# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/472b2c25-86e8-4aeb-914a-d97ea0f935dd/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 TiCdO3 / R-3 (148) / materials id 13641](https://mdr.nims.go.jp/datasets/1f1d029f-8c5e-4353-a040-d36ec44f60c6) ## Fulltext phonopy: version: 2.17.1 frequency_unit_conversion_factor: 15.633302 symmetry_tolerance: 1.00000e-05 nac_unit_conversion_factor: 14.399652 configuration: save_params: ".true."physical_unit: atomic_mass: "AMU" length: "angstrom" force_constants: "eV/angstrom^2"space_group: type: "R-3" number: 148 Hall_symbol: "-R 3"primitive_matrix:- [ 0.666666666666667, -0.333333333333333, -0.333333333333333 ]- [ 0.333333333333333, 0.333333333333333, -0.666666666666667 ]- [ 0.333333333333333, 0.333333333333333, 0.333333333333333 ]supercell_matrix:- [ 2, 0, 0 ]- [ 0, 2, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 2.622531846666669, 1.514119466666665, 4.948557869999995 ] # a - [ -2.622531843333331, 1.514119466666665, 4.948557869999995 ] # b - [ -0.000000003333331, -3.028238933333335, 4.948557869999995 ] # c points: - symbol: O # 1 coordinates: [ 0.964224390000000, 0.561942460000003, 0.196195090000000 ] mass: 15.999400 - symbol: O # 2 coordinates: [ 0.196195090000000, 0.964224380000003, 0.561942470000000 ] mass: 15.999400 - symbol: O # 3 coordinates: [ 0.561942470000000, 0.196195080000003, 0.964224390000000 ] mass: 15.999400 - symbol: O # 4 coordinates: [ 0.035775620000000, 0.438057530000002, 0.803804920000000 ] mass: 15.999400 - symbol: O # 5 coordinates: [ 0.438057540000000, 0.803804910000002, 0.035775620000000 ] mass: 15.999400 - symbol: O # 6 coordinates: [ 0.803804920000000, 0.035775610000002, 0.438057540000000 ] mass: 15.999400 - symbol: Ti # 7 coordinates: [ 0.149596700000000, 0.149596710000003, 0.149596700000000 ] mass: 47.867000 - symbol: Ti # 8 coordinates: [ 0.850403300000000, 0.850403300000002, 0.850403300000000 ] mass: 47.867000 - symbol: Cd # 9 coordinates: [ 0.363297740000000, 0.363297730000002, 0.363297740000000 ] mass: 112.411000 - symbol: Cd # 10 coordinates: [ 0.636702260000000, 0.636702250000003, 0.636702260000000 ] mass: 112.411000 reciprocal_lattice: # without 2pi - [ 0.190655454176191, 0.110074977581409, 0.067359691871873 ] # a* - [ -0.190655454176191, 0.110074978001136, 0.067359691871873 ] # b* - [ -0.000000000000000, -0.220149955582545, 0.067359691871873 ] # c*unit_cell: lattice: - [ 5.245063690000000, 0.000000000000000, 0.000000000000000 ] # a - [ -2.622531840000000, 4.542358400000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 14.845673610000000 ] # c points: - symbol: O # 1 coordinates: [ 0.056770410000000, 0.711258890000000, 0.907453980000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 2 coordinates: [ 0.288741110000000, 0.345511510000000, 0.907453980000000 ] mass: 15.999400 reduced_to: 2 - symbol: O # 3 coordinates: [ 0.654488490000000, 0.943229590000000, 0.907453980000000 ] mass: 15.999400 reduced_to: 3 - symbol: O # 4 coordinates: [ 0.276562930000000, 0.955407770000000, 0.759212690000000 ] mass: 15.999400 reduced_to: 4 - symbol: O # 5 coordinates: [ 0.678844850000000, 0.723437070000000, 0.759212690000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 6 coordinates: [ 0.044592230000000, 0.321155150000000, 0.759212690000000 ] mass: 15.999400 reduced_to: 6 - symbol: O # 7 coordinates: [ 0.723437070000000, 0.044592230000000, 0.240787310000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 8 coordinates: [ 0.955407770000000, 0.678844850000000, 0.240787310000000 ] mass: 15.999400 reduced_to: 2 - symbol: O # 9 coordinates: [ 0.321155150000000, 0.276562930000000, 0.240787310000000 ] mass: 15.999400 reduced_to: 3 - symbol: O # 10 coordinates: [ 0.943229590000000, 0.288741110000000, 0.092546020000000 ] mass: 15.999400 reduced_to: 4 - symbol: O # 11 coordinates: [ 0.345511510000000, 0.056770410000000, 0.092546020000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 12 coordinates: [ 0.711258890000000, 0.654488490000000, 0.092546020000000 ] mass: 15.999400 reduced_to: 6 - symbol: O # 13 coordinates: [ 0.390103740000000, 0.377925560000000, 0.574120640000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 14 coordinates: [ 0.622074440000000, 0.012178180000000, 0.574120640000000 ] mass: 15.999400 reduced_to: 2 - symbol: O # 15 coordinates: [ 0.987821820000000, 0.609896260000000, 0.574120640000000 ] mass: 15.999400 reduced_to: 3 - symbol: O # 16 coordinates: [ 0.609896260000000, 0.622074440000000, 0.425879360000000 ] mass: 15.999400 reduced_to: 4 - symbol: O # 17 coordinates: [ 0.012178180000000, 0.390103740000000, 0.425879360000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 18 coordinates: [ 0.377925560000000, 0.987821820000000, 0.425879360000000 ] mass: 15.999400 reduced_to: 6 - symbol: Ti # 19 coordinates: [ 0.333333330000000, 0.666666670000000, 0.816263370000000 ] mass: 47.867000 reduced_to: 19 - symbol: Ti # 20 coordinates: [ 0.000000000000000, 0.000000000000000, 0.850403300000000 ] mass: 47.867000 reduced_to: 20 - symbol: Ti # 21 coordinates: [ 0.000000000000000, 0.000000000000000, 0.149596700000000 ] mass: 47.867000 reduced_to: 19 - symbol: Ti # 22 coordinates: [ 0.666666670000000, 0.333333330000000, 0.183736630000000 ] mass: 47.867000 reduced_to: 20 - symbol: Ti # 23 coordinates: [ 0.666666670000000, 0.333333330000000, 0.482930030000000 ] mass: 47.867000 reduced_to: 19 - symbol: Ti # 24 coordinates: [ 0.333333330000000, 0.666666670000000, 0.517069970000000 ] mass: 47.867000 reduced_to: 20 - symbol: Cd # 25 coordinates: [ 0.666666670000000, 0.333333330000000, 0.696631070000000 ] mass: 112.411000 reduced_to: 25 - symbol: Cd # 26 coordinates: [ 0.666666670000000, 0.333333330000000, 0.970035590000000 ] mass: 112.411000 reduced_to: 26 - symbol: Cd # 27 coordinates: [ 0.333333330000000, 0.666666670000000, 0.029964410000000 ] mass: 112.411000 reduced_to: 25 - symbol: Cd # 28 coordinates: [ 0.333333330000000, 0.666666670000000, 0.303368930000000 ] mass: 112.411000 reduced_to: 26 - symbol: Cd # 29 coordinates: [ 0.000000000000000, 0.000000000000000, 0.363297740000000 ] mass: 112.411000 reduced_to: 25 - symbol: Cd # 30 coordinates: [ 0.000000000000000, 0.000000000000000, 0.636702260000000 ] mass: 112.411000 reduced_to: 26supercell: lattice: - [ 10.490127380000001, 0.000000000000000, 0.000000000000000 ] # a - [ -5.245063680000000, 9.084716800000001, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 14.845673610000000 ] # c points: - symbol: O # 1 coordinates: [ 0.028385205000000, 0.355629445000000, 0.907453980000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 2 coordinates: [ 0.528385205000000, 0.355629445000000, 0.907453980000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 3 coordinates: [ 0.028385205000000, 0.855629445000000, 0.907453980000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 4 coordinates: [ 0.528385205000000, 0.855629445000000, 0.907453980000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 5 coordinates: [ 0.144370555000000, 0.172755755000000, 0.907453980000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 6 coordinates: [ 0.644370555000000, 0.172755755000000, 0.907453980000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 7 coordinates: [ 0.144370555000000, 0.672755755000000, 0.907453980000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 8 coordinates: [ 0.644370555000000, 0.672755755000000, 0.907453980000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 9 coordinates: [ 0.327244245000000, 0.471614795000000, 0.907453980000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 10 coordinates: [ 0.827244245000000, 0.471614795000000, 0.907453980000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 11 coordinates: [ 0.327244245000000, 0.971614795000000, 0.907453980000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 12 coordinates: [ 0.827244245000000, 0.971614795000000, 0.907453980000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 13 coordinates: [ 0.138281465000000, 0.477703885000000, 0.759212690000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 14 coordinates: [ 0.638281465000000, 0.477703885000000, 0.759212690000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 15 coordinates: [ 0.138281465000000, 0.977703885000000, 0.759212690000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 16 coordinates: [ 0.638281465000000, 0.977703885000000, 0.759212690000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 17 coordinates: [ 0.339422425000000, 0.361718535000000, 0.759212690000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 18 coordinates: [ 0.839422425000000, 0.361718535000000, 0.759212690000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 19 coordinates: [ 0.339422425000000, 0.861718535000000, 0.759212690000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 20 coordinates: [ 0.839422425000000, 0.861718535000000, 0.759212690000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 21 coordinates: [ 0.022296115000000, 0.160577575000000, 0.759212690000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 22 coordinates: [ 0.522296115000000, 0.160577575000000, 0.759212690000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 23 coordinates: [ 0.022296115000000, 0.660577575000000, 0.759212690000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 24 coordinates: [ 0.522296115000000, 0.660577575000000, 0.759212690000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 25 coordinates: [ 0.361718535000000, 0.022296115000000, 0.240787310000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 26 coordinates: [ 0.861718535000000, 0.022296115000000, 0.240787310000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 27 coordinates: [ 0.361718535000000, 0.522296115000000, 0.240787310000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 28 coordinates: [ 0.861718535000000, 0.522296115000000, 0.240787310000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 29 coordinates: [ 0.477703885000000, 0.339422425000000, 0.240787310000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 30 coordinates: [ 0.977703885000000, 0.339422425000000, 0.240787310000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 31 coordinates: [ 0.477703885000000, 0.839422425000000, 0.240787310000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 32 coordinates: [ 0.977703885000000, 0.839422425000000, 0.240787310000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 33 coordinates: [ 0.160577575000000, 0.138281465000000, 0.240787310000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 34 coordinates: [ 0.660577575000000, 0.138281465000000, 0.240787310000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 35 coordinates: [ 0.160577575000000, 0.638281465000000, 0.240787310000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 36 coordinates: [ 0.660577575000000, 0.638281465000000, 0.240787310000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 37 coordinates: [ 0.471614795000000, 0.144370555000000, 0.092546020000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 38 coordinates: [ 0.971614795000000, 0.144370555000000, 0.092546020000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 39 coordinates: [ 0.471614795000000, 0.644370555000000, 0.092546020000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 40 coordinates: [ 0.971614795000000, 0.644370555000000, 0.092546020000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 41 coordinates: [ 0.172755755000000, 0.028385205000000, 0.092546020000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 42 coordinates: [ 0.672755755000000, 0.028385205000000, 0.092546020000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 43 coordinates: [ 0.172755755000000, 0.528385205000000, 0.092546020000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 44 coordinates: [ 0.672755755000000, 0.528385205000000, 0.092546020000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 45 coordinates: [ 0.355629445000000, 0.327244245000000, 0.092546020000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 46 coordinates: [ 0.855629445000000, 0.327244245000000, 0.092546020000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 47 coordinates: [ 0.355629445000000, 0.827244245000000, 0.092546020000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 48 coordinates: [ 0.855629445000000, 0.827244245000000, 0.092546020000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 49 coordinates: [ 0.195051870000000, 0.188962780000000, 0.574120640000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 50 coordinates: [ 0.695051870000000, 0.188962780000000, 0.574120640000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 51 coordinates: [ 0.195051870000000, 0.688962780000000, 0.574120640000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 52 coordinates: [ 0.695051870000000, 0.688962780000000, 0.574120640000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 53 coordinates: [ 0.311037220000000, 0.006089090000000, 0.574120640000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 54 coordinates: [ 0.811037220000000, 0.006089090000000, 0.574120640000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 55 coordinates: [ 0.311037220000000, 0.506089090000000, 0.574120640000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 56 coordinates: [ 0.811037220000000, 0.506089090000000, 0.574120640000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 57 coordinates: [ 0.493910910000000, 0.304948130000000, 0.574120640000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 58 coordinates: [ 0.993910910000000, 0.304948130000000, 0.574120640000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 59 coordinates: [ 0.493910910000000, 0.804948130000000, 0.574120640000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 60 coordinates: [ 0.993910910000000, 0.804948130000000, 0.574120640000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 61 coordinates: [ 0.304948130000000, 0.311037220000000, 0.425879360000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 62 coordinates: [ 0.804948130000000, 0.311037220000000, 0.425879360000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 63 coordinates: [ 0.304948130000000, 0.811037220000000, 0.425879360000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 64 coordinates: [ 0.804948130000000, 0.811037220000000, 0.425879360000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 65 coordinates: [ 0.006089090000000, 0.195051870000000, 0.425879360000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 66 coordinates: [ 0.506089090000000, 0.195051870000000, 0.425879360000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 67 coordinates: [ 0.006089090000000, 0.695051870000000, 0.425879360000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 68 coordinates: [ 0.506089090000000, 0.695051870000000, 0.425879360000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 69 coordinates: [ 0.188962780000000, 0.493910910000000, 0.425879360000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 70 coordinates: [ 0.688962780000000, 0.493910910000000, 0.425879360000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 71 coordinates: [ 0.188962780000000, 0.993910910000000, 0.425879360000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 72 coordinates: [ 0.688962780000000, 0.993910910000000, 0.425879360000000 ] mass: 15.999400 reduced_to: 21 - symbol: Ti # 73 coordinates: [ 0.166666665000000, 0.333333335000000, 0.816263370000000 ] mass: 47.867000 reduced_to: 73 - symbol: Ti # 74 coordinates: [ 0.666666665000000, 0.333333335000000, 0.816263370000000 ] mass: 47.867000 reduced_to: 73 - symbol: Ti # 75 coordinates: [ 0.166666665000000, 0.833333335000000, 0.816263370000000 ] mass: 47.867000 reduced_to: 73 - symbol: Ti # 76 coordinates: [ 0.666666665000000, 0.833333335000000, 0.816263370000000 ] mass: 47.867000 reduced_to: 73 - symbol: Ti # 77 coordinates: [ 0.000000000000000, 0.000000000000000, 0.850403300000000 ] mass: 47.867000 reduced_to: 77 - symbol: Ti # 78 coordinates: [ 0.500000000000000, 0.000000000000000, 0.850403300000000 ] mass: 47.867000 reduced_to: 77 - symbol: Ti # 79 coordinates: [ 0.000000000000000, 0.500000000000000, 0.850403300000000 ] mass: 47.867000 reduced_to: 77 - symbol: Ti # 80 coordinates: [ 0.500000000000000, 0.500000000000000, 0.850403300000000 ] mass: 47.867000 reduced_to: 77 - symbol: Ti # 81 coordinates: [ 0.000000000000000, 0.000000000000000, 0.149596700000000 ] mass: 47.867000 reduced_to: 73 - symbol: Ti # 82 coordinates: [ 0.500000000000000, 0.000000000000000, 0.149596700000000 ] mass: 47.867000 reduced_to: 73 - symbol: Ti # 83 coordinates: [ 0.000000000000000, 0.500000000000000, 0.149596700000000 ] mass: 47.867000 reduced_to: 73 - symbol: Ti # 84 coordinates: [ 0.500000000000000, 0.500000000000000, 0.149596700000000 ] mass: 47.867000 reduced_to: 73 - symbol: Ti # 85 coordinates: [ 0.333333335000000, 0.166666665000000, 0.183736630000000 ] mass: 47.867000 reduced_to: 77 - symbol: Ti # 86 coordinates: [ 0.833333335000000, 0.166666665000000, 0.183736630000000 ] mass: 47.867000 reduced_to: 77 - symbol: Ti # 87 coordinates: [ 0.333333335000000, 0.666666665000000, 0.183736630000000 ] mass: 47.867000 reduced_to: 77 - symbol: Ti # 88 coordinates: [ 0.833333335000000, 0.666666665000000, 0.183736630000000 ] mass: 47.867000 reduced_to: 77 - symbol: Ti # 89 coordinates: [ 0.333333335000000, 0.166666665000000, 0.482930030000000 ] mass: 47.867000 reduced_to: 73 - symbol: Ti # 90 coordinates: [ 0.833333335000000, 0.166666665000000, 0.482930030000000 ] mass: 47.867000 reduced_to: 73 - symbol: Ti # 91 coordinates: [ 0.333333335000000, 0.666666665000000, 0.482930030000000 ] mass: 47.867000 reduced_to: 73 - symbol: Ti # 92 coordinates: [ 0.833333335000000, 0.666666665000000, 0.482930030000000 ] mass: 47.867000 reduced_to: 73 - symbol: Ti # 93 coordinates: [ 0.166666665000000, 0.333333335000000, 0.517069970000000 ] mass: 47.867000 reduced_to: 77 - symbol: Ti # 94 coordinates: [ 0.666666665000000, 0.333333335000000, 0.517069970000000 ] mass: 47.867000 reduced_to: 77 - symbol: Ti # 95 coordinates: [ 0.166666665000000, 0.833333335000000, 0.517069970000000 ] mass: 47.867000 reduced_to: 77 - symbol: Ti # 96 coordinates: [ 0.666666665000000, 0.833333335000000, 0.517069970000000 ] mass: 47.867000 reduced_to: 77 - symbol: Cd # 97 coordinates: [ 0.333333335000000, 0.166666665000000, 0.696631070000000 ] mass: 112.411000 reduced_to: 97 - symbol: Cd # 98 coordinates: [ 0.833333335000000, 0.166666665000000, 0.696631070000000 ] mass: 112.411000 reduced_to: 97 - symbol: Cd # 99 coordinates: [ 0.333333335000000, 0.666666665000000, 0.696631070000000 ] mass: 112.411000 reduced_to: 97 - symbol: Cd # 100 coordinates: [ 0.833333335000000, 0.666666665000000, 0.696631070000000 ] mass: 112.411000 reduced_to: 97 - symbol: Cd # 101 coordinates: [ 0.333333335000000, 0.166666665000000, 0.970035590000000 ] mass: 112.411000 reduced_to: 101 - symbol: Cd # 102 coordinates: [ 0.833333335000000, 0.166666665000000, 0.970035590000000 ] mass: 112.411000 reduced_to: 101 - symbol: Cd # 103 coordinates: [ 0.333333335000000, 0.666666665000000, 0.970035590000000 ] mass: 112.411000 reduced_to: 101 - symbol: Cd # 104 coordinates: [ 0.833333335000000, 0.666666665000000, 0.970035590000000 ] mass: 112.411000 reduced_to: 101 - symbol: Cd # 105 coordinates: [ 0.166666665000000, 0.333333335000000, 0.029964410000000 ] mass: 112.411000 reduced_to: 97 - symbol: Cd # 106 coordinates: [ 0.666666665000000, 0.333333335000000, 0.029964410000000 ] mass: 112.411000 reduced_to: 97 - symbol: Cd # 107 coordinates: [ 0.166666665000000, 0.833333335000000, 0.029964410000000 ] mass: 112.411000 reduced_to: 97 - symbol: Cd # 108 coordinates: [ 0.666666665000000, 0.833333335000000, 0.029964410000000 ] mass: 112.411000 reduced_to: 97 - symbol: Cd # 109 coordinates: [ 0.166666665000000, 0.333333335000000, 0.303368930000000 ] mass: 112.411000 reduced_to: 101 - symbol: Cd # 110 coordinates: [ 0.666666665000000, 0.333333335000000, 0.303368930000000 ] mass: 112.411000 reduced_to: 101 - symbol: Cd # 111 coordinates: [ 0.166666665000000, 0.833333335000000, 0.303368930000000 ] mass: 112.411000 reduced_to: 101 - symbol: Cd # 112 coordinates: [ 0.666666665000000, 0.833333335000000, 0.303368930000000 ] mass: 112.411000 reduced_to: 101 - symbol: Cd # 113 coordinates: [ 0.000000000000000, 0.000000000000000, 0.363297740000000 ] mass: 112.411000 reduced_to: 97 - symbol: Cd # 114 coordinates: [ 0.500000000000000, 0.000000000000000, 0.363297740000000 ] mass: 112.411000 reduced_to: 97 - symbol: Cd # 115 coordinates: [ 0.000000000000000, 0.500000000000000, 0.363297740000000 ] mass: 112.411000 reduced_to: 97 - symbol: Cd # 116 coordinates: [ 0.500000000000000, 0.500000000000000, 0.363297740000000 ] mass: 112.411000 reduced_to: 97 - symbol: Cd # 117 coordinates: [ 0.000000000000000, 0.000000000000000, 0.636702260000000 ] mass: 112.411000 reduced_to: 101 - symbol: Cd # 118 coordinates: [ 0.500000000000000, 0.000000000000000, 0.636702260000000 ] mass: 112.411000 reduced_to: 101 - symbol: Cd # 119 coordinates: [ 0.000000000000000, 0.500000000000000, 0.636702260000000 ] mass: 112.411000 reduced_to: 101 - symbol: Cd # 120 coordinates: [ 0.500000000000000, 0.500000000000000, 0.636702260000000 ] mass: 112.411000 reduced_to: 101born_effective_charge:- # 1 (O) - [ -2.994322110000000, 0.968252240000000, 0.000427240000000 ] - [ 1.031057280000000, -2.613276600000000, 0.829832810000000 ] - [ -0.008882200000000, 0.709491230000000, -2.172941020000000 ]- # 2 (O) - [ -1.842811560377858, -0.366232352931176, -0.718869914353070 ] - [ -0.303427315470545, -3.764787149622143, -0.414546403515426 ] - [ -0.609996328951730, -0.362437826517825, -2.172941020000000 ]- # 3 (O) - [ -3.574264394725841, -0.696227446434667, 0.718442674353070 ] - [ -0.633422405163309, -2.033334315274159, -0.415286406484574 ] - [ 0.618878528951731, -0.347053403482176, -2.172941020000001 ]- # 4 (O) - [ -2.994322110000000, 0.968252240000000, 0.000427240000000 ] - [ 1.031057280000000, -2.613276600000001, 0.829832810000000 ] - [ -0.008882200000000, 0.709491230000000, -2.172941020000000 ]- # 5 (O) - [ -3.574264394725841, -0.696227446434667, 0.718442674353070 ] - [ -0.633422405163309, -2.033334315274159, -0.415286406484574 ] - [ 0.618878528951731, -0.347053403482176, -2.172941020000001 ]- # 6 (O) - [ -1.842811560377858, -0.366232352931176, -0.718869914353070 ] - [ -0.303427315470545, -3.764787149622143, -0.414546403515426 ] - [ -0.609996328951730, -0.362437826517825, -2.172941020000000 ]- # 7 (Ti) - [ 5.859462460000000, 0.081215160000000, 0.000000000000000 ] - [ -0.081215160000000, 5.859462460000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 3.585593690000000 ]- # 8 (Ti) - [ 5.859462460000000, 0.081215160000000, 0.000000000000000 ] - [ -0.081215160000000, 5.859462460000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 3.585593690000000 ]- # 9 (Cd) - [ 2.551935620000000, 0.012992400000000, -0.000000000000000 ] - [ -0.012992400000000, 2.551935620000000, -0.000000000000000 ] - [ -0.000000000000000, -0.000000000000000, 2.933229350000000 ]- # 10 (Cd) - [ 2.551935620000000, 0.012992400000000, -0.000000000000000 ] - [ -0.012992400000000, 2.551935620000000, -0.000000000000000 ] - [ -0.000000000000000, -0.000000000000000, 2.933229350000000 ]dielectric_constant: - [ 6.067888070000000, 0.000000930000000, 0.000000000000000 ] - [ -0.000000930000000, 6.067888070000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 5.346376330000000 ]displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.1121946900000000, 0.0274207900000000, -0.0007043800000000 ] - [ 0.0052353300000000, -0.0015105400000000, 0.0007061700000000 ] - [ 0.0024576600000000, -0.0039993200000000, 0.0007438600000000 ] - [ -0.0013740800000000, 0.0014668300000000, -0.0003792200000000 ] - [ 0.0116621900000000, -0.0167551800000000, -0.0032946900000000 ] - [ 0.0051372800000000, 0.0034343800000000, 0.0021389400000000 ] - [ -0.0063274800000000, -0.0107777000000000, -0.0044367000000000 ] - [ 0.0022376000000000, 0.0025084300000000, 0.0009649900000000 ] - [ 0.0216541500000000, 0.0110051300000000, -0.0033973000000000 ] - [ 0.0187954100000000, -0.0037932800000000, -0.0009508200000000 ] - [ 0.0008445800000000, -0.0016832800000000, -0.0009485600000000 ] - [ -0.0027360600000000, 0.0011101500000000, 0.0012951100000000 ] - [ -0.0126420700000000, 0.0088483000000000, -0.0079661800000000 ] - [ 0.0068761700000000, -0.0016230100000000, 0.0003161600000000 ] - [ 0.0034080600000000, -0.0045490700000000, 0.0004820300000000 ] - [ -0.0013168500000000, 0.0009899100000000, 0.0001228300000000 ] - [ 0.0175795400000000, 0.0052084600000000, -0.0041946000000000 ] - [ 0.0070033900000000, 0.0030734700000000, 0.0077771600000000 ] - [ -0.0011785300000000, 0.0000102300000000, 0.0009675600000000 ] - [ -0.0003245600000000, -0.0017262900000000, -0.0006443200000000 ] - [ -0.0025233900000000, -0.0086006800000000, -0.0053639000000000 ] - [ 0.0019994100000000, 0.0018107400000000, 0.0017005200000000 ] - [ 0.0035136700000000, -0.0132321600000000, 0.0091215100000000 ] - [ 0.0002489200000000, 0.0020588800000000, -0.0000957200000000 ] - [ 0.0003280500000000, -0.0001508300000000, -0.0000576000000000 ] - [ -0.0004321800000000, 0.0001966800000000, 0.0002387900000000 ] - [ 0.0000064900000000, 0.0000582500000000, 0.0000825700000000 ] - [ 0.0001256500000000, -0.0000741400000000, -0.0002945300000000 ] - [ 0.0002937500000000, 0.0000869300000000, 0.0002693300000000 ] - [ -0.0006008400000000, 0.0000486600000000, -0.0005324500000000 ] - [ -0.0000815500000000, 0.0004603900000000, -0.0000942000000000 ] - [ -0.0000306000000000, -0.0004559100000000, 0.0000164500000000 ] - [ 0.0000400100000000, -0.0000421500000000, 0.0001361700000000 ] - [ -0.0000138500000000, 0.0000941400000000, -0.0002537300000000 ] - [ -0.0006837200000000, -0.0000432900000000, 0.0003938900000000 ] - [ 0.0004779900000000, 0.0000659200000000, -0.0001056500000000 ] - [ 0.0005645600000000, 0.0000091300000000, -0.0003405800000000 ] - [ -0.0020283200000000, -0.0024598100000000, 0.0016751000000000 ] - [ 0.0003454800000000, 0.0003069800000000, 0.0006938500000000 ] - [ -0.0000656900000000, -0.0001104200000000, -0.0014841900000000 ] - [ 0.0003229700000000, -0.0005717800000000, 0.0005024500000000 ] - [ -0.0003548900000000, 0.0001789400000000, -0.0000357100000000 ] - [ -0.0034327900000000, 0.0033546300000000, 0.0035597200000000 ] - [ 0.0013940800000000, -0.0001280100000000, -0.0009873700000000 ] - [ 0.0007125200000000, 0.0004499700000000, 0.0012552300000000 ] - [ -0.0000969200000000, -0.0014608800000000, -0.0056865500000000 ] - [ -0.0004387100000000, 0.0001246600000000, -0.0008145000000000 ] - [ 0.0001604600000000, -0.0005838600000000, -0.0000253300000000 ] - [ 0.0001097600000000, 0.0000927700000000, -0.0010420700000000 ] - [ 0.0000033200000000, 0.0000644100000000, 0.0007103800000000 ] - [ -0.0004415900000000, 0.0002690100000000, 0.0002253800000000 ] - [ 0.0003147200000000, -0.0000910600000000, -0.0000196200000000 ] - [ 0.0002272500000000, -0.0002235000000000, 0.0003049000000000 ] - [ -0.0004567400000000, -0.0002562700000000, -0.0004687800000000 ] - [ -0.0004195100000000, 0.0001875900000000, -0.0007193200000000 ] - [ 0.0007064200000000, 0.0003157800000000, 0.0011466600000000 ] - [ 0.0009339200000000, -0.0000828400000000, -0.0005171300000000 ] - [ -0.0006078600000000, -0.0000323700000000, -0.0001161600000000 ] - [ -0.0001434300000000, 0.0001809100000000, 0.0001174100000000 ] - [ -0.0000079700000000, -0.0004929700000000, 0.0008091900000000 ] - [ 0.0001795100000000, -0.0000225600000000, -0.0001702500000000 ] - [ -0.0001573900000000, 0.0000656600000000, -0.0000255900000000 ] - [ -0.0001748100000000, 0.0000776700000000, 0.0000483100000000 ] - [ 0.0001967600000000, -0.0001819200000000, 0.0000454100000000 ] - [ -0.0002529100000000, -0.0000786500000000, -0.0001408300000000 ] - [ 0.0003068600000000, 0.0000838500000000, -0.0000450600000000 ] - [ -0.0001072500000000, 0.0000269800000000, 0.0001342700000000 ] - [ -0.0000141000000000, 0.0000522500000000, -0.0000573000000000 ] - [ -0.0001319200000000, 0.0001424400000000, -0.0002304300000000 ] - [ 0.0002298000000000, 0.0000923900000000, 0.0002301500000000 ] - [ 0.0000651000000000, -0.0002251900000000, 0.0000282000000000 ] - [ -0.0000712800000000, -0.0000051300000000, -0.0000889900000000 ] - [ 0.0037025400000000, -0.0068797100000000, 0.0002255600000000 ] - [ -0.0123547300000000, -0.0027518600000000, -0.0035233800000000 ] - [ -0.0004326600000000, 0.0102563600000000, 0.0009185300000000 ] - [ 0.0011201700000000, -0.0019182800000000, -0.0004748900000000 ] - [ 0.0019796000000000, 0.0119980100000000, 0.0016030600000000 ] - [ -0.0001235600000000, -0.0039151200000000, -0.0011921600000000 ] - [ 0.0398670100000000, -0.0175253600000000, 0.0098678800000000 ] - [ -0.0118471100000000, -0.0036494400000000, 0.0010177100000000 ] - [ -0.0005001600000000, 0.0015027100000000, -0.0009429800000000 ] - [ -0.0000703200000000, -0.0000306300000000, 0.0005906800000000 ] - [ 0.0045147100000000, 0.0025825600000000, 0.0016652700000000 ] - [ -0.0018198000000000, -0.0009509700000000, -0.0005687000000000 ] - [ -0.0009768900000000, 0.0005744500000000, -0.0005230200000000 ] - [ 0.0019497400000000, -0.0018140900000000, 0.0007686800000000 ] - [ -0.0001079900000000, -0.0014580300000000, -0.0007616800000000 ] - [ -0.0008126600000000, 0.0007203400000000, 0.0006634900000000 ] - [ -0.0006952800000000, 0.0004681700000000, 0.0003313500000000 ] - [ 0.0007241900000000, -0.0001573900000000, -0.0000232700000000 ] - [ 0.0003768900000000, -0.0005499700000000, 0.0000915000000000 ] - [ -0.0005072000000000, 0.0003002200000000, -0.0004869300000000 ] - [ 0.0006510300000000, -0.0000798000000000, 0.0008567500000000 ] - [ -0.0009822300000000, -0.0005471600000000, -0.0005065900000000 ] - [ 0.0003808100000000, 0.0001638900000000, -0.0005525800000000 ] - [ 0.0000696500000000, 0.0002998500000000, 0.0001548700000000 ] - [ -0.0022703300000000, 0.0023663600000000, 0.0009021000000000 ] - [ 0.0030869200000000, -0.0017333700000000, -0.0008100100000000 ] - [ 0.0007444800000000, -0.0015812300000000, 0.0001362800000000 ] - [ -0.0027470000000000, 0.0006622500000000, -0.0013030100000000 ] - [ -0.0035641100000000, 0.0008801200000000, -0.0011552400000000 ] - [ 0.0121421700000000, 0.0145995700000000, -0.0074720100000000 ] - [ 0.0031447200000000, -0.0043364000000000, -0.0002377700000000 ] - [ -0.0025580000000000, 0.0031821700000000, 0.0017767100000000 ] - [ 0.0059226600000000, -0.0002901600000000, 0.0026692700000000 ] - [ -0.0029887500000000, -0.0010677100000000, 0.0024813000000000 ] - [ -0.0006291800000000, 0.0015858100000000, 0.0014056400000000 ] - [ 0.0002255700000000, -0.0005541600000000, -0.0000479700000000 ] - [ 0.0001876800000000, 0.0000044900000000, -0.0000427800000000 ] - [ -0.0001872500000000, -0.0000697000000000, 0.0001595400000000 ] - [ 0.0000513500000000, 0.0000412300000000, 0.0000332100000000 ] - [ -0.0000369500000000, 0.0000028600000000, 0.0000228100000000 ] - [ 0.0000107000000000, 0.0001196100000000, -0.0000085800000000 ] - [ -0.0000278000000000, -0.0000438700000000, 0.0000149000000000 ] - [ 0.0001573100000000, 0.0000333400000000, 0.0000600100000000 ] - [ -0.0001521600000000, -0.0000819100000000, -0.0000112100000000 ] - [ -0.0005536800000000, 0.0014621100000000, 0.0010291900000000 ] - [ 0.0002071100000000, -0.0002483400000000, -0.0006815000000000 ] - [ 0.0021726600000000, -0.0005805200000000, -0.0018049300000000 ] - [ -0.0012781100000000, -0.0009999400000000, 0.0014545600000000 ]- atom: 1 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.1113788000000000, -0.0281333400000000, 0.0021789400000000 ] - [ -0.0052268800000000, 0.0015574400000000, -0.0007277700000000 ] - [ -0.0024430500000000, 0.0040502300000000, -0.0007698800000000 ] - [ 0.0013705100000000, -0.0013961300000000, 0.0003513600000000 ] - [ -0.0115530400000000, 0.0165076700000000, 0.0032714600000000 ] - [ -0.0051800600000000, -0.0034788900000000, -0.0021605300000000 ] - [ 0.0063172800000000, 0.0107007800000000, 0.0044562100000000 ] - [ -0.0022905400000000, -0.0025052700000000, -0.0009877500000000 ] - [ -0.0212929100000000, -0.0108672700000000, 0.0033513100000000 ] - [ -0.0189988200000000, 0.0038479700000000, 0.0009441800000000 ] - [ -0.0007790600000000, 0.0016471300000000, 0.0009198700000000 ] - [ 0.0027529600000000, -0.0010943100000000, -0.0012861500000000 ] - [ 0.0124732600000000, -0.0089031200000000, 0.0080946300000000 ] - [ -0.0069035600000000, 0.0015888700000000, -0.0002768700000000 ] - [ -0.0034343200000000, 0.0045003700000000, -0.0004195900000000 ] - [ 0.0012749500000000, -0.0010245400000000, -0.0000587200000000 ] - [ -0.0174319200000000, -0.0051191800000000, 0.0042416900000000 ] - [ -0.0070182400000000, -0.0030321900000000, -0.0077711600000000 ] - [ 0.0011685200000000, 0.0000339500000000, -0.0009105700000000 ] - [ 0.0003013300000000, 0.0017664800000000, 0.0007012500000000 ] - [ 0.0025050100000000, 0.0084957100000000, 0.0053902800000000 ] - [ -0.0019518300000000, -0.0018469700000000, -0.0016418300000000 ] - [ -0.0035324200000000, 0.0132440500000000, -0.0090819100000000 ] - [ -0.0002054500000000, -0.0020586000000000, 0.0001463000000000 ] - [ -0.0002952400000000, 0.0001853300000000, -0.0000066400000000 ] - [ 0.0004640500000000, -0.0001529500000000, -0.0003117800000000 ] - [ 0.0000218100000000, -0.0000233300000000, -0.0001440300000000 ] - [ -0.0000811900000000, 0.0001019200000000, 0.0002295500000000 ] - [ -0.0003405300000000, -0.0000757100000000, -0.0003286900000000 ] - [ 0.0005520800000000, -0.0000338400000000, 0.0004636400000000 ] - [ 0.0000336800000000, -0.0004529400000000, 0.0000308200000000 ] - [ -0.0000163100000000, 0.0004749300000000, -0.0000772100000000 ] - [ -0.0000287700000000, -0.0000021300000000, -0.0001976300000000 ] - [ 0.0000352100000000, -0.0001366400000000, 0.0001861800000000 ] - [ 0.0006955700000000, -0.0000089500000000, -0.0004611800000000 ] - [ -0.0004637600000000, -0.0001103500000000, 0.0000503000000000 ] - [ -0.0005662400000000, -0.0000697700000000, 0.0003793800000000 ] - [ 0.0019997600000000, 0.0024257600000000, -0.0016763300000000 ] - [ -0.0003512600000000, -0.0003673100000000, -0.0006554100000000 ] - [ 0.0000768900000000, 0.0000386000000000, 0.0015262900000000 ] - [ -0.0003819700000000, 0.0006019700000000, -0.0004587800000000 ] - [ 0.0003177000000000, -0.0001357400000000, 0.0000579500000000 ] - [ 0.0033582000000000, -0.0033438400000000, -0.0035487100000000 ] - [ -0.0014498500000000, 0.0001588200000000, 0.0010275700000000 ] - [ -0.0006761400000000, -0.0004267600000000, -0.0012205900000000 ] - [ 0.0001735300000000, 0.0014718200000000, 0.0056804400000000 ] - [ 0.0004923000000000, -0.0001016500000000, 0.0008478600000000 ] - [ -0.0001052200000000, 0.0006186500000000, 0.0000633200000000 ] - [ -0.0000971100000000, -0.0000577800000000, 0.0010743500000000 ] - [ 0.0000146000000000, -0.0000344600000000, -0.0006690200000000 ] - [ 0.0004557300000000, -0.0002387200000000, -0.0001766300000000 ] - [ -0.0003055800000000, 0.0001269000000000, 0.0000604200000000 ] - [ -0.0002628000000000, 0.0002175800000000, -0.0002615400000000 ] - [ 0.0004184700000000, 0.0002507500000000, 0.0005059500000000 ] - [ 0.0003833900000000, -0.0001846000000000, 0.0007608200000000 ] - [ -0.0007415600000000, -0.0003166500000000, -0.0011028400000000 ] - [ -0.0009089500000000, 0.0000583400000000, 0.0005561200000000 ] - [ 0.0006273200000000, 0.0000053200000000, 0.0001530200000000 ] - [ 0.0001688800000000, -0.0002068600000000, -0.0000750500000000 ] - [ 0.0000312000000000, 0.0004662100000000, -0.0007657200000000 ] - [ -0.0001900000000000, -0.0000103500000000, 0.0001207600000000 ] - [ 0.0001550600000000, -0.0001006800000000, -0.0000266300000000 ] - [ 0.0001658400000000, -0.0001108100000000, -0.0000961200000000 ] - [ -0.0002075400000000, 0.0001511400000000, -0.0000936400000000 ] - [ 0.0002226400000000, 0.0000998400000000, 0.0000897100000000 ] - [ -0.0003288500000000, -0.0000615600000000, -0.0000060600000000 ] - [ 0.0000849400000000, -0.0000053800000000, -0.0001852300000000 ] - [ -0.0000073300000000, -0.0000282000000000, 0.0000085800000000 ] - [ 0.0001629800000000, -0.0001373500000000, 0.0001780200000000 ] - [ -0.0001985100000000, -0.0000842000000000, -0.0002796800000000 ] - [ -0.0000340500000000, 0.0002304700000000, -0.0000790600000000 ] - [ 0.0001057100000000, 0.0000159800000000, 0.0000395800000000 ] - [ -0.0026262300000000, 0.0067270900000000, -0.0012823200000000 ] - [ 0.0123492500000000, 0.0028130000000000, 0.0036002400000000 ] - [ 0.0004125100000000, -0.0102257200000000, -0.0008757800000000 ] - [ -0.0011151600000000, 0.0018943600000000, 0.0005144600000000 ] - [ -0.0019232900000000, -0.0119712600000000, -0.0016214900000000 ] - [ 0.0001170400000000, 0.0039070100000000, 0.0011737600000000 ] - [ -0.0404669700000000, 0.0190734100000000, -0.0109618500000000 ] - [ 0.0118139800000000, 0.0036219300000000, -0.0010257700000000 ] - [ 0.0005269500000000, -0.0015327300000000, 0.0009706000000000 ] - [ 0.0000574200000000, 0.0000344400000000, -0.0005747500000000 ] - [ -0.0045285600000000, -0.0025430800000000, -0.0016196400000000 ] - [ 0.0018274700000000, 0.0009599400000000, 0.0005757100000000 ] - [ 0.0009786400000000, -0.0005781200000000, 0.0004680000000000 ] - [ -0.0019640500000000, 0.0017908000000000, -0.0007884300000000 ] - [ 0.0001218800000000, 0.0014718900000000, 0.0007170700000000 ] - [ 0.0008015900000000, -0.0007198700000000, -0.0007239100000000 ] - [ 0.0006902500000000, -0.0004639300000000, -0.0003287500000000 ] - [ -0.0007182900000000, 0.0001599400000000, 0.0000210900000000 ] - [ -0.0003711200000000, 0.0005498800000000, -0.0000954800000000 ] - [ 0.0005063100000000, -0.0002988100000000, 0.0004856700000000 ] - [ -0.0006446300000000, 0.0000752600000000, -0.0008459000000000 ] - [ 0.0009665300000000, 0.0005461200000000, 0.0005135200000000 ] - [ -0.0003879700000000, -0.0001580100000000, 0.0005492200000000 ] - [ -0.0000650500000000, -0.0003064200000000, -0.0001512400000000 ] - [ 0.0022589200000000, -0.0023540300000000, -0.0009693600000000 ] - [ -0.0030843700000000, 0.0017254700000000, 0.0007193900000000 ] - [ -0.0007381500000000, 0.0015878900000000, -0.0002183200000000 ] - [ 0.0027452300000000, -0.0006645800000000, 0.0012323600000000 ] - [ 0.0035572500000000, -0.0008771900000000, 0.0011371800000000 ] - [ -0.0122497000000000, -0.0151894100000000, 0.0077828300000000 ] - [ -0.0031140100000000, 0.0043482100000000, 0.0002304100000000 ] - [ 0.0025583500000000, -0.0031975400000000, -0.0018015200000000 ] - [ -0.0055837300000000, 0.0002305500000000, -0.0022475500000000 ] - [ 0.0029718300000000, 0.0010782200000000, -0.0025147700000000 ] - [ 0.0006254500000000, -0.0015782700000000, -0.0014214200000000 ] - [ -0.0002258600000000, 0.0005406300000000, 0.0000321400000000 ] - [ -0.0001849600000000, -0.0000033900000000, 0.0001334000000000 ] - [ 0.0001848100000000, 0.0000689700000000, -0.0000673800000000 ] - [ -0.0000492600000000, -0.0000381700000000, 0.0000578200000000 ] - [ 0.0000361700000000, -0.0000047300000000, 0.0000663700000000 ] - [ -0.0000110200000000, -0.0001212200000000, 0.0000432300000000 ] - [ 0.0000249900000000, 0.0000444200000000, 0.0000214200000000 ] - [ -0.0001561600000000, -0.0000326200000000, -0.0000220500000000 ] - [ 0.0001511000000000, 0.0000785200000000, 0.0000435000000000 ] - [ 0.0005537600000000, -0.0014502000000000, -0.0010424900000000 ] - [ -0.0002074900000000, 0.0002520800000000, 0.0006562100000000 ] - [ -0.0021762700000000, 0.0005747600000000, 0.0017798700000000 ] - [ 0.0012753500000000, 0.0009928300000000, -0.0014664800000000 ]- atom: 1 displacement: [ -0.0049999999928565, 0.0086602540419687, 0.0000000000000000 ] forces: - [ 0.0812930900000000, -0.1238928500000000, 0.0528058200000000 ] - [ -0.0039598100000000, -0.0001350600000000, -0.0000536400000000 ] - [ -0.0047225700000000, 0.0058347500000000, -0.0008453000000000 ] - [ 0.0019279400000000, 0.0004990800000000, 0.0000193100000000 ] - [ -0.0158721200000000, 0.0154408100000000, 0.0041677000000000 ] - [ 0.0038341700000000, -0.0009761900000000, 0.0014985900000000 ] - [ 0.0041514000000000, 0.0243611100000000, 0.0046553400000000 ] - [ -0.0014683200000000, 0.0000903900000000, -0.0003777200000000 ] - [ -0.0055206600000000, -0.0068066300000000, 0.0016259700000000 ] - [ -0.0231928200000000, -0.0011425500000000, 0.0044698700000000 ] - [ 0.0006697400000000, 0.0034555900000000, 0.0010909700000000 ] - [ -0.0010644400000000, 0.0070380500000000, 0.0026448600000000 ] - [ 0.0139964700000000, -0.0053438100000000, -0.0109764400000000 ] - [ -0.0048781900000000, 0.0004734300000000, -0.0007147800000000 ] - [ -0.0056603800000000, 0.0063525700000000, -0.0002131300000000 ] - [ 0.0015074900000000, -0.0006767800000000, 0.0005434700000000 ] - [ -0.0138810600000000, -0.0032237500000000, 0.0040359100000000 ] - [ -0.0053964800000000, -0.0069109500000000, -0.0055280100000000 ] - [ 0.0025891200000000, 0.0015160300000000, -0.0007513500000000 ] - [ -0.0002968800000000, 0.0023673100000000, 0.0018848500000000 ] - [ -0.0015740800000000, 0.0071557100000000, 0.0081546500000000 ] - [ -0.0013795900000000, -0.0021824900000000, -0.0005238100000000 ] - [ -0.0036775300000000, 0.0182288200000000, -0.0120580900000000 ] - [ 0.0006105700000000, -0.0000317900000000, 0.0004851800000000 ] - [ -0.0002360800000000, 0.0002981600000000, -0.0002617700000000 ] - [ 0.0004598400000000, 0.0006938500000000, -0.0014480400000000 ] - [ 0.0000594400000000, -0.0001405100000000, -0.0000864900000000 ] - [ 0.0000357200000000, -0.0001727400000000, 0.0000317800000000 ] - [ -0.0003130500000000, -0.0003395100000000, -0.0004113500000000 ] - [ -0.0000229700000000, -0.0007016200000000, -0.0003434200000000 ] - [ 0.0001904800000000, 0.0000969900000000, 0.0000798600000000 ] - [ -0.0001938900000000, 0.0009742600000000, -0.0005797800000000 ] - [ -0.0005156100000000, -0.0002270100000000, -0.0005580500000000 ] - [ 0.0009113000000000, 0.0001943400000000, -0.0004113100000000 ] - [ 0.0001373000000000, -0.0001436300000000, -0.0003840000000000 ] - [ -0.0002420200000000, 0.0000427900000000, -0.0000275300000000 ] - [ -0.0002442300000000, 0.0000024800000000, 0.0003257000000000 ] - [ -0.0011157800000000, 0.0044783200000000, -0.0068587400000000 ] - [ 0.0001196700000000, -0.0002949800000000, -0.0001137700000000 ] - [ -0.0000184800000000, -0.0005811700000000, 0.0022627400000000 ] - [ -0.0012577000000000, 0.0005632900000000, -0.0002399100000000 ] - [ 0.0011269000000000, 0.0001942300000000, -0.0002329100000000 ] - [ 0.0017280100000000, -0.0025703100000000, -0.0001965700000000 ] - [ -0.0013011400000000, 0.0002141700000000, 0.0012934200000000 ] - [ -0.0007949300000000, -0.0008355300000000, -0.0010848900000000 ] - [ 0.0016903700000000, -0.0029750600000000, -0.0009142500000000 ] - [ 0.0008993000000000, 0.0009271800000000, 0.0016573100000000 ] - [ -0.0001363000000000, 0.0015738900000000, 0.0001915800000000 ] - [ -0.0001223400000000, -0.0002454200000000, 0.0009476000000000 ] - [ 0.0000454400000000, -0.0001515200000000, -0.0006542800000000 ] - [ 0.0003808500000000, 0.0006516200000000, -0.0013635600000000 ] - [ -0.0003009700000000, 0.0002737800000000, -0.0000691400000000 ] - [ -0.0002438900000000, 0.0004086200000000, -0.0003389200000000 ] - [ 0.0004615100000000, 0.0003150600000000, 0.0006242700000000 ] - [ 0.0005513400000000, -0.0004719100000000, -0.0001643100000000 ] - [ -0.0008975000000000, -0.0005401300000000, -0.0014298600000000 ] - [ -0.0007395000000000, -0.0000445500000000, 0.0003569900000000 ] - [ 0.0006253900000000, -0.0006607300000000, -0.0004415600000000 ] - [ 0.0004651000000000, -0.0000078300000000, -0.0002712600000000 ] - [ -0.0001769900000000, 0.0005270100000000, -0.0010044000000000 ] - [ -0.0000999400000000, -0.0000356400000000, -0.0001500000000000 ] - [ 0.0001562500000000, -0.0000678500000000, -0.0003111300000000 ] - [ 0.0001655100000000, 0.0001314400000000, -0.0005256500000000 ] - [ -0.0002487700000000, 0.0003392000000000, -0.0004300700000000 ] - [ 0.0002349200000000, -0.0000843800000000, -0.0003947900000000 ] - [ -0.0001759900000000, -0.0000967700000000, -0.0002902500000000 ] - [ 0.0000137800000000, -0.0000675500000000, -0.0004617000000000 ] - [ 0.0002589400000000, 0.0000617900000000, -0.0002262100000000 ] - [ -0.0000036800000000, -0.0002796100000000, -0.0002279100000000 ] - [ -0.0002492600000000, -0.0001528600000000, -0.0005108700000000 ] - [ -0.0001416800000000, 0.0002833600000000, -0.0004219700000000 ] - [ 0.0000844300000000, -0.0000581600000000, -0.0002260700000000 ] - [ 0.0044181200000000, 0.0216768300000000, -0.0082997200000000 ] - [ 0.0097294400000000, 0.0077870000000000, 0.0021294400000000 ] - [ 0.0017396500000000, -0.0171039400000000, 0.0002360300000000 ] - [ -0.0031459900000000, -0.0022742700000000, -0.0018969100000000 ] - [ 0.0043073900000000, -0.0132050300000000, -0.0041670300000000 ] - [ -0.0028683100000000, -0.0016035000000000, -0.0012766300000000 ] - [ -0.0470307600000000, 0.0517647000000000, -0.0273194800000000 ] - [ 0.0063037300000000, 0.0024041800000000, 0.0002648400000000 ] - [ 0.0028232600000000, -0.0040411000000000, 0.0024170500000000 ] - [ -0.0011759200000000, -0.0011965400000000, -0.0003292000000000 ] - [ -0.0013150800000000, 0.0019902700000000, -0.0011444400000000 ] - [ 0.0014252700000000, 0.0012524700000000, 0.0002642800000000 ] - [ 0.0012696900000000, -0.0000749300000000, 0.0005829400000000 ] - [ -0.0030815100000000, 0.0007358800000000, 0.0023392900000000 ] - [ -0.0001878300000000, 0.0007744400000000, -0.0001320800000000 ] - [ 0.0007036000000000, -0.0012140700000000, -0.0008145600000000 ] - [ 0.0005678700000000, -0.0004461100000000, 0.0000489900000000 ] - [ -0.0004869000000000, 0.0005166200000000, 0.0004356900000000 ] - [ -0.0007508600000000, 0.0003234000000000, 0.0007460700000000 ] - [ 0.0007291100000000, -0.0003555000000000, 0.0009629700000000 ] - [ -0.0007646400000000, 0.0006666500000000, -0.0000169400000000 ] - [ 0.0008564400000000, 0.0008131400000000, 0.0008480200000000 ] - [ 0.0000987300000000, -0.0008034200000000, 0.0012380100000000 ] - [ -0.0003208500000000, -0.0006179900000000, 0.0000745300000000 ] - [ 0.0018598400000000, -0.0019588900000000, -0.0008006600000000 ] - [ -0.0033030000000000, 0.0017461500000000, -0.0012130600000000 ] - [ -0.0020847800000000, -0.0001991000000000, 0.0007318500000000 ] - [ 0.0036946200000000, -0.0009006700000000, 0.0016044000000000 ] - [ 0.0037568800000000, -0.0003940300000000, 0.0009598700000000 ] - [ 0.0042739300000000, 0.0125272200000000, -0.0043180000000000 ] - [ -0.0054517500000000, 0.0011920700000000, -0.0020614300000000 ] - [ 0.0031371400000000, -0.0039903700000000, -0.0025030400000000 ] - [ -0.0011018800000000, 0.0027875400000000, 0.0006088500000000 ] - [ 0.0013085300000000, 0.0023741600000000, -0.0027698000000000 ] - [ 0.0013243200000000, -0.0029058800000000, -0.0029001900000000 ] - [ -0.0008249900000000, -0.0010851700000000, 0.0004360800000000 ] - [ 0.0000432100000000, 0.0002534500000000, 0.0006118800000000 ] - [ -0.0000229100000000, 0.0001685700000000, 0.0004182700000000 ] - [ 0.0001199100000000, -0.0001181800000000, 0.0004266500000000 ] - [ -0.0001771800000000, -0.0003193500000000, 0.0004736500000000 ] - [ 0.0001223000000000, -0.0001130800000000, 0.0006040800000000 ] - [ -0.0000797200000000, -0.0001225600000000, 0.0004264600000000 ] - [ -0.0000888000000000, 0.0001307300000000, 0.0004563200000000 ] - [ 0.0000676800000000, 0.0000941000000000, 0.0003239200000000 ] - [ 0.0008545500000000, -0.0015881900000000, -0.0013349900000000 ] - [ -0.0004798100000000, -0.0000331300000000, 0.0005735900000000 ] - [ -0.0007087100000000, 0.0011411300000000, 0.0032911700000000 ] - [ 0.0008728300000000, 0.0007546400000000, -0.0009818400000000 ]- atom: 1 displacement: [ 0.0049999999928565, -0.0086602540419687, 0.0000000000000000 ] forces: - [ -0.0786437700000000, 0.1208413400000000, -0.0499082200000000 ] - [ 0.0039239100000000, 0.0002155800000000, 0.0000108800000000 ] - [ 0.0047070400000000, -0.0057585000000000, 0.0008167100000000 ] - [ -0.0019205400000000, -0.0004201700000000, -0.0000495600000000 ] - [ 0.0161295800000000, -0.0156675900000000, -0.0041821600000000 ] - [ -0.0037968900000000, 0.0009545100000000, -0.0014879100000000 ] - [ -0.0041271200000000, -0.0240630400000000, -0.0046039700000000 ] - [ 0.0013849900000000, -0.0001405700000000, 0.0003400700000000 ] - [ 0.0054359000000000, 0.0067354100000000, -0.0016387300000000 ] - [ 0.0228848500000000, 0.0010443000000000, -0.0043903600000000 ] - [ -0.0005682800000000, -0.0034606800000000, -0.0011230500000000 ] - [ 0.0010729500000000, -0.0070774100000000, -0.0026505800000000 ] - [ -0.0139490700000000, 0.0051540500000000, 0.0111036400000000 ] - [ 0.0047928400000000, -0.0005126700000000, 0.0007734100000000 ] - [ 0.0056077000000000, -0.0063534600000000, 0.0002615500000000 ] - [ -0.0015358200000000, 0.0006326000000000, -0.0004727300000000 ] - [ 0.0138121700000000, 0.0031987500000000, -0.0039453300000000 ] - [ 0.0054200100000000, 0.0068592500000000, 0.0055875100000000 ] - [ -0.0025736800000000, -0.0014556900000000, 0.0008040500000000 ] - [ 0.0002504500000000, -0.0023222900000000, -0.0018203800000000 ] - [ 0.0016301200000000, -0.0071704000000000, -0.0081634800000000 ] - [ 0.0014260200000000, 0.0021524700000000, 0.0005905700000000 ] - [ 0.0036551500000000, -0.0179806600000000, 0.0119533400000000 ] - [ -0.0005579100000000, 0.0000022600000000, -0.0004216000000000 ] - [ 0.0002607100000000, -0.0002525800000000, 0.0001932300000000 ] - [ -0.0004321100000000, -0.0006398800000000, 0.0013612100000000 ] - [ -0.0000372400000000, 0.0001895500000000, 0.0000114500000000 ] - [ 0.0000089600000000, 0.0002068100000000, -0.0001068800000000 ] - [ 0.0002574000000000, 0.0003446300000000, 0.0003405400000000 ] - [ -0.0000366700000000, 0.0007101500000000, 0.0002574200000000 ] - [ -0.0002446200000000, -0.0001081000000000, -0.0001517000000000 ] - [ 0.0001391300000000, -0.0009619500000000, 0.0005105200000000 ] - [ 0.0005312300000000, 0.0001814300000000, 0.0004918400000000 ] - [ -0.0008738600000000, -0.0002338200000000, 0.0003348800000000 ] - [ -0.0001091500000000, 0.0000857300000000, 0.0002922600000000 ] - [ 0.0002650500000000, -0.0000892100000000, -0.0000360000000000 ] - [ 0.0002443900000000, -0.0000673300000000, -0.0002779800000000 ] - [ 0.0010947400000000, -0.0045248700000000, 0.0068890800000000 ] - [ -0.0001236500000000, 0.0002158500000000, 0.0001576300000000 ] - [ 0.0000371300000000, 0.0004809100000000, -0.0021837900000000 ] - [ 0.0011785100000000, -0.0005270500000000, 0.0003013600000000 ] - [ -0.0011712800000000, -0.0001437200000000, 0.0002655300000000 ] - [ -0.0017891700000000, 0.0025461600000000, 0.0001882400000000 ] - [ 0.0012214000000000, -0.0001802400000000, -0.0012335800000000 ] - [ 0.0008431100000000, 0.0008762800000000, 0.0011262200000000 ] - [ -0.0015869100000000, 0.0029734700000000, 0.0008775800000000 ] - [ -0.0008259800000000, -0.0008927800000000, -0.0015935600000000 ] - [ 0.0001965400000000, -0.0015275200000000, -0.0001355100000000 ] - [ 0.0001337500000000, 0.0002944600000000, -0.0009170700000000 ] - [ -0.0000288300000000, 0.0001837800000000, 0.0006855100000000 ] - [ -0.0003660000000000, -0.0006116300000000, 0.0013951900000000 ] - [ 0.0003099800000000, -0.0002307600000000, 0.0000961400000000 ] - [ 0.0002004600000000, -0.0004175700000000, 0.0003678500000000 ] - [ -0.0005058200000000, -0.0003311400000000, -0.0005917800000000 ] - [ -0.0005849700000000, 0.0004679900000000, 0.0002104500000000 ] - [ 0.0008522100000000, 0.0005439900000000, 0.0014544600000000 ] - [ 0.0007519100000000, 0.0000186600000000, -0.0003124300000000 ] - [ -0.0005933100000000, 0.0006317000000000, 0.0004771800000000 ] - [ -0.0004227500000000, -0.0000204900000000, 0.0003018700000000 ] - [ 0.0002005000000000, -0.0005572500000000, 0.0010205800000000 ] - [ 0.0000906300000000, -0.0000005500000000, 0.0001013900000000 ] - [ -0.0001482600000000, 0.0000232100000000, 0.0002604400000000 ] - [ -0.0001679300000000, -0.0001716300000000, 0.0004795800000000 ] - [ 0.0002455100000000, -0.0003863800000000, 0.0003865700000000 ] - [ -0.0002705000000000, 0.0001071000000000, 0.0003473700000000 ] - [ 0.0001397200000000, 0.0001155500000000, 0.0002379100000000 ] - [ -0.0000588400000000, 0.0000889800000000, 0.0004149000000000 ] - [ -0.0002805400000000, -0.0000365300000000, 0.0001795900000000 ] - [ 0.0000393800000000, 0.0002865100000000, 0.0001788200000000 ] - [ 0.0002885700000000, 0.0001850200000000, 0.0004635700000000 ] - [ 0.0001755400000000, -0.0002701500000000, 0.0003700400000000 ] - [ -0.0000450800000000, 0.0000737400000000, 0.0001809700000000 ] - [ -0.0038751900000000, -0.0215667000000000, 0.0078750700000000 ] - [ -0.0096856100000000, -0.0076782500000000, -0.0020198900000000 ] - [ -0.0017582200000000, 0.0169722000000000, -0.0001657500000000 ] - [ 0.0031576800000000, 0.0022856600000000, 0.0019508400000000 ] - [ -0.0042105900000000, 0.0131849800000000, 0.0041508100000000 ] - [ 0.0028191300000000, 0.0015465000000000, 0.0012440600000000 ] - [ 0.0440464100000000, -0.0483114100000000, 0.0244454300000000 ] - [ -0.0062134400000000, -0.0023902500000000, -0.0002922200000000 ] - [ -0.0027931900000000, 0.0040053000000000, -0.0023879000000000 ] - [ 0.0011579600000000, 0.0011907400000000, 0.0003384600000000 ] - [ 0.0012793800000000, -0.0019300300000000, 0.0011976100000000 ] - [ -0.0014063300000000, -0.0012402700000000, -0.0002528700000000 ] - [ -0.0012634700000000, 0.0000617400000000, -0.0006533100000000 ] - [ 0.0030690300000000, -0.0007709900000000, -0.0023645400000000 ] - [ 0.0002045100000000, -0.0007396400000000, 0.0000918800000000 ] - [ -0.0007098100000000, 0.0012182900000000, 0.0007348800000000 ] - [ -0.0005688400000000, 0.0004425000000000, -0.0000386600000000 ] - [ 0.0004901700000000, -0.0005160400000000, -0.0004369900000000 ] - [ 0.0007501400000000, -0.0003153400000000, -0.0007417600000000 ] - [ -0.0007234600000000, 0.0003579000000000, -0.0009462100000000 ] - [ 0.0007697300000000, -0.0006725500000000, 0.0000112000000000 ] - [ -0.0008688800000000, -0.0008062600000000, -0.0008407500000000 ] - [ -0.0001114500000000, 0.0008077500000000, -0.0012324800000000 ] - [ 0.0003254000000000, 0.0006105200000000, -0.0000769000000000 ] - [ -0.0018545700000000, 0.0019350700000000, 0.0007244500000000 ] - [ 0.0032880800000000, -0.0017528300000000, 0.0011148800000000 ] - [ 0.0020724700000000, 0.0002237000000000, -0.0008141600000000 ] - [ -0.0036543300000000, 0.0009042500000000, -0.0016568600000000 ] - [ -0.0037603100000000, 0.0003765300000000, -0.0009838100000000 ] - [ -0.0046930800000000, -0.0129128300000000, 0.0046158900000000 ] - [ 0.0054228600000000, -0.0011231400000000, 0.0020485800000000 ] - [ -0.0031051200000000, 0.0039642600000000, 0.0024618900000000 ] - [ 0.0012787100000000, -0.0028101800000000, -0.0004363000000000 ] - [ -0.0013191500000000, -0.0023486600000000, 0.0027225900000000 ] - [ -0.0013175600000000, 0.0028913900000000, 0.0028451500000000 ] - [ 0.0008257400000000, 0.0010802400000000, -0.0004573300000000 ] - [ -0.0000404600000000, -0.0002522500000000, -0.0005169000000000 ] - [ 0.0000208300000000, -0.0001718100000000, -0.0003193700000000 ] - [ -0.0001152300000000, 0.0001219500000000, -0.0003307300000000 ] - [ 0.0001743800000000, 0.0003182500000000, -0.0003810600000000 ] - [ -0.0001227700000000, 0.0001125600000000, -0.0005694400000000 ] - [ 0.0000770600000000, 0.0001241600000000, -0.0003884200000000 ] - [ 0.0000908100000000, -0.0001312400000000, -0.0004145700000000 ] - [ -0.0000697200000000, -0.0000977000000000, -0.0002930100000000 ] - [ -0.0008460900000000, 0.0015875200000000, 0.0013232200000000 ] - [ 0.0004757700000000, 0.0000345400000000, -0.0005938400000000 ] - [ 0.0006905100000000, -0.0011267600000000, -0.0032927200000000 ] - [ -0.0008635000000000, -0.0007492700000000, 0.0009491600000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0017816800000000, 0.0581242400000000, -0.1078196400000000 ] - [ 0.0007224400000000, 0.0003947600000000, -0.0014991100000000 ] - [ 0.0007654500000000, -0.0004987800000000, -0.0010769000000000 ] - [ -0.0003639700000000, -0.0001420000000000, -0.0011219700000000 ] - [ 0.0016858000000000, -0.0028738700000000, -0.0083028900000000 ] - [ -0.0039597300000000, -0.0007952800000000, -0.0031448500000000 ] - [ -0.0034847900000000, -0.0031524800000000, -0.0065704500000000 ] - [ -0.0001923400000000, -0.0011849000000000, -0.0011954200000000 ] - [ 0.0041461700000000, 0.0013565800000000, -0.0083012200000000 ] - [ 0.0046498000000000, 0.0024353000000000, -0.0065738900000000 ] - [ -0.0003432300000000, -0.0009375600000000, -0.0011973400000000 ] - [ 0.0015116000000000, -0.0033548300000000, -0.0031434300000000 ] - [ -0.0079924900000000, -0.0171812800000000, 0.0265859700000000 ] - [ 0.0002811000000000, -0.0006938100000000, -0.0008402900000000 ] - [ 0.0004374600000000, -0.0000349900000000, -0.0009585900000000 ] - [ 0.0000676600000000, 0.0006264300000000, -0.0008176100000000 ] - [ -0.0119493400000000, -0.0035410300000000, 0.0034356900000000 ] - [ 0.0081398000000000, 0.0015273900000000, 0.0036726700000000 ] - [ -0.0005643400000000, -0.0015821200000000, -0.0007519500000000 ] - [ 0.0004581400000000, -0.0000989300000000, -0.0013124600000000 ] - [ -0.0021923100000000, 0.0076357900000000, 0.0036537100000000 ] - [ -0.0001419500000000, 0.0009781200000000, -0.0007564600000000 ] - [ 0.0002580100000000, -0.0048141400000000, 0.0035195800000000 ] - [ -0.0011506200000000, -0.0014651500000000, -0.0013089300000000 ] - [ -0.0000177100000000, -0.0001129000000000, 0.0005741800000000 ] - [ 0.0002232100000000, -0.0014691500000000, 0.0022624000000000 ] - [ 0.0007139400000000, -0.0003647300000000, 0.0008215600000000 ] - [ -0.0010378000000000, 0.0004724200000000, 0.0011379600000000 ] - [ 0.0001714800000000, 0.0002376000000000, 0.0005920400000000 ] - [ 0.0005755100000000, 0.0002022400000000, 0.0017140600000000 ] - [ 0.0002071500000000, 0.0010590200000000, 0.0007220700000000 ] - [ 0.0001825900000000, -0.0004900100000000, 0.0010244600000000 ] - [ 0.0006097200000000, 0.0001891400000000, 0.0008160400000000 ] - [ -0.0014481400000000, -0.0004908200000000, 0.0011673500000000 ] - [ -0.0001913200000000, 0.0009411400000000, 0.0021574500000000 ] - [ -0.0003569900000000, -0.0001480800000000, 0.0004943400000000 ] - [ -0.0003648900000000, 0.0001195700000000, -0.0004675600000000 ] - [ 0.0016726400000000, -0.0070284400000000, 0.0073347100000000 ] - [ 0.0006750300000000, 0.0002098100000000, -0.0003639000000000 ] - [ -0.0015125600000000, 0.0016848700000000, -0.0011405600000000 ] - [ 0.0016147600000000, 0.0000349600000000, -0.0007319600000000 ] - [ -0.0011270100000000, -0.0007812600000000, -0.0000867200000000 ] - [ -0.0009176900000000, 0.0071409200000000, 0.0069858600000000 ] - [ 0.0001459600000000, -0.0000312900000000, -0.0007676300000000 ] - [ 0.0003032000000000, 0.0001234400000000, -0.0000933000000000 ] - [ -0.0033616800000000, 0.0021737900000000, 0.0069727300000000 ] - [ -0.0001909200000000, 0.0004421600000000, -0.0007312000000000 ] - [ -0.0002375100000000, -0.0013090400000000, -0.0007688800000000 ] - [ -0.0002525800000000, -0.0000701900000000, 0.0011907100000000 ] - [ 0.0001211200000000, 0.0000210200000000, 0.0008754800000000 ] - [ 0.0002783000000000, -0.0014506400000000, 0.0023059100000000 ] - [ -0.0000195700000000, -0.0002721700000000, 0.0006316400000000 ] - [ 0.0000644200000000, -0.0000445900000000, 0.0005501800000000 ] - [ 0.0003512700000000, 0.0004039800000000, 0.0008704800000000 ] - [ -0.0000971100000000, 0.0004441700000000, 0.0021962800000000 ] - [ 0.0005846100000000, 0.0000905400000000, 0.0012244700000000 ] - [ -0.0005386200000000, 0.0002516700000000, 0.0010744100000000 ] - [ -0.0003051200000000, 0.0007382200000000, 0.0017635600000000 ] - [ -0.0003732100000000, -0.0001350200000000, 0.0006469300000000 ] - [ 0.0001203600000000, -0.0000056800000000, 0.0007824900000000 ] - [ -0.0001537400000000, -0.0002383100000000, 0.0011026600000000 ] - [ -0.0000076900000000, -0.0003463100000000, 0.0011101500000000 ] - [ 0.0000626100000000, -0.0005499400000000, 0.0013084400000000 ] - [ 0.0000582700000000, -0.0004323600000000, 0.0010076100000000 ] - [ -0.0002113100000000, 0.0003639200000000, 0.0013530500000000 ] - [ -0.0004012500000000, 0.0001805600000000, 0.0010237500000000 ] - [ -0.0002037400000000, 0.0002051300000000, 0.0010851400000000 ] - [ -0.0004889300000000, -0.0000005300000000, 0.0009797800000000 ] - [ 0.0005007300000000, 0.0001449800000000, 0.0013518700000000 ] - [ 0.0002459100000000, 0.0000881500000000, 0.0009790300000000 ] - [ 0.0002980000000000, 0.0001377300000000, 0.0010232200000000 ] - [ 0.0002915800000000, 0.0003426500000000, 0.0010875800000000 ] - [ 0.0018727500000000, -0.0008791300000000, 0.0259443300000000 ] - [ -0.0044792700000000, -0.0030531700000000, 0.0037751600000000 ] - [ 0.0003319200000000, 0.0038229500000000, 0.0023152200000000 ] - [ 0.0009755200000000, 0.0016322300000000, 0.0026291400000000 ] - [ -0.0006628500000000, -0.0002682900000000, 0.0056949700000000 ] - [ 0.0015415500000000, 0.0017145800000000, 0.0028773000000000 ] - [ 0.0211771500000000, -0.0283863300000000, 0.0379619700000000 ] - [ -0.0009961000000000, 0.0025922800000000, 0.0050155400000000 ] - [ -0.0041618900000000, 0.0046479200000000, -0.0023032300000000 ] - [ 0.0013144500000000, 0.0002066900000000, -0.0000641400000000 ] - [ 0.0036704000000000, -0.0037456400000000, -0.0046594900000000 ] - [ -0.0009768500000000, -0.0003423000000000, -0.0002097500000000 ] - [ -0.0008384400000000, -0.0001099900000000, -0.0006512800000000 ] - [ 0.0024442600000000, 0.0022207100000000, -0.0045172800000000 ] - [ -0.0026573200000000, -0.0030912100000000, -0.0021536800000000 ] - [ 0.0010614000000000, 0.0001520700000000, -0.0001959400000000 ] - [ 0.0003227500000000, -0.0002405500000000, -0.0016027800000000 ] - [ -0.0003663900000000, -0.0005332500000000, -0.0019704400000000 ] - [ 0.0004371300000000, 0.0005833000000000, -0.0022851500000000 ] - [ -0.0002339600000000, 0.0003003100000000, -0.0016544400000000 ] - [ 0.0001130200000000, -0.0005893400000000, -0.0025767900000000 ] - [ 0.0001112200000000, -0.0002370500000000, -0.0017415800000000 ] - [ -0.0006697500000000, 0.0008439400000000, -0.0018581300000000 ] - [ 0.0001263700000000, -0.0000467600000000, -0.0013394800000000 ] - [ 0.0008191300000000, -0.0013029800000000, -0.0008839800000000 ] - [ -0.0010756800000000, -0.0020983600000000, -0.0019451600000000 ] - [ 0.0021817400000000, 0.0033615600000000, -0.0016708600000000 ] - [ -0.0010814100000000, 0.0005980000000000, -0.0007563800000000 ] - [ -0.0009280600000000, 0.0000688100000000, 0.0015912600000000 ] - [ -0.0064499700000000, -0.0102662400000000, 0.0065733500000000 ] - [ -0.0003140600000000, -0.0024276700000000, 0.0029489700000000 ] - [ -0.0003543000000000, 0.0008387000000000, 0.0022410400000000 ] - [ 0.0011090200000000, 0.0004516800000000, 0.0068070600000000 ] - [ 0.0019622200000000, -0.0007161900000000, 0.0021594100000000 ] - [ -0.0002258300000000, 0.0000389500000000, 0.0021946900000000 ] - [ 0.0001901400000000, 0.0008889200000000, 0.0011956400000000 ] - [ -0.0004071600000000, -0.0000282200000000, -0.0017915700000000 ] - [ 0.0003802700000000, -0.0000024000000000, -0.0014564500000000 ] - [ -0.0000120800000000, -0.0003288200000000, -0.0013837500000000 ] - [ 0.0001087300000000, 0.0003686900000000, -0.0013763000000000 ] - [ -0.0002049800000000, -0.0000583100000000, -0.0015683300000000 ] - [ 0.0001784400000000, 0.0000551200000000, -0.0014370400000000 ] - [ 0.0000150300000000, -0.0000259600000000, -0.0017997200000000 ] - [ -0.0000025200000000, 0.0000666800000000, -0.0013098700000000 ] - [ 0.0000212400000000, -0.0009429100000000, -0.0010266200000000 ] - [ 0.0001324500000000, 0.0000222400000000, -0.0004571700000000 ] - [ -0.0015012900000000, 0.0000434700000000, -0.0032111600000000 ] - [ 0.0007399300000000, 0.0008014700000000, -0.0013917000000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0011019200000000, -0.0587319800000000, 0.1085925300000000 ] - [ -0.0007150300000000, -0.0003422600000000, 0.0014689000000000 ] - [ -0.0007513700000000, 0.0005534400000000, 0.0010412200000000 ] - [ 0.0003634300000000, 0.0002038700000000, 0.0010883300000000 ] - [ -0.0018101500000000, 0.0028979700000000, 0.0082539900000000 ] - [ 0.0039180400000000, 0.0007710900000000, 0.0031129700000000 ] - [ 0.0034643300000000, 0.0030402300000000, 0.0065474300000000 ] - [ 0.0001422700000000, 0.0011620600000000, 0.0011665500000000 ] - [ -0.0041980500000000, -0.0014062200000000, 0.0082562000000000 ] - [ -0.0045836100000000, -0.0024928400000000, 0.0065428600000000 ] - [ 0.0003845200000000, 0.0008992500000000, 0.0011642600000000 ] - [ -0.0014666000000000, 0.0033326600000000, 0.0031149100000000 ] - [ 0.0080704300000000, 0.0175687200000000, -0.0270006200000000 ] - [ -0.0003115800000000, 0.0006695500000000, 0.0009025200000000 ] - [ -0.0004621400000000, -0.0000148000000000, 0.0010232300000000 ] - [ -0.0001107100000000, -0.0006547600000000, 0.0008756100000000 ] - [ 0.0120354700000000, 0.0036297600000000, -0.0034699800000000 ] - [ -0.0081814400000000, -0.0014670000000000, -0.0036296500000000 ] - [ 0.0005394800000000, 0.0016391100000000, 0.0008196600000000 ] - [ -0.0004587600000000, 0.0001455200000000, 0.0013683800000000 ] - [ 0.0022594700000000, -0.0077445800000000, -0.0036492800000000 ] - [ 0.0001906500000000, -0.0009971800000000, 0.0008152900000000 ] - [ -0.0001835800000000, 0.0046718000000000, -0.0033841300000000 ] - [ 0.0012103600000000, 0.0014533800000000, 0.0013725700000000 ] - [ 0.0000569800000000, 0.0001424100000000, -0.0006316500000000 ] - [ -0.0001795600000000, 0.0014885100000000, -0.0023076100000000 ] - [ -0.0006677800000000, 0.0003917100000000, -0.0008766900000000 ] - [ 0.0010729200000000, -0.0004447100000000, -0.0011888400000000 ] - [ -0.0002162500000000, -0.0002127800000000, -0.0006478200000000 ] - [ -0.0006149300000000, -0.0001783900000000, -0.0017594500000000 ] - [ -0.0002536900000000, -0.0010293200000000, -0.0007769900000000 ] - [ -0.0002241400000000, 0.0005107100000000, -0.0010749900000000 ] - [ -0.0005984900000000, -0.0002349400000000, -0.0008704500000000 ] - [ 0.0014463400000000, 0.0004386200000000, -0.0012182500000000 ] - [ 0.0001972500000000, -0.0009858600000000, -0.0022013300000000 ] - [ 0.0003589400000000, 0.0000977300000000, -0.0005489800000000 ] - [ 0.0003579200000000, -0.0001744900000000, 0.0004885600000000 ] - [ -0.0016760500000000, 0.0068937700000000, -0.0072390100000000 ] - [ -0.0006724800000000, -0.0002675700000000, 0.0003873000000000 ] - [ 0.0014982800000000, -0.0017249500000000, 0.0011547800000000 ] - [ -0.0016477200000000, -0.0000029100000000, 0.0007465900000000 ] - [ 0.0010708100000000, 0.0008044600000000, 0.0001064600000000 ] - [ 0.0008622600000000, -0.0070116200000000, -0.0068692200000000 ] - [ -0.0001950700000000, 0.0000594200000000, 0.0007869100000000 ] - [ -0.0002812000000000, -0.0001026400000000, 0.0001014100000000 ] - [ 0.0033727100000000, -0.0021464000000000, -0.0068834400000000 ] - [ 0.0002409800000000, -0.0004132800000000, 0.0007493000000000 ] - [ 0.0002853200000000, 0.0013223200000000, 0.0007847800000000 ] - [ 0.0002694700000000, 0.0000875600000000, -0.0011364200000000 ] - [ -0.0001064600000000, 0.0000099900000000, -0.0008215000000000 ] - [ -0.0002746200000000, 0.0014879500000000, -0.0022648100000000 ] - [ 0.0000326800000000, 0.0002946100000000, -0.0005738700000000 ] - [ -0.0000924700000000, 0.0000460600000000, -0.0004910600000000 ] - [ -0.0003815800000000, -0.0004019200000000, -0.0008167500000000 ] - [ 0.0000744700000000, -0.0004479100000000, -0.0021597900000000 ] - [ -0.0006104000000000, -0.0000904500000000, -0.0011609500000000 ] - [ 0.0005641600000000, -0.0002752600000000, -0.0010243700000000 ] - [ 0.0003125400000000, -0.0007655700000000, -0.0017094400000000 ] - [ 0.0003897200000000, 0.0001144000000000, -0.0005904400000000 ] - [ -0.0001064900000000, -0.0000187300000000, -0.0007152900000000 ] - [ 0.0001418300000000, 0.0002115300000000, -0.0011499500000000 ] - [ -0.0000071200000000, 0.0003129500000000, -0.0011521500000000 ] - [ -0.0000783500000000, 0.0005241200000000, -0.0013536800000000 ] - [ -0.0000741800000000, 0.0004120400000000, -0.0010530700000000 ] - [ 0.0001855900000000, -0.0003398700000000, -0.0013994200000000 ] - [ 0.0003868700000000, -0.0001543300000000, -0.0010694100000000 ] - [ 0.0001952200000000, -0.0001820600000000, -0.0011335100000000 ] - [ 0.0004732700000000, 0.0000264900000000, -0.0010259500000000 ] - [ -0.0004714900000000, -0.0001448300000000, -0.0014013200000000 ] - [ -0.0002196700000000, -0.0000977300000000, -0.0010265100000000 ] - [ -0.0002680800000000, -0.0001401000000000, -0.0010689800000000 ] - [ -0.0002572200000000, -0.0003393100000000, -0.0011306300000000 ] - [ -0.0006789800000000, 0.0006493200000000, -0.0265891500000000 ] - [ 0.0044561400000000, 0.0030478500000000, -0.0037249800000000 ] - [ -0.0003120000000000, -0.0037546400000000, -0.0022491600000000 ] - [ -0.0009837900000000, -0.0016381800000000, -0.0025781300000000 ] - [ 0.0006417100000000, 0.0002505300000000, -0.0057348800000000 ] - [ -0.0015300500000000, -0.0017284000000000, -0.0028923600000000 ] - [ -0.0219939600000000, 0.0294694100000000, -0.0381765400000000 ] - [ 0.0010016300000000, -0.0025988300000000, -0.0050547700000000 ] - [ 0.0041326700000000, -0.0046191900000000, 0.0023127000000000 ] - [ -0.0013071100000000, -0.0002073300000000, 0.0000826400000000 ] - [ -0.0036425500000000, 0.0037412600000000, 0.0046643900000000 ] - [ 0.0009690000000000, 0.0003538500000000, 0.0002288600000000 ] - [ 0.0008350300000000, 0.0001027700000000, 0.0005994000000000 ] - [ -0.0024345300000000, -0.0022107600000000, 0.0044374500000000 ] - [ 0.0026382200000000, 0.0030650900000000, 0.0020869600000000 ] - [ -0.0010608100000000, -0.0001516500000000, 0.0001368300000000 ] - [ -0.0003205100000000, 0.0002435600000000, 0.0015982800000000 ] - [ 0.0003669100000000, 0.0005373000000000, 0.0019563200000000 ] - [ -0.0004392900000000, -0.0005852300000000, 0.0022827900000000 ] - [ 0.0002328100000000, -0.0002981700000000, 0.0016525700000000 ] - [ -0.0001136900000000, 0.0005969500000000, 0.0025687900000000 ] - [ -0.0001141300000000, 0.0002233400000000, 0.0017337800000000 ] - [ 0.0006857400000000, -0.0008489300000000, 0.0018431000000000 ] - [ -0.0001343300000000, 0.0000501200000000, 0.0013261900000000 ] - [ -0.0008242100000000, 0.0013127100000000, 0.0007965800000000 ] - [ 0.0010830100000000, 0.0020924800000000, 0.0018517700000000 ] - [ -0.0021933300000000, -0.0033939600000000, 0.0015924200000000 ] - [ 0.0010617700000000, -0.0005996300000000, 0.0006640700000000 ] - [ 0.0009352400000000, -0.0000666700000000, -0.0015685000000000 ] - [ 0.0062420700000000, 0.0099222200000000, -0.0065292200000000 ] - [ 0.0003245100000000, 0.0024360300000000, -0.0029116200000000 ] - [ 0.0003497600000000, -0.0008344400000000, -0.0022204500000000 ] - [ -0.0006397600000000, -0.0005108300000000, -0.0063295700000000 ] - [ -0.0019535800000000, 0.0007137500000000, -0.0021452600000000 ] - [ 0.0002238500000000, -0.0000373800000000, -0.0021763000000000 ] - [ -0.0001899200000000, -0.0008890100000000, -0.0011870500000000 ] - [ 0.0004049200000000, 0.0000291700000000, 0.0018668500000000 ] - [ -0.0003775800000000, 0.0000019400000000, 0.0015343700000000 ] - [ 0.0000145900000000, 0.0003269000000000, 0.0014621900000000 ] - [ -0.0001084800000000, -0.0003663800000000, 0.0014533900000000 ] - [ 0.0002017500000000, 0.0000576800000000, 0.0015914300000000 ] - [ -0.0001781800000000, -0.0000562100000000, 0.0014606400000000 ] - [ -0.0000122200000000, 0.0000251400000000, 0.0018226200000000 ] - [ -0.0000003700000000, -0.0000688700000000, 0.0013347100000000 ] - [ -0.0000223500000000, 0.0009522500000000, 0.0009934900000000 ] - [ -0.0001314800000000, -0.0000230000000000, 0.0004205400000000 ] - [ 0.0015249200000000, -0.0000470700000000, 0.0031740600000000 ] - [ -0.0007475100000000, -0.0008030900000000, 0.0013619100000000 ]- atom: 73 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0025927200000000, 0.0066825100000000, 0.0016781800000000 ] - [ -0.0123547500000000, 0.0041058200000000, -0.0044794100000000 ] - [ -0.0003882800000000, 0.0017578700000000, 0.0003253600000000 ] - [ 0.0011134100000000, -0.0029717700000000, 0.0009648300000000 ] - [ 0.0166429300000000, 0.0144546100000000, 0.0000052700000000 ] - [ -0.0046644700000000, -0.0014264900000000, -0.0019207900000000 ] - [ 0.0029482500000000, 0.0115898100000000, 0.0048701900000000 ] - [ -0.0052609700000000, -0.0130477200000000, -0.0034432800000000 ] - [ 0.0166424000000000, -0.0009715500000000, -0.0013515700000000 ] - [ -0.0156056300000000, -0.0014756200000000, 0.0031097800000000 ] - [ -0.0003586600000000, 0.0027644600000000, 0.0009103900000000 ] - [ 0.0018269600000000, -0.0054429600000000, -0.0004002400000000 ] - [ 0.0398780300000000, -0.0285833600000000, 0.0210297400000000 ] - [ -0.0118847500000000, 0.0003795100000000, -0.0009702300000000 ] - [ 0.0019763900000000, 0.0060164300000000, -0.0006259500000000 ] - [ -0.0001488100000000, -0.0033740900000000, 0.0015675700000000 ] - [ 0.0685460900000000, 0.0038069200000000, -0.0372952200000000 ] - [ -0.0135523000000000, -0.0029951300000000, 0.0001405300000000 ] - [ 0.0000642300000000, 0.0038422900000000, 0.0007523300000000 ] - [ -0.0010808700000000, -0.0025991200000000, 0.0027743900000000 ] - [ 0.0248064900000000, 0.0091687500000000, 0.0141098600000000 ] - [ -0.0062260800000000, 0.0003749700000000, -0.0022359700000000 ] - [ -0.0038315500000000, 0.0081827800000000, -0.0017202300000000 ] - [ 0.0020752000000000, -0.0119629200000000, 0.0005838300000000 ] - [ -0.0004842200000000, 0.0005505200000000, -0.0002566700000000 ] - [ 0.0003908100000000, -0.0006406500000000, 0.0004108000000000 ] - [ 0.0007324400000000, -0.0001335400000000, -0.0004008300000000 ] - [ -0.0006681700000000, 0.0002612600000000, 0.0003007700000000 ] - [ -0.0004045600000000, 0.0001326600000000, -0.0007498400000000 ] - [ 0.0004094000000000, 0.0000042800000000, 0.0006238900000000 ] - [ 0.0000403100000000, 0.0000280700000000, -0.0001743900000000 ] - [ -0.0000575700000000, -0.0000779800000000, 0.0000279400000000 ] - [ 0.0006831900000000, 0.0001575400000000, -0.0002977600000000 ] - [ -0.0006735100000000, -0.0002253300000000, 0.0003496400000000 ] - [ 0.0006635500000000, 0.0003690700000000, 0.0002543800000000 ] - [ -0.0006752600000000, -0.0005032700000000, -0.0003931600000000 ] - [ -0.0009752700000000, 0.0008758000000000, -0.0008330900000000 ] - [ 0.0019506100000000, -0.0024310000000000, 0.0024405300000000 ] - [ -0.0001171200000000, -0.0003178900000000, -0.0026414400000000 ] - [ -0.0008073900000000, 0.0003249200000000, 0.0010636100000000 ] - [ 0.0007349500000000, 0.0009726400000000, -0.0013296100000000 ] - [ -0.0007138200000000, -0.0007324600000000, 0.0003364100000000 ] - [ 0.0021807100000000, 0.0016796700000000, 0.0006979000000000 ] - [ -0.0014326000000000, -0.0003687100000000, -0.0003999400000000 ] - [ -0.0014496200000000, -0.0001520800000000, -0.0031424200000000 ] - [ -0.0007515700000000, 0.0010978500000000, 0.0039919900000000 ] - [ 0.0006067800000000, 0.0003282700000000, 0.0005191200000000 ] - [ -0.0004653200000000, -0.0005240700000000, -0.0006555100000000 ] - [ 0.0045521900000000, 0.0011350400000000, 0.0036838900000000 ] - [ -0.0018166800000000, 0.0005929200000000, -0.0009464800000000 ] - [ -0.0005182000000000, 0.0029686500000000, -0.0041316800000000 ] - [ -0.0000643900000000, -0.0013815700000000, 0.0013478800000000 ] - [ 0.0000349600000000, 0.0020353000000000, 0.0008201000000000 ] - [ -0.0010474900000000, -0.0018164700000000, -0.0019320400000000 ] - [ 0.0055240200000000, -0.0019782500000000, 0.0014462800000000 ] - [ -0.0016888600000000, -0.0009031400000000, -0.0007949200000000 ] - [ -0.0048708400000000, 0.0009971800000000, 0.0061177100000000 ] - [ 0.0023399400000000, -0.0013172500000000, -0.0050554300000000 ] - [ 0.0003776100000000, -0.0003189700000000, 0.0002167400000000 ] - [ -0.0004379500000000, 0.0002443900000000, -0.0004446600000000 ] - [ 0.0006414100000000, -0.0005205100000000, 0.0000759100000000 ] - [ -0.0009692700000000, 0.0004206400000000, 0.0000898200000000 ] - [ 0.0003802400000000, 0.0003365900000000, -0.0007034200000000 ] - [ 0.0000503600000000, -0.0003372600000000, 0.0000956900000000 ] - [ 0.0009395700000000, -0.0001011500000000, -0.0005993300000000 ] - [ -0.0007486700000000, 0.0005066600000000, 0.0010407000000000 ] - [ -0.0003631500000000, -0.0000436100000000, -0.0001408100000000 ] - [ 0.0002662400000000, -0.0001542100000000, -0.0002850400000000 ] - [ 0.0004589900000000, -0.0000319100000000, 0.0004229800000000 ] - [ -0.0003881800000000, -0.0005863000000000, -0.0000588200000000 ] - [ 0.0001827900000000, 0.0012033200000000, 0.0001139200000000 ] - [ -0.0002987500000000, -0.0005550800000000, -0.0004189400000000 ] - [ -0.2229381200000000, -0.0014380100000000, 0.0018955000000000 ] - [ 0.0215958400000000, 0.0011206200000000, 0.0007076000000000 ] - [ 0.0035414600000000, -0.0115073700000000, 0.0000972200000000 ] - [ 0.0015898800000000, 0.0104595000000000, -0.0006844900000000 ] - [ -0.0206199600000000, -0.0023754300000000, -0.0176092500000000 ] - [ 0.0005476400000000, -0.0000202800000000, -0.0000061500000000 ] - [ 0.0466270300000000, -0.0362042100000000, -0.0007255600000000 ] - [ 0.0428207800000000, 0.0392051600000000, 0.0183355600000000 ] - [ -0.0022487900000000, 0.0013497900000000, 0.0002575900000000 ] - [ 0.0012409000000000, -0.0006322800000000, 0.0000113900000000 ] - [ -0.0007658400000000, -0.0019750300000000, -0.0025588100000000 ] - [ 0.0013790000000000, 0.0009859500000000, 0.0023670400000000 ] - [ 0.0003372200000000, -0.0015160500000000, 0.0013716700000000 ] - [ 0.0002611700000000, 0.0015371000000000, -0.0018971500000000 ] - [ -0.0023418300000000, -0.0000338700000000, 0.0004308400000000 ] - [ 0.0018177200000000, 0.0000077000000000, -0.0000394100000000 ] - [ -0.0007687200000000, -0.0022187500000000, -0.0029447300000000 ] - [ 0.0013889600000000, 0.0007425000000000, 0.0021266900000000 ] - [ -0.0022582000000000, 0.0011175600000000, 0.0008366900000000 ] - [ 0.0012387800000000, 0.0006394800000000, 0.0000217400000000 ] - [ -0.0063923000000000, -0.0000065500000000, -0.0000061000000000 ] - [ 0.0056026300000000, 0.0007389500000000, -0.0012386900000000 ] - [ 0.0010739900000000, -0.0033685900000000, 0.0012470600000000 ] - [ -0.0002288900000000, 0.0026342700000000, -0.0000138000000000 ] - [ 0.0102916000000000, -0.0180271500000000, -0.0118357600000000 ] - [ 0.0103460600000000, 0.0065293500000000, 0.0078831200000000 ] - [ -0.0109427200000000, -0.0056359600000000, 0.0037440300000000 ] - [ 0.0034421500000000, 0.0011936300000000, -0.0000475400000000 ] - [ 0.0052623700000000, -0.0051529700000000, 0.0064128400000000 ] - [ 0.0061121600000000, 0.0110153200000000, -0.0077152600000000 ] - [ -0.0083155600000000, 0.0037334700000000, 0.0013508300000000 ] - [ 0.0041117900000000, -0.0012880800000000, 0.0000046800000000 ] - [ -0.0129392800000000, -0.0000071600000000, -0.0000185200000000 ] - [ 0.0041274400000000, 0.0003613100000000, 0.0000844600000000 ] - [ 0.0004713700000000, -0.0021476400000000, -0.0012678600000000 ] - [ 0.0001190800000000, 0.0022734600000000, 0.0011709600000000 ] - [ -0.0005180800000000, -0.0000905600000000, 0.0000493600000000 ] - [ 0.0005557300000000, 0.0000596600000000, -0.0001316100000000 ] - [ 0.0000341400000000, -0.0003004600000000, 0.0000631700000000 ] - [ -0.0000209700000000, 0.0003367000000000, 0.0002213800000000 ] - [ -0.0003417600000000, -0.0000005600000000, 0.0000052000000000 ] - [ 0.0003549800000000, -0.0002703500000000, 0.0000181100000000 ] - [ 0.0000455700000000, -0.0000574500000000, 0.0000485200000000 ] - [ -0.0000998800000000, 0.0002976100000000, -0.0000002700000000 ] - [ -0.0028402600000000, 0.0027178800000000, 0.0036340200000000 ] - [ 0.0006794900000000, -0.0009923600000000, -0.0000185800000000 ] - [ 0.0066988700000000, -0.0018333200000000, 0.0084197000000000 ] - [ 0.0058567600000000, 0.0086968800000000, -0.0121391300000000 ]- atom: 73 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0037407100000000, -0.0065233800000000, -0.0008707700000000 ] - [ 0.0123385000000000, -0.0040344300000000, 0.0044344400000000 ] - [ 0.0004551600000000, -0.0017913500000000, -0.0003248900000000 ] - [ -0.0011189400000000, 0.0030213400000000, -0.0009932300000000 ] - [ -0.0163395600000000, -0.0145397700000000, -0.0000450500000000 ] - [ 0.0046167100000000, 0.0014211300000000, 0.0018877700000000 ] - [ -0.0029886100000000, -0.0116680100000000, -0.0048851300000000 ] - [ 0.0051760900000000, 0.0129556900000000, 0.0034252100000000 ] - [ -0.0166466800000000, 0.0010106100000000, 0.0012423000000000 ] - [ 0.0156614700000000, 0.0014373200000000, -0.0031341300000000 ] - [ 0.0004365200000000, -0.0027991600000000, -0.0009453900000000 ] - [ -0.0018520700000000, 0.0053787900000000, 0.0004140900000000 ] - [ -0.0404638500000000, 0.0301506200000000, -0.0221429000000000 ] - [ 0.0117745200000000, -0.0004238400000000, 0.0010433600000000 ] - [ -0.0019244200000000, -0.0060794500000000, 0.0006855100000000 ] - [ 0.0000918600000000, 0.0033281100000000, -0.0015018100000000 ] - [ -0.0636736500000000, -0.0028871200000000, 0.0344617600000000 ] - [ 0.0135502000000000, 0.0030723600000000, -0.0000582700000000 ] - [ -0.0000660600000000, -0.0037729200000000, -0.0006903700000000 ] - [ 0.0010276700000000, 0.0025798600000000, -0.0027137900000000 ] - [ -0.0247815700000000, -0.0096696800000000, -0.0144027900000000 ] - [ 0.0062465100000000, -0.0003778200000000, 0.0022848000000000 ] - [ 0.0038977300000000, -0.0082867300000000, 0.0017831300000000 ] - [ -0.0020340500000000, 0.0118757600000000, -0.0005074200000000 ] - [ 0.0005257700000000, -0.0005293500000000, 0.0002018100000000 ] - [ -0.0003534400000000, 0.0006655900000000, -0.0004698500000000 ] - [ -0.0006997900000000, 0.0001675400000000, 0.0003331300000000 ] - [ 0.0007121400000000, -0.0002427400000000, -0.0003535000000000 ] - [ 0.0003636600000000, -0.0000965000000000, 0.0006928100000000 ] - [ -0.0004461400000000, 0.0000235000000000, -0.0006785000000000 ] - [ -0.0000869300000000, -0.0000212400000000, 0.0001087100000000 ] - [ 0.0000200300000000, 0.0001010000000000, -0.0000797300000000 ] - [ -0.0006870600000000, -0.0001964900000000, 0.0002487500000000 ] - [ 0.0006755100000000, 0.0001812900000000, -0.0004077500000000 ] - [ -0.0006434000000000, -0.0004142400000000, -0.0003222800000000 ] - [ 0.0006722800000000, 0.0004544900000000, 0.0003389100000000 ] - [ 0.0009781200000000, -0.0009252900000000, 0.0008498500000000 ] - [ -0.0019602500000000, 0.0023952000000000, -0.0024271900000000 ] - [ 0.0001144800000000, 0.0002583800000000, 0.0026590600000000 ] - [ 0.0008080100000000, -0.0003794200000000, -0.0010459800000000 ] - [ -0.0007828000000000, -0.0009502200000000, 0.0013677500000000 ] - [ 0.0006633400000000, 0.0007595600000000, -0.0003124700000000 ] - [ -0.0022124600000000, -0.0016548300000000, -0.0006939800000000 ] - [ 0.0013783600000000, 0.0003868700000000, 0.0004093200000000 ] - [ 0.0014926900000000, 0.0001970100000000, 0.0031476000000000 ] - [ 0.0007940000000000, -0.0010746500000000, -0.0039791300000000 ] - [ -0.0005571800000000, -0.0003126300000000, -0.0004958600000000 ] - [ 0.0005079100000000, 0.0005428800000000, 0.0006776100000000 ] - [ -0.0044980500000000, -0.0010856200000000, -0.0036391300000000 ] - [ 0.0018271300000000, -0.0005612200000000, 0.0009984700000000 ] - [ 0.0005113000000000, -0.0029174900000000, 0.0041548900000000 ] - [ 0.0000721300000000, 0.0013927100000000, -0.0012822800000000 ] - [ -0.0000605600000000, -0.0020361500000000, -0.0007620600000000 ] - [ 0.0009881100000000, 0.0017963500000000, 0.0019430300000000 ] - [ -0.0055426800000000, 0.0019780400000000, -0.0013894400000000 ] - [ 0.0016618500000000, 0.0009010200000000, 0.0008648900000000 ] - [ 0.0048996300000000, -0.0010201700000000, -0.0060592000000000 ] - [ -0.0023343700000000, 0.0012982200000000, 0.0050776500000000 ] - [ -0.0003602100000000, 0.0002989500000000, -0.0001597200000000 ] - [ 0.0004610100000000, -0.0002720900000000, 0.0005000900000000 ] - [ -0.0006479900000000, 0.0004987800000000, -0.0001396800000000 ] - [ 0.0009600500000000, -0.0004526100000000, -0.0001362000000000 ] - [ -0.0003938500000000, -0.0003573100000000, 0.0006523600000000 ] - [ -0.0000689000000000, 0.0003206700000000, -0.0001525400000000 ] - [ -0.0009739000000000, 0.0001153600000000, 0.0005428200000000 ] - [ 0.0007406800000000, -0.0004825500000000, -0.0010938400000000 ] - [ 0.0003612000000000, 0.0000637800000000, 0.0000814400000000 ] - [ -0.0002783300000000, 0.0001765400000000, 0.0002322100000000 ] - [ -0.0004359800000000, 0.0000361500000000, -0.0004852000000000 ] - [ 0.0004105500000000, 0.0005727700000000, 0.0000022500000000 ] - [ -0.0001569500000000, -0.0012057700000000, -0.0001659200000000 ] - [ 0.0003270600000000, 0.0005632100000000, 0.0003674200000000 ] - [ 0.2192394800000000, -0.0014328600000000, 0.0018204500000000 ] - [ -0.0215595400000000, -0.0011658600000000, -0.0006154100000000 ] - [ -0.0035583500000000, 0.0115906300000000, -0.0000166400000000 ] - [ -0.0015487400000000, -0.0103582600000000, 0.0007352100000000 ] - [ 0.0205614000000000, 0.0026743200000000, 0.0175010200000000 ] - [ -0.0005515300000000, -0.0000237100000000, -0.0000065200000000 ] - [ -0.0470829700000000, 0.0366301700000000, 0.0007774100000000 ] - [ -0.0421412600000000, -0.0386757500000000, -0.0182565000000000 ] - [ 0.0022603700000000, -0.0013565200000000, -0.0002357300000000 ] - [ -0.0012355600000000, 0.0006343300000000, 0.0000047900000000 ] - [ 0.0007580200000000, 0.0019806800000000, 0.0026004400000000 ] - [ -0.0013796300000000, -0.0009787900000000, -0.0023341800000000 ] - [ -0.0003396600000000, 0.0014967400000000, -0.0014415500000000 ] - [ -0.0002695700000000, -0.0015490400000000, 0.0018361100000000 ] - [ 0.0023396200000000, 0.0000433100000000, -0.0004712200000000 ] - [ -0.0018201300000000, 0.0000037800000000, -0.0000296300000000 ] - [ 0.0007550100000000, 0.0022156000000000, 0.0029576700000000 ] - [ -0.0013710300000000, -0.0007405100000000, -0.0021155100000000 ] - [ 0.0022476000000000, -0.0011143500000000, -0.0008280300000000 ] - [ -0.0012345200000000, -0.0006270700000000, 0.0000062900000000 ] - [ 0.0063696500000000, -0.0000075900000000, 0.0000048400000000 ] - [ -0.0055928500000000, -0.0007565300000000, 0.0012351300000000 ] - [ -0.0010607100000000, 0.0033579600000000, -0.0012400800000000 ] - [ 0.0002270300000000, -0.0025996900000000, 0.0000148600000000 ] - [ -0.0102180500000000, 0.0178523800000000, 0.0116250400000000 ] - [ -0.0102782600000000, -0.0065901100000000, -0.0079878100000000 ] - [ 0.0109209800000000, 0.0056382500000000, -0.0038363300000000 ] - [ -0.0034430800000000, -0.0011623900000000, -0.0000479500000000 ] - [ -0.0052878700000000, 0.0050879800000000, -0.0063920000000000 ] - [ -0.0061486800000000, -0.0110909100000000, 0.0077647900000000 ] - [ 0.0082943000000000, -0.0036831700000000, -0.0013249900000000 ] - [ -0.0040960800000000, 0.0013218900000000, 0.0000038700000000 ] - [ 0.0129559800000000, -0.0000385300000000, -0.0000131600000000 ] - [ -0.0041205600000000, -0.0003704400000000, -0.0000767100000000 ] - [ -0.0004852600000000, 0.0021611500000000, 0.0012555300000000 ] - [ -0.0001135400000000, -0.0022566400000000, -0.0011792200000000 ] - [ 0.0005168900000000, 0.0000912800000000, 0.0000436500000000 ] - [ -0.0005558700000000, -0.0000622200000000, 0.0002275300000000 ] - [ -0.0000306900000000, 0.0003014300000000, 0.0000323800000000 ] - [ 0.0000208600000000, -0.0003341300000000, -0.0001300800000000 ] - [ 0.0003378300000000, 0.0000008600000000, 0.0000292200000000 ] - [ -0.0003560900000000, 0.0002713200000000, 0.0000169900000000 ] - [ -0.0000406900000000, 0.0000574900000000, -0.0000104600000000 ] - [ 0.0000970400000000, -0.0003019400000000, 0.0000343800000000 ] - [ 0.0028184400000000, -0.0026477000000000, -0.0035981100000000 ] - [ -0.0006749000000000, 0.0009833500000000, -0.0000188900000000 ] - [ -0.0066861700000000, 0.0018383500000000, -0.0084985500000000 ] - [ -0.0058272100000000, -0.0086437000000000, 0.0120098100000000 ]- atom: 73 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0004278100000000, -0.0089103700000000, 0.0264984000000000 ] - [ -0.0035885100000000, 0.0003731200000000, 0.0037664100000000 ] - [ 0.0009032600000000, 0.0007757300000000, 0.0022789600000000 ] - [ -0.0004984500000000, -0.0024835200000000, 0.0026009500000000 ] - [ 0.0075027000000000, 0.0048256800000000, 0.0264984000000000 ] - [ 0.0024000200000000, 0.0008100900000000, 0.0026009500000000 ] - [ 0.0014711200000000, -0.0032943100000000, 0.0037664100000000 ] - [ -0.0011234300000000, 0.0003943800000000, 0.0022789600000000 ] - [ -0.0079305100000000, 0.0040846900000000, 0.0264984000000000 ] - [ 0.0002201700000000, -0.0011701100000000, 0.0022789600000000 ] - [ -0.0019015700000000, 0.0016734300000000, 0.0026009500000000 ] - [ 0.0021173900000000, 0.0029211800000000, 0.0037664100000000 ] - [ 0.0098870500000000, -0.0232661100000000, 0.0378275400000000 ] - [ 0.0010176100000000, 0.0009016200000000, 0.0050910800000000 ] - [ 0.0016031800000000, -0.0039088200000000, 0.0057814600000000 ] - [ -0.0012093600000000, -0.0021628300000000, 0.0029260000000000 ] - [ -0.0250925700000000, 0.0030706200000000, 0.0378275400000000 ] - [ -0.0041867200000000, 0.0005660200000000, 0.0057814600000000 ] - [ -0.0012683900000000, 0.0021287500000000, 0.0029260000000000 ] - [ 0.0002720200000000, -0.0013320900000000, 0.0050910800000000 ] - [ 0.0152055200000000, 0.0201954900000000, 0.0378275400000000 ] - [ 0.0024777500000000, 0.0000340800000000, 0.0029260000000000 ] - [ -0.0012896300000000, 0.0004304700000000, 0.0050910800000000 ] - [ 0.0025835500000000, 0.0033428000000000, 0.0057814600000000 ] - [ -0.0004701200000000, 0.0008410600000000, -0.0016912800000000 ] - [ 0.0001111800000000, 0.0009372600000000, -0.0023267000000000 ] - [ -0.0000070700000000, 0.0005116200000000, -0.0020027300000000 ] - [ 0.0003520900000000, 0.0002550100000000, -0.0016344800000000 ] - [ -0.0008672900000000, -0.0003723400000000, -0.0023267000000000 ] - [ -0.0004395400000000, -0.0002619300000000, -0.0020027300000000 ] - [ -0.0004933200000000, -0.0008276700000000, -0.0016912800000000 ] - [ -0.0003968900000000, 0.0001774200000000, -0.0016344800000000 ] - [ 0.0004466100000000, -0.0002496900000000, -0.0020027300000000 ] - [ 0.0009634400000000, -0.0000134000000000, -0.0016912800000000 ] - [ 0.0007561000000000, -0.0005649200000000, -0.0023267000000000 ] - [ 0.0000448000000000, -0.0004324300000000, -0.0016344800000000 ] - [ -0.0004931100000000, 0.0004021100000000, -0.0006120900000000 ] - [ 0.0007897500000000, 0.0031677200000000, -0.0044997500000000 ] - [ -0.0007463300000000, -0.0005929800000000, -0.0021173400000000 ] - [ 0.0007047400000000, -0.0005273500000000, -0.0001521400000000 ] - [ -0.0001403700000000, 0.0009428300000000, -0.0021173400000000 ] - [ 0.0005948000000000, 0.0002259900000000, -0.0006120900000000 ] - [ 0.0023484500000000, -0.0022678100000000, -0.0044997500000000 ] - [ -0.0008090700000000, -0.0003466400000000, -0.0001521400000000 ] - [ -0.0031382000000000, -0.0008999100000000, -0.0044997500000000 ] - [ 0.0008867000000000, -0.0003498500000000, -0.0021173400000000 ] - [ -0.0001016800000000, -0.0006281000000000, -0.0006120900000000 ] - [ 0.0001043300000000, 0.0008740000000000, -0.0001521400000000 ] - [ 0.0016381900000000, -0.0003742200000000, -0.0046556700000000 ] - [ -0.0005662000000000, -0.0000145000000000, -0.0002000100000000 ] - [ -0.0009584100000000, 0.0022506900000000, -0.0023048600000000 ] - [ 0.0005895200000000, -0.0000304800000000, -0.0000555800000000 ] - [ 0.0002956600000000, -0.0004831000000000, -0.0002000100000000 ] - [ -0.0014699500000000, -0.0019553500000000, -0.0023048600000000 ] - [ -0.0004950100000000, 0.0016058300000000, -0.0046556700000000 ] - [ -0.0002683700000000, 0.0005257800000000, -0.0000555800000000 ] - [ 0.0024283600000000, -0.0002953400000000, -0.0023048600000000 ] - [ -0.0011431800000000, -0.0012316100000000, -0.0046556700000000 ] - [ 0.0002705500000000, 0.0004976000000000, -0.0002000100000000 ] - [ -0.0003211500000000, -0.0004953000000000, -0.0000555800000000 ] - [ 0.0008499500000000, 0.0004627700000000, -0.0026082100000000 ] - [ -0.0005108400000000, 0.0006656200000000, -0.0017694300000000 ] - [ -0.0005504100000000, 0.0010942100000000, -0.0018845300000000 ] - [ 0.0001526100000000, 0.0001634400000000, -0.0013654900000000 ] - [ -0.0000242100000000, -0.0009674600000000, -0.0026082100000000 ] - [ 0.0012228100000000, -0.0000704300000000, -0.0018845300000000 ] - [ 0.0000652400000000, -0.0002138800000000, -0.0013654900000000 ] - [ 0.0008318600000000, 0.0001095800000000, -0.0017694300000000 ] - [ -0.0008257400000000, 0.0005047000000000, -0.0026082100000000 ] - [ -0.0002178500000000, 0.0000504400000000, -0.0013654900000000 ] - [ -0.0003210300000000, -0.0007752100000000, -0.0017694300000000 ] - [ -0.0006724000000000, -0.0010237700000000, -0.0018845300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.1731593000000000 ] - [ 0.0006630400000000, -0.0004349000000000, -0.0064150900000000 ] - [ 0.0000451100000000, 0.0007916600000000, -0.0064150900000000 ] - [ -0.0007081600000000, -0.0003567600000000, -0.0064150900000000 ] - [ -0.0176606200000000, -0.0110181200000000, -0.0326213300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0056548900000000 ] - [ -0.0007116600000000, 0.0208036100000000, -0.0326213300000000 ] - [ 0.0183722800000000, -0.0097854900000000, -0.0326213300000000 ] - [ 0.0008397200000000, -0.0029621700000000, 0.0036007500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016180900000000 ] - [ -0.0029851700000000, 0.0007538600000000, 0.0036007500000000 ] - [ 0.0021454500000000, 0.0022083000000000, 0.0036007500000000 ] - [ 0.0014241900000000, -0.0013489800000000, 0.0036738500000000 ] - [ -0.0018803500000000, -0.0005589000000000, 0.0036738500000000 ] - [ 0.0004561600000000, 0.0019078800000000, 0.0036738500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016309100000000 ] - [ -0.0025910900000000, 0.0012246700000000, 0.0035886600000000 ] - [ 0.0023561400000000, 0.0016316100000000, 0.0035886600000000 ] - [ 0.0002349500000000, -0.0028562800000000, 0.0035886600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016243400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0093350000000000 ] - [ -0.0012455900000000, -0.0007237600000000, 0.0019154500000000 ] - [ 0.0012495900000000, -0.0007168400000000, 0.0019154500000000 ] - [ -0.0000040000000000, 0.0014406000000000, 0.0019154500000000 ] - [ -0.0085919700000000, 0.0081397500000000, 0.0024670300000000 ] - [ 0.0113452200000000, 0.0033709900000000, 0.0024670300000000 ] - [ -0.0027532500000000, -0.0115107400000000, 0.0024670300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012686700000000 ] - [ 0.0087163700000000, -0.0023699000000000, 0.0030824600000000 ] - [ -0.0064105800000000, -0.0063636500000000, 0.0030824600000000 ] - [ -0.0023057900000000, 0.0087335500000000, 0.0030824600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004280100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0271139600000000 ] - [ -0.0003330900000000, 0.0000508400000000, -0.0002480300000000 ] - [ 0.0001225200000000, -0.0003138900000000, -0.0002480300000000 ] - [ 0.0002105800000000, 0.0002630500000000, -0.0002480300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0031286600000000 ] - [ 0.0000906300000000, -0.0001092000000000, 0.0024354400000000 ] - [ 0.0000492500000000, 0.0001330900000000, 0.0024354400000000 ] - [ -0.0001398800000000, -0.0000238900000000, 0.0024354400000000 ] - [ 0.0000188700000000, 0.0003631700000000, 0.0026314000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0024139300000000 ] - [ 0.0003050800000000, -0.0001979200000000, 0.0026314000000000 ] - [ -0.0003239500000000, -0.0001652500000000, 0.0026314000000000 ] - [ -0.0009971900000000, 0.0068775300000000, 0.0038205000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008188800000000 ] - [ 0.0064547100000000, -0.0025751700000000, 0.0038205000000000 ] - [ -0.0054575200000000, -0.0043023500000000, 0.0038205000000000 ]- atom: 73 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0010748800000000, 0.0088876400000000, -0.0260270200000000 ] - [ 0.0035488900000000, -0.0003140900000000, -0.0037303400000000 ] - [ -0.0008776500000000, -0.0007308300000000, -0.0022820300000000 ] - [ 0.0004972400000000, 0.0025277500000000, -0.0026037100000000 ] - [ -0.0071594900000000, -0.0053746900000000, -0.0260270200000000 ] - [ -0.0024377100000000, -0.0008332500000000, -0.0026037100000000 ] - [ -0.0015024300000000, 0.0032304700000000, -0.0037303400000000 ] - [ 0.0010717400000000, -0.0003946600000000, -0.0022820300000000 ] - [ 0.0082343600000000, -0.0035129500000000, -0.0260270200000000 ] - [ -0.0001940900000000, 0.0011254800000000, -0.0022820300000000 ] - [ 0.0019404700000000, -0.0016945000000000, -0.0026037100000000 ] - [ -0.0020464500000000, -0.0029163800000000, -0.0037303400000000 ] - [ -0.0109380400000000, 0.0244366200000000, -0.0383212100000000 ] - [ -0.0010253000000000, -0.0009325000000000, -0.0049815500000000 ] - [ -0.0016150000000000, 0.0038303100000000, -0.0056537300000000 ] - [ 0.0011557100000000, 0.0021050700000000, -0.0028444000000000 ] - [ 0.0266317500000000, -0.0027456900000000, -0.0383212100000000 ] - [ 0.0041246400000000, -0.0005165200000000, -0.0056537300000000 ] - [ 0.0012451900000000, -0.0020534100000000, -0.0028444000000000 ] - [ -0.0002949200000000, 0.0013541900000000, -0.0049815500000000 ] - [ -0.0156937100000000, -0.0216909300000000, -0.0383212100000000 ] - [ -0.0024009000000000, -0.0000516600000000, -0.0028444000000000 ] - [ 0.0013202200000000, -0.0004216900000000, -0.0049815500000000 ] - [ -0.0025096400000000, -0.0033137900000000, -0.0056537300000000 ] - [ 0.0004965800000000, -0.0007944700000000, 0.0016157400000000 ] - [ -0.0000721700000000, -0.0008857900000000, 0.0022389500000000 ] - [ 0.0000408700000000, -0.0004705300000000, 0.0019241500000000 ] - [ -0.0003083200000000, -0.0002188200000000, 0.0015617500000000 ] - [ 0.0008032100000000, 0.0003804000000000, 0.0022389500000000 ] - [ 0.0003870600000000, 0.0002706600000000, 0.0019241500000000 ] - [ 0.0004397400000000, 0.0008272900000000, 0.0016157400000000 ] - [ 0.0003436600000000, -0.0001576000000000, 0.0015617500000000 ] - [ -0.0004279200000000, 0.0001998700000000, 0.0019241500000000 ] - [ -0.0009363200000000, -0.0000328200000000, 0.0016157400000000 ] - [ -0.0007310400000000, 0.0005054000000000, 0.0022389500000000 ] - [ -0.0000353400000000, 0.0003764200000000, 0.0015617500000000 ] - [ 0.0004825400000000, -0.0004620200000000, 0.0006409600000000 ] - [ -0.0007732400000000, -0.0031717100000000, 0.0044600100000000 ] - [ 0.0007303600000000, 0.0005164500000000, 0.0021265700000000 ] - [ -0.0006915300000000, 0.0004515700000000, 0.0001903800000000 ] - [ 0.0000820700000000, -0.0008907400000000, 0.0021265700000000 ] - [ -0.0006413900000000, -0.0001868800000000, 0.0006409600000000 ] - [ -0.0023601600000000, 0.0022555000000000, 0.0044600100000000 ] - [ 0.0007368400000000, 0.0003731000000000, 0.0001903800000000 ] - [ 0.0031334000000000, 0.0009162100000000, 0.0044600100000000 ] - [ -0.0008124400000000, 0.0003742900000000, 0.0021265700000000 ] - [ 0.0001588500000000, 0.0006489000000000, 0.0006409600000000 ] - [ -0.0000453100000000, -0.0008246700000000, 0.0001903800000000 ] - [ -0.0016414500000000, 0.0004368500000000, 0.0046683600000000 ] - [ 0.0005778600000000, 0.0000497500000000, 0.0002404600000000 ] - [ 0.0009590800000000, -0.0021853800000000, 0.0023117300000000 ] - [ -0.0005745400000000, 0.0000670700000000, 0.0000924900000000 ] - [ -0.0003320100000000, 0.0004755700000000, 0.0002404600000000 ] - [ 0.0014130500000000, 0.0019232800000000, 0.0023117300000000 ] - [ 0.0004424000000000, -0.0016399600000000, 0.0046683600000000 ] - [ 0.0002291800000000, -0.0005311000000000, 0.0000924900000000 ] - [ -0.0023721300000000, 0.0002621000000000, 0.0023117300000000 ] - [ 0.0011990500000000, 0.0012031100000000, 0.0046683600000000 ] - [ -0.0002458500000000, -0.0005253100000000, 0.0002404600000000 ] - [ 0.0003453600000000, 0.0004640300000000, 0.0000924900000000 ] - [ -0.0008571800000000, -0.0004903000000000, 0.0025390600000000 ] - [ 0.0005003300000000, -0.0006915500000000, 0.0017048100000000 ] - [ 0.0005398600000000, -0.0011177300000000, 0.0018140200000000 ] - [ -0.0001586700000000, -0.0001918600000000, 0.0013018600000000 ] - [ 0.0000039800000000, 0.0009874900000000, 0.0025390600000000 ] - [ -0.0012379100000000, 0.0000913400000000, 0.0018140200000000 ] - [ -0.0000868200000000, 0.0002333400000000, 0.0013018600000000 ] - [ -0.0008490600000000, -0.0000875300000000, 0.0017048100000000 ] - [ 0.0008532000000000, -0.0004971900000000, 0.0025390600000000 ] - [ 0.0002454900000000, -0.0000414800000000, 0.0013018600000000 ] - [ 0.0003487300000000, 0.0007790700000000, 0.0017048100000000 ] - [ 0.0006980600000000, 0.0010264000000000, 0.0018140200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.1736010700000000 ] - [ -0.0006555300000000, 0.0004455200000000, 0.0064097400000000 ] - [ -0.0000580600000000, -0.0007904700000000, 0.0064097400000000 ] - [ 0.0007136000000000, 0.0003449500000000, 0.0064097400000000 ] - [ 0.0174577500000000, 0.0109934500000000, 0.0321967900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0055930000000000 ] - [ 0.0007917300000000, -0.0206155800000000, 0.0321967900000000 ] - [ -0.0182494800000000, 0.0096221300000000, 0.0321967900000000 ] - [ -0.0008261100000000, 0.0029020500000000, -0.0035494500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016096800000000 ] - [ 0.0029263100000000, -0.0007355900000000, -0.0035494500000000 ] - [ -0.0021002000000000, -0.0021664600000000, -0.0035494500000000 ] - [ -0.0013981600000000, 0.0013230200000000, -0.0036769200000000 ] - [ 0.0018448500000000, 0.0005493300000000, -0.0036769200000000 ] - [ -0.0004466900000000, -0.0018723500000000, -0.0036769200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016696200000000 ] - [ 0.0025851900000000, -0.0012106800000000, -0.0035597900000000 ] - [ -0.0023410700000000, -0.0016335000000000, -0.0035597900000000 ] - [ -0.0002441200000000, 0.0028441800000000, -0.0035597900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015997700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0093400600000000 ] - [ 0.0012278100000000, 0.0007233600000000, -0.0018732500000000 ] - [ -0.0012403500000000, 0.0007016300000000, -0.0018732500000000 ] - [ 0.0000125400000000, -0.0014249900000000, -0.0018732500000000 ] - [ 0.0085717200000000, -0.0080860900000000, -0.0025016100000000 ] - [ -0.0112886200000000, -0.0033802800000000, -0.0025016100000000 ] - [ 0.0027169000000000, 0.0114663700000000, -0.0025016100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011892300000000 ] - [ -0.0085803600000000, 0.0023211400000000, -0.0030594900000000 ] - [ 0.0063003500000000, 0.0062702400000000, -0.0030594900000000 ] - [ 0.0022800100000000, -0.0085913800000000, -0.0030594900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004050800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0266592500000000 ] - [ 0.0003309400000000, -0.0000483400000000, 0.0002248700000000 ] - [ -0.0001236100000000, 0.0003107700000000, 0.0002248700000000 ] - [ -0.0002073300000000, -0.0002624300000000, 0.0002248700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0030135500000000 ] - [ -0.0000893600000000, 0.0001072500000000, -0.0023267700000000 ] - [ -0.0000482100000000, -0.0001310100000000, -0.0023267700000000 ] - [ 0.0001375600000000, 0.0000237600000000, -0.0023267700000000 ] - [ -0.0000190400000000, -0.0003612500000000, -0.0025742400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0023588200000000 ] - [ -0.0003033300000000, 0.0001971100000000, -0.0025742400000000 ] - [ 0.0003223700000000, 0.0001641400000000, -0.0025742400000000 ] - [ 0.0009778400000000, -0.0068536000000000, -0.0038073700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007929000000000 ] - [ -0.0064243100000000, 0.0025799700000000, -0.0038073700000000 ] - [ 0.0054464800000000, 0.0042736300000000, -0.0038073700000000 ]- atom: 97 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0022593100000000, 0.0008593100000000, 0.0008076200000000 ] - [ 0.0030964900000000, -0.0020055900000000, -0.0010898200000000 ] - [ 0.0007389000000000, -0.0019417000000000, 0.0021781200000000 ] - [ -0.0027443800000000, 0.0026888300000000, -0.0010905200000000 ] - [ -0.0001178900000000, -0.0001144100000000, 0.0023366900000000 ] - [ -0.0022514500000000, -0.0001395000000000, -0.0040284600000000 ] - [ 0.0001320400000000, -0.0009776800000000, 0.0007125500000000 ] - [ 0.0002349800000000, 0.0010720000000000, 0.0000061900000000 ] - [ 0.0008663300000000, 0.0015017600000000, 0.0018245300000000 ] - [ -0.0025949900000000, -0.0021772200000000, -0.0015573900000000 ] - [ 0.0031926000000000, 0.0016723200000000, -0.0012870000000000 ] - [ -0.0025954700000000, -0.0007536700000000, 0.0010371800000000 ] - [ -0.0025779500000000, 0.0021095500000000, -0.0003288200000000 ] - [ 0.0031143300000000, -0.0044782400000000, -0.0003040800000000 ] - [ 0.0121343500000000, 0.0119464200000000, -0.0061699600000000 ] - [ -0.0035822800000000, 0.0022718000000000, -0.0009121900000000 ] - [ 0.0087459400000000, -0.0127002600000000, -0.0054425800000000 ] - [ -0.0050039700000000, -0.0017572900000000, 0.0009177600000000 ] - [ 0.0037396600000000, 0.0040346100000000, -0.0019324200000000 ] - [ -0.0022208900000000, -0.0016314600000000, 0.0005485000000000 ] - [ -0.0038859700000000, 0.0002543000000000, 0.0022654500000000 ] - [ 0.0333704900000000, -0.0033439000000000, 0.0125747500000000 ] - [ -0.0003823900000000, -0.0019679600000000, -0.0005286700000000 ] - [ 0.0005492600000000, 0.0014792600000000, 0.0004309300000000 ] - [ 0.0001803300000000, -0.0000056500000000, -0.0000119100000000 ] - [ -0.0001304800000000, 0.0000012000000000, -0.0000263100000000 ] - [ 0.0000298300000000, 0.0001626600000000, -0.0002310200000000 ] - [ -0.0000031400000000, -0.0000984200000000, 0.0001559800000000 ] - [ 0.0001549100000000, -0.0000043600000000, -0.0000080300000000 ] - [ -0.0002160700000000, -0.0000405400000000, -0.0001590600000000 ] - [ -0.0000511100000000, 0.0001611300000000, -0.0000856000000000 ] - [ 0.0000560000000000, -0.0000664200000000, 0.0001268100000000 ] - [ 0.0001543300000000, -0.0000566900000000, -0.0000540100000000 ] - [ -0.0001580600000000, -0.0000467800000000, 0.0000262600000000 ] - [ -0.0000635400000000, 0.0000442800000000, -0.0000683500000000 ] - [ 0.0000438700000000, -0.0000604300000000, 0.0000350300000000 ] - [ 0.0001862700000000, 0.0001282500000000, -0.0003945100000000 ] - [ -0.0001889700000000, -0.0001570500000000, 0.0003897000000000 ] - [ 0.0000467400000000, 0.0001354100000000, 0.0000018100000000 ] - [ -0.0000388000000000, -0.0002484400000000, 0.0001188700000000 ] - [ 0.0001748800000000, 0.0000033000000000, 0.0001882900000000 ] - [ -0.0001855800000000, 0.0000971200000000, -0.0002654800000000 ] - [ -0.0002073100000000, 0.0000992900000000, 0.0002761200000000 ] - [ 0.0001322000000000, -0.0001174900000000, -0.0001793800000000 ] - [ 0.0003617300000000, 0.0000965000000000, 0.0002393100000000 ] - [ -0.0003554000000000, -0.0001920500000000, -0.0003624300000000 ] - [ 0.0000098700000000, 0.0001768700000000, -0.0001741300000000 ] - [ 0.0000367300000000, -0.0000488700000000, 0.0003009400000000 ] - [ 0.0056356500000000, 0.0019868100000000, 0.0006978500000000 ] - [ -0.0029755400000000, -0.0002010000000000, 0.0019968200000000 ] - [ -0.0006194700000000, 0.0011727400000000, -0.0001980400000000 ] - [ 0.0002271300000000, -0.0008072300000000, 0.0002193200000000 ] - [ 0.0044386000000000, -0.0005110900000000, -0.0008779900000000 ] - [ -0.0017233100000000, -0.0005652300000000, -0.0008352100000000 ] - [ 0.0002696400000000, 0.0029527600000000, -0.0003298600000000 ] - [ -0.0008043400000000, -0.0016805100000000, 0.0001104000000000 ] - [ 0.0030477900000000, 0.0018801100000000, -0.0000714000000000 ] - [ -0.0031653800000000, -0.0001292800000000, 0.0001765400000000 ] - [ -0.0005167100000000, 0.0009731200000000, 0.0007036100000000 ] - [ 0.0013916600000000, -0.0014564400000000, -0.0015646300000000 ] - [ 0.0021589200000000, 0.0004406300000000, -0.0015387100000000 ] - [ -0.0012786300000000, 0.0002455500000000, 0.0007260100000000 ] - [ -0.0005605100000000, 0.0006486400000000, -0.0000030100000000 ] - [ 0.0001918000000000, -0.0004334800000000, 0.0001045500000000 ] - [ -0.0018165800000000, -0.0007247300000000, -0.0008534700000000 ] - [ 0.0013348100000000, 0.0010745500000000, 0.0007668600000000 ] - [ 0.0002221700000000, 0.0001432400000000, 0.0002921700000000 ] - [ 0.0002062700000000, 0.0002624100000000, -0.0000696100000000 ] - [ -0.0004016500000000, 0.0014872500000000, -0.0010932600000000 ] - [ 0.0000430100000000, -0.0011309400000000, 0.0007813100000000 ] - [ 0.0012279900000000, 0.0000193800000000, 0.0006869700000000 ] - [ -0.0003625100000000, -0.0000848700000000, -0.0001055700000000 ] - [ 0.0102722000000000, -0.0065390700000000, -0.0085205500000000 ] - [ 0.0103454500000000, 0.0179125600000000, 0.0113863900000000 ] - [ -0.0109593700000000, 0.0057446800000000, -0.0027247300000000 ] - [ 0.0034442500000000, -0.0011790900000000, 0.0000288900000000 ] - [ 0.0061444300000000, 0.0045958000000000, -0.0063416600000000 ] - [ 0.0052895800000000, -0.0115568400000000, 0.0086665000000000 ] - [ 0.0041060300000000, 0.0013110900000000, -0.0000004900000000 ] - [ -0.0083180400000000, -0.0027380600000000, -0.0023088600000000 ] - [ -0.0000994300000000, 0.0001414800000000, -0.0003213800000000 ] - [ 0.0000426900000000, -0.0002206900000000, 0.0003056900000000 ] - [ 0.0003622000000000, 0.0002731600000000, 0.0000028800000000 ] - [ -0.0003421200000000, -0.0001595200000000, 0.0000186800000000 ] - [ -0.0005168800000000, 0.0000909900000000, -0.0000283700000000 ] - [ 0.0005540300000000, -0.0000060700000000, 0.0000612000000000 ] - [ 0.0000313900000000, -0.0003665300000000, 0.0000226500000000 ] - [ -0.0000239200000000, 0.0002710800000000, -0.0001707800000000 ] - [ -0.0129231500000000, -0.0000248400000000, 0.0000431100000000 ] - [ 0.0041227100000000, 0.0000532200000000, -0.0003457100000000 ] - [ 0.0004705900000000, -0.0024661300000000, 0.0001199600000000 ] - [ 0.0001193200000000, 0.0019463900000000, 0.0002121900000000 ] - [ 0.0066828500000000, -0.0081672700000000, 0.0064165900000000 ] - [ 0.0058215700000000, 0.0023312000000000, -0.0054645500000000 ] - [ -0.0028107900000000, -0.0036358200000000, -0.0009722500000000 ] - [ 0.0006735500000000, 0.0009844000000000, -0.0000001200000000 ] - [ -0.0923354200000000, 0.0001564100000000, -0.0005765200000000 ] - [ 0.0043482900000000, -0.0001936600000000, 0.0000697800000000 ] - [ 0.0004468600000000, -0.0020609900000000, -0.0001002200000000 ] - [ 0.0007846800000000, 0.0022551200000000, -0.0000857300000000 ] - [ -0.0020467400000000, -0.0000017100000000, -0.0000042800000000 ] - [ 0.0017166600000000, -0.0000807600000000, 0.0000466200000000 ] - [ -0.0001014700000000, -0.0009704500000000, -0.0000162500000000 ] - [ 0.0000357500000000, 0.0010531100000000, -0.0000239600000000 ] - [ 0.0001313000000000, -0.0002812100000000, -0.0008584600000000 ] - [ -0.0001400800000000, 0.0003911400000000, 0.0009544900000000 ] - [ -0.0005893800000000, -0.0001790600000000, -0.0001091800000000 ] - [ 0.0005440300000000, 0.0000180900000000, -0.0000046900000000 ] - [ 0.0000230900000000, 0.0000374100000000, 0.0004525400000000 ] - [ -0.0000096200000000, -0.0000206500000000, -0.0002521600000000 ] - [ 0.0000582400000000, -0.0000171200000000, -0.0000656100000000 ] - [ -0.0000200800000000, -0.0000002800000000, 0.0000418400000000 ] - [ -0.0001390700000000, 0.0004382700000000, 0.0003929500000000 ] - [ 0.0001288700000000, -0.0002364000000000, -0.0002488800000000 ] - [ 0.0005457700000000, -0.0000179000000000, 0.0000135900000000 ] - [ -0.0005896700000000, -0.0001370400000000, -0.0001072200000000 ] - [ 0.0116931300000000, 0.0097401300000000, 0.0050697900000000 ] - [ 0.0114010200000000, -0.0101348700000000, -0.0065079700000000 ] - [ 0.0014461300000000, 0.0000019900000000, -0.0000137700000000 ] - [ -0.0056598800000000, 0.0002177700000000, 0.0013191000000000 ]- atom: 97 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0022659900000000, -0.0008078800000000, -0.0008392400000000 ] - [ -0.0030782600000000, 0.0020498300000000, 0.0010628800000000 ] - [ -0.0007419300000000, 0.0020000400000000, -0.0021993500000000 ] - [ 0.0027447900000000, -0.0026204200000000, 0.0010515400000000 ] - [ 0.0000599900000000, 0.0000922600000000, -0.0023718600000000 ] - [ 0.0021939700000000, 0.0001135800000000, 0.0040042500000000 ] - [ -0.0001824800000000, 0.0009463100000000, -0.0007358600000000 ] - [ -0.0002824300000000, -0.0010780700000000, -0.0000316800000000 ] - [ -0.0008358300000000, -0.0015354300000000, -0.0018418600000000 ] - [ 0.0026376000000000, 0.0021407300000000, 0.0015241200000000 ] - [ -0.0031284200000000, -0.0017011800000000, 0.0012586600000000 ] - [ 0.0026402400000000, 0.0007223900000000, -0.0010710900000000 ] - [ 0.0025363800000000, -0.0021428500000000, 0.0003784000000000 ] - [ -0.0031444500000000, 0.0044574500000000, 0.0003399600000000 ] - [ -0.0122536000000000, -0.0124999300000000, 0.0065269500000000 ] - [ 0.0035369100000000, -0.0022970800000000, 0.0009528000000000 ] - [ -0.0088002200000000, 0.0131405400000000, 0.0056972000000000 ] - [ 0.0049980700000000, 0.0017990400000000, -0.0008766900000000 ] - [ -0.0037111400000000, -0.0039669300000000, 0.0019666600000000 ] - [ 0.0022019100000000, 0.0016813400000000, -0.0005012200000000 ] - [ 0.0039372600000000, -0.0002997800000000, -0.0022646500000000 ] - [ -0.0311713200000000, 0.0032900400000000, -0.0112707700000000 ] - [ 0.0004229600000000, 0.0019257500000000, 0.0005744400000000 ] - [ -0.0005029200000000, -0.0014854000000000, -0.0003793600000000 ] - [ -0.0001365300000000, 0.0000281400000000, -0.0000433900000000 ] - [ 0.0001720200000000, 0.0000228700000000, -0.0000276400000000 ] - [ 0.0000081100000000, -0.0001322200000000, 0.0001721700000000 ] - [ 0.0000475800000000, 0.0001176100000000, -0.0002075200000000 ] - [ -0.0001973700000000, 0.0000353900000000, -0.0000455000000000 ] - [ 0.0001759900000000, 0.0000656800000000, 0.0001093000000000 ] - [ 0.0000045200000000, -0.0001439200000000, 0.0000281000000000 ] - [ -0.0000964200000000, 0.0000945100000000, -0.0001802200000000 ] - [ -0.0001563700000000, 0.0000102300000000, 0.0000009500000000 ] - [ 0.0001630700000000, -0.0000011000000000, -0.0000806900000000 ] - [ 0.0000747300000000, -0.0000939800000000, 0.0000118100000000 ] - [ -0.0000467900000000, 0.0000117500000000, -0.0000873100000000 ] - [ -0.0001874400000000, -0.0001877900000000, 0.0004239400000000 ] - [ 0.0001855100000000, 0.0001016200000000, -0.0003621900000000 ] - [ -0.0000488900000000, -0.0001977300000000, 0.0000311400000000 ] - [ 0.0000351200000000, 0.0001950200000000, -0.0000932500000000 ] - [ -0.0002242800000000, 0.0000260000000000, -0.0001623700000000 ] - [ 0.0001366500000000, -0.0000675700000000, 0.0002932100000000 ] - [ 0.0001618900000000, -0.0000685300000000, -0.0002486100000000 ] - [ -0.0001858100000000, 0.0001448600000000, 0.0002066800000000 ] - [ -0.0003078000000000, -0.0000681600000000, -0.0002120700000000 ] - [ 0.0004055200000000, 0.0002143100000000, 0.0003879900000000 ] - [ 0.0000432300000000, -0.0001530800000000, 0.0002038800000000 ] - [ 0.0000124100000000, 0.0000732900000000, -0.0002754300000000 ] - [ -0.0058705200000000, -0.0019022600000000, -0.0010529700000000 ] - [ 0.0029808800000000, 0.0002131300000000, -0.0019212700000000 ] - [ 0.0006363400000000, -0.0011515500000000, 0.0002485300000000 ] - [ -0.0002220700000000, 0.0008404600000000, -0.0001664400000000 ] - [ -0.0045219500000000, 0.0004384500000000, 0.0008252100000000 ] - [ 0.0016989500000000, 0.0005717200000000, 0.0008913500000000 ] - [ -0.0002983700000000, -0.0029614800000000, 0.0003854500000000 ] - [ 0.0007770800000000, 0.0016738700000000, -0.0000522000000000 ] - [ -0.0029865400000000, -0.0017968100000000, -0.0000370500000000 ] - [ 0.0031788200000000, 0.0000981200000000, -0.0001182800000000 ] - [ 0.0005363800000000, -0.0009912100000000, -0.0006493100000000 ] - [ -0.0013889000000000, 0.0014396200000000, 0.0016272700000000 ] - [ -0.0021885000000000, -0.0004587900000000, 0.0014909200000000 ] - [ 0.0012747100000000, -0.0002871400000000, -0.0007625600000000 ] - [ 0.0005516600000000, -0.0006808100000000, -0.0000442600000000 ] - [ -0.0002167300000000, 0.0004209200000000, -0.0001533200000000 ] - [ 0.0017854400000000, 0.0007482100000000, 0.0008130700000000 ] - [ -0.0013387000000000, -0.0010524900000000, -0.0008220700000000 ] - [ -0.0002262300000000, -0.0001252700000000, -0.0003478600000000 ] - [ -0.0002187200000000, -0.0002360800000000, 0.0000254100000000 ] - [ 0.0004305700000000, -0.0014951800000000, 0.0010451300000000 ] - [ -0.0000186300000000, 0.0011154700000000, -0.0008330800000000 ] - [ -0.0012120400000000, -0.0000273700000000, -0.0007444500000000 ] - [ 0.0003996600000000, 0.0000928400000000, 0.0000675000000000 ] - [ -0.0102346200000000, 0.0066502400000000, 0.0086458500000000 ] - [ -0.0102799200000000, -0.0178952900000000, -0.0112461700000000 ] - [ 0.0109067900000000, -0.0056681100000000, 0.0027474000000000 ] - [ -0.0034412500000000, 0.0011752500000000, 0.0000303000000000 ] - [ -0.0061119000000000, -0.0046571700000000, 0.0063669300000000 ] - [ -0.0052611000000000, 0.0115404700000000, -0.0086290500000000 ] - [ -0.0041031600000000, -0.0013014800000000, -0.0000029100000000 ] - [ 0.0082943100000000, 0.0027021400000000, 0.0022729600000000 ] - [ 0.0000988000000000, -0.0001373200000000, 0.0003258800000000 ] - [ -0.0000439700000000, 0.0002196800000000, -0.0003025300000000 ] - [ -0.0003561500000000, -0.0002703400000000, 0.0000039100000000 ] - [ 0.0003357300000000, 0.0001630100000000, -0.0000181700000000 ] - [ 0.0005156600000000, -0.0000938400000000, -0.0000321800000000 ] - [ -0.0005593700000000, 0.0000003100000000, -0.0001207100000000 ] - [ -0.0000307800000000, 0.0003647500000000, -0.0000762300000000 ] - [ 0.0000181300000000, -0.0002722000000000, 0.0001065200000000 ] - [ 0.0129674100000000, 0.0000062900000000, 0.0000430800000000 ] - [ -0.0041230900000000, -0.0000473100000000, 0.0003196600000000 ] - [ -0.0004847300000000, 0.0024781100000000, -0.0001249000000000 ] - [ -0.0001140800000000, -0.0019458100000000, -0.0002057700000000 ] - [ -0.0067009100000000, 0.0081934900000000, -0.0064612300000000 ] - [ -0.0058630000000000, -0.0023167100000000, 0.0054412000000000 ] - [ 0.0028481200000000, 0.0036901200000000, 0.0010033200000000 ] - [ -0.0006770400000000, -0.0009933400000000, -0.0000026300000000 ] - [ 0.0904941200000000, 0.0001569700000000, -0.0005502000000000 ] - [ -0.0043560800000000, 0.0001937100000000, -0.0001502400000000 ] - [ -0.0004461200000000, 0.0020594800000000, 0.0000218400000000 ] - [ -0.0007797600000000, -0.0022539800000000, 0.0000133400000000 ] - [ 0.0020488000000000, -0.0000003400000000, -0.0000039400000000 ] - [ -0.0017168700000000, 0.0000797600000000, -0.0000421800000000 ] - [ 0.0001008100000000, 0.0009688100000000, 0.0000213700000000 ] - [ -0.0000364900000000, -0.0010482300000000, 0.0000256800000000 ] - [ -0.0001314700000000, 0.0002835200000000, 0.0008521900000000 ] - [ 0.0001381000000000, -0.0003947700000000, -0.0009617400000000 ] - [ 0.0005887900000000, 0.0001789400000000, 0.0001029800000000 ] - [ -0.0005443600000000, -0.0000199600000000, -0.0000019700000000 ] - [ -0.0000217800000000, -0.0000369000000000, -0.0003723800000000 ] - [ 0.0000062600000000, 0.0000189900000000, 0.0003387000000000 ] - [ -0.0000555800000000, 0.0000182300000000, 0.0001539100000000 ] - [ 0.0000204900000000, -0.0000005200000000, 0.0000390600000000 ] - [ 0.0001402000000000, -0.0004409300000000, -0.0003690300000000 ] - [ -0.0001346500000000, 0.0002370500000000, 0.0002764900000000 ] - [ -0.0005445100000000, 0.0000193400000000, 0.0000139400000000 ] - [ 0.0005896900000000, 0.0001314500000000, 0.0001329100000000 ] - [ -0.0118285800000000, -0.0098898300000000, -0.0051662400000000 ] - [ -0.0112716300000000, 0.0099831400000000, 0.0063763200000000 ] - [ -0.0014465400000000, 0.0000046100000000, -0.0000143600000000 ] - [ 0.0056629700000000, -0.0002714300000000, -0.0013329300000000 ]- atom: 97 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0009417300000000, -0.0003178100000000, -0.0008463900000000 ] - [ -0.0007671300000000, -0.0017678600000000, -0.0019050400000000 ] - [ 0.0001766100000000, 0.0010243400000000, -0.0016332900000000 ] - [ -0.0012650900000000, 0.0011788600000000, -0.0007222100000000 ] - [ 0.0019145700000000, 0.0002195700000000, -0.0019050400000000 ] - [ -0.0009754100000000, -0.0003592200000000, -0.0016332900000000 ] - [ -0.0001956300000000, 0.0009744700000000, -0.0008463900000000 ] - [ -0.0003883800000000, -0.0016850300000000, -0.0007222100000000 ] - [ 0.0007988000000000, -0.0006651200000000, -0.0016332900000000 ] - [ -0.0007461000000000, -0.0006566500000000, -0.0008463900000000 ] - [ -0.0011474400000000, 0.0015482800000000, -0.0019050400000000 ] - [ 0.0016534600000000, 0.0005061700000000, -0.0007222100000000 ] - [ 0.0017688200000000, -0.0018418000000000, 0.0022492400000000 ] - [ -0.0002598300000000, -0.0025107200000000, 0.0029542800000000 ] - [ -0.0077475600000000, -0.0097302800000000, 0.0065777000000000 ] - [ -0.0011650100000000, 0.0004440000000000, 0.0016080500000000 ] - [ -0.0045529000000000, 0.0115747200000000, 0.0065777000000000 ] - [ -0.0024794500000000, -0.0006109400000000, 0.0022492400000000 ] - [ -0.0020444300000000, 0.0014803700000000, 0.0029542800000000 ] - [ 0.0009670200000000, 0.0007869300000000, 0.0016080500000000 ] - [ 0.0023042600000000, 0.0010303400000000, 0.0029542800000000 ] - [ 0.0123004500000000, -0.0018444400000000, 0.0065777000000000 ] - [ 0.0007106400000000, 0.0024527400000000, 0.0022492400000000 ] - [ 0.0001979900000000, -0.0012309300000000, 0.0016080500000000 ] - [ 0.0000637200000000, 0.0005405300000000, -0.0018381800000000 ] - [ -0.0000005800000000, 0.0003511500000000, -0.0013481800000000 ] - [ 0.0000007700000000, 0.0006737700000000, -0.0016055200000000 ] - [ 0.0000149300000000, 0.0004812900000000, -0.0014695800000000 ] - [ -0.0004999700000000, -0.0002150800000000, -0.0018381800000000 ] - [ -0.0004242800000000, -0.0002277100000000, -0.0014695800000000 ] - [ -0.0003038100000000, -0.0001760800000000, -0.0013481800000000 ] - [ -0.0005838800000000, -0.0003362200000000, -0.0016055200000000 ] - [ 0.0004362500000000, -0.0003254500000000, -0.0018381800000000 ] - [ 0.0005831100000000, -0.0003375500000000, -0.0016055200000000 ] - [ 0.0004093400000000, -0.0002535800000000, -0.0014695800000000 ] - [ 0.0003043900000000, -0.0001750700000000, -0.0013481800000000 ] - [ -0.0000909200000000, 0.0005662500000000, -0.0018191600000000 ] - [ 0.0001150500000000, 0.0004543500000000, -0.0014856800000000 ] - [ -0.0000108800000000, 0.0003917200000000, -0.0014127600000000 ] - [ -0.0000286600000000, 0.0004558400000000, -0.0014051900000000 ] - [ 0.0005358500000000, -0.0002043900000000, -0.0018191600000000 ] - [ 0.0003446800000000, -0.0001864400000000, -0.0014127600000000 ] - [ 0.0004091000000000, -0.0002031000000000, -0.0014051900000000 ] - [ 0.0003359600000000, -0.0003268100000000, -0.0014856800000000 ] - [ -0.0004449300000000, -0.0003618700000000, -0.0018191600000000 ] - [ -0.0003804400000000, -0.0002527400000000, -0.0014051900000000 ] - [ -0.0004510100000000, -0.0001275400000000, -0.0014856800000000 ] - [ -0.0003338000000000, -0.0002052800000000, -0.0014127600000000 ] - [ 0.0021964200000000, 0.0020773700000000, 0.0063269300000000 ] - [ 0.0025030300000000, -0.0017096500000000, 0.0021797500000000 ] - [ 0.0014208700000000, -0.0024805500000000, 0.0022121900000000 ] - [ -0.0000320500000000, 0.0005095400000000, 0.0012180900000000 ] - [ -0.0028972700000000, 0.0008634700000000, 0.0063269300000000 ] - [ -0.0004252500000000, -0.0002825300000000, 0.0012180900000000 ] - [ 0.0002290900000000, 0.0030225100000000, 0.0021797500000000 ] - [ 0.0014377900000000, 0.0024707900000000, 0.0022121900000000 ] - [ 0.0007008500000000, -0.0029408400000000, 0.0063269300000000 ] - [ -0.0028586600000000, 0.0000097700000000, 0.0022121900000000 ] - [ 0.0004573000000000, -0.0002270200000000, 0.0012180900000000 ] - [ -0.0027321100000000, -0.0013128600000000, 0.0021797500000000 ] - [ -0.0017971900000000, 0.0027518900000000, -0.0032155200000000 ] - [ 0.0014494100000000, -0.0002827700000000, -0.0014020300000000 ] - [ 0.0010271000000000, -0.0009522600000000, -0.0010366500000000 ] - [ -0.0006760400000000, 0.0002735800000000, -0.0004617500000000 ] - [ -0.0013382300000000, -0.0004133600000000, -0.0010366500000000 ] - [ 0.0032818100000000, 0.0001804700000000, -0.0032155200000000 ] - [ -0.0009695900000000, -0.0011138400000000, -0.0014020300000000 ] - [ 0.0005749500000000, 0.0004486700000000, -0.0004617500000000 ] - [ -0.0004798200000000, 0.0013966100000000, -0.0014020300000000 ] - [ 0.0003111300000000, 0.0013656200000000, -0.0010366500000000 ] - [ -0.0014846100000000, -0.0029323600000000, -0.0032155200000000 ] - [ 0.0001010900000000, -0.0007222500000000, -0.0004617500000000 ] - [ -0.0117227100000000, 0.0024084500000000, 0.0024920500000000 ] - [ 0.0079471300000000, 0.0089479400000000, 0.0024920500000000 ] - [ 0.0037755800000000, -0.0113563900000000, 0.0024920500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012042000000000 ] - [ -0.0077493100000000, -0.0029474100000000, 0.0030554900000000 ] - [ 0.0064271900000000, -0.0052373900000000, 0.0030554900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004303600000000 ] - [ 0.0013221200000000, 0.0081848000000000, 0.0030554900000000 ] - [ -0.0000179000000000, -0.0000239500000000, 0.0026049700000000 ] - [ 0.0000296900000000, -0.0000035300000000, 0.0026049700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0023954800000000 ] - [ -0.0000117900000000, 0.0000274800000000, 0.0026049700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0030426800000000 ] - [ -0.0001858900000000, 0.0000941100000000, 0.0023517400000000 ] - [ 0.0000114400000000, -0.0002080400000000, 0.0023517400000000 ] - [ 0.0001744500000000, 0.0001139300000000, 0.0023517400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0266887800000000 ] - [ 0.0000844500000000, 0.0014026900000000, -0.0002454100000000 ] - [ -0.0012569900000000, -0.0006282100000000, -0.0002454100000000 ] - [ 0.0011725400000000, -0.0007744800000000, -0.0002454100000000 ] - [ 0.0084512200000000, -0.0090530000000000, 0.0038169100000000 ] - [ -0.0120657400000000, -0.0027924700000000, 0.0038169100000000 ] - [ 0.0036145200000000, 0.0118454700000000, 0.0038169100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008051400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0749156200000000 ] - [ 0.0001104300000000, 0.0000058900000000, -0.0041899300000000 ] - [ -0.0000603100000000, 0.0000926900000000, -0.0041899300000000 ] - [ -0.0000501200000000, -0.0000985800000000, -0.0041899300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0052847300000000 ] - [ 0.0000442000000000, -0.0000059600000000, 0.0017199900000000 ] - [ -0.0000169400000000, 0.0000412600000000, 0.0017199900000000 ] - [ -0.0000272700000000, -0.0000353000000000, 0.0017199900000000 ] - [ -0.0002614100000000, 0.0002899100000000, 0.0022099200000000 ] - [ 0.0003817700000000, 0.0000814300000000, 0.0022099200000000 ] - [ -0.0001203700000000, -0.0003713400000000, 0.0022099200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017809800000000 ] - [ 0.0004092900000000, -0.0001063700000000, 0.0023350500000000 ] - [ -0.0002967600000000, -0.0003012700000000, 0.0023350500000000 ] - [ -0.0001125300000000, 0.0004076400000000, 0.0023350500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015395300000000 ] - [ 0.0009579500000000, 0.0004305600000000, 0.0022240300000000 ] - [ -0.0008518600000000, 0.0006143300000000, 0.0022240300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017991300000000 ] - [ -0.0001061000000000, -0.0010448900000000, 0.0022240300000000 ] - [ 0.0051183600000000, 0.0044830500000000, -0.0071078800000000 ] - [ -0.0064416100000000, 0.0021911100000000, -0.0071078800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0041340200000000 ] - [ 0.0013232500000000, -0.0066741500000000, -0.0071078800000000 ]- atom: 97 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0009383100000000, 0.0003734300000000, 0.0008250600000000 ] - [ 0.0007640700000000, 0.0018072600000000, 0.0018845400000000 ] - [ -0.0001751400000000, -0.0009640800000000, 0.0016221700000000 ] - [ 0.0012691200000000, -0.0011154400000000, 0.0006952900000000 ] - [ -0.0019471700000000, -0.0002419300000000, 0.0018845400000000 ] - [ 0.0009224900000000, 0.0003303700000000, 0.0016221700000000 ] - [ 0.0001457600000000, -0.0009993100000000, 0.0008250600000000 ] - [ 0.0003314300000000, 0.0016568100000000, 0.0006952900000000 ] - [ -0.0007473500000000, 0.0006337200000000, 0.0016221700000000 ] - [ 0.0007925500000000, 0.0006258800000000, 0.0008250600000000 ] - [ 0.0011831000000000, -0.0015653300000000, 0.0018845400000000 ] - [ -0.0016005600000000, -0.0005413800000000, 0.0006952900000000 ] - [ -0.0018108400000000, 0.0018115300000000, -0.0022036100000000 ] - [ 0.0002168500000000, 0.0024953600000000, -0.0029035100000000 ] - [ 0.0075122200000000, 0.0093803100000000, -0.0065225300000000 ] - [ 0.0011298700000000, -0.0004814600000000, -0.0015531300000000 ] - [ 0.0043674800000000, -0.0111959300000000, -0.0065225300000000 ] - [ 0.0024742500000000, 0.0006624700000000, -0.0022036100000000 ] - [ 0.0020526200000000, -0.0014354700000000, -0.0029035100000000 ] - [ -0.0009818900000000, -0.0007377700000000, -0.0015531300000000 ] - [ -0.0022694700000000, -0.0010598800000000, -0.0029035100000000 ] - [ -0.0118797000000000, 0.0018156200000000, -0.0065225300000000 ] - [ -0.0006634100000000, -0.0024739900000000, -0.0022036100000000 ] - [ -0.0001479800000000, 0.0012192200000000, -0.0015531300000000 ] - [ -0.0000227800000000, -0.0005099800000000, 0.0017876900000000 ] - [ 0.0000429100000000, -0.0003194400000000, 0.0012950500000000 ] - [ 0.0000401000000000, -0.0006439400000000, 0.0015528100000000 ] - [ 0.0000222500000000, -0.0004476200000000, 0.0014184600000000 ] - [ 0.0004530500000000, 0.0002352600000000, 0.0017876900000000 ] - [ 0.0003765300000000, 0.0002430800000000, 0.0014184600000000 ] - [ 0.0002551900000000, 0.0001968900000000, 0.0012950500000000 ] - [ 0.0005376200000000, 0.0003566900000000, 0.0015528100000000 ] - [ -0.0004302700000000, 0.0002747200000000, 0.0017876900000000 ] - [ -0.0005777100000000, 0.0002872400000000, 0.0015528100000000 ] - [ -0.0003987700000000, 0.0002045400000000, 0.0014184600000000 ] - [ -0.0002981000000000, 0.0001225600000000, 0.0012950500000000 ] - [ 0.0000857700000000, -0.0006325300000000, 0.0018454300000000 ] - [ -0.0001161500000000, -0.0005182500000000, 0.0015130200000000 ] - [ 0.0000084500000000, -0.0004594300000000, 0.0014425300000000 ] - [ 0.0000249200000000, -0.0005156800000000, 0.0014370500000000 ] - [ -0.0005906700000000, 0.0002419900000000, 0.0018454300000000 ] - [ -0.0004021000000000, 0.0002224000000000, 0.0014425300000000 ] - [ -0.0004590500000000, 0.0002362500000000, 0.0014370500000000 ] - [ -0.0003907400000000, 0.0003597200000000, 0.0015130200000000 ] - [ 0.0005049100000000, 0.0003905400000000, 0.0018454300000000 ] - [ 0.0004341300000000, 0.0002794200000000, 0.0014370500000000 ] - [ 0.0005068900000000, 0.0001585300000000, 0.0015130200000000 ] - [ 0.0003936600000000, 0.0002370300000000, 0.0014425300000000 ] - [ -0.0027246200000000, -0.0019640500000000, -0.0068212400000000 ] - [ -0.0024996400000000, 0.0017484700000000, -0.0021372200000000 ] - [ -0.0014134700000000, 0.0025250800000000, -0.0021697900000000 ] - [ 0.0000436900000000, -0.0004781900000000, -0.0011744100000000 ] - [ 0.0030632300000000, -0.0013775600000000, -0.0068212400000000 ] - [ 0.0003922800000000, 0.0002769300000000, -0.0011744100000000 ] - [ -0.0002644000000000, -0.0030389800000000, -0.0021372200000000 ] - [ -0.0014800500000000, -0.0024866500000000, -0.0021697900000000 ] - [ -0.0003386100000000, 0.0033416100000000, -0.0068212400000000 ] - [ 0.0028935200000000, -0.0000384400000000, -0.0021697900000000 ] - [ -0.0004359700000000, 0.0002012500000000, -0.0011744100000000 ] - [ 0.0027640400000000, 0.0012905100000000, -0.0021372200000000 ] - [ 0.0017925500000000, -0.0027838000000000, 0.0031743900000000 ] - [ -0.0014696300000000, 0.0002554600000000, 0.0013551200000000 ] - [ -0.0010428900000000, 0.0009221100000000, 0.0009905400000000 ] - [ 0.0006632400000000, -0.0003034300000000, 0.0004179900000000 ] - [ 0.0013200100000000, 0.0004421100000000, 0.0009905400000000 ] - [ -0.0033071200000000, -0.0001604900000000, 0.0031743900000000 ] - [ 0.0009560500000000, 0.0011450100000000, 0.0013551200000000 ] - [ -0.0005944000000000, -0.0004226700000000, 0.0004179900000000 ] - [ 0.0005135800000000, -0.0014004700000000, 0.0013551200000000 ] - [ -0.0002771300000000, -0.0013642200000000, 0.0009905400000000 ] - [ 0.0015145700000000, 0.0029443000000000, 0.0031743900000000 ] - [ -0.0000688400000000, 0.0007261000000000, 0.0004179900000000 ] - [ 0.0117381500000000, -0.0023778500000000, -0.0024801500000000 ] - [ -0.0079283600000000, -0.0089766100000000, -0.0024801500000000 ] - [ -0.0038097900000000, 0.0113544600000000, -0.0024801500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012533100000000 ] - [ 0.0077326100000000, 0.0029074300000000, -0.0030776900000000 ] - [ -0.0063842100000000, 0.0052429200000000, -0.0030776900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004132700000000 ] - [ -0.0013484000000000, -0.0081503500000000, -0.0030776900000000 ] - [ 0.0000164300000000, 0.0000214900000000, -0.0026116800000000 ] - [ -0.0000268300000000, 0.0000034800000000, -0.0026116800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0023892200000000 ] - [ 0.0000104000000000, -0.0000249700000000, -0.0026116800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0031043600000000 ] - [ 0.0001850100000000, -0.0000987700000000, -0.0024083100000000 ] - [ -0.0000069700000000, 0.0002096100000000, -0.0024083100000000 ] - [ -0.0001780400000000, -0.0001108400000000, -0.0024083100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0270802600000000 ] - [ -0.0000819100000000, -0.0014064400000000, 0.0002351900000000 ] - [ 0.0012589700000000, 0.0006322800000000, 0.0002351900000000 ] - [ -0.0011770600000000, 0.0007741600000000, 0.0002351900000000 ] - [ -0.0084754500000000, 0.0090656400000000, -0.0038111600000000 ] - [ 0.0120888000000000, 0.0028071400000000, -0.0038111600000000 ] - [ -0.0036133400000000, -0.0118727700000000, -0.0038111600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008102600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0768456900000000 ] - [ -0.0001110600000000, -0.0000070500000000, 0.0041158200000000 ] - [ 0.0000616300000000, -0.0000926600000000, 0.0041158200000000 ] - [ 0.0000494300000000, 0.0000997000000000, 0.0041158200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0052453500000000 ] - [ -0.0000453500000000, 0.0000008600000000, -0.0017188500000000 ] - [ 0.0000219300000000, -0.0000397100000000, -0.0017188500000000 ] - [ 0.0000234200000000, 0.0000388500000000, -0.0017188500000000 ] - [ 0.0002635000000000, -0.0002878700000000, -0.0022183600000000 ] - [ -0.0003810500000000, -0.0000842600000000, -0.0022183600000000 ] - [ 0.0001175500000000, 0.0003721300000000, -0.0022183600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0017894800000000 ] - [ -0.0004100600000000, 0.0001073700000000, -0.0022589300000000 ] - [ 0.0002980100000000, 0.0003014300000000, -0.0022589300000000 ] - [ 0.0001120400000000, -0.0004088000000000, -0.0022589300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014674400000000 ] - [ -0.0009607800000000, -0.0004329900000000, -0.0022062900000000 ] - [ 0.0008553700000000, -0.0006155600000000, -0.0022062900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0017719800000000 ] - [ 0.0001054100000000, 0.0010485600000000, -0.0022062900000000 ] - [ -0.0051146600000000, -0.0044885900000000, 0.0071400100000000 ] - [ 0.0064445600000000, -0.0021851300000000, 0.0071400100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0041117300000000 ] - [ -0.0013299100000000, 0.0066737200000000, 0.0071400100000000 ]