -0.0000065200000000, 0.0019816800000000, 0.0000232000000000 ] - [ -0.0000115100000000, -0.0002456300000000, 0.0000265000000000 ] - [ 0.0006194800000000, 0.0003588600000000, 0.0001142300000000 ] - [ 0.0000151700000000, 0.0000297500000000, -0.0000043500000000 ] - [ -0.0001242200000000, 0.0000348100000000, -0.0000109100000000 ] - [ 0.0000432100000000, -0.0000241600000000, -0.0000077100000000 ] - [ -0.0006277400000000, 0.0003867600000000, -0.0001265800000000 ] - [ -0.0000239600000000, 0.0000514700000000, -0.0000103200000000 ] - [ 0.0001105000000000, 0.0000536700000000, -0.0000037700000000 ] - [ -0.0000525100000000, -0.0000018400000000, -0.0000077200000000 ] - [ -0.0000331100000000, -0.0057654000000000, -0.0000100700000000 ] - [ -0.0000162700000000, 0.0020149300000000, 0.0000115800000000 ] - [ -0.0000296100000000, -0.0004287800000000, 0.0000187000000000 ] - [ -0.0000331700000000, 0.0006735800000000, 0.0000154400000000 ] - [ -0.0002059200000000, -0.0002277500000000, -0.0000045700000000 ] - [ 0.0000642300000000, 0.0000454500000000, -0.0000887300000000 ] - [ 0.0002286200000000, -0.0002221500000000, -0.0002539200000000 ] - [ 0.0000356300000000, 0.0000347500000000, -0.0000061000000000 ] - [ 0.0007299800000000, 0.0002545400000000, -0.0001462500000000 ] - [ -0.0000516600000000, 0.0001581900000000, 0.0000102600000000 ] - [ 0.0000120800000000, 0.0000125800000000, -0.0000053400000000 ] - [ -0.0001699100000000, 0.0001179100000000, -0.0000122800000000 ] - [ -0.0003696200000000, -0.0003519600000000, 0.0000697800000000 ] - [ 0.0000372500000000, 0.0000787900000000, 0.0000788700000000 ] - [ 0.0002140300000000, -0.0001631600000000, 0.0002221900000000 ] - [ 0.0000715100000000, 0.0001093600000000, -0.0000294000000000 ] - [ 0.0001950000000000, -0.0002920500000000, -0.0000042200000000 ] - [ -0.0000650000000000, -0.0000175900000000, 0.0000950900000000 ] - [ -0.0002291600000000, -0.0002937700000000, 0.0002565600000000 ] - [ -0.0000380100000000, -0.0000291600000000, 0.0000076800000000 ] - [ -0.0007221900000000, 0.0002377500000000, 0.0001345000000000 ] - [ 0.0000637800000000, 0.0001401800000000, -0.0000259000000000 ] - [ -0.0000021100000000, -0.0000076000000000, -0.0000095000000000 ] - [ 0.0001827200000000, 0.0000997500000000, -0.0000025900000000 ] - [ 0.0000153200000000, -0.0052279900000000, 0.0000390500000000 ] - [ 0.0000322500000000, 0.0021437200000000, 0.0000221900000000 ] - [ 0.0000157600000000, -0.0001175800000000, 0.0000222300000000 ] - [ 0.0000107900000000, 0.0004892100000000, 0.0000211300000000 ] - [ 0.0003616500000000, -0.0004500600000000, -0.0000755000000000 ] - [ -0.0000378300000000, -0.0000140400000000, -0.0001011500000000 ] - [ -0.0002134500000000, -0.0002641600000000, -0.0002406600000000 ] - [ -0.0000728800000000, 0.0000139100000000, 0.0000126100000000 ] - [ 0.0002718200000000, 0.0408896700000000, 0.0003321100000000 ] - [ 0.0000491700000000, -0.0005153600000000, 0.0000155400000000 ] - [ 0.0000391700000000, 0.0023360500000000, 0.0000135700000000 ] - [ 0.0000334600000000, -0.0002065500000000, 0.0000108600000000 ] - [ -0.0000097400000000, -0.0000869500000000, 0.0000263600000000 ] - [ -0.0000114100000000, -0.0000469300000000, 0.0000236900000000 ] - [ -0.0000118000000000, -0.0000440900000000, 0.0000244500000000 ] - [ -0.0000112100000000, 0.0000084100000000, 0.0000245300000000 ] - [ 0.0036116700000000, 0.0005018500000000, 0.0038876400000000 ] - [ -0.0000575000000000, -0.0000070900000000, 0.0001440300000000 ] - [ 0.0040388800000000, 0.0006403700000000, -0.0040228700000000 ] - [ -0.0001092300000000, -0.0000595000000000, -0.0002652400000000 ] - [ -0.0036520700000000, 0.0005118400000000, -0.0039227200000000 ] - [ 0.0000529600000000, -0.0000010100000000, -0.0001599800000000 ] - [ -0.0040911100000000, 0.0006481600000000, 0.0040249700000000 ] - [ 0.0001074900000000, -0.0000578900000000, 0.0002501000000000 ] - [ -0.0000347200000000, 0.0000630800000000, 0.0000136500000000 ] - [ -0.0000340300000000, -0.0002070400000000, 0.0000107300000000 ] - [ -0.0000347400000000, -0.0000194200000000, 0.0000128300000000 ] - [ -0.0000335400000000, 0.0000104200000000, 0.0000127700000000 ] - [ -0.0041739200000000, -0.0011146600000000, 0.0075492200000000 ] - [ 0.0001926300000000, 0.0004080900000000, -0.0002507900000000 ] - [ -0.0012648900000000, 0.0004683700000000, -0.0010168400000000 ] - [ -0.0001292500000000, -0.0001102100000000, 0.0001877900000000 ] - [ -0.0004146200000000, -0.0002425400000000, 0.0005381100000000 ] - [ -0.0003039900000000, 0.0013336600000000, -0.0017317600000000 ] - [ -0.0007253100000000, -0.0000699700000000, -0.0009804600000000 ] - [ -0.0002710600000000, 0.0013891200000000, 0.0016016400000000 ] - [ -0.0043266000000000, -0.0008583500000000, -0.0071035700000000 ] - [ 0.0000795600000000, 0.0004192500000000, 0.0001177300000000 ] - [ -0.0012030900000000, 0.0003642400000000, 0.0011012400000000 ] - [ -0.0002060400000000, 0.0001620900000000, -0.0002334700000000 ] - [ 0.0041416900000000, -0.0012052600000000, -0.0074997500000000 ] - [ -0.0001947800000000, 0.0003290800000000, 0.0002248900000000 ] - [ 0.0012505100000000, 0.0003959100000000, 0.0010045800000000 ] - [ 0.0001164900000000, -0.0001740300000000, -0.0001799400000000 ] - [ 0.0004110700000000, -0.0002551500000000, -0.0005685300000000 ] - [ 0.0003177700000000, 0.0012985900000000, 0.0017127100000000 ] - [ 0.0007120000000000, -0.0000790900000000, 0.0009765400000000 ] - [ 0.0002848400000000, 0.0013543800000000, -0.0016110400000000 ] - [ 0.0000105100000000, -0.0000328100000000, 0.0000245400000000 ] - [ 0.0000094300000000, -0.0001081400000000, 0.0000262200000000 ] - [ 0.0000109900000000, -0.0000154700000000, 0.0000244500000000 ] - [ 0.0000120300000000, 0.0000121800000000, 0.0000249400000000 ] - [ 0.0042847800000000, -0.0009832800000000, 0.0070381600000000 ] - [ -0.0000840300000000, 0.0003144200000000, -0.0001136500000000 ] - [ 0.0011906100000000, 0.0002615900000000, -0.0011010000000000 ] - [ 0.0001914000000000, 0.0000661700000000, 0.0002058900000000 ] - [ 0.0000359100000000, 0.0001813700000000, 0.0000112900000000 ] - [ 0.0000343400000000, 0.0000191700000000, 0.0000137900000000 ] - [ 0.0000338100000000, -0.0000557000000000, 0.0000132400000000 ] - [ 0.0000343700000000, 0.0000137200000000, 0.0000127700000000 ] - [ 0.0006160700000000, -0.1456648200000000, -0.0004096000000000 ] - [ 0.0000225600000000, 0.0000447400000000, -0.0000158200000000 ] - [ 0.0000205300000000, -0.0007236800000000, -0.0000164200000000 ] - [ 0.0000206900000000, 0.0005427200000000, -0.0000152400000000 ] - [ -0.0010106000000000, 0.0431017400000000, -0.0000401700000000 ] - [ -0.0000297900000000, 0.0003682800000000, -0.0000160900000000 ] - [ -0.0000259800000000, -0.0000125400000000, -0.0000152200000000 ] - [ -0.0000241800000000, -0.0020705100000000, -0.0000162000000000 ] - [ 0.0000257300000000, 0.0003303400000000, -0.0000157300000000 ] - [ 0.0000253000000000, 0.0000313000000000, -0.0000155800000000 ] - [ 0.0000258300000000, 0.0003303600000000, -0.0000167600000000 ] - [ 0.0000249600000000, 0.0000318900000000, -0.0000162100000000 ] - [ -0.0000256100000000, 0.0001137500000000, -0.0000151100000000 ] - [ -0.0000246200000000, 0.0001218700000000, -0.0000157000000000 ] - [ -0.0000260500000000, 0.0001137700000000, -0.0000157400000000 ] - [ -0.0000240100000000, 0.0001223700000000, -0.0000151000000000 ]- atom: 113 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0023163000000000, 0.0053479700000000, 0.0035971300000000 ] - [ -0.0001767200000000, -0.0001294000000000, 0.0000290800000000 ] - [ 0.0000792400000000, 0.0000364200000000, -0.0001013300000000 ] - [ 0.0000557900000000, -0.0000292100000000, -0.0000495000000000 ] - [ 0.0023163000000000, -0.0053479700000000, 0.0035971300000000 ] - [ -0.0001767200000000, 0.0001294000000000, 0.0000290800000000 ] - [ 0.0000792400000000, -0.0000364200000000, -0.0001013300000000 ] - [ 0.0000557900000000, 0.0000292100000000, -0.0000495000000000 ] - [ -0.0003348900000000, 0.0000543700000000, 0.0001414800000000 ] - [ 0.0002521300000000, -0.0000914600000000, 0.0000292800000000 ] - [ -0.0000865000000000, 0.0001581900000000, -0.0001640700000000 ] - [ -0.0000405800000000, -0.0000206500000000, -0.0000337500000000 ] - [ -0.0003348900000000, -0.0000543700000000, 0.0001414800000000 ] - [ 0.0002521300000000, 0.0000914600000000, 0.0000292800000000 ] - [ -0.0000865000000000, -0.0001581900000000, -0.0001640700000000 ] - [ -0.0000405800000000, 0.0000206500000000, -0.0000337500000000 ] - [ -0.0415570700000000, 0.0000000000000000, 0.1275872500000000 ] - [ -0.0002757300000000, 0.0000000000000000, 0.0025223700000000 ] - [ 0.0000754100000000, 0.0000000000000000, 0.0010493500000000 ] - [ -0.0003229900000000, 0.0000000000000000, -0.0000213800000000 ] - [ -0.0000879600000000, 0.0000046100000000, 0.0000592100000000 ] - [ 0.0000059700000000, 0.0000025600000000, -0.0000519400000000 ] - [ -0.0000225900000000, -0.0000126500000000, -0.0000213900000000 ] - [ -0.0000023900000000, -0.0000109100000000, 0.0000418500000000 ] - [ -0.0000879600000000, -0.0000046100000000, 0.0000592100000000 ] - [ 0.0000059700000000, -0.0000025600000000, -0.0000519400000000 ] - [ -0.0000225900000000, 0.0000126500000000, -0.0000213900000000 ] - [ -0.0000023900000000, 0.0000109100000000, 0.0000418500000000 ] - [ -0.0191209100000000, 0.0000000000000000, -0.0012023700000000 ] - [ 0.0031491300000000, 0.0000000000000000, -0.0023220900000000 ] - [ -0.0001031500000000, 0.0000000000000000, -0.0005713600000000 ] - [ 0.0003650500000000, 0.0000000000000000, 0.0007980700000000 ] - [ -0.0004195500000000, 0.0000196100000000, -0.0001348100000000 ] - [ -0.0000847500000000, -0.0002129200000000, 0.0000702500000000 ] - [ -0.0001002400000000, -0.0001373400000000, -0.0001953500000000 ] - [ -0.0000181600000000, 0.0001970300000000, 0.0000950400000000 ] - [ 0.0000506300000000, 0.0001362200000000, -0.0000784500000000 ] - [ 0.0000258900000000, 0.0000367000000000, -0.0001015300000000 ] - [ 0.0000031800000000, 0.0000192600000000, 0.0000237700000000 ] - [ 0.0000141700000000, 0.0000200900000000, 0.0000042000000000 ] - [ 0.0005078500000000, 0.0001341900000000, -0.0001453400000000 ] - [ 0.0001618800000000, 0.0001987600000000, 0.0000835000000000 ] - [ 0.0000924200000000, 0.0002141400000000, -0.0002021000000000 ] - [ 0.0000044800000000, -0.0001363500000000, 0.0000797600000000 ] - [ -0.0004195500000000, -0.0000196100000000, -0.0001348100000000 ] - [ -0.0000847500000000, 0.0002129200000000, 0.0000702500000000 ] - [ -0.0001002400000000, 0.0001373400000000, -0.0001953500000000 ] - [ -0.0000181600000000, -0.0001970300000000, 0.0000950400000000 ] - [ 0.0000506300000000, -0.0001362200000000, -0.0000784500000000 ] - [ 0.0000258900000000, -0.0000367000000000, -0.0001015300000000 ] - [ 0.0000031800000000, -0.0000192600000000, 0.0000237700000000 ] - [ 0.0000141700000000, -0.0000200900000000, 0.0000042000000000 ] - [ 0.0200111500000000, 0.0000000000000000, -0.0001261600000000 ] - [ -0.0034326500000000, 0.0000000000000000, -0.0022220300000000 ] - [ 0.0001228200000000, 0.0000000000000000, -0.0006348700000000 ] - [ -0.0002144200000000, 0.0000000000000000, 0.0006592400000000 ] - [ 0.0005078500000000, -0.0001341900000000, -0.0001453400000000 ] - [ 0.0001618800000000, -0.0001987600000000, 0.0000835000000000 ] - [ 0.0000924200000000, -0.0002141400000000, -0.0002021000000000 ] - [ 0.0000044800000000, 0.0001363500000000, 0.0000797600000000 ] - [ 0.0497930900000000, 0.0000000000000000, 0.1371391700000000 ] - [ 0.0004627200000000, 0.0000000000000000, 0.0024229200000000 ] - [ 0.0000099000000000, 0.0000000000000000, 0.0010757300000000 ] - [ 0.0002527900000000, 0.0000000000000000, -0.0001312100000000 ] - [ -0.0000762600000000, 0.0000000000000000, 0.0000309800000000 ] - [ 0.0000380400000000, 0.0000000000000000, -0.0000689700000000 ] - [ -0.0000255300000000, 0.0000000000000000, 0.0000111300000000 ] - [ -0.0000246400000000, 0.0000000000000000, 0.0000802900000000 ] - [ 0.0013911800000000, -0.0001904900000000, 0.0089247600000000 ] - [ -0.0004885400000000, -0.0001959800000000, 0.0000274500000000 ] - [ -0.0013475700000000, 0.0003216700000000, 0.0095546000000000 ] - [ 0.0005746900000000, 0.0002560200000000, -0.0000822400000000 ] - [ 0.0013911800000000, 0.0001904900000000, 0.0089247600000000 ] - [ -0.0004885400000000, 0.0001959800000000, 0.0000274500000000 ] - [ -0.0013475700000000, -0.0003216700000000, 0.0095546000000000 ] - [ 0.0005746900000000, -0.0002560200000000, -0.0000822400000000 ] - [ -0.0000387000000000, 0.0000000000000000, 0.0000444100000000 ] - [ -0.0000466100000000, 0.0000000000000000, 0.0002110600000000 ] - [ -0.0000214100000000, 0.0000000000000000, 0.0000268300000000 ] - [ -0.0000479200000000, 0.0000000000000000, 0.0000619400000000 ] - [ -0.0018272700000000, 0.0022367200000000, 0.0020051600000000 ] - [ 0.0001870700000000, -0.0006615100000000, 0.0004839600000000 ] - [ -0.0012705700000000, 0.0007681700000000, 0.0004308500000000 ] - [ -0.0004818600000000, -0.0003439300000000, 0.0000683700000000 ] - [ 0.0007290300000000, 0.0001166700000000, -0.0009982300000000 ] - [ -0.0006581800000000, -0.0001392000000000, -0.0006280100000000 ] - [ -0.0012639300000000, -0.0001402600000000, -0.0012807800000000 ] - [ 0.0007364000000000, 0.0000395300000000, -0.0006844600000000 ] - [ 0.0014417500000000, -0.0017286900000000, 0.0016018200000000 ] - [ -0.0001990500000000, 0.0008109000000000, 0.0007568800000000 ] - [ 0.0013639500000000, -0.0006039000000000, 0.0003109400000000 ] - [ 0.0003762800000000, 0.0004304100000000, -0.0000196700000000 ] - [ -0.0018272700000000, -0.0022367200000000, 0.0020051600000000 ] - [ 0.0001870700000000, 0.0006615100000000, 0.0004839600000000 ] - [ -0.0012705700000000, -0.0007681700000000, 0.0004308500000000 ] - [ -0.0004818600000000, 0.0003439300000000, 0.0000683700000000 ] - [ 0.0007290300000000, -0.0001166700000000, -0.0009982300000000 ] - [ -0.0006581800000000, 0.0001392000000000, -0.0006280100000000 ] - [ -0.0012639300000000, 0.0001402600000000, -0.0012807800000000 ] - [ 0.0007364000000000, -0.0000395300000000, -0.0006844600000000 ] - [ -0.0000191800000000, 0.0000000000000000, -0.0000488300000000 ] - [ -0.0000419700000000, 0.0000000000000000, 0.0002508100000000 ] - [ -0.0000007600000000, 0.0000000000000000, 0.0000425100000000 ] - [ 0.0000373200000000, 0.0000000000000000, 0.0000725300000000 ] - [ 0.0014417500000000, 0.0017286900000000, 0.0016018200000000 ] - [ -0.0001990500000000, -0.0008109000000000, 0.0007568800000000 ] - [ 0.0013639500000000, 0.0006039000000000, 0.0003109400000000 ] - [ 0.0003762800000000, -0.0004304100000000, -0.0000196700000000 ] - [ 0.0001517300000000, 0.0000000000000000, 0.0000387400000000 ] - [ 0.0000243200000000, 0.0000000000000000, -0.0000917100000000 ] - [ 0.0000565800000000, 0.0000000000000000, 0.0000159000000000 ] - [ 0.0000457300000000, 0.0000000000000000, 0.0000588900000000 ] - [ -0.0101689400000000, 0.0000000000000000, -0.3886514800000000 ] - [ -0.0000108100000000, 0.0000000000000000, 0.0001641100000000 ] - [ -0.0000064200000000, 0.0000000000000000, 0.0018692900000000 ] - [ 0.0000317900000000, 0.0000000000000000, 0.0006369900000000 ] - [ -0.0017940500000000, 0.0000000000000000, 0.0717806200000000 ] - [ -0.0000879200000000, 0.0000000000000000, 0.0015301400000000 ] - [ -0.0000580900000000, 0.0000000000000000, 0.0000792400000000 ] - [ -0.0000299900000000, 0.0000000000000000, -0.0007890900000000 ] - [ 0.0000620100000000, 0.0000000000000000, -0.0000723900000000 ] - [ 0.0000448200000000, 0.0000000000000000, -0.0000544500000000 ] - [ -0.0000057400000000, 0.0000000000000000, -0.0000720700000000 ] - [ -0.0000090400000000, 0.0000000000000000, -0.0000547900000000 ] - [ -0.0000985200000000, 0.0000000000000000, -0.0000444400000000 ] - [ -0.0000684300000000, 0.0000000000000000, 0.0000363600000000 ] - [ 0.0000165000000000, 0.0000000000000000, -0.0000452800000000 ] - [ 0.0000390200000000, 0.0000000000000000, 0.0000353400000000 ]- atom: 113 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0022911200000000, -0.0053778800000000, -0.0036049300000000 ] - [ 0.0001762900000000, 0.0000036300000000, -0.0000283300000000 ] - [ -0.0000796700000000, -0.0001583000000000, 0.0001004000000000 ] - [ -0.0000582200000000, -0.0000983000000000, 0.0000500000000000 ] - [ -0.0022911200000000, 0.0053778800000000, -0.0036049300000000 ] - [ 0.0001762900000000, -0.0000036300000000, -0.0000283300000000 ] - [ -0.0000796700000000, 0.0001583000000000, 0.0001004000000000 ] - [ -0.0000582200000000, 0.0000983000000000, 0.0000500000000000 ] - [ 0.0003398700000000, -0.0001811100000000, -0.0001336600000000 ] - [ -0.0002574900000000, -0.0000394400000000, -0.0000246800000000 ] - [ 0.0000849700000000, -0.0002849500000000, 0.0001619200000000 ] - [ 0.0000392000000000, -0.0001067300000000, 0.0000334100000000 ] - [ 0.0003398700000000, 0.0001811100000000, -0.0001336600000000 ] - [ -0.0002574900000000, 0.0000394400000000, -0.0000246800000000 ] - [ 0.0000849700000000, 0.0002849500000000, 0.0001619200000000 ] - [ 0.0000392000000000, 0.0001067300000000, 0.0000334100000000 ] - [ 0.0374958900000000, 0.0000000000000000, -0.1219133800000000 ] - [ 0.0002584300000000, 0.0000000000000000, -0.0024665400000000 ] - [ -0.0001165500000000, 0.0000000000000000, -0.0010510200000000 ] - [ 0.0003039800000000, 0.0000000000000000, 0.0000706900000000 ] - [ 0.0000759500000000, -0.0000350200000000, -0.0000745100000000 ] - [ -0.0000190400000000, -0.0000268700000000, 0.0000373700000000 ] - [ 0.0000105100000000, -0.0000116700000000, 0.0000084300000000 ] - [ -0.0000105300000000, -0.0000140800000000, -0.0000554500000000 ] - [ 0.0000759500000000, 0.0000350200000000, -0.0000745100000000 ] - [ -0.0000190400000000, 0.0000268700000000, 0.0000373700000000 ] - [ 0.0000105100000000, 0.0000116700000000, 0.0000084300000000 ] - [ -0.0000105300000000, 0.0000140800000000, -0.0000554500000000 ] - [ 0.0191010100000000, 0.0000000000000000, 0.0012801700000000 ] - [ -0.0032666600000000, 0.0000000000000000, 0.0023812800000000 ] - [ 0.0000276100000000, 0.0000000000000000, 0.0005900800000000 ] - [ -0.0004204400000000, 0.0000000000000000, -0.0007768500000000 ] - [ 0.0004246500000000, 0.0000522700000000, 0.0001451800000000 ] - [ 0.0000861300000000, 0.0002842900000000, -0.0000658200000000 ] - [ 0.0001024200000000, 0.0002049100000000, 0.0001936800000000 ] - [ 0.0000173100000000, -0.0001262500000000, -0.0000937400000000 ] - [ -0.0000380600000000, -0.0001103800000000, 0.0000644900000000 ] - [ -0.0000156300000000, -0.0000158400000000, 0.0000878700000000 ] - [ 0.0000102100000000, 0.0000052200000000, -0.0000371200000000 ] - [ -0.0000032800000000, 0.0000062100000000, -0.0000178400000000 ] - [ -0.0005058500000000, -0.0000300000000000, 0.0001238300000000 ] - [ -0.0001590800000000, -0.0000966600000000, -0.0001018500000000 ] - [ -0.0000894200000000, -0.0001191700000000, 0.0001885300000000 ] - [ -0.0000053500000000, 0.0002357300000000, -0.0000965600000000 ] - [ 0.0004246500000000, -0.0000522700000000, 0.0001451800000000 ] - [ 0.0000861300000000, -0.0002842900000000, -0.0000658200000000 ] - [ 0.0001024200000000, -0.0002049100000000, 0.0001936800000000 ] - [ 0.0000173100000000, 0.0001262500000000, -0.0000937400000000 ] - [ -0.0000380600000000, 0.0001103800000000, 0.0000644900000000 ] - [ -0.0000156300000000, 0.0000158400000000, 0.0000878700000000 ] - [ 0.0000102100000000, -0.0000052200000000, -0.0000371200000000 ] - [ -0.0000032800000000, -0.0000062100000000, -0.0000178400000000 ] - [ -0.0199282400000000, 0.0000000000000000, 0.0000998400000000 ] - [ 0.0033974900000000, 0.0000000000000000, 0.0022701800000000 ] - [ -0.0001063400000000, 0.0000000000000000, 0.0006873400000000 ] - [ 0.0002484700000000, 0.0000000000000000, -0.0006051700000000 ] - [ -0.0005058500000000, 0.0000300000000000, 0.0001238300000000 ] - [ -0.0001590800000000, 0.0000966600000000, -0.0001018500000000 ] - [ -0.0000894200000000, 0.0001191700000000, 0.0001885300000000 ] - [ -0.0000053500000000, -0.0002357300000000, -0.0000965600000000 ] - [ -0.0542214200000000, 0.0000000000000000, -0.1432036800000000 ] - [ -0.0003909800000000, 0.0000000000000000, -0.0023968100000000 ] - [ 0.0000389800000000, 0.0000000000000000, -0.0009952300000000 ] - [ -0.0001824800000000, 0.0000000000000000, 0.0001546100000000 ] - [ 0.0000519000000000, 0.0000000000000000, 0.0000191600000000 ] - [ -0.0000642200000000, 0.0000000000000000, 0.0001176200000000 ] - [ 0.0000005000000000, 0.0000000000000000, 0.0000381700000000 ] - [ -0.0000017100000000, 0.0000000000000000, -0.0000323500000000 ] - [ -0.0013951700000000, 0.0001525200000000, -0.0091086600000000 ] - [ 0.0004756000000000, 0.0001777500000000, -0.0000364800000000 ] - [ 0.0013372700000000, -0.0003601000000000, -0.0093771200000000 ] - [ -0.0005848800000000, -0.0002742700000000, 0.0000661300000000 ] - [ -0.0013951700000000, -0.0001525200000000, -0.0091086600000000 ] - [ 0.0004756000000000, -0.0001777500000000, -0.0000364800000000 ] - [ 0.0013372700000000, 0.0003601000000000, -0.0093771200000000 ] - [ -0.0005848800000000, 0.0002742700000000, 0.0000661300000000 ] - [ -0.0000261000000000, 0.0000000000000000, -0.0000203100000000 ] - [ -0.0000179900000000, 0.0000000000000000, -0.0001872100000000 ] - [ -0.0000442500000000, 0.0000000000000000, -0.0000009000000000 ] - [ -0.0000193700000000, 0.0000000000000000, -0.0000361800000000 ] - [ 0.0017930700000000, -0.0021387400000000, -0.0020089000000000 ] - [ -0.0001841400000000, 0.0007416100000000, -0.0004767400000000 ] - [ 0.0013078700000000, -0.0006998100000000, -0.0004258800000000 ] - [ 0.0004802000000000, 0.0004183900000000, -0.0000644900000000 ] - [ -0.0007168600000000, -0.0001032300000000, 0.0009594900000000 ] - [ 0.0006636400000000, 0.0001360100000000, 0.0006275400000000 ] - [ 0.0012669700000000, 0.0001557400000000, 0.0012852800000000 ] - [ -0.0007384500000000, -0.0000445200000000, 0.0006580700000000 ] - [ -0.0014632400000000, 0.0018592500000000, -0.0016031000000000 ] - [ 0.0002022600000000, -0.0007001500000000, -0.0007799700000000 ] - [ -0.0013256500000000, 0.0007050400000000, -0.0003303000000000 ] - [ -0.0003771900000000, -0.0003280400000000, -0.0000003700000000 ] - [ 0.0017930700000000, 0.0021387400000000, -0.0020089000000000 ] - [ -0.0001841400000000, -0.0007416100000000, -0.0004767400000000 ] - [ 0.0013078700000000, 0.0006998100000000, -0.0004258800000000 ] - [ 0.0004802000000000, -0.0004183900000000, -0.0000644900000000 ] - [ -0.0007168600000000, 0.0001032300000000, 0.0009594900000000 ] - [ 0.0006636400000000, -0.0001360100000000, 0.0006275400000000 ] - [ 0.0012669700000000, -0.0001557400000000, 0.0012852800000000 ] - [ -0.0007384500000000, 0.0000445200000000, 0.0006580700000000 ] - [ 0.0000455700000000, 0.0000000000000000, 0.0000991400000000 ] - [ 0.0000690300000000, 0.0000000000000000, -0.0002046600000000 ] - [ 0.0000269000000000, 0.0000000000000000, 0.0000060400000000 ] - [ -0.0000120800000000, 0.0000000000000000, -0.0000227400000000 ] - [ -0.0014632400000000, -0.0018592500000000, -0.0016031000000000 ] - [ 0.0002022600000000, 0.0007001500000000, -0.0007799700000000 ] - [ -0.0013256500000000, -0.0007050400000000, -0.0003303000000000 ] - [ -0.0003771900000000, 0.0003280400000000, -0.0000003700000000 ] - [ -0.0000844200000000, 0.0000000000000000, -0.0000156100000000 ] - [ 0.0000404200000000, 0.0000000000000000, 0.0001164400000000 ] - [ 0.0000102900000000, 0.0000000000000000, 0.0000094000000000 ] - [ 0.0000199200000000, 0.0000000000000000, -0.0000320000000000 ] - [ 0.0211647500000000, 0.0000000000000000, 0.3890343800000000 ] - [ 0.0000553100000000, 0.0000000000000000, -0.0002016100000000 ] - [ 0.0000454000000000, 0.0000000000000000, -0.0019019700000000 ] - [ -0.0000004600000000, 0.0000000000000000, -0.0006708900000000 ] - [ -0.0007350100000000, 0.0000000000000000, -0.0718191400000000 ] - [ 0.0000591600000000, 0.0000000000000000, -0.0015608600000000 ] - [ 0.0000095300000000, 0.0000000000000000, -0.0001117900000000 ] - [ -0.0000044100000000, 0.0000000000000000, 0.0007570200000000 ] - [ -0.0000145300000000, 0.0000000000000000, 0.0000380400000000 ] - [ 0.0000001200000000, 0.0000000000000000, 0.0000210900000000 ] - [ 0.0000526300000000, 0.0000000000000000, 0.0000384600000000 ] - [ 0.0000527200000000, 0.0000000000000000, 0.0000203400000000 ] - [ 0.0000518900000000, 0.0000000000000000, 0.0000124400000000 ] - [ 0.0000228000000000, 0.0000000000000000, -0.0000677300000000 ] - [ -0.0000618900000000, 0.0000000000000000, 0.0000117400000000 ] - [ -0.0000832200000000, 0.0000000000000000, -0.0000691900000000 ]