# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/b21b2996-ce0d-4ba6-8a6c-f7dda8481638/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 YNbO4 / C2/c (15) / materials id 5387](https://mdr.nims.go.jp/datasets/ff4995bf-a0d3-4389-ac4b-361a2e06990d) ## 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: "C2/c" number: 15 Hall_symbol: "-C 2yc"primitive_matrix:- [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ]- [ -0.500000000000000, 0.500000000000000, 0.000000000000000 ]- [ 0.000000000000000, 0.000000000000000, 1.000000000000000 ]supercell_matrix:- [ 2, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 3 ]primitive_cell: lattice: - [ 3.513300070000000, -5.465667075000000, 0.007039360000000 ] # a - [ 3.513300070000000, 5.465667075000000, 0.007039360000000 ] # b - [ -3.369213040000000, 0.000000000000000, 3.805545630000000 ] # c points: - symbol: O # 1 coordinates: [ 0.721538530000000, 0.783202290000000, 0.789076730000000 ] mass: 15.999400 - symbol: O # 2 coordinates: [ 0.216797710000000, 0.278461470000000, 0.710923270000000 ] mass: 15.999400 - symbol: O # 3 coordinates: [ 0.278461470000000, 0.216797710000000, 0.210923270000000 ] mass: 15.999400 - symbol: O # 4 coordinates: [ 0.783202290000000, 0.721538530000000, 0.289076730000000 ] mass: 15.999400 - symbol: O # 5 coordinates: [ 0.627103710000000, 0.051173590000000, 0.339240570000000 ] mass: 15.999400 - symbol: O # 6 coordinates: [ 0.948826410000000, 0.372896290000000, 0.160759430000000 ] mass: 15.999400 - symbol: O # 7 coordinates: [ 0.372896290000000, 0.948826410000000, 0.660759430000000 ] mass: 15.999400 - symbol: O # 8 coordinates: [ 0.051173590000000, 0.627103710000000, 0.839240570000000 ] mass: 15.999400 - symbol: Y # 9 coordinates: [ 0.629224230000000, 0.370775770000000, 0.750000000000000 ] mass: 88.905850 - symbol: Y # 10 coordinates: [ 0.370775770000000, 0.629224230000000, 0.250000000000000 ] mass: 88.905850 - symbol: Nb # 11 coordinates: [ 0.105550300000000, 0.894449700000000, 0.750000000000000 ] mass: 92.906380 - symbol: Nb # 12 coordinates: [ 0.894449700000000, 0.105550300000000, 0.250000000000000 ] mass: 92.906380 reciprocal_lattice: # without 2pi - [ 0.142064329816377, -0.091480141973338, 0.125775654550803 ] # a* - [ 0.142064329816377, 0.091480141973338, 0.125775654550803 ] # b* - [ -0.000525570868394, 0.000000000000000, 0.262309097520074 ] # c*unit_cell: lattice: - [ 7.026600140000000, 0.000000000000000, 0.014078720000000 ] # a - [ 0.000000000000000, 10.931334150000000, 0.000000000000000 ] # b - [ -3.369213040000000, 0.000000000000000, 3.805545630000000 ] # c points: - symbol: O # 1 coordinates: [ 0.252370410000000, 0.530831880000000, 0.789076730000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 2 coordinates: [ 0.747629590000000, 0.530831880000000, 0.710923270000000 ] mass: 15.999400 reduced_to: 2 - symbol: O # 3 coordinates: [ 0.747629590000000, 0.469168120000000, 0.210923270000000 ] mass: 15.999400 reduced_to: 3 - symbol: O # 4 coordinates: [ 0.252370410000000, 0.469168120000000, 0.289076730000000 ] mass: 15.999400 reduced_to: 4 - symbol: O # 5 coordinates: [ 0.339138650000000, 0.712034940000000, 0.339240570000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 6 coordinates: [ 0.660861350000000, 0.712034940000000, 0.160759430000000 ] mass: 15.999400 reduced_to: 6 - symbol: O # 7 coordinates: [ 0.660861350000000, 0.287965060000000, 0.660759430000000 ] mass: 15.999400 reduced_to: 7 - symbol: O # 8 coordinates: [ 0.339138650000000, 0.287965060000000, 0.839240570000000 ] mass: 15.999400 reduced_to: 8 - symbol: O # 9 coordinates: [ 0.752370410000000, 0.030831880000000, 0.789076730000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 10 coordinates: [ 0.247629590000000, 0.030831880000000, 0.710923270000000 ] mass: 15.999400 reduced_to: 2 - symbol: O # 11 coordinates: [ 0.247629590000000, 0.969168120000000, 0.210923270000000 ] mass: 15.999400 reduced_to: 3 - symbol: O # 12 coordinates: [ 0.752370410000000, 0.969168120000000, 0.289076730000000 ] mass: 15.999400 reduced_to: 4 - symbol: O # 13 coordinates: [ 0.839138650000000, 0.212034940000000, 0.339240570000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 14 coordinates: [ 0.160861350000000, 0.212034940000000, 0.160759430000000 ] mass: 15.999400 reduced_to: 6 - symbol: O # 15 coordinates: [ 0.160861350000000, 0.787965060000000, 0.660759430000000 ] mass: 15.999400 reduced_to: 7 - symbol: O # 16 coordinates: [ 0.839138650000000, 0.787965060000000, 0.839240570000000 ] mass: 15.999400 reduced_to: 8 - symbol: Y # 17 coordinates: [ 0.000000000000000, 0.370775770000000, 0.750000000000000 ] mass: 88.905850 reduced_to: 17 - symbol: Y # 18 coordinates: [ 0.000000000000000, 0.629224230000000, 0.250000000000000 ] mass: 88.905850 reduced_to: 18 - symbol: Y # 19 coordinates: [ 0.500000000000000, 0.870775770000000, 0.750000000000000 ] mass: 88.905850 reduced_to: 17 - symbol: Y # 20 coordinates: [ 0.500000000000000, 0.129224230000000, 0.250000000000000 ] mass: 88.905850 reduced_to: 18 - symbol: Nb # 21 coordinates: [ 0.500000000000000, 0.394449700000000, 0.750000000000000 ] mass: 92.906380 reduced_to: 21 - symbol: Nb # 22 coordinates: [ 0.500000000000000, 0.605550300000000, 0.250000000000000 ] mass: 92.906380 reduced_to: 22 - symbol: Nb # 23 coordinates: [ 0.000000000000000, 0.894449700000000, 0.750000000000000 ] mass: 92.906380 reduced_to: 21 - symbol: Nb # 24 coordinates: [ 0.000000000000000, 0.105550300000000, 0.250000000000000 ] mass: 92.906380 reduced_to: 22supercell: lattice: - [ 14.053200280000000, 0.000000000000000, 0.028157440000000 ] # a - [ 0.000000000000000, 10.931334150000000, 0.000000000000000 ] # b - [ -10.107639120000000, 0.000000000000000, 11.416636889999999 ] # c points: - symbol: O # 1 coordinates: [ 0.126185205000000, 0.530831880000000, 0.263025576666667 ] mass: 15.999400 reduced_to: 1 - symbol: O # 2 coordinates: [ 0.626185205000000, 0.530831880000000, 0.263025576666667 ] mass: 15.999400 reduced_to: 1 - symbol: O # 3 coordinates: [ 0.126185205000000, 0.530831880000000, 0.596358910000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 4 coordinates: [ 0.626185205000000, 0.530831880000000, 0.596358910000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 5 coordinates: [ 0.126185205000000, 0.530831880000000, 0.929692243333333 ] mass: 15.999400 reduced_to: 1 - symbol: O # 6 coordinates: [ 0.626185205000000, 0.530831880000000, 0.929692243333333 ] mass: 15.999400 reduced_to: 1 - symbol: O # 7 coordinates: [ 0.373814795000000, 0.530831880000000, 0.236974423333333 ] mass: 15.999400 reduced_to: 7 - symbol: O # 8 coordinates: [ 0.873814795000000, 0.530831880000000, 0.236974423333333 ] mass: 15.999400 reduced_to: 7 - symbol: O # 9 coordinates: [ 0.373814795000000, 0.530831880000000, 0.570307756666667 ] mass: 15.999400 reduced_to: 7 - symbol: O # 10 coordinates: [ 0.873814795000000, 0.530831880000000, 0.570307756666667 ] mass: 15.999400 reduced_to: 7 - symbol: O # 11 coordinates: [ 0.373814795000000, 0.530831880000000, 0.903641090000000 ] mass: 15.999400 reduced_to: 7 - symbol: O # 12 coordinates: [ 0.873814795000000, 0.530831880000000, 0.903641090000000 ] mass: 15.999400 reduced_to: 7 - symbol: O # 13 coordinates: [ 0.373814795000000, 0.469168120000000, 0.070307756666667 ] mass: 15.999400 reduced_to: 13 - symbol: O # 14 coordinates: [ 0.873814795000000, 0.469168120000000, 0.070307756666667 ] mass: 15.999400 reduced_to: 13 - symbol: O # 15 coordinates: [ 0.373814795000000, 0.469168120000000, 0.403641090000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 16 coordinates: [ 0.873814795000000, 0.469168120000000, 0.403641090000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 17 coordinates: [ 0.373814795000000, 0.469168120000000, 0.736974423333333 ] mass: 15.999400 reduced_to: 13 - symbol: O # 18 coordinates: [ 0.873814795000000, 0.469168120000000, 0.736974423333333 ] mass: 15.999400 reduced_to: 13 - symbol: O # 19 coordinates: [ 0.126185205000000, 0.469168120000000, 0.096358910000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 20 coordinates: [ 0.626185205000000, 0.469168120000000, 0.096358910000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 21 coordinates: [ 0.126185205000000, 0.469168120000000, 0.429692243333333 ] mass: 15.999400 reduced_to: 19 - symbol: O # 22 coordinates: [ 0.626185205000000, 0.469168120000000, 0.429692243333333 ] mass: 15.999400 reduced_to: 19 - symbol: O # 23 coordinates: [ 0.126185205000000, 0.469168120000000, 0.763025576666667 ] mass: 15.999400 reduced_to: 19 - symbol: O # 24 coordinates: [ 0.626185205000000, 0.469168120000000, 0.763025576666667 ] mass: 15.999400 reduced_to: 19 - symbol: O # 25 coordinates: [ 0.169569325000000, 0.712034940000000, 0.113080190000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 26 coordinates: [ 0.669569325000000, 0.712034940000000, 0.113080190000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 27 coordinates: [ 0.169569325000000, 0.712034940000000, 0.446413523333333 ] mass: 15.999400 reduced_to: 25 - symbol: O # 28 coordinates: [ 0.669569325000000, 0.712034940000000, 0.446413523333333 ] mass: 15.999400 reduced_to: 25 - symbol: O # 29 coordinates: [ 0.169569325000000, 0.712034940000000, 0.779746856666667 ] mass: 15.999400 reduced_to: 25 - symbol: O # 30 coordinates: [ 0.669569325000000, 0.712034940000000, 0.779746856666667 ] mass: 15.999400 reduced_to: 25 - symbol: O # 31 coordinates: [ 0.330430675000000, 0.712034940000000, 0.053586476666667 ] mass: 15.999400 reduced_to: 31 - symbol: O # 32 coordinates: [ 0.830430675000000, 0.712034940000000, 0.053586476666667 ] mass: 15.999400 reduced_to: 31 - symbol: O # 33 coordinates: [ 0.330430675000000, 0.712034940000000, 0.386919810000000 ] mass: 15.999400 reduced_to: 31 - symbol: O # 34 coordinates: [ 0.830430675000000, 0.712034940000000, 0.386919810000000 ] mass: 15.999400 reduced_to: 31 - symbol: O # 35 coordinates: [ 0.330430675000000, 0.712034940000000, 0.720253143333333 ] mass: 15.999400 reduced_to: 31 - symbol: O # 36 coordinates: [ 0.830430675000000, 0.712034940000000, 0.720253143333333 ] mass: 15.999400 reduced_to: 31 - symbol: O # 37 coordinates: [ 0.330430675000000, 0.287965060000000, 0.220253143333333 ] mass: 15.999400 reduced_to: 37 - symbol: O # 38 coordinates: [ 0.830430675000000, 0.287965060000000, 0.220253143333333 ] mass: 15.999400 reduced_to: 37 - symbol: O # 39 coordinates: [ 0.330430675000000, 0.287965060000000, 0.553586476666667 ] mass: 15.999400 reduced_to: 37 - symbol: O # 40 coordinates: [ 0.830430675000000, 0.287965060000000, 0.553586476666667 ] mass: 15.999400 reduced_to: 37 - symbol: O # 41 coordinates: [ 0.330430675000000, 0.287965060000000, 0.886919810000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 42 coordinates: [ 0.830430675000000, 0.287965060000000, 0.886919810000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 43 coordinates: [ 0.169569325000000, 0.287965060000000, 0.279746856666667 ] mass: 15.999400 reduced_to: 43 - symbol: O # 44 coordinates: [ 0.669569325000000, 0.287965060000000, 0.279746856666667 ] mass: 15.999400 reduced_to: 43 - symbol: O # 45 coordinates: [ 0.169569325000000, 0.287965060000000, 0.613080190000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 46 coordinates: [ 0.669569325000000, 0.287965060000000, 0.613080190000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 47 coordinates: [ 0.169569325000000, 0.287965060000000, 0.946413523333333 ] mass: 15.999400 reduced_to: 43 - symbol: O # 48 coordinates: [ 0.669569325000000, 0.287965060000000, 0.946413523333333 ] mass: 15.999400 reduced_to: 43 - symbol: O # 49 coordinates: [ 0.376185205000000, 0.030831880000000, 0.263025576666667 ] mass: 15.999400 reduced_to: 1 - symbol: O # 50 coordinates: [ 0.876185205000000, 0.030831880000000, 0.263025576666667 ] mass: 15.999400 reduced_to: 1 - symbol: O # 51 coordinates: [ 0.376185205000000, 0.030831880000000, 0.596358910000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 52 coordinates: [ 0.876185205000000, 0.030831880000000, 0.596358910000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 53 coordinates: [ 0.376185205000000, 0.030831880000000, 0.929692243333333 ] mass: 15.999400 reduced_to: 1 - symbol: O # 54 coordinates: [ 0.876185205000000, 0.030831880000000, 0.929692243333333 ] mass: 15.999400 reduced_to: 1 - symbol: O # 55 coordinates: [ 0.123814795000000, 0.030831880000000, 0.236974423333333 ] mass: 15.999400 reduced_to: 7 - symbol: O # 56 coordinates: [ 0.623814795000000, 0.030831880000000, 0.236974423333333 ] mass: 15.999400 reduced_to: 7 - symbol: O # 57 coordinates: [ 0.123814795000000, 0.030831880000000, 0.570307756666667 ] mass: 15.999400 reduced_to: 7 - symbol: O # 58 coordinates: [ 0.623814795000000, 0.030831880000000, 0.570307756666667 ] mass: 15.999400 reduced_to: 7 - symbol: O # 59 coordinates: [ 0.123814795000000, 0.030831880000000, 0.903641090000000 ] mass: 15.999400 reduced_to: 7 - symbol: O # 60 coordinates: [ 0.623814795000000, 0.030831880000000, 0.903641090000000 ] mass: 15.999400 reduced_to: 7 - symbol: O # 61 coordinates: [ 0.123814795000000, 0.969168120000000, 0.070307756666667 ] mass: 15.999400 reduced_to: 13 - symbol: O # 62 coordinates: [ 0.623814795000000, 0.969168120000000, 0.070307756666667 ] mass: 15.999400 reduced_to: 13 - symbol: O # 63 coordinates: [ 0.123814795000000, 0.969168120000000, 0.403641090000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 64 coordinates: [ 0.623814795000000, 0.969168120000000, 0.403641090000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 65 coordinates: [ 0.123814795000000, 0.969168120000000, 0.736974423333333 ] mass: 15.999400 reduced_to: 13 - symbol: O # 66 coordinates: [ 0.623814795000000, 0.969168120000000, 0.736974423333333 ] mass: 15.999400 reduced_to: 13 - symbol: O # 67 coordinates: [ 0.376185205000000, 0.969168120000000, 0.096358910000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 68 coordinates: [ 0.876185205000000, 0.969168120000000, 0.096358910000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 69 coordinates: [ 0.376185205000000, 0.969168120000000, 0.429692243333333 ] mass: 15.999400 reduced_to: 19 - symbol: O # 70 coordinates: [ 0.876185205000000, 0.969168120000000, 0.429692243333333 ] mass: 15.999400 reduced_to: 19 - symbol: O # 71 coordinates: [ 0.376185205000000, 0.969168120000000, 0.763025576666667 ] mass: 15.999400 reduced_to: 19 - symbol: O # 72 coordinates: [ 0.876185205000000, 0.969168120000000, 0.763025576666667 ] mass: 15.999400 reduced_to: 19 - symbol: O # 73 coordinates: [ 0.419569325000000, 0.212034940000000, 0.113080190000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 74 coordinates: [ 0.919569325000000, 0.212034940000000, 0.113080190000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 75 coordinates: [ 0.419569325000000, 0.212034940000000, 0.446413523333333 ] mass: 15.999400 reduced_to: 25 - symbol: O # 76 coordinates: [ 0.919569325000000, 0.212034940000000, 0.446413523333333 ] mass: 15.999400 reduced_to: 25 - symbol: O # 77 coordinates: [ 0.419569325000000, 0.212034940000000, 0.779746856666667 ] mass: 15.999400 reduced_to: 25 - symbol: O # 78 coordinates: [ 0.919569325000000, 0.212034940000000, 0.779746856666667 ] mass: 15.999400 reduced_to: 25 - symbol: O # 79 coordinates: [ 0.080430675000000, 0.212034940000000, 0.053586476666667 ] mass: 15.999400 reduced_to: 31 - symbol: O # 80 coordinates: [ 0.580430675000000, 0.212034940000000, 0.053586476666667 ] mass: 15.999400 reduced_to: 31 - symbol: O # 81 coordinates: [ 0.080430675000000, 0.212034940000000, 0.386919810000000 ] mass: 15.999400 reduced_to: 31 - symbol: O # 82 coordinates: [ 0.580430675000000, 0.212034940000000, 0.386919810000000 ] mass: 15.999400 reduced_to: 31 - symbol: O # 83 coordinates: [ 0.080430675000000, 0.212034940000000, 0.720253143333333 ] mass: 15.999400 reduced_to: 31 - symbol: O # 84 coordinates: [ 0.580430675000000, 0.212034940000000, 0.720253143333333 ] mass: 15.999400 reduced_to: 31 - symbol: O # 85 coordinates: [ 0.080430675000000, 0.787965060000000, 0.220253143333333 ] mass: 15.999400 reduced_to: 37 - symbol: O # 86 coordinates: [ 0.580430675000000, 0.787965060000000, 0.220253143333333 ] mass: 15.999400 reduced_to: 37 - symbol: O # 87 coordinates: [ 0.080430675000000, 0.787965060000000, 0.553586476666667 ] mass: 15.999400 reduced_to: 37 - symbol: O # 88 coordinates: [ 0.580430675000000, 0.787965060000000, 0.553586476666667 ] mass: 15.999400 reduced_to: 37 - symbol: O # 89 coordinates: [ 0.080430675000000, 0.787965060000000, 0.886919810000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 90 coordinates: [ 0.580430675000000, 0.787965060000000, 0.886919810000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 91 coordinates: [ 0.419569325000000, 0.787965060000000, 0.279746856666667 ] mass: 15.999400 reduced_to: 43 - symbol: O # 92 coordinates: [ 0.919569325000000, 0.787965060000000, 0.279746856666667 ] mass: 15.999400 reduced_to: 43 - symbol: O # 93 coordinates: [ 0.419569325000000, 0.787965060000000, 0.613080190000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 94 coordinates: [ 0.919569325000000, 0.787965060000000, 0.613080190000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 95 coordinates: [ 0.419569325000000, 0.787965060000000, 0.946413523333333 ] mass: 15.999400 reduced_to: 43 - symbol: O # 96 coordinates: [ 0.919569325000000, 0.787965060000000, 0.946413523333333 ] mass: 15.999400 reduced_to: 43 - symbol: Y # 97 coordinates: [ 0.000000000000000, 0.370775770000000, 0.250000000000000 ] mass: 88.905850 reduced_to: 97 - symbol: Y # 98 coordinates: [ 0.500000000000000, 0.370775770000000, 0.250000000000000 ] mass: 88.905850 reduced_to: 97 - symbol: Y # 99 coordinates: [ 0.000000000000000, 0.370775770000000, 0.583333333333333 ] mass: 88.905850 reduced_to: 97 - symbol: Y # 100 coordinates: [ 0.500000000000000, 0.370775770000000, 0.583333333333333 ] mass: 88.905850 reduced_to: 97 - symbol: Y # 101 coordinates: [ 0.000000000000000, 0.370775770000000, 0.916666666666667 ] mass: 88.905850 reduced_to: 97 - symbol: Y # 102 coordinates: [ 0.500000000000000, 0.370775770000000, 0.916666666666667 ] mass: 88.905850 reduced_to: 97 - symbol: Y # 103 coordinates: [ 0.000000000000000, 0.629224230000000, 0.083333333333333 ] mass: 88.905850 reduced_to: 103 - symbol: Y # 104 coordinates: [ 0.500000000000000, 0.629224230000000, 0.083333333333333 ] mass: 88.905850 reduced_to: 103 - symbol: Y # 105 coordinates: [ 0.000000000000000, 0.629224230000000, 0.416666666666667 ] mass: 88.905850 reduced_to: 103 - symbol: Y # 106 coordinates: [ 0.500000000000000, 0.629224230000000, 0.416666666666667 ] mass: 88.905850 reduced_to: 103 - symbol: Y # 107 coordinates: [ 0.000000000000000, 0.629224230000000, 0.750000000000000 ] mass: 88.905850 reduced_to: 103 - symbol: Y # 108 coordinates: [ 0.500000000000000, 0.629224230000000, 0.750000000000000 ] mass: 88.905850 reduced_to: 103 - symbol: Y # 109 coordinates: [ 0.250000000000000, 0.870775770000000, 0.250000000000000 ] mass: 88.905850 reduced_to: 97 - symbol: Y # 110 coordinates: [ 0.750000000000000, 0.870775770000000, 0.250000000000000 ] mass: 88.905850 reduced_to: 97 - symbol: Y # 111 coordinates: [ 0.250000000000000, 0.870775770000000, 0.583333333333333 ] mass: 88.905850 reduced_to: 97 - symbol: Y # 112 coordinates: [ 0.750000000000000, 0.870775770000000, 0.583333333333333 ] mass: 88.905850 reduced_to: 97 - symbol: Y # 113 coordinates: [ 0.250000000000000, 0.870775770000000, 0.916666666666667 ] mass: 88.905850 reduced_to: 97 - symbol: Y # 114 coordinates: [ 0.750000000000000, 0.870775770000000, 0.916666666666667 ] mass: 88.905850 reduced_to: 97 - symbol: Y # 115 coordinates: [ 0.250000000000000, 0.129224230000000, 0.083333333333333 ] mass: 88.905850 reduced_to: 103 - symbol: Y # 116 coordinates: [ 0.750000000000000, 0.129224230000000, 0.083333333333333 ] mass: 88.905850 reduced_to: 103 - symbol: Y # 117 coordinates: [ 0.250000000000000, 0.129224230000000, 0.416666666666667 ] mass: 88.905850 reduced_to: 103 - symbol: Y # 118 coordinates: [ 0.750000000000000, 0.129224230000000, 0.416666666666667 ] mass: 88.905850 reduced_to: 103 - symbol: Y # 119 coordinates: [ 0.250000000000000, 0.129224230000000, 0.750000000000000 ] mass: 88.905850 reduced_to: 103 - symbol: Y # 120 coordinates: [ 0.750000000000000, 0.129224230000000, 0.750000000000000 ] mass: 88.905850 reduced_to: 103 - symbol: Nb # 121 coordinates: [ 0.250000000000000, 0.394449700000000, 0.250000000000000 ] mass: 92.906380 reduced_to: 121 - symbol: Nb # 122 coordinates: [ 0.750000000000000, 0.394449700000000, 0.250000000000000 ] mass: 92.906380 reduced_to: 121 - symbol: Nb # 123 coordinates: [ 0.250000000000000, 0.394449700000000, 0.583333333333333 ] mass: 92.906380 reduced_to: 121 - symbol: Nb # 124 coordinates: [ 0.750000000000000, 0.394449700000000, 0.583333333333333 ] mass: 92.906380 reduced_to: 121 - symbol: Nb # 125 coordinates: [ 0.250000000000000, 0.394449700000000, 0.916666666666667 ] mass: 92.906380 reduced_to: 121 - symbol: Nb # 126 coordinates: [ 0.750000000000000, 0.394449700000000, 0.916666666666667 ] mass: 92.906380 reduced_to: 121 - symbol: Nb # 127 coordinates: [ 0.250000000000000, 0.605550300000000, 0.083333333333333 ] mass: 92.906380 reduced_to: 127 - symbol: Nb # 128 coordinates: [ 0.750000000000000, 0.605550300000000, 0.083333333333333 ] mass: 92.906380 reduced_to: 127 - symbol: Nb # 129 coordinates: [ 0.250000000000000, 0.605550300000000, 0.416666666666667 ] mass: 92.906380 reduced_to: 127 - symbol: Nb # 130 coordinates: [ 0.750000000000000, 0.605550300000000, 0.416666666666667 ] mass: 92.906380 reduced_to: 127 - symbol: Nb # 131 coordinates: [ 0.250000000000000, 0.605550300000000, 0.750000000000000 ] mass: 92.906380 reduced_to: 127 - symbol: Nb # 132 coordinates: [ 0.750000000000000, 0.605550300000000, 0.750000000000000 ] mass: 92.906380 reduced_to: 127 - symbol: Nb # 133 coordinates: [ 0.000000000000000, 0.894449700000000, 0.250000000000000 ] mass: 92.906380 reduced_to: 121 - symbol: Nb # 134 coordinates: [ 0.500000000000000, 0.894449700000000, 0.250000000000000 ] mass: 92.906380 reduced_to: 121 - symbol: Nb # 135 coordinates: [ 0.000000000000000, 0.894449700000000, 0.583333333333333 ] mass: 92.906380 reduced_to: 121 - symbol: Nb # 136 coordinates: [ 0.500000000000000, 0.894449700000000, 0.583333333333333 ] mass: 92.906380 reduced_to: 121 - symbol: Nb # 137 coordinates: [ 0.000000000000000, 0.894449700000000, 0.916666666666667 ] mass: 92.906380 reduced_to: 121 - symbol: Nb # 138 coordinates: [ 0.500000000000000, 0.894449700000000, 0.916666666666667 ] mass: 92.906380 reduced_to: 121 - symbol: Nb # 139 coordinates: [ 0.000000000000000, 0.105550300000000, 0.083333333333333 ] mass: 92.906380 reduced_to: 127 - symbol: Nb # 140 coordinates: [ 0.500000000000000, 0.105550300000000, 0.083333333333333 ] mass: 92.906380 reduced_to: 127 - symbol: Nb # 141 coordinates: [ 0.000000000000000, 0.105550300000000, 0.416666666666667 ] mass: 92.906380 reduced_to: 127 - symbol: Nb # 142 coordinates: [ 0.500000000000000, 0.105550300000000, 0.416666666666667 ] mass: 92.906380 reduced_to: 127 - symbol: Nb # 143 coordinates: [ 0.000000000000000, 0.105550300000000, 0.750000000000000 ] mass: 92.906380 reduced_to: 127 - symbol: Nb # 144 coordinates: [ 0.500000000000000, 0.105550300000000, 0.750000000000000 ] mass: 92.906380 reduced_to: 127born_effective_charge:- # 1 (O) - [ -1.827081540000000, 0.187001940000000, 0.050337230000000 ] - [ 0.058189410000000, -2.116106910000000, -0.642551600000000 ] - [ 0.017228610000000, -0.678682100000000, -3.460361740000000 ]- # 2 (O) - [ -1.827081540000000, -0.187001940000000, 0.050337230000000 ] - [ -0.058189410000000, -2.116106910000000, 0.642551600000000 ] - [ 0.017228610000000, 0.678682100000000, -3.460361740000000 ]- # 3 (O) - [ -1.827081540000000, 0.187001940000000, 0.050337230000000 ] - [ 0.058189410000000, -2.116106910000000, -0.642551600000000 ] - [ 0.017228610000000, -0.678682100000000, -3.460361740000000 ]- # 4 (O) - [ -1.827081540000000, -0.187001940000000, 0.050337230000000 ] - [ -0.058189410000000, -2.116106910000000, 0.642551600000000 ] - [ 0.017228610000000, 0.678682100000000, -3.460361740000000 ]- # 5 (O) - [ -3.315457250000000, 0.999117010000000, 0.371020750000000 ] - [ 1.015674870000000, -2.536394640000000, -0.568046190000000 ] - [ 0.425749610000000, -0.434611790000000, -1.520958480000000 ]- # 6 (O) - [ -3.315457250000000, -0.999117010000000, 0.371020750000000 ] - [ -1.015674870000000, -2.536394640000000, 0.568046190000000 ] - [ 0.425749610000000, 0.434611790000000, -1.520958480000000 ]- # 7 (O) - [ -3.315457250000000, 0.999117010000000, 0.371020750000000 ] - [ 1.015674870000000, -2.536394640000000, -0.568046190000000 ] - [ 0.425749610000000, -0.434611790000000, -1.520958480000000 ]- # 8 (O) - [ -3.315457250000000, -0.999117010000000, 0.371020750000000 ] - [ -1.015674870000000, -2.536394640000000, 0.568046190000000 ] - [ 0.425749610000000, 0.434611790000000, -1.520958480000000 ]- # 9 (Y) - [ 4.572104300000000, 0.000000000000000, -0.115736080000000 ] - [ 0.000000000000000, 3.916356180000000, -0.000000000000000 ] - [ 0.427720020000000, 0.000000000000000, 4.442899290000000 ]- # 10 (Y) - [ 4.572104300000000, 0.000000000000000, -0.115736080000000 ] - [ 0.000000000000000, 3.916356180000000, -0.000000000000000 ] - [ 0.427720020000000, 0.000000000000000, 4.442899290000000 ]- # 11 (Nb) - [ 5.712973280000000, -0.000000000000000, -0.726979890000000 ] - [ 0.000000000000000, 5.388646920000000, -0.000000000000000 ] - [ -1.313676440000000, -0.000000000000000, 5.519741150000000 ]- # 12 (Nb) - [ 5.712973280000000, -0.000000000000000, -0.726979890000000 ] - [ 0.000000000000000, 5.388646920000000, -0.000000000000000 ] - [ -1.313676440000000, -0.000000000000000, 5.519741150000000 ]dielectric_constant: - [ 5.191387160000000, 0.000000000000000, -0.322075310000000 ] - [ 0.000000000000000, 4.857966310000000, 0.000000000000000 ] - [ -0.322073830000000, 0.000000000000000, 5.101036190000000 ]displacements:- atom: 1 displacement: [ 0.0099999799273570, 0.0000000000000000, 0.0000200362785128 ] forces: - [ -0.0677879800000000, -0.0122457800000000, -0.0118833900000000 ] - [ 0.0010131000000000, 0.0000612600000000, -0.0001923300000000 ] - [ 0.0007591800000000, -0.0006310500000000, -0.0018055200000000 ] - [ 0.0001802700000000, 0.0004126600000000, 0.0016459900000000 ] - [ 0.0007538900000000, 0.0002072700000000, -0.0019465900000000 ] - [ 0.0001822400000000, 0.0004148000000000, 0.0012429700000000 ] - [ 0.0019910200000000, 0.0013142100000000, -0.0008979400000000 ] - [ 0.0058778000000000, -0.0008121700000000, 0.0024057400000000 ] - [ -0.0004943500000000, -0.0006921800000000, 0.0017964400000000 ] - [ 0.0006748000000000, 0.0001032700000000, -0.0001892000000000 ] - [ 0.0008475800000000, 0.0003126000000000, -0.0004300500000000 ] - [ -0.0009875600000000, -0.0000390500000000, 0.0004525800000000 ] - [ 0.0010973200000000, -0.0002651400000000, -0.0007799100000000 ] - [ 0.0029676700000000, 0.0022664500000000, 0.0111771900000000 ] - [ 0.0121664400000000, -0.0048427100000000, 0.0143008100000000 ] - [ 0.0010428200000000, -0.0003516700000000, -0.0008103900000000 ] - [ 0.0001393600000000, -0.0015028800000000, -0.0013330500000000 ] - [ 0.0001110400000000, 0.0001523200000000, -0.0001750200000000 ] - [ 0.0075229700000000, -0.0045725900000000, -0.0167419100000000 ] - [ 0.0008966200000000, -0.0000908300000000, 0.0005630500000000 ] - [ 0.0075184600000000, 0.0059284600000000, -0.0207429500000000 ] - [ 0.0008977000000000, -0.0000754800000000, 0.0005815300000000 ] - [ 0.0003451300000000, 0.0000680200000000, -0.0009857600000000 ] - [ -0.0004771700000000, -0.0007936800000000, 0.0018470800000000 ] - [ 0.0001320300000000, 0.0013590000000000, -0.0004317300000000 ] - [ 0.0015758800000000, -0.0011133900000000, 0.0001998800000000 ] - [ -0.0060860700000000, 0.0000251300000000, -0.0036043200000000 ] - [ 0.0012957800000000, -0.0002375600000000, 0.0003489800000000 ] - [ 0.0007907400000000, -0.0003648600000000, 0.0000414200000000 ] - [ -0.0005589900000000, 0.0000574900000000, 0.0007065200000000 ] - [ 0.0017718400000000, 0.0009861500000000, -0.0009674200000000 ] - [ -0.0007972300000000, -0.0011944200000000, 0.0006038500000000 ] - [ -0.0007693900000000, 0.0043613700000000, 0.0055686900000000 ] - [ 0.0010911900000000, 0.0000640100000000, -0.0005738300000000 ] - [ -0.0001935700000000, -0.0003618800000000, -0.0002378700000000 ] - [ -0.0001329900000000, -0.0000743000000000, -0.0002703500000000 ] - [ 0.0105265200000000, -0.0073087000000000, -0.0045239800000000 ] - [ 0.0054355200000000, 0.0006180700000000, 0.0001504400000000 ] - [ -0.0029855800000000, 0.0014232300000000, 0.0001947800000000 ] - [ 0.0007738100000000, -0.0001530800000000, -0.0004880200000000 ] - [ 0.0009737700000000, -0.0002851300000000, -0.0007396800000000 ] - [ -0.0020743600000000, 0.0008723100000000, 0.0000619700000000 ] - [ -0.0086247100000000, -0.0064066200000000, 0.0016136200000000 ] - [ 0.0023748500000000, 0.0009226400000000, -0.0000736600000000 ] - [ 0.0012688300000000, 0.0009447800000000, -0.0002889600000000 ] - [ 0.0003164300000000, -0.0000311400000000, 0.0007428000000000 ] - [ 0.0009794400000000, 0.0001929600000000, -0.0003572100000000 ] - [ 0.0004620600000000, 0.0006184600000000, 0.0005554200000000 ] - [ -0.0000236500000000, -0.0006262400000000, 0.0000511400000000 ] - [ -0.0000195700000000, 0.0004019100000000, 0.0000699400000000 ] - [ -0.0004729100000000, 0.0004375700000000, 0.0003431800000000 ] - [ 0.0001103900000000, 0.0000130000000000, -0.0002628800000000 ] - [ 0.0001075100000000, 0.0000586600000000, -0.0003955400000000 ] - [ -0.0004732700000000, 0.0001361200000000, 0.0000568500000000 ] - [ -0.0006547600000000, -0.0006418900000000, -0.0001219100000000 ] - [ 0.0006373000000000, 0.0002196900000000, 0.0001140500000000 ] - [ 0.0002230700000000, 0.0005350600000000, -0.0004783000000000 ] - [ 0.0002146500000000, -0.0001339100000000, 0.0007600300000000 ] - [ 0.0001695700000000, -0.0000437600000000, -0.0005989900000000 ] - [ 0.0001419700000000, 0.0002534900000000, 0.0004061800000000 ] - [ -0.0003505200000000, -0.0000325400000000, -0.0003011600000000 ] - [ 0.0005288500000000, -0.0003092200000000, 0.0001343100000000 ] - [ -0.0002773300000000, -0.0000147200000000, -0.0002829400000000 ] - [ 0.0005476100000000, -0.0001913000000000, 0.0002019100000000 ] - [ 0.0004055800000000, -0.0001907100000000, -0.0003125900000000 ] - [ -0.0000366200000000, 0.0000568500000000, 0.0006925500000000 ] - [ 0.0002531800000000, -0.0001095400000000, -0.0002881600000000 ] - [ -0.0003942900000000, -0.0003414300000000, 0.0003406200000000 ] - [ -0.0004005300000000, 0.0001091700000000, 0.0003290200000000 ] - [ 0.0002553600000000, 0.0000473900000000, -0.0003276800000000 ] - [ -0.0001715800000000, -0.0001470700000000, -0.0000694500000000 ] - [ -0.0001687800000000, -0.0000670800000000, -0.0000421000000000 ] - [ 0.0020147200000000, -0.0009166300000000, -0.0003127700000000 ] - [ -0.0021837600000000, 0.0025663100000000, 0.0019866200000000 ] - [ -0.0000571400000000, -0.0012756400000000, 0.0011266500000000 ] - [ 0.0007920300000000, 0.0000394900000000, 0.0001400100000000 ] - [ -0.0001718000000000, 0.0004848200000000, 0.0003424400000000 ] - [ 0.0001712700000000, -0.0006090000000000, 0.0000566600000000 ] - [ -0.0018630100000000, -0.0015957700000000, -0.0007957400000000 ] - [ 0.0010135800000000, 0.0006110800000000, -0.0003627500000000 ] - [ 0.0000171900000000, 0.0025819000000000, -0.0020931000000000 ] - [ 0.0008882200000000, -0.0004221500000000, 0.0001845200000000 ] - [ 0.0005470500000000, 0.0001499800000000, -0.0007154100000000 ] - [ -0.0006372000000000, -0.0003712100000000, 0.0001464100000000 ] - [ -0.0019853200000000, -0.0027518700000000, -0.0002751900000000 ] - [ 0.0009585100000000, -0.0002811300000000, -0.0004927500000000 ] - [ 0.0001985500000000, -0.0003604900000000, -0.0006585500000000 ] - [ -0.0000050400000000, 0.0006574900000000, 0.0002893200000000 ] - [ -0.0001629000000000, 0.0003903800000000, -0.0006382100000000 ] - [ 0.0001177400000000, -0.0002498100000000, -0.0001132900000000 ] - [ 0.0009019900000000, 0.0008734900000000, 0.0001864000000000 ] - [ -0.0001091200000000, -0.0006308900000000, 0.0001578200000000 ] - [ -0.0008499200000000, -0.0000802100000000, 0.0010004300000000 ] - [ 0.0005630200000000, 0.0002828100000000, 0.0002108500000000 ] - [ 0.0006187900000000, 0.0000706900000000, 0.0002991800000000 ] - [ -0.0006410600000000, -0.0005573500000000, 0.0007532400000000 ] - [ 0.0075761600000000, -0.0016712200000000, -0.0005768800000000 ] - [ -0.0045173600000000, -0.0006308000000000, -0.0004427700000000 ] - [ -0.0015071500000000, 0.0000728100000000, 0.0009261300000000 ] - [ 0.0016880400000000, 0.0016803500000000, -0.0041956500000000 ] - [ 0.0015169700000000, 0.0020474900000000, 0.0032877900000000 ] - [ -0.0010765800000000, -0.0006595300000000, 0.0000517300000000 ] - [ 0.0099369800000000, 0.0009475600000000, -0.0028783400000000 ] - [ -0.0020646900000000, 0.0001532400000000, 0.0001283600000000 ] - [ -0.0029110300000000, 0.0029784700000000, 0.0026888900000000 ] - [ -0.0037779500000000, -0.0026446400000000, -0.0015629100000000 ] - [ -0.0004258300000000, -0.0006096400000000, 0.0008612100000000 ] - [ 0.0004633300000000, 0.0006849200000000, -0.0012324300000000 ] - [ 0.0011737700000000, -0.0013788800000000, 0.0006591100000000 ] - [ -0.0010415200000000, 0.0004598700000000, 0.0002602500000000 ] - [ 0.0005361800000000, -0.0002917000000000, 0.0000395100000000 ] - [ -0.0005314900000000, 0.0002493800000000, -0.0001943800000000 ] - [ -0.0005377000000000, -0.0000843700000000, 0.0008066700000000 ] - [ 0.0004675100000000, 0.0005480600000000, -0.0010106600000000 ] - [ -0.0001030300000000, 0.0022094600000000, 0.0024284200000000 ] - [ -0.0003860500000000, -0.0009646800000000, -0.0006581100000000 ] - [ 0.0022082300000000, 0.0005301200000000, -0.0015652100000000 ] - [ -0.0012931900000000, -0.0003516000000000, 0.0002752200000000 ] - [ -0.0004691500000000, -0.0004051800000000, 0.0008772600000000 ] - [ 0.0003870500000000, -0.0004330200000000, -0.0007742700000000 ] - [ -0.0045530000000000, 0.0162434200000000, 0.0074610600000000 ] - [ -0.0050948800000000, 0.0001277700000000, 0.0013064200000000 ] - [ 0.0026425500000000, -0.0015036700000000, 0.0066777800000000 ] - [ -0.0010741800000000, 0.0007255200000000, -0.0004925300000000 ] - [ -0.0022248800000000, 0.0005949400000000, 0.0016464500000000 ] - [ 0.0018757100000000, -0.0011782700000000, -0.0051024000000000 ] - [ -0.0045146400000000, -0.0035988200000000, 0.0029166200000000 ] - [ -0.0026514600000000, 0.0024429800000000, -0.0040831500000000 ] - [ 0.0294837000000000, 0.0061988600000000, 0.0154567900000000 ] - [ -0.0022426700000000, -0.0002851900000000, 0.0005655900000000 ] - [ -0.0011409500000000, 0.0003578900000000, 0.0013836000000000 ] - [ 0.0009854400000000, -0.0005687900000000, -0.0013846800000000 ] - [ 0.0001132100000000, 0.0021473100000000, 0.0003412800000000 ] - [ -0.0016832600000000, 0.0002676100000000, 0.0001911100000000 ] - [ -0.0009635400000000, 0.0004371400000000, 0.0006035700000000 ] - [ 0.0007782200000000, -0.0003309500000000, -0.0016954400000000 ] - [ 0.0009517000000000, 0.0003806300000000, 0.0003520000000000 ] - [ -0.0006244200000000, 0.0007979100000000, -0.0001002200000000 ] - [ 0.0036671100000000, -0.0002186000000000, 0.0001005500000000 ] - [ -0.0021055700000000, -0.0003025300000000, 0.0004062000000000 ] - [ -0.0013437400000000, -0.0020881300000000, 0.0007347800000000 ] - [ -0.0007834500000000, 0.0011434200000000, -0.0013475200000000 ] - [ -0.0006934200000000, -0.0003495400000000, 0.0006353900000000 ] - [ 0.0008131500000000, -0.0011437100000000, -0.0005438300000000 ]- atom: 1 displacement: [ -0.0099999799273570, 0.0000000000000000, -0.0000200362785128 ] forces: - [ 0.0674892700000000, 0.0139703500000000, 0.0119660900000000 ] - [ -0.0013093300000000, 0.0001860300000000, 0.0000555800000000 ] - [ -0.0010466300000000, 0.0008698400000000, 0.0016595300000000 ] - [ -0.0004812600000000, -0.0001644400000000, -0.0017784300000000 ] - [ -0.0010486800000000, 0.0000320200000000, 0.0017869000000000 ] - [ -0.0004824800000000, -0.0001722000000000, -0.0013913100000000 ] - [ -0.0016847600000000, -0.0010596800000000, 0.0010385300000000 ] - [ -0.0056551900000000, 0.0010689700000000, -0.0022852400000000 ] - [ 0.0007805400000000, 0.0010846200000000, -0.0018029000000000 ] - [ -0.0003747400000000, 0.0001323600000000, 0.0003405700000000 ] - [ -0.0005469800000000, -0.0000691600000000, 0.0005675700000000 ] - [ 0.0012837700000000, 0.0003016800000000, -0.0003222600000000 ] - [ -0.0007949700000000, 0.0000237400000000, 0.0009133100000000 ] - [ -0.0026681000000000, -0.0025144800000000, -0.0111089200000000 ] - [ -0.0117496900000000, 0.0045462500000000, -0.0138875600000000 ] - [ -0.0007399700000000, 0.0001150100000000, 0.0009655700000000 ] - [ 0.0001685900000000, 0.0012610000000000, 0.0014505600000000 ] - [ 0.0001829500000000, -0.0003864400000000, 0.0003175100000000 ] - [ -0.0077992200000000, 0.0042707700000000, 0.0163871100000000 ] - [ -0.0011981900000000, -0.0001501000000000, -0.0007144000000000 ] - [ -0.0078218700000000, -0.0062119900000000, 0.0207765400000000 ] - [ -0.0011954600000000, -0.0001622100000000, -0.0007218100000000 ] - [ -0.0006394700000000, -0.0003043400000000, 0.0008343300000000 ] - [ 0.0001745800000000, 0.0005626300000000, -0.0020051000000000 ] - [ -0.0000284400000000, -0.0014627600000000, 0.0011613900000000 ] - [ -0.0014834900000000, 0.0010165700000000, 0.0005388600000000 ] - [ 0.0062624800000000, -0.0001487600000000, 0.0043330100000000 ] - [ -0.0012049200000000, 0.0001368000000000, 0.0003889400000000 ] - [ -0.0006912000000000, 0.0002607400000000, 0.0006949900000000 ] - [ 0.0006696900000000, -0.0001765100000000, 0.0000225600000000 ] - [ -0.0018493200000000, -0.0010746800000000, 0.0002245300000000 ] - [ 0.0006990800000000, 0.0010839100000000, -0.0013364000000000 ] - [ 0.0005669800000000, -0.0044746300000000, -0.0062319700000000 ] - [ -0.0011855400000000, -0.0001697000000000, -0.0001614500000000 ] - [ 0.0001006400000000, 0.0002533100000000, -0.0005056800000000 ] - [ 0.0000264500000000, -0.0000349400000000, -0.0004648900000000 ] - [ -0.0104419600000000, 0.0073205400000000, 0.0037259600000000 ] - [ -0.0055861000000000, -0.0005029000000000, -0.0008883700000000 ] - [ 0.0028755000000000, -0.0012860200000000, -0.0009244500000000 ] - [ -0.0008709000000000, 0.0002598200000000, -0.0002476800000000 ] - [ -0.0010631900000000, 0.0003883200000000, -0.0000023200000000 ] - [ 0.0019700800000000, -0.0007632000000000, -0.0007990100000000 ] - [ 0.0086542400000000, 0.0065727700000000, -0.0008774500000000 ] - [ -0.0022868800000000, -0.0008253600000000, 0.0008170800000000 ] - [ -0.0011553800000000, -0.0008230700000000, 0.0010238000000000 ] - [ -0.0002042500000000, 0.0001533400000000, -0.0000108900000000 ] - [ -0.0008624700000000, -0.0000754400000000, 0.0010841900000000 ] - [ -0.0003632700000000, -0.0005093000000000, 0.0001789400000000 ] - [ -0.0002764700000000, 0.0008587600000000, -0.0001843200000000 ] - [ -0.0002730800000000, -0.0001728900000000, -0.0002182500000000 ] - [ 0.0001766200000000, -0.0002061100000000, -0.0004928900000000 ] - [ -0.0004048900000000, 0.0002256900000000, 0.0001218900000000 ] - [ -0.0004073900000000, 0.0001730400000000, 0.0002317300000000 ] - [ 0.0001752900000000, 0.0001056200000000, -0.0001941400000000 ] - [ 0.0009505500000000, 0.0008749300000000, 0.0002581900000000 ] - [ -0.0003378200000000, 0.0000051800000000, 0.0000566400000000 ] - [ 0.0000757900000000, -0.0002996400000000, 0.0006238800000000 ] - [ 0.0000802400000000, 0.0003644100000000, -0.0006031900000000 ] - [ 0.0001259300000000, 0.0002799000000000, 0.0007395600000000 ] - [ 0.0001606900000000, -0.0000151800000000, -0.0002596700000000 ] - [ 0.0006427400000000, -0.0002184300000000, 0.0004306900000000 ] - [ -0.0002237700000000, 0.0000634600000000, 0.0000112100000000 ] - [ 0.0005791300000000, -0.0002452900000000, 0.0004109200000000 ] - [ -0.0002492100000000, -0.0000541600000000, -0.0000674200000000 ] - [ -0.0001071800000000, -0.0000535400000000, 0.0004465300000000 ] - [ 0.0003361300000000, -0.0003072700000000, -0.0005656100000000 ] - [ -0.0005550700000000, -0.0001350700000000, 0.0001401000000000 ] - [ 0.0001041700000000, 0.0000897500000000, -0.0004613500000000 ] - [ 0.0000987700000000, -0.0003644700000000, -0.0004649100000000 ] - [ -0.0005541500000000, -0.0002906100000000, 0.0001822200000000 ] - [ -0.0001303000000000, -0.0000968200000000, -0.0000778100000000 ] - [ -0.0001282300000000, -0.0001767700000000, -0.0000968300000000 ] - [ -0.0018998700000000, 0.0008028700000000, 0.0010417300000000 ] - [ 0.0022955900000000, -0.0027025700000000, -0.0012757900000000 ] - [ 0.0001632100000000, 0.0011520400000000, -0.0003883600000000 ] - [ -0.0006960200000000, -0.0001447700000000, 0.0005995300000000 ] - [ 0.0002802200000000, -0.0005981400000000, 0.0003879300000000 ] - [ -0.0000696300000000, 0.0004943600000000, 0.0006758500000000 ] - [ 0.0017335500000000, 0.0014614600000000, 0.0000631300000000 ] - [ -0.0011210900000000, -0.0007265700000000, -0.0003719300000000 ] - [ -0.0001320700000000, -0.0027193100000000, 0.0013912300000000 ] - [ -0.0009857700000000, 0.0003086400000000, -0.0009137600000000 ] - [ -0.0006460800000000, -0.0002620000000000, -0.0000220200000000 ] - [ 0.0005406300000000, 0.0002636300000000, -0.0008828500000000 ] - [ 0.0019110200000000, 0.0027753100000000, -0.0004370800000000 ] - [ -0.0010508000000000, 0.0003865000000000, -0.0002452800000000 ] - [ -0.0002887500000000, 0.0004670800000000, -0.0000819100000000 ] - [ -0.0001055400000000, -0.0005503100000000, -0.0010304400000000 ] - [ 0.0000738500000000, -0.0002903300000000, -0.0001019400000000 ] - [ -0.0002270100000000, 0.0003625600000000, -0.0006241300000000 ] - [ -0.0007998200000000, -0.0007558100000000, 0.0005514500000000 ] - [ 0.0002217400000000, 0.0007425600000000, 0.0005836200000000 ] - [ 0.0009432800000000, 0.0001780500000000, -0.0002716900000000 ] - [ -0.0004495100000000, -0.0001630800000000, 0.0005226800000000 ] - [ -0.0005259300000000, 0.0000296600000000, 0.0004373100000000 ] - [ 0.0007393800000000, 0.0006506100000000, -0.0000045100000000 ] - [ -0.0080090800000000, 0.0013432200000000, 0.0005115900000000 ] - [ 0.0044940100000000, 0.0008361300000000, 0.0004364400000000 ] - [ 0.0015022000000000, 0.0001479600000000, -0.0009297200000000 ] - [ -0.0016486500000000, -0.0014756400000000, 0.0041782000000000 ] - [ -0.0015117000000000, -0.0018202700000000, -0.0032722300000000 ] - [ 0.0010758800000000, 0.0008800900000000, -0.0000410500000000 ] - [ -0.0099453400000000, -0.0012269600000000, 0.0029349800000000 ] - [ 0.0020656300000000, -0.0003738000000000, -0.0001253000000000 ] - [ 0.0028930900000000, -0.0032222400000000, -0.0027178700000000 ] - [ 0.0038016900000000, 0.0023878900000000, 0.0015583200000000 ] - [ 0.0004260700000000, 0.0003838000000000, -0.0008553400000000 ] - [ -0.0004632800000000, -0.0008930300000000, 0.0012752700000000 ] - [ -0.0011530400000000, 0.0016303600000000, -0.0006822500000000 ] - [ 0.0010328700000000, -0.0002422800000000, -0.0002644800000000 ] - [ -0.0005449800000000, 0.0005340800000000, -0.0000186100000000 ] - [ 0.0005349900000000, -0.0000245800000000, 0.0001916700000000 ] - [ 0.0005380900000000, 0.0003026700000000, -0.0008010300000000 ] - [ -0.0004697800000000, -0.0003238400000000, 0.0010110300000000 ] - [ 0.0001079600000000, -0.0024085000000000, -0.0024071900000000 ] - [ 0.0003895400000000, 0.0007579200000000, 0.0006628400000000 ] - [ -0.0022090100000000, -0.0007444800000000, 0.0015589200000000 ] - [ 0.0012918500000000, 0.0001368700000000, -0.0002801400000000 ] - [ 0.0004652700000000, 0.0001853300000000, -0.0008726700000000 ] - [ -0.0003848000000000, 0.0002130200000000, 0.0007775900000000 ] - [ 0.0049977200000000, -0.0156547800000000, -0.0074339500000000 ] - [ 0.0051254900000000, 0.0007955900000000, -0.0013222500000000 ] - [ -0.0026864400000000, 0.0023830000000000, -0.0066624000000000 ] - [ 0.0010676900000000, 0.0001934900000000, 0.0004912500000000 ] - [ 0.0022100400000000, 0.0003254900000000, -0.0016281800000000 ] - [ -0.0018763100000000, 0.0020959000000000, 0.0051195300000000 ] - [ 0.0044953600000000, 0.0026466500000000, -0.0028953700000000 ] - [ 0.0026576100000000, -0.0033923300000000, 0.0041151000000000 ] - [ -0.0296677400000000, -0.0074553900000000, -0.0157350800000000 ] - [ 0.0022457500000000, -0.0006482300000000, -0.0005765600000000 ] - [ 0.0011319700000000, -0.0012893200000000, -0.0013740100000000 ] - [ -0.0009833700000000, -0.0003630100000000, 0.0013924200000000 ] - [ -0.0001556200000000, -0.0011808100000000, -0.0003461600000000 ] - [ 0.0016799900000000, 0.0006624800000000, -0.0001850200000000 ] - [ 0.0009513600000000, 0.0004933900000000, -0.0005986400000000 ] - [ -0.0007642500000000, 0.0012823600000000, 0.0017103700000000 ] - [ -0.0009483500000000, 0.0005586100000000, -0.0003458700000000 ] - [ 0.0006279900000000, 0.0001269500000000, 0.0001040800000000 ] - [ -0.0036623600000000, -0.0006808000000000, -0.0001029300000000 ] - [ 0.0021029700000000, -0.0005970700000000, -0.0004100800000000 ] - [ 0.0013545900000000, 0.0011850900000000, -0.0007434600000000 ] - [ 0.0007872300000000, -0.0020448200000000, 0.0013240100000000 ] - [ 0.0006917600000000, -0.0005714100000000, -0.0006346400000000 ] - [ -0.0008161800000000, 0.0002292000000000, 0.0005534400000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0132131200000000, -0.1071381000000000, -0.0419667100000000 ] - [ -0.0002104100000000, -0.0005770000000000, -0.0004774100000000 ] - [ -0.0000545300000000, -0.0006154300000000, -0.0005612100000000 ] - [ 0.0001449000000000, -0.0004383000000000, -0.0004388300000000 ] - [ -0.0008995800000000, -0.0006151500000000, 0.0007391100000000 ] - [ 0.0001379000000000, -0.0004371000000000, 0.0005985300000000 ] - [ -0.0010433700000000, -0.0022209800000000, 0.0003704600000000 ] - [ 0.0010935800000000, -0.0029713400000000, 0.0006275400000000 ] - [ 0.0010088700000000, -0.0141263100000000, 0.0137535700000000 ] - [ 0.0001623300000000, -0.0000002800000000, 0.0000295700000000 ] - [ -0.0000431100000000, -0.0001527800000000, 0.0006735800000000 ] - [ 0.0003205700000000, -0.0018423200000000, -0.0010750000000000 ] - [ 0.0000027000000000, -0.0004663900000000, 0.0004964200000000 ] - [ 0.0025307400000000, -0.0021214700000000, 0.0061740000000000 ] - [ -0.0045586800000000, -0.0049362600000000, -0.0085389200000000 ] - [ -0.0000809000000000, -0.0007937200000000, -0.0007785200000000 ] - [ -0.0012344100000000, -0.0010204800000000, 0.0005106500000000 ] - [ 0.0004155200000000, -0.0004946100000000, 0.0002361400000000 ] - [ -0.0062527000000000, -0.0036320700000000, 0.0096591000000000 ] - [ -0.0001922400000000, -0.0006414800000000, 0.0006729100000000 ] - [ 0.0043090400000000, -0.0036295300000000, -0.0096581200000000 ] - [ -0.0001794400000000, -0.0006420700000000, -0.0005954300000000 ] - [ -0.0003340600000000, -0.0004167000000000, 0.0003568700000000 ] - [ 0.0005272700000000, -0.0010600300000000, 0.0016380200000000 ] - [ 0.0037962400000000, -0.0014157500000000, -0.0010995000000000 ] - [ -0.0001131800000000, -0.0005166400000000, 0.0001989900000000 ] - [ -0.0071966000000000, 0.0053971700000000, 0.0050883100000000 ] - [ 0.0004762000000000, -0.0002689400000000, 0.0002219700000000 ] - [ -0.0002837000000000, -0.0000208300000000, 0.0005405400000000 ] - [ 0.0006100700000000, -0.0003884700000000, 0.0004527100000000 ] - [ -0.0005299900000000, -0.0006113800000000, -0.0001412600000000 ] - [ -0.0024656500000000, -0.0009385900000000, -0.0008568100000000 ] - [ 0.0101525000000000, 0.0069454200000000, 0.0040528600000000 ] - [ -0.0007626000000000, -0.0004040900000000, -0.0002871200000000 ] - [ -0.0012173900000000, -0.0005962800000000, 0.0005135500000000 ] - [ 0.0002958200000000, -0.0001429000000000, -0.0003866100000000 ] - [ -0.0103944600000000, 0.0071858700000000, 0.0037393400000000 ] - [ 0.0066654300000000, 0.0005266200000000, 0.0002370300000000 ] - [ -0.0003543100000000, -0.0014190400000000, -0.0015821300000000 ] - [ -0.0000051900000000, -0.0000631000000000, -0.0005040900000000 ] - [ -0.0003863800000000, 0.0001600600000000, -0.0001417100000000 ] - [ -0.0000095100000000, 0.0000433200000000, 0.0001212800000000 ] - [ -0.0069048500000000, 0.0247535000000000, -0.0025703800000000 ] - [ 0.0001772000000000, 0.0003261000000000, 0.0001186100000000 ] - [ -0.0005747200000000, -0.0003806600000000, 0.0003751900000000 ] - [ 0.0003914300000000, -0.0000824900000000, 0.0002521700000000 ] - [ -0.0006365800000000, -0.0001836000000000, 0.0010250800000000 ] - [ 0.0003202200000000, 0.0001101500000000, 0.0006991700000000 ] - [ 0.0001413300000000, 0.0016138800000000, -0.0001744600000000 ] - [ -0.0008945700000000, 0.0016147600000000, 0.0004901200000000 ] - [ -0.0001321100000000, 0.0010375000000000, -0.0004099200000000 ] - [ -0.0002028600000000, 0.0004420900000000, 0.0000004200000000 ] - [ -0.0002560800000000, 0.0004383900000000, 0.0003601200000000 ] - [ 0.0001745600000000, 0.0010425500000000, 0.0007273800000000 ] - [ 0.0009087800000000, 0.0040211300000000, -0.0004824000000000 ] - [ 0.0000401100000000, 0.0005866300000000, -0.0001733200000000 ] - [ -0.0002700800000000, 0.0007782500000000, -0.0003432900000000 ] - [ 0.0003976500000000, 0.0009285700000000, -0.0006138200000000 ] - [ 0.0003076600000000, 0.0005689200000000, 0.0005676900000000 ] - [ 0.0000133000000000, 0.0004519300000000, 0.0001959700000000 ] - [ 0.0002402900000000, 0.0010302400000000, -0.0001589800000000 ] - [ -0.0000370800000000, 0.0003129500000000, 0.0002574900000000 ] - [ 0.0002602400000000, 0.0022539100000000, 0.0014142900000000 ] - [ 0.0000785400000000, 0.0002688100000000, 0.0000798500000000 ] - [ 0.0000787600000000, 0.0000999100000000, 0.0003712400000000 ] - [ 0.0003306200000000, 0.0005208500000000, 0.0006832200000000 ] - [ -0.0003185000000000, 0.0003372200000000, -0.0002985300000000 ] - [ -0.0003812500000000, 0.0018156300000000, -0.0022637200000000 ] - [ 0.0000704100000000, 0.0018085300000000, -0.0003790700000000 ] - [ -0.0001618900000000, 0.0003374500000000, -0.0002350200000000 ] - [ -0.0002070600000000, 0.0001913500000000, 0.0004859600000000 ] - [ -0.0001209700000000, 0.0001920000000000, -0.0002446000000000 ] - [ -0.0013782200000000, 0.0007267800000000, 0.0010289500000000 ] - [ -0.0003060700000000, 0.0029609400000000, 0.0026884900000000 ] - [ -0.0010509700000000, 0.0010733800000000, -0.0010290500000000 ] - [ 0.0000182600000000, 0.0002167300000000, 0.0001339100000000 ] - [ -0.0000954100000000, 0.0001600500000000, 0.0004866700000000 ] - [ -0.0001002000000000, 0.0003853400000000, 0.0007370000000000 ] - [ 0.0005074700000000, 0.0013394500000000, 0.0008198000000000 ] - [ 0.0000229300000000, 0.0001327000000000, -0.0000687100000000 ] - [ 0.0020472900000000, 0.0031819000000000, -0.0029807100000000 ] - [ -0.0003023500000000, 0.0005769300000000, -0.0011297200000000 ] - [ -0.0001522000000000, 0.0000647100000000, -0.0002879600000000 ] - [ 0.0001371900000000, 0.0001961400000000, -0.0003469500000000 ] - [ -0.0048440500000000, 0.0171623100000000, -0.0030510400000000 ] - [ -0.0001657800000000, -0.0000108900000000, -0.0004463500000000 ] - [ -0.0015157800000000, 0.0006567000000000, 0.0001795800000000 ] - [ 0.0011780900000000, 0.0006412200000000, 0.0004110800000000 ] - [ 0.0003220600000000, -0.0000346500000000, -0.0004819900000000 ] - [ -0.0005321500000000, 0.0005772300000000, 0.0000119200000000 ] - [ 0.0017291600000000, 0.0006224900000000, -0.0001528800000000 ] - [ -0.0025211700000000, -0.0003796100000000, -0.0000560800000000 ] - [ 0.0010225400000000, 0.0018022900000000, 0.0016288600000000 ] - [ -0.0000654600000000, -0.0000511000000000, 0.0004083400000000 ] - [ -0.0002470200000000, -0.0000288300000000, 0.0005791400000000 ] - [ 0.0011411500000000, 0.0023866900000000, -0.0010368600000000 ] - [ -0.0079342200000000, 0.0086963200000000, -0.0013715000000000 ] - [ 0.0027902100000000, 0.0015890300000000, 0.0006662400000000 ] - [ 0.0001178600000000, 0.0001375100000000, 0.0002810600000000 ] - [ -0.0025545900000000, 0.0019797500000000, 0.0022895400000000 ] - [ -0.0003305600000000, -0.0003118700000000, -0.0029092800000000 ] - [ -0.0000434100000000, 0.0004581200000000, -0.0007830400000000 ] - [ -0.0008106200000000, 0.0139680000000000, -0.0089448000000000 ] - [ 0.0002759200000000, 0.0003086200000000, -0.0002503000000000 ] - [ 0.0041130100000000, 0.0032545400000000, -0.0003200500000000 ] - [ -0.0033424400000000, 0.0036003400000000, 0.0003778400000000 ] - [ -0.0001249100000000, 0.0004711500000000, -0.0002705900000000 ] - [ -0.0000002500000000, -0.0011775900000000, -0.0039730600000000 ] - [ -0.0030791100000000, -0.0044726600000000, 0.0021714700000000 ] - [ 0.0012187300000000, -0.0003487900000000, 0.0001793000000000 ] - [ 0.0010454400000000, -0.0028117000000000, -0.0026566100000000 ] - [ -0.0005042200000000, -0.0003273500000000, 0.0001491700000000 ] - [ -0.0000036100000000, -0.0000609500000000, -0.0003339100000000 ] - [ 0.0001392200000000, -0.0002596900000000, 0.0005410500000000 ] - [ 0.0004260000000000, -0.0029669500000000, -0.0022761500000000 ] - [ -0.0002012100000000, -0.0019334800000000, -0.0005979300000000 ] - [ -0.0009072900000000, -0.0050395000000000, 0.0042491100000000 ] - [ 0.0002260700000000, -0.0006334500000000, 0.0003718800000000 ] - [ 0.0001860400000000, -0.0003503700000000, -0.0002476700000000 ] - [ -0.0002758800000000, -0.0005898500000000, -0.0002840800000000 ] - [ 0.0245922300000000, 0.0021017000000000, -0.0054598300000000 ] - [ -0.0021125300000000, 0.0027666800000000, 0.0007302600000000 ] - [ 0.0045392100000000, 0.0026546400000000, 0.0037586800000000 ] - [ -0.0002428500000000, 0.0007662600000000, 0.0004675400000000 ] - [ 0.0010813700000000, 0.0008677300000000, -0.0009302100000000 ] - [ 0.0000600100000000, 0.0006395700000000, -0.0036581300000000 ] - [ 0.0000960100000000, 0.0044459100000000, -0.0003883400000000 ] - [ 0.0010607800000000, 0.0026862100000000, -0.0006125400000000 ] - [ 0.0062912400000000, 0.0540521000000000, 0.0413665400000000 ] - [ 0.0000564600000000, 0.0005549900000000, 0.0005147400000000 ] - [ 0.0015091800000000, 0.0003305900000000, -0.0006575700000000 ] - [ -0.0007539400000000, 0.0001125500000000, 0.0003698700000000 ] - [ 0.0070496600000000, -0.0075744100000000, 0.0002149500000000 ] - [ -0.0005523800000000, -0.0005877200000000, 0.0003673300000000 ] - [ 0.0009083800000000, -0.0003794200000000, -0.0001832200000000 ] - [ -0.0015620200000000, -0.0030754000000000, -0.0013700800000000 ] - [ -0.0012490800000000, -0.0009407400000000, 0.0003583600000000 ] - [ 0.0006851000000000, 0.0000251400000000, -0.0006587600000000 ] - [ -0.0005868100000000, -0.0058751500000000, -0.0016793600000000 ] - [ 0.0007663500000000, -0.0016782000000000, -0.0003533600000000 ] - [ -0.0009570800000000, -0.0036603200000000, 0.0004080400000000 ] - [ 0.0003173900000000, -0.0032825100000000, 0.0015838000000000 ] - [ 0.0001657300000000, -0.0009778700000000, -0.0003975700000000 ] - [ 0.0000954400000000, -0.0012294400000000, -0.0002643500000000 ]- atom: 1 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0128525800000000, 0.1083534600000000, 0.0410502100000000 ] - [ -0.0000866600000000, 0.0008206900000000, 0.0003429500000000 ] - [ -0.0002320300000000, 0.0008514900000000, 0.0004168800000000 ] - [ -0.0004423400000000, 0.0006788200000000, 0.0002994900000000 ] - [ 0.0006037400000000, 0.0008512200000000, -0.0008825400000000 ] - [ -0.0004327500000000, 0.0006815000000000, -0.0007318000000000 ] - [ 0.0013309800000000, 0.0024657000000000, -0.0002262500000000 ] - [ -0.0007853300000000, 0.0032290300000000, -0.0004818800000000 ] - [ -0.0007095900000000, 0.0142733300000000, -0.0135292300000000 ] - [ 0.0001317900000000, 0.0002367000000000, 0.0001147600000000 ] - [ 0.0003384400000000, 0.0003932600000000, -0.0005344900000000 ] - [ -0.0000253900000000, 0.0020838000000000, 0.0011887000000000 ] - [ 0.0002902500000000, 0.0002237500000000, -0.0003613200000000 ] - [ -0.0022281400000000, 0.0019163200000000, -0.0060222000000000 ] - [ 0.0047926700000000, 0.0047875100000000, 0.0086244100000000 ] - [ 0.0003793700000000, 0.0005565400000000, 0.0009243400000000 ] - [ 0.0015251600000000, 0.0007681200000000, -0.0003886000000000 ] - [ -0.0001237500000000, 0.0002542600000000, -0.0000973300000000 ] - [ 0.0059309800000000, 0.0034841200000000, -0.0097423400000000 ] - [ -0.0001000300000000, 0.0004041500000000, -0.0008166400000000 ] - [ -0.0045687000000000, 0.0034832200000000, 0.0094360400000000 ] - [ -0.0001198800000000, 0.0004015600000000, 0.0004561600000000 ] - [ 0.0000408900000000, 0.0001770600000000, -0.0004981100000000 ] - [ -0.0008182400000000, 0.0008184000000000, -0.0017735600000000 ] - [ -0.0036848500000000, 0.0012884000000000, 0.0018341900000000 ] - [ 0.0002186600000000, 0.0004038500000000, 0.0005331200000000 ] - [ 0.0073395400000000, -0.0055113600000000, -0.0043115800000000 ] - [ -0.0003782000000000, 0.0001598200000000, 0.0005120200000000 ] - [ 0.0003861400000000, -0.0000877400000000, 0.0001943600000000 ] - [ -0.0004914700000000, 0.0002636900000000, 0.0002765600000000 ] - [ 0.0004346000000000, 0.0005074000000000, -0.0005947300000000 ] - [ 0.0023504800000000, 0.0008121000000000, 0.0001278300000000 ] - [ -0.0102362800000000, -0.0070459200000000, -0.0047105200000000 ] - [ 0.0006538900000000, 0.0002879700000000, -0.0004440100000000 ] - [ 0.0011128300000000, 0.0004807400000000, -0.0012491900000000 ] - [ -0.0004064700000000, 0.0000283800000000, -0.0003458000000000 ] - [ 0.0103439800000000, -0.0071455700000000, -0.0045069400000000 ] - [ -0.0068687200000000, -0.0004147900000000, -0.0009772100000000 ] - [ 0.0002286200000000, 0.0015572100000000, 0.0008570900000000 ] - [ -0.0001040000000000, 0.0001773600000000, -0.0002273400000000 ] - [ 0.0002834600000000, -0.0000494000000000, -0.0005933900000000 ] - [ -0.0001018500000000, 0.0000748800000000, -0.0008543800000000 ] - [ 0.0071481500000000, -0.0251738500000000, 0.0033639700000000 ] - [ -0.0000835600000000, -0.0002192900000000, 0.0006180400000000 ] - [ 0.0006876900000000, 0.0005002300000000, 0.0003594700000000 ] - [ -0.0002694000000000, 0.0002113000000000, 0.0004756300000000 ] - [ 0.0007535300000000, 0.0003061400000000, -0.0002960800000000 ] - [ -0.0002090000000000, 0.0000098700000000, 0.0000297400000000 ] - [ -0.0004333400000000, -0.0013752200000000, 0.0000451600000000 ] - [ 0.0005973100000000, -0.0013745800000000, -0.0006264200000000 ] - [ -0.0001598900000000, -0.0008026800000000, 0.0002806800000000 ] - [ -0.0000898000000000, -0.0002015900000000, -0.0001363300000000 ] - [ -0.0000395500000000, -0.0002015300000000, -0.0005087500000000 ] - [ -0.0004665200000000, -0.0008042700000000, -0.0008724700000000 ] - [ -0.0006152000000000, -0.0037876600000000, 0.0006061400000000 ] - [ 0.0002536900000000, -0.0003560900000000, 0.0003301100000000 ] - [ 0.0005632700000000, -0.0005396900000000, 0.0004847800000000 ] - [ -0.0001038700000000, -0.0006941400000000, 0.0007651600000000 ] - [ -0.0000153400000000, -0.0003309800000000, -0.0004274400000000 ] - [ 0.0002818400000000, -0.0002120000000000, -0.0000602200000000 ] - [ 0.0000532900000000, -0.0012803900000000, 0.0002834800000000 ] - [ 0.0003333200000000, -0.0005581900000000, -0.0001221500000000 ] - [ 0.0000338200000000, -0.0025048600000000, -0.0012753600000000 ] - [ 0.0002144400000000, -0.0005134500000000, 0.0000519700000000 ] - [ 0.0002143200000000, -0.0003414800000000, -0.0002354500000000 ] - [ -0.0000359500000000, -0.0007665100000000, -0.0005520500000000 ] - [ 0.0000207600000000, -0.0005798200000000, 0.0001540600000000 ] - [ 0.0000859400000000, -0.0020569300000000, 0.0021178900000000 ] - [ -0.0003614800000000, -0.0020581400000000, 0.0002437800000000 ] - [ -0.0001353500000000, -0.0005816000000000, 0.0000949200000000 ] - [ -0.0000897900000000, -0.0004349500000000, -0.0006212400000000 ] - [ -0.0001709500000000, -0.0004341100000000, 0.0001062100000000 ] - [ 0.0014919800000000, -0.0008398800000000, -0.0002990400000000 ] - [ 0.0004105600000000, -0.0030856400000000, -0.0019684900000000 ] - [ 0.0011790900000000, -0.0011897800000000, 0.0017690400000000 ] - [ 0.0000817500000000, -0.0003234600000000, 0.0006042600000000 ] - [ 0.0002096000000000, -0.0002768700000000, 0.0002420300000000 ] - [ 0.0002062600000000, -0.0004961000000000, -0.0000027200000000 ] - [ -0.0006191500000000, -0.0014592700000000, -0.0015624500000000 ] - [ -0.0001451200000000, -0.0002549800000000, -0.0006632700000000 ] - [ -0.0021773100000000, -0.0033152900000000, 0.0022693600000000 ] - [ 0.0001966900000000, -0.0006874600000000, 0.0003978400000000 ] - [ 0.0000450900000000, -0.0001794900000000, -0.0004449200000000 ] - [ -0.0002419500000000, -0.0003031800000000, -0.0003888400000000 ] - [ 0.0046943200000000, -0.0168251600000000, 0.0022603500000000 ] - [ 0.0000649500000000, 0.0001176300000000, -0.0002896200000000 ] - [ 0.0014123800000000, -0.0005473800000000, -0.0009145200000000 ] - [ -0.0012827900000000, -0.0005342100000000, -0.0011492300000000 ] - [ -0.0004166700000000, 0.0001356400000000, -0.0002538200000000 ] - [ 0.0004144600000000, -0.0004592900000000, -0.0007431400000000 ] - [ -0.0016161400000000, -0.0005058000000000, 0.0008861700000000 ] - [ 0.0026041500000000, 0.0004649100000000, 0.0007972300000000 ] - [ -0.0009218500000000, -0.0016959600000000, -0.0008972900000000 ] - [ 0.0001803200000000, 0.0001695100000000, 0.0003237700000000 ] - [ 0.0003475200000000, 0.0001336800000000, 0.0001560300000000 ] - [ -0.0010340300000000, -0.0022876800000000, 0.0017825700000000 ] - [ 0.0074399800000000, -0.0090729200000000, 0.0013234200000000 ] - [ -0.0027885500000000, -0.0013769300000000, -0.0006677000000000 ] - [ -0.0001212600000000, 0.0000811300000000, -0.0002860600000000 ] - [ 0.0025520900000000, -0.0017681400000000, -0.0022705700000000 ] - [ 0.0003273400000000, 0.0005223500000000, 0.0028999400000000 ] - [ 0.0000437600000000, -0.0002394300000000, 0.0007891400000000 ] - [ 0.0008071000000000, -0.0140833700000000, 0.0084812300000000 ] - [ -0.0002722400000000, -0.0005284600000000, 0.0002521800000000 ] - [ -0.0041414400000000, -0.0034643300000000, 0.0003168700000000 ] - [ 0.0033687500000000, -0.0038099400000000, -0.0003708800000000 ] - [ 0.0001252500000000, -0.0006910600000000, 0.0002701900000000 ] - [ 0.0000011100000000, 0.0009532800000000, 0.0039779600000000 ] - [ 0.0030672100000000, 0.0047173000000000, -0.0021803800000000 ] - [ -0.0012130700000000, 0.0005681500000000, -0.0001788800000000 ] - [ -0.0010506800000000, 0.0030472500000000, 0.0026578100000000 ] - [ 0.0005048900000000, 0.0005510900000000, -0.0001511300000000 ] - [ 0.0000050800000000, 0.0002832200000000, 0.0003342700000000 ] - [ -0.0001395300000000, 0.0004906900000000, -0.0005345900000000 ] - [ -0.0004295100000000, 0.0027476600000000, 0.0022851200000000 ] - [ 0.0002102700000000, 0.0017174000000000, 0.0006084000000000 ] - [ 0.0009108100000000, 0.0048434100000000, -0.0042974700000000 ] - [ -0.0002229800000000, 0.0004147500000000, -0.0003746300000000 ] - [ -0.0001867300000000, 0.0001257600000000, 0.0002478500000000 ] - [ 0.0002746500000000, 0.0003642400000000, 0.0002885500000000 ] - [ -0.0242910200000000, -0.0015640100000000, 0.0054529500000000 ] - [ 0.0021400400000000, -0.0018740300000000, -0.0007400300000000 ] - [ -0.0045233200000000, -0.0017427200000000, -0.0037269900000000 ] - [ 0.0002385500000000, 0.0001477100000000, -0.0004635400000000 ] - [ -0.0010846900000000, 0.0000476700000000, 0.0009378800000000 ] - [ -0.0000621400000000, 0.0002769600000000, 0.0036550800000000 ] - [ -0.0000863200000000, -0.0053631500000000, 0.0003848000000000 ] - [ -0.0010609800000000, -0.0036009400000000, 0.0006003300000000 ] - [ -0.0061867300000000, -0.0548645500000000, -0.0401764700000000 ] - [ -0.0000490600000000, -0.0014790100000000, -0.0005210400000000 ] - [ -0.0015093000000000, -0.0012539100000000, 0.0006625000000000 ] - [ 0.0007496900000000, -0.0010370700000000, -0.0003555800000000 ] - [ -0.0069979700000000, 0.0085041100000000, -0.0002223400000000 ] - [ 0.0005464200000000, 0.0015162200000000, -0.0003589200000000 ] - [ -0.0009117200000000, 0.0013060500000000, 0.0001808500000000 ] - [ 0.0015645000000000, 0.0040135100000000, 0.0013771500000000 ] - [ 0.0012409700000000, 0.0018792900000000, -0.0003492100000000 ] - [ -0.0006761800000000, 0.0009015600000000, 0.0006584000000000 ] - [ 0.0005851800000000, 0.0049662900000000, 0.0017212300000000 ] - [ -0.0007596200000000, 0.0007711700000000, 0.0003467300000000 ] - [ 0.0009800200000000, 0.0027455300000000, -0.0004257600000000 ] - [ -0.0003248700000000, 0.0023699700000000, -0.0015992400000000 ] - [ -0.0001657100000000, 0.0000545300000000, 0.0003947400000000 ] - [ -0.0000989300000000, 0.0003066300000000, 0.0002695400000000 ]- atom: 1 displacement: [ -0.0066287943301843, 0.0000000000000000, 0.0074872615640244 ] forces: - [ 0.0356417000000000, -0.0229503300000000, -0.1467243900000000 ] - [ -0.0010059500000000, -0.0001457500000000, -0.0006405700000000 ] - [ -0.0021484000000000, 0.0012313800000000, 0.0029174600000000 ] - [ 0.0006147600000000, 0.0004281400000000, 0.0009673400000000 ] - [ -0.0020427700000000, -0.0003027000000000, 0.0029909200000000 ] - [ 0.0009157800000000, -0.0003473900000000, 0.0012410100000000 ] - [ -0.0017925200000000, -0.0008935500000000, -0.0019819900000000 ] - [ -0.0018981200000000, 0.0003264100000000, -0.0034846200000000 ] - [ 0.0018833200000000, -0.0095286700000000, 0.0142282400000000 ] - [ -0.0004001600000000, 0.0001624200000000, 0.0006208900000000 ] - [ -0.0006907600000000, -0.0004591900000000, 0.0018497400000000 ] - [ 0.0011738800000000, 0.0010817400000000, 0.0058904100000000 ] - [ -0.0011127900000000, 0.0002928700000000, 0.0009355600000000 ] - [ 0.0066130800000000, 0.0028725800000000, 0.0044640600000000 ] - [ 0.0027191700000000, -0.0034292100000000, -0.0109370000000000 ] - [ -0.0011066300000000, -0.0006069400000000, -0.0006520800000000 ] - [ -0.0008899100000000, 0.0011358100000000, 0.0040713800000000 ] - [ -0.0000199600000000, -0.0001743000000000, 0.0018543900000000 ] - [ -0.0206425900000000, 0.0098735800000000, 0.0210220000000000 ] - [ -0.0003478700000000, 0.0002518600000000, -0.0004700500000000 ] - [ -0.0178390100000000, -0.0115160000000000, 0.0241962200000000 ] - [ -0.0003647800000000, -0.0007075700000000, -0.0004852600000000 ] - [ -0.0011566000000000, -0.0005665200000000, 0.0016187400000000 ] - [ 0.0015073200000000, -0.0009573700000000, 0.0025813700000000 ] - [ -0.0046236100000000, -0.0028537400000000, 0.0001455100000000 ] - [ 0.0004012700000000, -0.0003875400000000, 0.0000070400000000 ] - [ -0.0109990900000000, 0.0099189100000000, 0.0052632900000000 ] - [ -0.0000444000000000, 0.0001312200000000, 0.0003865900000000 ] - [ -0.0017205100000000, 0.0007299800000000, 0.0012094200000000 ] - [ 0.0018982100000000, -0.0005851700000000, 0.0009728400000000 ] - [ -0.0030801200000000, -0.0018504300000000, 0.0004599000000000 ] - [ 0.0049591300000000, -0.0005265300000000, -0.0005949600000000 ] - [ 0.0152778300000000, 0.0080247200000000, -0.0086171000000000 ] - [ -0.0016838300000000, -0.0000389400000000, -0.0005383400000000 ] - [ -0.0010006800000000, 0.0000256700000000, 0.0007365500000000 ] - [ -0.0002884200000000, -0.0003193000000000, 0.0003240300000000 ] - [ -0.0102532700000000, 0.0072274500000000, 0.0028035500000000 ] - [ -0.0017510700000000, -0.0001263600000000, -0.0008240700000000 ] - [ 0.0029468300000000, -0.0035839200000000, -0.0012248300000000 ] - [ -0.0008236800000000, 0.0001213500000000, -0.0002211300000000 ] - [ -0.0013992400000000, 0.0005987900000000, 0.0003562400000000 ] - [ 0.0007345400000000, 0.0006809500000000, 0.0001826700000000 ] - [ 0.0058200200000000, 0.0071658800000000, -0.0047500800000000 ] - [ -0.0012991700000000, -0.0002791600000000, 0.0003571300000000 ] - [ -0.0032489400000000, -0.0024953100000000, 0.0017044500000000 ] - [ 0.0007767400000000, 0.0000056100000000, 0.0004538800000000 ] - [ -0.0017894100000000, -0.0000181800000000, 0.0012766700000000 ] - [ 0.0014065600000000, 0.0008681300000000, 0.0004024500000000 ] - [ -0.0001215200000000, 0.0010350900000000, -0.0008160400000000 ] - [ -0.0001366500000000, -0.0001541800000000, -0.0008374200000000 ] - [ 0.0001605900000000, 0.0005048000000000, 0.0000074800000000 ] - [ -0.0005511700000000, 0.0005204600000000, 0.0005279900000000 ] - [ -0.0004613600000000, 0.0002084200000000, 0.0006065400000000 ] - [ 0.0003809000000000, -0.0001416500000000, 0.0002104500000000 ] - [ 0.0005352800000000, 0.0010315500000000, -0.0010558400000000 ] - [ -0.0001540600000000, 0.0002373000000000, -0.0002100700000000 ] - [ -0.0003150800000000, 0.0001566600000000, 0.0000587000000000 ] - [ 0.0006126300000000, 0.0008023600000000, -0.0002242600000000 ] - [ -0.0003704700000000, -0.0001445400000000, 0.0010540400000000 ] - [ 0.0004004300000000, -0.0000610600000000, 0.0006835900000000 ] - [ 0.0002005900000000, -0.0003450600000000, -0.0008977300000000 ] - [ -0.0000548100000000, 0.0001429300000000, 0.0002860300000000 ] - [ 0.0001725200000000, 0.0008044100000000, -0.0013017300000000 ] - [ -0.0000169400000000, -0.0000648500000000, -0.0001498400000000 ] - [ -0.0003078200000000, 0.0001514400000000, 0.0009544600000000 ] - [ 0.0007410800000000, 0.0002217500000000, 0.0012344300000000 ] - [ -0.0006063900000000, -0.0000048800000000, -0.0003199700000000 ] - [ 0.0003200900000000, 0.0002535000000000, -0.0008732700000000 ] - [ 0.0003188300000000, 0.0013652400000000, -0.0008863800000000 ] - [ -0.0005728500000000, -0.0000623600000000, -0.0002966800000000 ] - [ -0.0001162500000000, 0.0000266300000000, 0.0011979600000000 ] - [ -0.0001327100000000, -0.0005738500000000, 0.0011786100000000 ] - [ -0.0018810100000000, 0.0008264100000000, 0.0009554000000000 ] - [ 0.0015827800000000, -0.0006662100000000, -0.0004951700000000 ] - [ 0.0004831400000000, 0.0004564000000000, -0.0009335700000000 ] - [ -0.0007195800000000, -0.0001755600000000, 0.0001670500000000 ] - [ 0.0004032600000000, -0.0005986000000000, 0.0010841700000000 ] - [ -0.0004969700000000, 0.0009501700000000, 0.0012573700000000 ] - [ 0.0013302000000000, 0.0020359600000000, -0.0002005400000000 ] - [ -0.0005129500000000, -0.0004365900000000, -0.0002492700000000 ] - [ 0.0000530600000000, -0.0012438200000000, -0.0008700700000000 ] - [ -0.0004285800000000, 0.0006188300000000, -0.0011819300000000 ] - [ -0.0012471400000000, -0.0005095900000000, 0.0003009900000000 ] - [ 0.0009205500000000, 0.0000944700000000, 0.0001326300000000 ] - [ 0.0023381300000000, -0.0029270100000000, -0.0048880300000000 ] - [ -0.0005620200000000, 0.0000787300000000, -0.0006252000000000 ] - [ -0.0023097000000000, 0.0014129800000000, 0.0005268600000000 ] - [ 0.0015143700000000, 0.0002324400000000, 0.0004305900000000 ] - [ -0.0009856600000000, 0.0000060800000000, 0.0004444800000000 ] - [ 0.0002884300000000, 0.0005668300000000, 0.0004434700000000 ] - [ 0.0007566600000000, 0.0001141400000000, -0.0007796800000000 ] - [ 0.0000254000000000, 0.0015602000000000, -0.0014925500000000 ] - [ 0.0021272200000000, 0.0020860400000000, 0.0014421800000000 ] - [ -0.0008037700000000, -0.0003846700000000, 0.0007952100000000 ] - [ -0.0006471200000000, -0.0000379100000000, 0.0008780400000000 ] - [ -0.0015390500000000, -0.0060740900000000, 0.0044925400000000 ] - [ -0.0122987300000000, -0.0045550300000000, 0.0088659600000000 ] - [ 0.0040351200000000, 0.0007926400000000, 0.0012043200000000 ] - [ 0.0027152800000000, 0.0001793600000000, -0.0007903100000000 ] - [ -0.0052798800000000, 0.0017974400000000, 0.0007765300000000 ] - [ -0.0000989900000000, -0.0033079300000000, -0.0058122600000000 ] - [ -0.0002801000000000, 0.0011400400000000, -0.0018674400000000 ] - [ -0.0066097400000000, 0.0021759000000000, 0.0104953600000000 ] - [ 0.0015476900000000, -0.0004943500000000, -0.0003336200000000 ] - [ 0.0080319200000000, -0.0011649600000000, 0.0011221800000000 ] - [ -0.0031273900000000, 0.0035150600000000, 0.0014859500000000 ] - [ 0.0012096100000000, 0.0004667300000000, -0.0019836100000000 ] - [ -0.0018961700000000, -0.0023012000000000, -0.0053135600000000 ] - [ -0.0004576500000000, -0.0014234300000000, 0.0052558400000000 ] - [ 0.0007844400000000, 0.0001225800000000, 0.0005558900000000 ] - [ 0.0009793800000000, -0.0040101100000000, -0.0031656000000000 ] - [ -0.0002824700000000, -0.0003376200000000, -0.0007568100000000 ] - [ 0.0012345000000000, 0.0005518000000000, -0.0013227400000000 ] - [ -0.0019422500000000, 0.0011209000000000, -0.0008751000000000 ] - [ 0.0008387400000000, -0.0026227200000000, -0.0017541300000000 ] - [ -0.0004713100000000, -0.0005247700000000, 0.0005428400000000 ] - [ -0.0015496900000000, -0.0009598600000000, 0.0034759200000000 ] - [ 0.0010132500000000, -0.0000599000000000, 0.0000126500000000 ] - [ 0.0008585200000000, 0.0005668000000000, -0.0016986300000000 ] - [ -0.0010078600000000, -0.0003168400000000, -0.0008936900000000 ] - [ 0.0164681800000000, -0.0182858100000000, 0.0120882600000000 ] - [ 0.0019412500000000, 0.0008936300000000, 0.0009141500000000 ] - [ 0.0020606000000000, 0.0076797800000000, -0.0108092500000000 ] - [ 0.0003174600000000, 0.0000581300000000, -0.0008933600000000 ] - [ 0.0037109300000000, 0.0003648400000000, -0.0026664300000000 ] - [ -0.0025245300000000, -0.0010376500000000, -0.0041365900000000 ] - [ 0.0094406200000000, 0.0032803900000000, -0.0019658700000000 ] - [ -0.0038375500000000, -0.0017184400000000, 0.0031120600000000 ] - [ -0.0070290700000000, 0.0338522200000000, 0.0772063500000000 ] - [ 0.0015658900000000, 0.0000667400000000, 0.0000576300000000 ] - [ 0.0034451500000000, -0.0013838900000000, -0.0037757000000000 ] - [ -0.0015143100000000, 0.0009000900000000, -0.0043661000000000 ] - [ -0.0024404200000000, -0.0010205200000000, 0.0043969200000000 ] - [ 0.0004243300000000, 0.0002754700000000, 0.0008425300000000 ] - [ 0.0023886100000000, -0.0005552100000000, -0.0009102400000000 ] - [ -0.0028225000000000, -0.0028588900000000, -0.0014795000000000 ] - [ 0.0023662200000000, 0.0031372600000000, -0.0016434500000000 ] - [ 0.0004771800000000, 0.0004780200000000, -0.0013082600000000 ] - [ -0.0026766300000000, -0.0022715500000000, 0.0006317100000000 ] - [ 0.0016765400000000, -0.0011321200000000, -0.0003909500000000 ] - [ 0.0010514000000000, 0.0004346900000000, 0.0009003200000000 ] - [ -0.0006184400000000, -0.0023102100000000, 0.0020337000000000 ] - [ 0.0017284200000000, -0.0004967400000000, -0.0016925000000000 ] - [ -0.0009859300000000, -0.0001019100000000, -0.0014828100000000 ]- atom: 1 displacement: [ 0.0066287943301843, 0.0000000000000000, -0.0074872615640244 ] forces: - [ -0.0367306400000000, 0.0219319500000000, 0.1452380700000000 ] - [ 0.0007185900000000, 0.0003848200000000, 0.0005071000000000 ] - [ 0.0018529100000000, -0.0009850100000000, -0.0030492900000000 ] - [ -0.0009092300000000, -0.0001918700000000, -0.0011071700000000 ] - [ 0.0017585500000000, 0.0005454900000000, -0.0031504600000000 ] - [ -0.0012021800000000, 0.0005931400000000, -0.0013579900000000 ] - [ 0.0020825900000000, 0.0011231200000000, 0.0021357500000000 ] - [ 0.0022198100000000, -0.0000941200000000, 0.0036263900000000 ] - [ -0.0015974300000000, 0.0097541300000000, -0.0140427000000000 ] - [ 0.0006924200000000, 0.0000763500000000, -0.0004886500000000 ] - [ 0.0009850000000000, 0.0006979300000000, -0.0017059900000000 ] - [ -0.0008887300000000, -0.0008398300000000, -0.0057873700000000 ] - [ 0.0014109500000000, -0.0005407600000000, -0.0008026800000000 ] - [ -0.0063184900000000, -0.0031012800000000, -0.0042442900000000 ] - [ -0.0025757900000000, 0.0032178000000000, 0.0109943800000000 ] - [ 0.0013987000000000, 0.0003624000000000, 0.0007741600000000 ] - [ 0.0011811100000000, -0.0013725900000000, -0.0039274800000000 ] - [ 0.0003082900000000, -0.0000678600000000, -0.0017304600000000 ] - [ 0.0207052400000000, -0.0103142500000000, -0.0215710800000000 ] - [ 0.0000639400000000, -0.0004949200000000, 0.0003417500000000 ] - [ 0.0172217000000000, 0.0110824200000000, -0.0239697900000000 ] - [ 0.0000697700000000, 0.0004641600000000, 0.0003476800000000 ] - [ 0.0008662700000000, 0.0003233700000000, -0.0017586700000000 ] - [ -0.0017953600000000, 0.0007056900000000, -0.0027006800000000 ] - [ 0.0047788700000000, 0.0027459600000000, 0.0005747400000000 ] - [ -0.0002821500000000, 0.0002693800000000, 0.0007257300000000 ] - [ 0.0110423800000000, -0.0099538400000000, -0.0044744700000000 ] - [ 0.0001549200000000, -0.0002454600000000, 0.0003433800000000 ] - [ 0.0018248100000000, -0.0008366000000000, -0.0004762900000000 ] - [ -0.0017762200000000, 0.0004618200000000, -0.0002428500000000 ] - [ 0.0029990300000000, 0.0017547600000000, -0.0011974700000000 ] - [ -0.0051063500000000, 0.0003999900000000, -0.0001160100000000 ] - [ -0.0152978300000000, -0.0081049500000000, 0.0077636500000000 ] - [ 0.0015704700000000, -0.0000771100000000, -0.0001949500000000 ] - [ 0.0008921600000000, -0.0001378100000000, -0.0014687400000000 ] - [ 0.0001720300000000, 0.0002028700000000, -0.0010568000000000 ] - [ 0.0101723800000000, -0.0071260600000000, -0.0035555300000000 ] - [ 0.0016745700000000, 0.0002511800000000, 0.0000981800000000 ] - [ -0.0030398500000000, 0.0036860800000000, 0.0004832600000000 ] - [ 0.0007110800000000, -0.0000072700000000, -0.0005124800000000 ] - [ 0.0012968800000000, -0.0004896600000000, -0.0010885400000000 ] - [ -0.0008636800000000, -0.0005605700000000, -0.0009092000000000 ] - [ -0.0058065400000000, -0.0069082100000000, 0.0055026000000000 ] - [ 0.0014126900000000, 0.0003941200000000, 0.0003732300000000 ] - [ 0.0033443700000000, 0.0025931900000000, -0.0009661500000000 ] - [ -0.0006536300000000, 0.0001211200000000, 0.0002706800000000 ] - [ 0.0019169100000000, 0.0001354200000000, -0.0005490300000000 ] - [ -0.0012854300000000, -0.0007475300000000, 0.0003303000000000 ] - [ -0.0001708700000000, -0.0007881600000000, 0.0006889700000000 ] - [ -0.0001485800000000, 0.0003939100000000, 0.0007023400000000 ] - [ -0.0004518600000000, -0.0002609500000000, -0.0001464900000000 ] - [ 0.0002611500000000, -0.0002788300000000, -0.0006670700000000 ] - [ 0.0001715800000000, 0.0000336200000000, -0.0007423100000000 ] - [ -0.0006746600000000, 0.0003910500000000, -0.0003374900000000 ] - [ -0.0002496500000000, -0.0007878800000000, 0.0011859600000000 ] - [ 0.0004489100000000, -0.0000013500000000, 0.0003597200000000 ] - [ 0.0006065000000000, 0.0000893100000000, 0.0000625100000000 ] - [ -0.0003210200000000, -0.0005609200000000, 0.0003670400000000 ] - [ 0.0006624600000000, 0.0003877600000000, -0.0009119500000000 ] - [ -0.0001058200000000, 0.0003043800000000, -0.0005450600000000 ] - [ 0.0000839800000000, 0.0001091500000000, 0.0010337600000000 ] - [ 0.0003516900000000, -0.0003840600000000, -0.0001484100000000 ] - [ 0.0001188200000000, -0.0010490000000000, 0.0014081800000000 ] - [ 0.0003068800000000, -0.0001762200000000, 0.0002792300000000 ] - [ 0.0006002900000000, -0.0003925300000000, -0.0008235000000000 ] - [ -0.0004484000000000, -0.0004627200000000, -0.0010981200000000 ] - [ 0.0003124900000000, -0.0002313700000000, 0.0001808000000000 ] - [ -0.0006049300000000, -0.0005004600000000, 0.0007592100000000 ] - [ -0.0006122600000000, -0.0016004100000000, 0.0007418400000000 ] - [ 0.0002833200000000, -0.0001749600000000, 0.0001500600000000 ] - [ -0.0001752700000000, -0.0002693900000000, -0.0013245900000000 ] - [ -0.0001600300000000, 0.0003349900000000, -0.0013187200000000 ] - [ 0.0020032600000000, -0.0009460600000000, -0.0002250900000000 ] - [ -0.0014839800000000, 0.0005703700000000, 0.0012411700000000 ] - [ -0.0003723100000000, -0.0005679800000000, 0.0016575200000000 ] - [ 0.0008352900000000, 0.0000591000000000, 0.0005583700000000 ] - [ -0.0002751800000000, 0.0004730800000000, -0.0003549000000000 ] - [ 0.0006064300000000, -0.0010698200000000, -0.0005284800000000 ] - [ -0.0014640300000000, -0.0021686100000000, -0.0005178800000000 ] - [ 0.0003917200000000, 0.0003119100000000, -0.0004738100000000 ] - [ -0.0001632000000000, 0.0011417300000000, 0.0001217800000000 ] - [ 0.0003158300000000, -0.0007319500000000, 0.0004487900000000 ] - [ 0.0011365000000000, 0.0003930700000000, -0.0010341300000000 ] - [ -0.0010310600000000, -0.0002068200000000, -0.0008631500000000 ] - [ -0.0024476000000000, 0.0029372300000000, 0.0041862400000000 ] - [ 0.0004626600000000, 0.0000325000000000, -0.0001070900000000 ] - [ 0.0021934500000000, -0.0012943800000000, -0.0012595800000000 ] - [ -0.0016189400000000, -0.0001204500000000, -0.0011665500000000 ] - [ 0.0008876500000000, 0.0001029500000000, -0.0011828800000000 ] - [ -0.0004110200000000, -0.0004427400000000, -0.0011676900000000 ] - [ -0.0006301900000000, 0.0000149900000000, 0.0015108100000000 ] - [ 0.0001009800000000, -0.0014408600000000, 0.0022168700000000 ] - [ -0.0020086400000000, -0.0019613100000000, -0.0007056800000000 ] - [ 0.0009239300000000, 0.0005074300000000, -0.0000685100000000 ] - [ 0.0007610500000000, 0.0001509200000000, -0.0001443800000000 ] - [ 0.0016669400000000, 0.0062364300000000, -0.0037918000000000 ] - [ 0.0120159300000000, 0.0044386500000000, -0.0089710200000000 ] - [ -0.0040360700000000, -0.0005651500000000, -0.0012118400000000 ] - [ -0.0027056000000000, 0.0000421800000000, 0.0007966900000000 ] - [ 0.0052657400000000, -0.0015777500000000, -0.0007527700000000 ] - [ 0.0001119200000000, 0.0035529200000000, 0.0058365700000000 ] - [ 0.0002705600000000, -0.0009166900000000, 0.0018569900000000 ] - [ 0.0065515400000000, -0.0019020000000000, -0.0114301700000000 ] - [ -0.0015602900000000, 0.0002762000000000, 0.0003273400000000 ] - [ -0.0080180000000000, 0.0009485900000000, -0.0010916900000000 ] - [ 0.0031316200000000, -0.0037110100000000, -0.0014947800000000 ] - [ -0.0012085400000000, -0.0006895600000000, 0.0019938100000000 ] - [ 0.0018929900000000, 0.0020772800000000, 0.0052977700000000 ] - [ 0.0004791100000000, 0.0016257300000000, -0.0052555000000000 ] - [ -0.0007950900000000, 0.0000975100000000, -0.0005564500000000 ] - [ -0.0009742100000000, 0.0042113800000000, 0.0031588500000000 ] - [ 0.0002824500000000, 0.0005579400000000, 0.0007585500000000 ] - [ -0.0012368000000000, -0.0003390500000000, 0.0013258500000000 ] - [ 0.0019479700000000, -0.0009053700000000, 0.0008652700000000 ] - [ -0.0008326200000000, 0.0023998700000000, 0.0017459900000000 ] - [ 0.0004631600000000, 0.0003000800000000, -0.0005511300000000 ] - [ 0.0015499600000000, 0.0007226200000000, -0.0034445600000000 ] - [ -0.0010143100000000, -0.0001627100000000, -0.0000090700000000 ] - [ -0.0008591900000000, -0.0007802900000000, 0.0016976400000000 ] - [ 0.0010098900000000, 0.0000934800000000, 0.0008924200000000 ] - [ -0.0160421500000000, 0.0190108700000000, -0.0122186500000000 ] - [ -0.0019646100000000, 0.0000295200000000, -0.0009057700000000 ] - [ -0.0020743400000000, -0.0067406500000000, 0.0107774000000000 ] - [ -0.0003231100000000, 0.0008588000000000, 0.0009078600000000 ] - [ -0.0037289100000000, 0.0005563300000000, 0.0026766100000000 ] - [ 0.0025353300000000, 0.0019521400000000, 0.0040945000000000 ] - [ -0.0095042600000000, -0.0042190900000000, 0.0019689800000000 ] - [ 0.0038267900000000, 0.0008237700000000, -0.0031580400000000 ] - [ 0.0078316300000000, -0.0333194900000000, -0.0745731200000000 ] - [ -0.0015672100000000, -0.0009821900000000, -0.0000546000000000 ] - [ -0.0034372200000000, 0.0004583900000000, 0.0037680000000000 ] - [ 0.0015127600000000, -0.0018173900000000, 0.0043892400000000 ] - [ 0.0023991300000000, 0.0019708800000000, -0.0043759700000000 ] - [ -0.0004394300000000, 0.0006360400000000, -0.0008362200000000 ] - [ -0.0023919800000000, 0.0014659200000000, 0.0009180500000000 ] - [ 0.0028103700000000, 0.0037655700000000, 0.0014906900000000 ] - [ -0.0023804400000000, -0.0022349300000000, 0.0016510300000000 ] - [ -0.0004702500000000, 0.0004375900000000, 0.0012958800000000 ] - [ 0.0027062300000000, 0.0013374000000000, -0.0006579400000000 ] - [ -0.0016766100000000, 0.0002260600000000, 0.0003761300000000 ] - [ -0.0010582400000000, -0.0013579100000000, -0.0008863100000000 ] - [ 0.0006231600000000, 0.0013876100000000, -0.0020421000000000 ] - [ -0.0017302500000000, -0.0004183500000000, 0.0016932700000000 ] - [ 0.0009774200000000, -0.0008085200000000, 0.0014827400000000 ]- atom: 25 displacement: [ 0.0099999799273570, 0.0000000000000000, 0.0000200362785128 ] forces: - [ -0.0000458200000000, 0.0038466300000000, -0.0062274600000000 ] - [ 0.0013791300000000, -0.0000405400000000, 0.0017487300000000 ] - [ 0.0005996500000000, -0.0002111200000000, -0.0017700500000000 ] - [ -0.0007615500000000, 0.0006727500000000, 0.0018376400000000 ] - [ -0.0063388600000000, -0.0071368600000000, -0.0203161800000000 ] - [ 0.0011009300000000, 0.0005495900000000, 0.0009036100000000 ] - [ -0.0005897000000000, -0.0100842500000000, 0.0199160800000000 ] - [ 0.0012812300000000, 0.0008297900000000, -0.0010943300000000 ] - [ 0.0000035200000000, 0.0012862100000000, -0.0013279400000000 ] - [ 0.0000631600000000, -0.0002268600000000, -0.0003138900000000 ] - [ 0.0019578900000000, 0.0006060700000000, -0.0023926400000000 ] - [ -0.0006072200000000, 0.0025253500000000, 0.0060801000000000 ] - [ 0.0106582200000000, -0.0105013600000000, -0.0042885900000000 ] - [ 0.0056108800000000, 0.0065942500000000, 0.0026368200000000 ] - [ -0.0027823700000000, -0.0004162500000000, 0.0014641900000000 ] - [ 0.0009639100000000, -0.0000740500000000, -0.0002335800000000 ] - [ 0.0011627600000000, -0.0004595900000000, -0.0008356700000000 ] - [ -0.0018744100000000, -0.0000791100000000, -0.0006637800000000 ] - [ -0.0087417200000000, 0.0069925800000000, 0.0000372800000000 ] - [ 0.0021832700000000, -0.0002574400000000, 0.0001915600000000 ] - [ 0.0007798200000000, 0.0005715200000000, -0.0017159200000000 ] - [ 0.0002640100000000, -0.0003879100000000, 0.0020940400000000 ] - [ 0.0010706200000000, 0.0005096400000000, -0.0033911600000000 ] - [ 0.0001146600000000, -0.0004503100000000, 0.0011152000000000 ] - [ -0.1970547500000000, 0.0915836900000000, 0.0217816800000000 ] - [ 0.0043105000000000, -0.0008674200000000, 0.0000396800000000 ] - [ 0.0011726000000000, -0.0000064300000000, -0.0009054700000000 ] - [ 0.0002860000000000, 0.0000426600000000, 0.0011447600000000 ] - [ 0.0011629800000000, -0.0000915300000000, -0.0009649300000000 ] - [ 0.0002956600000000, 0.0006118600000000, 0.0014219200000000 ] - [ 0.0236439500000000, 0.0098233800000000, -0.0071515500000000 ] - [ 0.0087576200000000, -0.0004890800000000, 0.0000749900000000 ] - [ -0.0014389600000000, 0.0015655300000000, -0.0037729700000000 ] - [ 0.0015605000000000, 0.0004866900000000, -0.0005897900000000 ] - [ 0.0017899600000000, 0.0008635500000000, -0.0011307900000000 ] - [ -0.0022224700000000, -0.0000546700000000, 0.0005469700000000 ] - [ -0.0026893000000000, -0.0009036100000000, -0.0001981100000000 ] - [ 0.0017060800000000, -0.0004992400000000, -0.0006541800000000 ] - [ 0.0001866200000000, -0.0001070400000000, -0.0005774500000000 ] - [ -0.0000376100000000, -0.0001760200000000, -0.0003625200000000 ] - [ 0.0035976500000000, -0.0023904500000000, -0.0016867900000000 ] - [ -0.0016423900000000, 0.0006889500000000, 0.0000728700000000 ] - [ -0.0020233600000000, -0.0007138900000000, 0.0006914400000000 ] - [ 0.0018218200000000, 0.0001464300000000, 0.0005162600000000 ] - [ 0.0010169000000000, 0.0002774700000000, -0.0001701300000000 ] - [ -0.0010040900000000, -0.0005066600000000, 0.0007762200000000 ] - [ -0.0020350100000000, -0.0030477400000000, 0.0007906600000000 ] - [ 0.0018234400000000, 0.0009240600000000, 0.0004341300000000 ] - [ -0.0023859700000000, -0.0002419400000000, -0.0000039700000000 ] - [ 0.0018101400000000, -0.0013054500000000, -0.0009160000000000 ] - [ -0.0000203600000000, -0.0000315100000000, -0.0006927400000000 ] - [ -0.0003707600000000, -0.0000270600000000, 0.0001966800000000 ] - [ 0.0005974000000000, 0.0000923500000000, -0.0004380900000000 ] - [ -0.0002453700000000, -0.0009956800000000, 0.0004112400000000 ] - [ 0.0002285500000000, -0.0019879600000000, 0.0002682300000000 ] - [ 0.0010722800000000, 0.0003692000000000, 0.0003958500000000 ] - [ 0.0007395100000000, 0.0002211800000000, -0.0009970600000000 ] - [ -0.0004469800000000, -0.0000645300000000, 0.0008395600000000 ] - [ -0.0016577200000000, -0.0004514500000000, 0.0003452000000000 ] - [ 0.0012092900000000, 0.0000400700000000, 0.0003999300000000 ] - [ -0.0017880000000000, -0.0049430300000000, 0.0015385500000000 ] - [ 0.0011443000000000, -0.0002368600000000, 0.0002686800000000 ] - [ 0.0003955900000000, -0.0015832900000000, -0.0027170500000000 ] - [ 0.0001867000000000, 0.0011027300000000, 0.0021889700000000 ] - [ 0.0000240500000000, 0.0002444100000000, -0.0012888700000000 ] - [ 0.0003164200000000, -0.0005970700000000, 0.0006773100000000 ] - [ -0.0003138700000000, 0.0024357500000000, -0.0002541700000000 ] - [ 0.0007043600000000, -0.0017862900000000, 0.0016048500000000 ] - [ -0.0008284400000000, -0.0012121600000000, -0.0028227900000000 ] - [ 0.0004270900000000, 0.0001714100000000, -0.0004922100000000 ] - [ 0.0003622700000000, 0.0000002200000000, -0.0007680100000000 ] - [ -0.0010381200000000, -0.0011030700000000, 0.0019119400000000 ] - [ 0.0004644600000000, -0.0015382100000000, 0.0004430100000000 ] - [ 0.0004777700000000, -0.0002832300000000, 0.0001371000000000 ] - [ -0.0008373600000000, -0.0000665500000000, 0.0005900400000000 ] - [ 0.0012899500000000, -0.0008382300000000, -0.0000414100000000 ] - [ 0.0012942600000000, -0.0005014200000000, 0.0000257300000000 ] - [ -0.0008404900000000, -0.0005191100000000, 0.0002600900000000 ] - [ -0.0019802400000000, -0.0016126800000000, 0.0002881900000000 ] - [ 0.0016791000000000, 0.0002175100000000, -0.0003925100000000 ] - [ 0.0004297700000000, -0.0000629800000000, -0.0006863100000000 ] - [ -0.0009983700000000, -0.0010880500000000, 0.0003138900000000 ] - [ -0.0006179000000000, -0.0008916700000000, -0.0006927600000000 ] - [ 0.0000866600000000, 0.0000186500000000, -0.0001637600000000 ] - [ 0.0180884800000000, -0.0110410500000000, -0.0108899500000000 ] - [ 0.0019291800000000, 0.0011280900000000, 0.0010980200000000 ] - [ 0.0009261300000000, -0.0000612400000000, -0.0010252400000000 ] - [ -0.0014473200000000, 0.0009330900000000, 0.0004557100000000 ] - [ -0.0068863800000000, 0.0059516700000000, -0.0024641200000000 ] - [ 0.0021853000000000, -0.0007436900000000, -0.0002712200000000 ] - [ 0.0035324500000000, 0.0071585700000000, 0.0083083300000000 ] - [ 0.0035386900000000, 0.0013370500000000, -0.0006861800000000 ] - [ 0.0001949200000000, -0.0002283700000000, 0.0000058100000000 ] - [ 0.0001892700000000, 0.0010588300000000, -0.0001023200000000 ] - [ 0.0035458500000000, 0.0019686200000000, -0.0009412700000000 ] - [ 0.0035845400000000, -0.0106759500000000, 0.0138897600000000 ] - [ -0.0010637500000000, -0.0018053200000000, 0.0015613700000000 ] - [ -0.0027485400000000, 0.0052012000000000, -0.0038406100000000 ] - [ -0.0005791600000000, 0.0012705500000000, 0.0015901900000000 ] - [ 0.0007342300000000, -0.0004523000000000, -0.0009105200000000 ] - [ 0.0067170300000000, 0.0025195500000000, -0.0011013300000000 ] - [ -0.0035822600000000, -0.0000798600000000, 0.0003984100000000 ] - [ 0.0121518300000000, -0.0011301500000000, -0.0010428700000000 ] - [ -0.0102848500000000, 0.0003928100000000, -0.0014091400000000 ] - [ -0.0021059200000000, -0.0010016200000000, 0.0019645700000000 ] - [ 0.0029327500000000, -0.0027410900000000, -0.0058615300000000 ] - [ 0.0019992300000000, -0.0041577300000000, 0.0046370300000000 ] - [ -0.0016179500000000, 0.0003690000000000, 0.0000902100000000 ] - [ 0.0101969400000000, 0.0087910600000000, 0.0090879400000000 ] - [ -0.0034587200000000, 0.0002831300000000, 0.0000863500000000 ] - [ -0.0009375900000000, -0.0001470400000000, 0.0021289500000000 ] - [ 0.0008553800000000, 0.0000614800000000, -0.0020093800000000 ] - [ -0.0000512200000000, -0.0052188600000000, 0.0061350000000000 ] - [ -0.0035358600000000, 0.0015600100000000, -0.0022006000000000 ] - [ 0.0034530700000000, 0.0014282100000000, -0.0004865500000000 ] - [ -0.0023135100000000, 0.0004653200000000, -0.0001043000000000 ] - [ 0.0006201300000000, 0.0014103100000000, 0.0008216100000000 ] - [ -0.0008316100000000, -0.0004407500000000, -0.0004715000000000 ] - [ -0.0008073200000000, 0.0006402300000000, 0.0017142700000000 ] - [ 0.0004828700000000, 0.0007202500000000, -0.0013500700000000 ] - [ 0.0102364700000000, 0.0015424800000000, 0.0009232700000000 ] - [ -0.0036031600000000, 0.0006263200000000, 0.0002166600000000 ] - [ -0.0017355100000000, 0.0000868000000000, 0.0019894100000000 ] - [ 0.0013474300000000, 0.0012998200000000, -0.0011428600000000 ] - [ -0.0045592600000000, 0.0082300300000000, 0.0092234900000000 ] - [ -0.0010474800000000, -0.0021724300000000, -0.0041634300000000 ] - [ 0.1278789700000000, -0.0924670000000000, -0.0237562400000000 ] - [ -0.0084571500000000, -0.0023978400000000, 0.0014292000000000 ] - [ -0.0001467600000000, -0.0023515900000000, 0.0061255200000000 ] - [ -0.0016056100000000, -0.0010771600000000, -0.0011317100000000 ] - [ -0.0035794200000000, -0.0012567100000000, 0.0035080800000000 ] - [ 0.0021947800000000, -0.0009817300000000, -0.0052939200000000 ] - [ -0.0096317000000000, 0.0073356300000000, 0.0031446600000000 ] - [ -0.0023063200000000, -0.0057118400000000, -0.0034696100000000 ] - [ -0.0011336900000000, 0.0000040300000000, 0.0012777900000000 ] - [ 0.0013264200000000, 0.0002501000000000, 0.0005284500000000 ] - [ 0.0135868200000000, 0.0075720900000000, -0.0109277300000000 ] - [ -0.0041489400000000, -0.0001920000000000, 0.0008208700000000 ] - [ 0.0007114400000000, 0.0025949200000000, -0.0007780000000000 ] - [ -0.0027940500000000, -0.0001541600000000, 0.0001301300000000 ] - [ -0.0023128100000000, 0.0006854900000000, 0.0019661700000000 ] - [ 0.0026554400000000, 0.0001512600000000, -0.0008587000000000 ] - [ 0.0018520300000000, 0.0009921900000000, -0.0000783500000000 ] - [ -0.0013405800000000, -0.0000959700000000, 0.0001936800000000 ]- atom: 25 displacement: [ -0.0099999799273570, 0.0000000000000000, -0.0000200362785128 ] forces: - [ -0.0002325200000000, -0.0036291700000000, 0.0061646400000000 ] - [ -0.0016732500000000, 0.0002844600000000, -0.0018684400000000 ] - [ -0.0008896700000000, 0.0004511900000000, 0.0016368600000000 ] - [ 0.0004698400000000, -0.0004320200000000, -0.0019835200000000 ] - [ 0.0059350200000000, 0.0073647800000000, 0.0199475000000000 ] - [ -0.0014007500000000, -0.0003095200000000, -0.0010482200000000 ] - [ 0.0008086200000000, 0.0103094600000000, -0.0196207500000000 ] - [ -0.0009937000000000, -0.0005940800000000, 0.0012478500000000 ] - [ 0.0002903800000000, -0.0010432900000000, 0.0014531000000000 ] - [ 0.0002263100000000, 0.0004679100000000, 0.0004442300000000 ] - [ -0.0016647500000000, -0.0003661100000000, 0.0025184200000000 ] - [ 0.0009099600000000, -0.0022916300000000, -0.0060213700000000 ] - [ -0.0103003900000000, 0.0102160100000000, 0.0044210100000000 ] - [ -0.0053965400000000, -0.0069399300000000, -0.0025328400000000 ] - [ 0.0030764700000000, 0.0001691500000000, -0.0013358100000000 ] - [ -0.0006753500000000, -0.0001674600000000, 0.0003696400000000 ] - [ -0.0008724300000000, 0.0002125800000000, 0.0009580100000000 ] - [ 0.0021638700000000, -0.0001695900000000, 0.0007794400000000 ] - [ 0.0085171500000000, -0.0070749800000000, -0.0001739500000000 ] - [ -0.0024774500000000, 0.0000039500000000, -0.0003176300000000 ] - [ -0.0010700800000000, -0.0008134700000000, 0.0015914700000000 ] - [ -0.0005561100000000, 0.0001473500000000, -0.0022288300000000 ] - [ -0.0013589500000000, -0.0007514800000000, 0.0032515600000000 ] - [ -0.0004078300000000, 0.0002140100000000, -0.0012643200000000 ] - [ 0.1942707000000000, -0.0859127400000000, -0.0192653300000000 ] - [ -0.0042231100000000, 0.0007720500000000, 0.0007026100000000 ] - [ -0.0010595800000000, -0.0001085700000000, 0.0016422100000000 ] - [ -0.0001967800000000, -0.0001426200000000, -0.0004145200000000 ] - [ -0.0010695700000000, -0.0000107200000000, 0.0016994200000000 ] - [ -0.0001814400000000, -0.0007242400000000, -0.0006936700000000 ] - [ -0.0234123600000000, -0.0098204400000000, 0.0063159200000000 ] - [ -0.0089448400000000, 0.0003922600000000, -0.0008095900000000 ] - [ 0.0013796600000000, -0.0016420700000000, 0.0029823200000000 ] - [ -0.0016767500000000, -0.0006021600000000, -0.0001413100000000 ] - [ -0.0018952800000000, -0.0009763700000000, 0.0003938900000000 ] - [ 0.0021292400000000, -0.0000435000000000, -0.0012816300000000 ] - [ 0.0025751700000000, 0.0010122000000000, -0.0005354600000000 ] - [ -0.0018221800000000, 0.0006148300000000, -0.0000768800000000 ] - [ -0.0002945100000000, 0.0002224700000000, -0.0001573500000000 ] - [ -0.0000705800000000, 0.0002863000000000, -0.0003722400000000 ] - [ -0.0036947900000000, 0.0024932200000000, 0.0009494100000000 ] - [ 0.0015478600000000, -0.0005918600000000, -0.0008083500000000 ] - [ 0.0021468200000000, 0.0008280600000000, 0.0000375800000000 ] - [ -0.0017285400000000, -0.0000418500000000, 0.0002221200000000 ] - [ -0.0009123100000000, -0.0001648400000000, 0.0009055300000000 ] - [ 0.0011202000000000, 0.0006234200000000, -0.0000481800000000 ] - [ 0.0021406800000000, 0.0031483900000000, -0.0000540600000000 ] - [ -0.0017258000000000, -0.0008229600000000, 0.0002997100000000 ] - [ 0.0020823600000000, 0.0004615500000000, -0.0001394700000000 ] - [ -0.0021126700000000, 0.0015558800000000, 0.0007891400000000 ] - [ -0.0002656400000000, 0.0002691500000000, 0.0005523700000000 ] - [ 0.0000757700000000, 0.0002699600000000, -0.0003235600000000 ] - [ -0.0008953600000000, 0.0001480700000000, 0.0003042700000000 ] - [ -0.0000315400000000, 0.0012396300000000, -0.0005335900000000 ] - [ 0.0000956200000000, 0.0022242600000000, -0.0001421000000000 ] - [ -0.0007941200000000, -0.0001421800000000, -0.0002444100000000 ] - [ -0.0004509900000000, 0.0000197600000000, 0.0011307700000000 ] - [ 0.0007395900000000, 0.0003040700000000, -0.0007075900000000 ] - [ 0.0019426200000000, 0.0006827700000000, -0.0002002700000000 ] - [ -0.0009137300000000, 0.0002024000000000, -0.0002690500000000 ] - [ 0.0021157200000000, 0.0046090900000000, -0.0013680300000000 ] - [ -0.0008540700000000, -0.0000019800000000, -0.0001305100000000 ] - [ -0.0000975100000000, 0.0013484600000000, 0.0028612200000000 ] - [ 0.0000963200000000, -0.0013577700000000, -0.0020802600000000 ] - [ 0.0002613600000000, -0.0004863900000000, 0.0014183900000000 ] - [ -0.0000208500000000, 0.0003497400000000, -0.0005606800000000 ] - [ 0.0000097900000000, -0.0026783200000000, 0.0001407600000000 ] - [ -0.0009901400000000, 0.0015604100000000, -0.0017500500000000 ] - [ 0.0005353900000000, 0.0009565300000000, 0.0026394600000000 ] - [ -0.0007227800000000, -0.0004133000000000, 0.0003599500000000 ] - [ -0.0006566300000000, -0.0002414000000000, 0.0006332100000000 ] - [ 0.0007577600000000, 0.0008521700000000, -0.0020343000000000 ] - [ -0.0003644000000000, 0.0014228500000000, 0.0002923800000000 ] - [ -0.0003538900000000, 0.0001542600000000, 0.0005961500000000 ] - [ 0.0009569600000000, -0.0000599400000000, 0.0001370100000000 ] - [ -0.0011901400000000, 0.0007267800000000, 0.0007769700000000 ] - [ -0.0011819600000000, 0.0003822200000000, 0.0007023000000000 ] - [ 0.0009494800000000, 0.0003979200000000, 0.0004727600000000 ] - [ 0.0018714400000000, 0.0014873100000000, -0.0010133400000000 ] - [ -0.0018037100000000, -0.0003434200000000, -0.0003336300000000 ] - [ -0.0005365800000000, -0.0000538200000000, -0.0000444400000000 ] - [ 0.0008844100000000, 0.0009664900000000, -0.0010473600000000 ] - [ 0.0005024600000000, 0.0007688100000000, -0.0000387700000000 ] - [ -0.0001884200000000, -0.0001328400000000, -0.0005730900000000 ] - [ -0.0183581400000000, 0.0112838700000000, 0.0103145500000000 ] - [ -0.0020585400000000, -0.0009911000000000, -0.0018154900000000 ] - [ -0.0010383500000000, 0.0001807100000000, 0.0002928600000000 ] - [ 0.0013426200000000, -0.0008169300000000, -0.0011973900000000 ] - [ 0.0067543600000000, -0.0058938600000000, 0.0018254600000000 ] - [ -0.0023025900000000, 0.0008673500000000, -0.0004640000000000 ] - [ -0.0035225700000000, -0.0070566000000000, -0.0075603900000000 ] - [ -0.0034490600000000, -0.0012314500000000, 0.0014277900000000 ] - [ -0.0000803100000000, 0.0003472100000000, 0.0007204700000000 ] - [ -0.0000825300000000, -0.0009372400000000, 0.0008375700000000 ] - [ -0.0034376500000000, -0.0018493600000000, 0.0016702900000000 ] - [ -0.0034489800000000, 0.0108907700000000, -0.0132886700000000 ] - [ 0.0010560800000000, 0.0020498500000000, -0.0015791900000000 ] - [ 0.0027550900000000, -0.0049734600000000, 0.0038362700000000 ] - [ 0.0005814200000000, -0.0010467500000000, -0.0015908300000000 ] - [ -0.0007351900000000, 0.0006791400000000, 0.0009256300000000 ] - [ -0.0067099000000000, -0.0022768400000000, 0.0010731400000000 ] - [ 0.0035872600000000, 0.0003089900000000, -0.0003946200000000 ] - [ -0.0139072200000000, 0.0001087700000000, 0.0007254900000000 ] - [ 0.0102531800000000, -0.0005993400000000, 0.0013886700000000 ] - [ 0.0021081300000000, 0.0007796300000000, -0.0019784800000000 ] - [ -0.0029106700000000, 0.0024820600000000, 0.0059032100000000 ] - [ -0.0019956400000000, 0.0038926200000000, -0.0046334000000000 ] - [ 0.0016199500000000, -0.0005964400000000, -0.0000755900000000 ] - [ -0.0103011900000000, -0.0084451500000000, -0.0089715300000000 ] - [ 0.0034755100000000, -0.0000709700000000, -0.0000949200000000 ] - [ 0.0009320700000000, 0.0003682400000000, -0.0021296500000000 ] - [ -0.0008520800000000, 0.0001463600000000, 0.0020123500000000 ] - [ 0.0001007900000000, 0.0054053600000000, -0.0061093500000000 ] - [ 0.0035231700000000, -0.0013537300000000, 0.0022168400000000 ] - [ -0.0034321100000000, -0.0016211500000000, 0.0004789700000000 ] - [ 0.0023150300000000, -0.0006861300000000, 0.0001024000000000 ] - [ -0.0006369000000000, -0.0016282100000000, -0.0008135700000000 ] - [ 0.0008453700000000, 0.0002307000000000, 0.0004691400000000 ] - [ 0.0008109900000000, -0.0008568600000000, -0.0017135000000000 ] - [ -0.0004917700000000, -0.0009264900000000, 0.0013554200000000 ] - [ -0.0102387000000000, -0.0006325900000000, -0.0008664800000000 ] - [ 0.0036244700000000, 0.0003024800000000, -0.0002318200000000 ] - [ 0.0017354000000000, 0.0008358000000000, -0.0019874700000000 ] - [ -0.0013535200000000, -0.0003758700000000, 0.0011567100000000 ] - [ 0.0045383800000000, -0.0072822600000000, -0.0092095300000000 ] - [ 0.0010482800000000, 0.0031281000000000, 0.0042153800000000 ] - [ -0.1230513800000000, 0.0862392800000000, 0.0223314100000000 ] - [ 0.0085225100000000, 0.0014901000000000, -0.0014492300000000 ] - [ 0.0000885600000000, 0.0013903600000000, -0.0061397800000000 ] - [ 0.0016248300000000, 0.0001432500000000, 0.0011248400000000 ] - [ 0.0035830900000000, 0.0003294900000000, -0.0035005800000000 ] - [ -0.0022100800000000, 0.0000334100000000, 0.0053420500000000 ] - [ 0.0096557600000000, -0.0064545600000000, -0.0031574700000000 ] - [ 0.0024069400000000, 0.0066714300000000, 0.0034396000000000 ] - [ 0.0011429300000000, 0.0009121600000000, -0.0012800200000000 ] - [ -0.0013380700000000, 0.0006634100000000, -0.0004899700000000 ] - [ -0.0137457100000000, -0.0065478900000000, 0.0107920700000000 ] - [ 0.0041573200000000, 0.0010973900000000, -0.0008211600000000 ] - [ -0.0007582900000000, -0.0034952700000000, 0.0007824800000000 ] - [ 0.0028200800000000, -0.0007456000000000, -0.0001503700000000 ] - [ 0.0023209200000000, -0.0016085900000000, -0.0019763900000000 ] - [ -0.0026556500000000, -0.0010448500000000, 0.0008739300000000 ] - [ -0.0018399700000000, -0.0018930200000000, 0.0000641400000000 ] - [ 0.0013305600000000, -0.0008152800000000, -0.0001811000000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0012721600000000, -0.0012272500000000, -0.0025734500000000 ] - [ -0.0012079900000000, -0.0003422000000000, -0.0014439100000000 ] - [ -0.0004595500000000, 0.0001534200000000, 0.0007084400000000 ] - [ -0.0000281600000000, -0.0002040000000000, -0.0006562700000000 ] - [ -0.0000894800000000, 0.0055687500000000, 0.0132283400000000 ] - [ -0.0003343600000000, -0.0000938500000000, 0.0000251800000000 ] - [ -0.0042293500000000, 0.0071034700000000, -0.0145570100000000 ] - [ 0.0000318400000000, -0.0002260500000000, -0.0000623800000000 ] - [ 0.0004509700000000, -0.0004161500000000, 0.0002234600000000 ] - [ 0.0001661500000000, 0.0000302500000000, 0.0004358600000000 ] - [ -0.0008867800000000, -0.0004423700000000, 0.0015598200000000 ] - [ 0.0012856700000000, -0.0007456200000000, 0.0016984800000000 ] - [ -0.0071799600000000, 0.0070462800000000, 0.0031824900000000 ] - [ 0.0007200700000000, 0.0003663300000000, 0.0003162200000000 ] - [ 0.0015053600000000, -0.0016059800000000, -0.0035880200000000 ] - [ -0.0000573600000000, -0.0002411100000000, -0.0000309100000000 ] - [ -0.0001918100000000, -0.0000199900000000, 0.0004839600000000 ] - [ 0.0009590200000000, -0.0001300700000000, 0.0016212600000000 ] - [ 0.0062848900000000, 0.0246495700000000, -0.0037093500000000 ] - [ -0.0010189500000000, 0.0001521600000000, -0.0003877000000000 ] - [ -0.0002810600000000, -0.0003632500000000, -0.0000827600000000 ] - [ -0.0007082500000000, -0.0000689500000000, -0.0016428300000000 ] - [ -0.0010325000000000, -0.0005634000000000, 0.0025522700000000 ] - [ -0.0000531300000000, -0.0002676800000000, 0.0000965200000000 ] - [ 0.0871800500000000, -0.1545474700000000, -0.0364516000000000 ] - [ -0.0007672600000000, -0.0005232000000000, 0.0000630500000000 ] - [ 0.0000092600000000, -0.0008350800000000, 0.0007112700000000 ] - [ 0.0007138000000000, -0.0012828100000000, 0.0002936900000000 ] - [ 0.0000984400000000, -0.0008344400000000, 0.0007883400000000 ] - [ 0.0001544700000000, -0.0012900400000000, -0.0001844800000000 ] - [ -0.0098532100000000, -0.0148340800000000, 0.0023362600000000 ] - [ 0.0003944600000000, -0.0019447200000000, -0.0001431700000000 ] - [ -0.0016643400000000, -0.0049354400000000, 0.0032496400000000 ] - [ -0.0005945300000000, -0.0005996300000000, -0.0002126100000000 ] - [ -0.0009720000000000, -0.0007636200000000, 0.0000815200000000 ] - [ -0.0000450300000000, -0.0014201800000000, -0.0006550700000000 ] - [ -0.0010132100000000, 0.0032133400000000, -0.0001701500000000 ] - [ -0.0006130100000000, 0.0006516600000000, -0.0001982900000000 ] - [ -0.0002209400000000, 0.0005542600000000, -0.0002621300000000 ] - [ -0.0002806500000000, 0.0006114000000000, -0.0002298300000000 ] - [ -0.0024926800000000, 0.0019584200000000, 0.0006197300000000 ] - [ 0.0005822300000000, 0.0008935500000000, -0.0002309800000000 ] - [ 0.0031541600000000, 0.0027836800000000, -0.0007209100000000 ] - [ -0.0008279900000000, 0.0005024900000000, 0.0000805700000000 ] - [ -0.0001728100000000, 0.0002264600000000, 0.0005565500000000 ] - [ 0.0006242100000000, 0.0008730600000000, 0.0001490900000000 ] - [ 0.0008316100000000, 0.0027846900000000, 0.0001179200000000 ] - [ -0.0000385200000000, 0.0005089400000000, 0.0002032600000000 ] - [ 0.0024958500000000, 0.0031559500000000, 0.0014518800000000 ] - [ -0.0010093400000000, 0.0008974200000000, 0.0003470400000000 ] - [ -0.0007028500000000, 0.0005612800000000, 0.0007982200000000 ] - [ 0.0003956700000000, 0.0003377300000000, -0.0003011600000000 ] - [ -0.0000548300000000, 0.0003859100000000, -0.0001509600000000 ] - [ -0.0013659500000000, 0.0012514700000000, -0.0004529000000000 ] - [ -0.0025124700000000, 0.0033812200000000, -0.0007009200000000 ] - [ 0.0005172000000000, 0.0007465500000000, -0.0004984900000000 ] - [ -0.0000599700000000, 0.0002419300000000, 0.0004864100000000 ] - [ 0.0004680700000000, 0.0003651800000000, 0.0001525700000000 ] - [ 0.0016804000000000, 0.0015186800000000, -0.0013971700000000 ] - [ -0.0005188900000000, 0.0003108700000000, -0.0000185300000000 ] - [ -0.0026321900000000, 0.0170219600000000, -0.0063559200000000 ] - [ -0.0001834800000000, -0.0001853000000000, -0.0001926100000000 ] - [ -0.0002724600000000, 0.0004792300000000, 0.0015059300000000 ] - [ 0.0007523600000000, 0.0004669100000000, 0.0008316800000000 ] - [ 0.0004872900000000, -0.0002054700000000, 0.0002963000000000 ] - [ -0.0001589000000000, 0.0003966000000000, 0.0004657700000000 ] - [ 0.0005467300000000, -0.0005331800000000, -0.0014668400000000 ] - [ -0.0009613600000000, 0.0004419200000000, -0.0008501400000000 ] - [ 0.0004430500000000, 0.0022258600000000, 0.0087372600000000 ] - [ -0.0001676100000000, -0.0001975100000000, 0.0000342700000000 ] - [ -0.0003734900000000, -0.0002306600000000, 0.0003319800000000 ] - [ -0.0000085000000000, 0.0016296700000000, -0.0026544500000000 ] - [ -0.0001631400000000, 0.0018279200000000, 0.0005300000000000 ] - [ -0.0014480100000000, 0.0018368600000000, 0.0011133400000000 ] - [ -0.0004022400000000, 0.0014882000000000, 0.0002593200000000 ] - [ -0.0003969500000000, 0.0005553000000000, 0.0005783700000000 ] - [ -0.0007290100000000, 0.0005505200000000, 0.0006997800000000 ] - [ 0.0000424600000000, 0.0014903800000000, 0.0009671400000000 ] - [ 0.0014927400000000, 0.0049528500000000, -0.0008095700000000 ] - [ -0.0003373300000000, 0.0003889100000000, -0.0006109900000000 ] - [ -0.0000500700000000, 0.0005421700000000, -0.0004810000000000 ] - [ 0.0009860600000000, 0.0017684200000000, -0.0011908400000000 ] - [ 0.0007811900000000, 0.0009994200000000, -0.0002947100000000 ] - [ -0.0001241400000000, 0.0004757600000000, -0.0004588600000000 ] - [ -0.0112255100000000, 0.0006033300000000, 0.0029864200000000 ] - [ 0.0010232300000000, -0.0019698500000000, -0.0018423400000000 ] - [ -0.0001700300000000, -0.0002352300000000, -0.0001899100000000 ] - [ 0.0008296800000000, -0.0011972900000000, -0.0006479500000000 ] - [ 0.0059079900000000, -0.0022819300000000, -0.0071652300000000 ] - [ -0.0008601000000000, -0.0000609100000000, -0.0002630200000000 ] - [ 0.0108297200000000, 0.0004706400000000, 0.0051727000000000 ] - [ -0.0018691100000000, -0.0011548800000000, 0.0008202100000000 ] - [ -0.0009568000000000, -0.0006359600000000, 0.0008922700000000 ] - [ 0.0003415200000000, -0.0006298000000000, 0.0004162000000000 ] - [ -0.0012357800000000, -0.0011503100000000, 0.0010447200000000 ] - [ -0.0070541600000000, 0.0004587600000000, -0.0058422400000000 ] - [ -0.0011422700000000, -0.0004268800000000, -0.0001188000000000 ] - [ 0.0032854500000000, -0.0040054900000000, 0.0029001400000000 ] - [ 0.0001256800000000, -0.0008132000000000, -0.0009284100000000 ] - [ -0.0002053700000000, -0.0007671500000000, 0.0009105400000000 ] - [ -0.0031804600000000, -0.0044605500000000, -0.0032634400000000 ] - [ 0.0015021000000000, -0.0001428800000000, -0.0002524800000000 ] - [ 0.0150866800000000, 0.0195786200000000, 0.0034823400000000 ] - [ 0.0049173600000000, 0.0008370000000000, 0.0012309900000000 ] - [ 0.0005279300000000, 0.0008547800000000, -0.0005812400000000 ] - [ -0.0005431000000000, 0.0053507400000000, 0.0031058300000000 ] - [ -0.0009707200000000, 0.0046739500000000, -0.0026577000000000 ] - [ 0.0005742600000000, 0.0004929800000000, -0.0004446800000000 ] - [ -0.0010589500000000, 0.0062829800000000, -0.0053926000000000 ] - [ 0.0006807000000000, 0.0003033000000000, 0.0002389300000000 ] - [ 0.0007431500000000, 0.0005288600000000, -0.0009880800000000 ] - [ -0.0007200700000000, 0.0011817800000000, 0.0007078200000000 ] - [ -0.0029328000000000, 0.0029779000000000, -0.0020935300000000 ] - [ 0.0029160800000000, 0.0004574400000000, 0.0004499800000000 ] - [ -0.0032726200000000, -0.0054518200000000, 0.0000528800000000 ] - [ 0.0012088200000000, -0.0008769200000000, 0.0002136000000000 ] - [ 0.0006018200000000, -0.0029409400000000, -0.0003043000000000 ] - [ -0.0003372000000000, -0.0009446900000000, 0.0001766300000000 ] - [ 0.0001270300000000, -0.0010352300000000, -0.0008625300000000 ] - [ 0.0002975000000000, -0.0020687300000000, 0.0004442100000000 ] - [ -0.0045588600000000, -0.0062914500000000, 0.0107065600000000 ] - [ 0.0011851700000000, -0.0000683900000000, 0.0003920500000000 ] - [ 0.0005545600000000, 0.0001190700000000, -0.0004980900000000 ] - [ -0.0003757700000000, -0.0008020800000000, 0.0001031900000000 ] - [ 0.0038865700000000, -0.0052468800000000, -0.0065237900000000 ] - [ -0.0004586400000000, -0.0003215700000000, -0.0003122400000000 ] - [ -0.0856032600000000, 0.0951257800000000, 0.0210767700000000 ] - [ 0.0006449200000000, 0.0003633300000000, 0.0002136500000000 ] - [ 0.0008720500000000, 0.0044487400000000, 0.0006159100000000 ] - [ 0.0002323900000000, 0.0012444500000000, 0.0007526600000000 ] - [ 0.0015716200000000, 0.0008341300000000, -0.0018700000000000 ] - [ -0.0006117700000000, 0.0024914000000000, -0.0000926000000000 ] - [ 0.0060609100000000, -0.0016617900000000, -0.0016016500000000 ] - [ -0.0064612200000000, -0.0006039700000000, 0.0030732800000000 ] - [ -0.0002150200000000, 0.0009190500000000, -0.0001993500000000 ] - [ 0.0000398000000000, 0.0025341200000000, -0.0033560100000000 ] - [ 0.0001414700000000, -0.0071690700000000, 0.0192545000000000 ] - [ 0.0014692700000000, 0.0012851500000000, -0.0003465700000000 ] - [ 0.0031060500000000, -0.0071939300000000, 0.0001034200000000 ] - [ 0.0003258200000000, -0.0022402200000000, 0.0007425500000000 ] - [ 0.0008456100000000, -0.0015902200000000, -0.0008180200000000 ] - [ -0.0014527700000000, -0.0043937000000000, -0.0010305100000000 ] - [ -0.0014936300000000, -0.0032411300000000, 0.0009464000000000 ] - [ 0.0009432000000000, -0.0015477800000000, -0.0006306800000000 ]- atom: 25 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0015589100000000, 0.0014808800000000, 0.0024043000000000 ] - [ 0.0009140800000000, 0.0005818000000000, 0.0013093800000000 ] - [ 0.0001686000000000, 0.0000868200000000, -0.0008392700000000 ] - [ -0.0002647300000000, 0.0004479600000000, 0.0005284800000000 ] - [ -0.0002048200000000, -0.0053291500000000, -0.0134025400000000 ] - [ 0.0000412300000000, 0.0003375400000000, -0.0001500600000000 ] - [ 0.0045468300000000, -0.0068767100000000, 0.0147422400000000 ] - [ 0.0002629500000000, 0.0004689300000000, 0.0001941300000000 ] - [ -0.0001610000000000, 0.0006623300000000, -0.0001011700000000 ] - [ 0.0001280700000000, 0.0002058500000000, -0.0002937400000000 ] - [ 0.0011791000000000, 0.0006792500000000, -0.0014193000000000 ] - [ -0.0009842500000000, 0.0010055600000000, -0.0015499800000000 ] - [ 0.0074545300000000, -0.0072831400000000, -0.0030315800000000 ] - [ -0.0004018800000000, -0.0005769800000000, -0.0001696900000000 ] - [ -0.0012114100000000, 0.0013769000000000, 0.0037260700000000 ] - [ 0.0003532700000000, -0.0000018900000000, 0.0001642000000000 ] - [ 0.0004842100000000, -0.0002287000000000, -0.0003606500000000 ] - [ -0.0006679000000000, -0.0001044500000000, -0.0014787600000000 ] - [ -0.0066986100000000, -0.0252723900000000, 0.0035805200000000 ] - [ 0.0007262800000000, -0.0003931300000000, 0.0002523400000000 ] - [ -0.0000106200000000, 0.0001245600000000, -0.0000541500000000 ] - [ 0.0004129600000000, -0.0001730900000000, 0.0015052400000000 ] - [ 0.0007381100000000, 0.0003193000000000, -0.0026826100000000 ] - [ -0.0002357600000000, 0.0000251800000000, -0.0002223700000000 ] - [ -0.0904492000000000, 0.1560473300000000, 0.0374757800000000 ] - [ 0.0008744000000000, 0.0004088000000000, 0.0006723100000000 ] - [ 0.0000982600000000, 0.0007191400000000, 0.0000209300000000 ] - [ -0.0006139300000000, 0.0011703000000000, 0.0004420900000000 ] - [ -0.0000002200000000, 0.0007242600000000, -0.0000520200000000 ] - [ -0.0000316100000000, 0.0011623800000000, 0.0009177600000000 ] - [ 0.0097998400000000, 0.0148819900000000, -0.0030854400000000 ] - [ -0.0004954700000000, 0.0018203100000000, -0.0005854100000000 ] - [ 0.0015528200000000, 0.0047872300000000, -0.0039946300000000 ] - [ 0.0004867100000000, 0.0004834300000000, -0.0005220600000000 ] - [ 0.0008660300000000, 0.0006470200000000, -0.0008161300000000 ] - [ -0.0000620000000000, 0.0013031800000000, -0.0000729700000000 ] - [ 0.0009010500000000, -0.0030788200000000, -0.0005605300000000 ] - [ 0.0004952900000000, -0.0005281600000000, -0.0005339500000000 ] - [ 0.0001042900000000, -0.0004277700000000, -0.0004676400000000 ] - [ 0.0001761100000000, -0.0004971400000000, -0.0005048100000000 ] - [ 0.0023891600000000, -0.0018440500000000, -0.0013545700000000 ] - [ -0.0006984200000000, -0.0007693300000000, -0.0005001200000000 ] - [ -0.0030435400000000, -0.0026596300000000, 0.0014539600000000 ] - [ 0.0009232200000000, -0.0003930900000000, 0.0006568400000000 ] - [ 0.0002740900000000, -0.0001137200000000, 0.0001812700000000 ] - [ -0.0004988600000000, -0.0007410400000000, 0.0005797200000000 ] - [ -0.0007079700000000, -0.0026529900000000, 0.0006092300000000 ] - [ 0.0001516600000000, -0.0003864400000000, 0.0005296400000000 ] - [ -0.0027644500000000, -0.0028933600000000, -0.0015649500000000 ] - [ 0.0007172200000000, -0.0006618300000000, -0.0004854400000000 ] - [ 0.0004047400000000, -0.0003189100000000, -0.0009227200000000 ] - [ -0.0006849900000000, -0.0000959800000000, 0.0001689500000000 ] - [ -0.0002388700000000, -0.0001481100000000, 0.0000057600000000 ] - [ 0.0010631500000000, -0.0010152300000000, 0.0003148400000000 ] - [ 0.0027807500000000, -0.0031173500000000, 0.0008136700000000 ] - [ -0.0002214300000000, -0.0005149600000000, 0.0006517600000000 ] - [ 0.0003516700000000, 0.0000005200000000, -0.0003545700000000 ] - [ -0.0001695200000000, -0.0001294700000000, -0.0000043800000000 ] - [ -0.0013829800000000, -0.0012837400000000, 0.0015206100000000 ] - [ 0.0008140800000000, -0.0000711100000000, 0.0001583700000000 ] - [ 0.0028701300000000, -0.0169624900000000, 0.0063657100000000 ] - [ 0.0004802000000000, -0.0000586400000000, 0.0003321700000000 ] - [ 0.0005610000000000, -0.0007296000000000, -0.0013805400000000 ] - [ -0.0004550700000000, -0.0007128800000000, -0.0007047300000000 ] - [ -0.0001938900000000, -0.0000386000000000, -0.0001701500000000 ] - [ 0.0004529600000000, -0.0006406100000000, -0.0003314800000000 ] - [ -0.0008322600000000, 0.0003007900000000, 0.0013244000000000 ] - [ 0.0006660800000000, -0.0006906200000000, 0.0007242800000000 ] - [ -0.0007295300000000, -0.0024409200000000, -0.0087611200000000 ] - [ -0.0001261400000000, -0.0000420600000000, -0.0001785100000000 ] - [ 0.0000761300000000, -0.0000134800000000, -0.0004623400000000 ] - [ -0.0002788100000000, -0.0018703000000000, 0.0025089700000000 ] - [ 0.0002808200000000, -0.0019362900000000, 0.0002033100000000 ] - [ 0.0015229200000000, -0.0019269800000000, -0.0003689000000000 ] - [ 0.0005170200000000, -0.0016015100000000, 0.0004745700000000 ] - [ 0.0004976700000000, -0.0006642500000000, 0.0001575500000000 ] - [ 0.0008427200000000, -0.0006688900000000, 0.0000324900000000 ] - [ 0.0000595800000000, -0.0015997500000000, -0.0002309500000000 ] - [ -0.0016144700000000, -0.0050582100000000, 0.0000734000000000 ] - [ 0.0002159900000000, -0.0005119100000000, -0.0001188400000000 ] - [ -0.0000665800000000, -0.0006584300000000, -0.0002502900000000 ] - [ -0.0010791700000000, -0.0018717500000000, 0.0004528300000000 ] - [ -0.0008827800000000, -0.0011117700000000, -0.0004404700000000 ] - [ 0.0000200400000000, -0.0005854000000000, -0.0002745100000000 ] - [ 0.0111066700000000, -0.0005564800000000, -0.0037383700000000 ] - [ -0.0011112200000000, 0.0020744900000000, 0.0011045500000000 ] - [ 0.0000659800000000, 0.0003472000000000, -0.0005466700000000 ] - [ -0.0009229900000000, 0.0012981100000000, -0.0000899900000000 ] - [ -0.0059700400000000, 0.0023034500000000, 0.0064336700000000 ] - [ 0.0007435800000000, 0.0001801900000000, -0.0004659500000000 ] - [ -0.0107158300000000, -0.0004223300000000, -0.0044445500000000 ] - [ 0.0019637400000000, 0.0012580600000000, -0.0000832000000000 ] - [ 0.0010500600000000, 0.0007396500000000, -0.0001553000000000 ] - [ -0.0002291300000000, 0.0007466800000000, 0.0003198900000000 ] - [ 0.0013362600000000, 0.0012561100000000, -0.0003075500000000 ] - [ 0.0071439900000000, -0.0004309300000000, 0.0066049700000000 ] - [ 0.0011416100000000, 0.0006331600000000, 0.0001169800000000 ] - [ -0.0032813600000000, 0.0042149700000000, -0.0028870000000000 ] - [ -0.0001253300000000, 0.0010298000000000, 0.0009260200000000 ] - [ 0.0002058100000000, 0.0009833100000000, -0.0009123700000000 ] - [ 0.0031790200000000, 0.0046626000000000, 0.0032687800000000 ] - [ -0.0015036500000000, 0.0003649000000000, 0.0002512500000000 ] - [ -0.0156669400000000, -0.0198588500000000, -0.0035726900000000 ] - [ -0.0049247600000000, -0.0010413400000000, -0.0012302700000000 ] - [ -0.0005298700000000, -0.0010731500000000, 0.0005811400000000 ] - [ 0.0005588900000000, -0.0055706200000000, -0.0030813500000000 ] - [ 0.0009790600000000, -0.0048949300000000, 0.0026514000000000 ] - [ -0.0005780800000000, -0.0007109000000000, 0.0004395400000000 ] - [ 0.0009531700000000, -0.0053692000000000, 0.0060111900000000 ] - [ -0.0006848400000000, -0.0000838200000000, -0.0002389600000000 ] - [ -0.0007393100000000, -0.0003065100000000, 0.0009878800000000 ] - [ 0.0007134600000000, -0.0009528900000000, -0.0007111100000000 ] - [ 0.0029328900000000, -0.0027614900000000, 0.0021171400000000 ] - [ -0.0029231400000000, -0.0002178500000000, -0.0004546600000000 ] - [ 0.0032478900000000, 0.0052013600000000, -0.0000482900000000 ] - [ -0.0012004900000000, 0.0006529100000000, -0.0002125000000000 ] - [ -0.0005889400000000, 0.0027034900000000, 0.0002967700000000 ] - [ 0.0003332300000000, 0.0007224800000000, -0.0001781000000000 ] - [ -0.0001290200000000, 0.0008108000000000, 0.0008613500000000 ] - [ -0.0002963400000000, 0.0018352800000000, -0.0004433400000000 ] - [ 0.0045602500000000, 0.0071451400000000, -0.0107295600000000 ] - [ -0.0011795300000000, 0.0009802900000000, -0.0003917000000000 ] - [ -0.0005492600000000, 0.0007940300000000, 0.0005048100000000 ] - [ 0.0003684500000000, 0.0017039300000000, -0.0001057900000000 ] - [ -0.0038936100000000, 0.0061471100000000, 0.0064989500000000 ] - [ 0.0004544600000000, 0.0012150000000000, 0.0002973000000000 ] - [ 0.0897132000000000, -0.0980911300000000, -0.0220302000000000 ] - [ -0.0006572300000000, -0.0012786200000000, -0.0002131900000000 ] - [ -0.0008751200000000, -0.0053582100000000, -0.0005787800000000 ] - [ -0.0002289700000000, -0.0021569900000000, -0.0007596200000000 ] - [ -0.0015682700000000, -0.0017506400000000, 0.0018665300000000 ] - [ 0.0006029900000000, -0.0034017600000000, 0.0000757600000000 ] - [ -0.0060516000000000, 0.0026027300000000, 0.0016015600000000 ] - [ 0.0064502000000000, 0.0015296600000000, -0.0030783600000000 ] - [ 0.0002108700000000, 0.0000002600000000, 0.0002069500000000 ] - [ -0.0000378700000000, -0.0015857300000000, 0.0033251900000000 ] - [ -0.0001303000000000, 0.0081700700000000, -0.0190796300000000 ] - [ -0.0014651500000000, -0.0003702700000000, 0.0003417300000000 ] - [ -0.0030476300000000, 0.0062415800000000, -0.0001031300000000 ] - [ -0.0003277000000000, 0.0013334000000000, -0.0007460800000000 ] - [ -0.0008390400000000, 0.0006737600000000, 0.0008202600000000 ] - [ 0.0014338400000000, 0.0034607600000000, 0.0010089000000000 ] - [ 0.0014919900000000, 0.0023144600000000, -0.0009459300000000 ] - [ -0.0009450100000000, 0.0006311700000000, 0.0006247000000000 ]- atom: 25 displacement: [ -0.0066287943301843, 0.0000000000000000, 0.0074872615640244 ] forces: - [ -0.0008099300000000, -0.0034724900000000, 0.0032967200000000 ] - [ -0.0012858600000000, 0.0001018200000000, -0.0017370700000000 ] - [ -0.0008868100000000, 0.0004686100000000, 0.0016885200000000 ] - [ 0.0005166300000000, -0.0001778800000000, -0.0004965800000000 ] - [ 0.0009404900000000, 0.0084225500000000, 0.0154643300000000 ] - [ -0.0009920400000000, -0.0002737700000000, -0.0007066300000000 ] - [ 0.0050019100000000, 0.0036108500000000, -0.0172604900000000 ] - [ -0.0007612200000000, -0.0004122500000000, 0.0005375900000000 ] - [ 0.0003426300000000, -0.0013186500000000, 0.0021894000000000 ] - [ 0.0002720100000000, 0.0003637200000000, 0.0010767800000000 ] - [ -0.0015003500000000, -0.0003733000000000, 0.0021299800000000 ] - [ 0.0013838300000000, -0.0011028500000000, -0.0035459900000000 ] - [ -0.0098629200000000, 0.0098166800000000, 0.0033946900000000 ] - [ -0.0031124800000000, -0.0041543300000000, -0.0017606300000000 ] - [ 0.0025123100000000, -0.0008522600000000, -0.0013513800000000 ] - [ -0.0004866300000000, -0.0002554300000000, 0.0003347900000000 ] - [ -0.0008054900000000, 0.0002702700000000, 0.0011393500000000 ] - [ 0.0018042500000000, 0.0002161700000000, 0.0013783600000000 ] - [ 0.0065327500000000, -0.0024667700000000, -0.0044622200000000 ] - [ -0.0020245500000000, 0.0001519100000000, -0.0005405200000000 ] - [ -0.0013061100000000, -0.0010791500000000, 0.0014670400000000 ] - [ -0.0002785400000000, -0.0001944600000000, -0.0013412300000000 ] - [ -0.0014447500000000, -0.0005439200000000, 0.0030317900000000 ] - [ -0.0000359200000000, 0.0001841300000000, -0.0005146900000000 ] - [ 0.1437996600000000, -0.0851103000000000, -0.0583886500000000 ] - [ -0.0030260500000000, 0.0002599700000000, 0.0003335400000000 ] - [ -0.0016928900000000, 0.0002279300000000, 0.0016482900000000 ] - [ 0.0006795300000000, -0.0005265100000000, 0.0002524800000000 ] - [ -0.0016486500000000, 0.0002322000000000, 0.0016867400000000 ] - [ 0.0004870000000000, -0.0005599200000000, 0.0000682600000000 ] - [ -0.0205929300000000, -0.0085694300000000, 0.0040295900000000 ] - [ -0.0055905000000000, 0.0000650600000000, -0.0009490100000000 ] - [ -0.0016712300000000, -0.0038470800000000, 0.0070347100000000 ] - [ -0.0012977300000000, -0.0005355800000000, -0.0000348300000000 ] - [ -0.0018470400000000, -0.0010052700000000, 0.0004791100000000 ] - [ 0.0020737100000000, 0.0001665700000000, -0.0002473000000000 ] - [ 0.0018131300000000, 0.0008423000000000, -0.0007292500000000 ] - [ -0.0014434400000000, 0.0005556200000000, -0.0002270100000000 ] - [ -0.0003721800000000, 0.0002456500000000, -0.0000557700000000 ] - [ -0.0000613000000000, 0.0003134800000000, -0.0001503700000000 ] - [ -0.0034544500000000, 0.0024129600000000, 0.0008682600000000 ] - [ 0.0013372700000000, -0.0002684700000000, -0.0006479300000000 ] - [ 0.0017616400000000, 0.0007563200000000, -0.0000640400000000 ] - [ -0.0010796400000000, 0.0001145500000000, 0.0001817000000000 ] - [ -0.0009931000000000, -0.0002311100000000, 0.0009674900000000 ] - [ 0.0010718400000000, 0.0005977000000000, 0.0002566400000000 ] - [ 0.0016817300000000, 0.0029230300000000, -0.0001225000000000 ] - [ -0.0010107700000000, -0.0003038600000000, 0.0002327300000000 ] - [ 0.0025660300000000, 0.0021050600000000, 0.0001018600000000 ] - [ -0.0019641100000000, 0.0015718100000000, 0.0006377900000000 ] - [ -0.0004614300000000, 0.0004970100000000, 0.0010319300000000 ] - [ -0.0000187500000000, 0.0003109500000000, 0.0004656200000000 ] - [ -0.0008155700000000, -0.0000403300000000, -0.0001750200000000 ] - [ 0.0004987900000000, -0.0001921100000000, -0.0011764400000000 ] - [ -0.0012004600000000, 0.0034983200000000, -0.0017334500000000 ] - [ -0.0000607300000000, 0.0005178100000000, -0.0005845600000000 ] - [ -0.0005101100000000, -0.0000058800000000, 0.0012132900000000 ] - [ 0.0009276800000000, 0.0002245500000000, 0.0004003200000000 ] - [ 0.0010149600000000, -0.0004001900000000, -0.0002345600000000 ] - [ -0.0005506200000000, -0.0000502800000000, -0.0000348700000000 ] - [ 0.0015192200000000, 0.0010267900000000, -0.0053892800000000 ] - [ -0.0006062700000000, -0.0001007200000000, -0.0004024900000000 ] - [ -0.0002326700000000, 0.0012669100000000, 0.0026283000000000 ] - [ 0.0006081000000000, -0.0003556100000000, -0.0001182700000000 ] - [ 0.0000215900000000, -0.0004467600000000, 0.0016011000000000 ] - [ 0.0002279800000000, 0.0004762500000000, 0.0006340600000000 ] - [ -0.0001996700000000, -0.0014956600000000, -0.0019334300000000 ] - [ -0.0008421400000000, 0.0013859800000000, -0.0024597500000000 ] - [ 0.0005802900000000, 0.0016563700000000, 0.0061457700000000 ] - [ -0.0005832400000000, -0.0004722600000000, 0.0006780300000000 ] - [ -0.0006042000000000, -0.0002321400000000, 0.0007260600000000 ] - [ 0.0009226200000000, -0.0004233100000000, 0.0001261400000000 ] - [ -0.0003956800000000, 0.0014809100000000, 0.0000962800000000 ] - [ -0.0001642400000000, 0.0002097900000000, 0.0002971500000000 ] - [ 0.0005725300000000, 0.0003917300000000, 0.0003457300000000 ] - [ -0.0010284600000000, 0.0007145000000000, 0.0008183600000000 ] - [ -0.0010724500000000, 0.0003915800000000, 0.0007689900000000 ] - [ 0.0008148900000000, 0.0001653500000000, 0.0005693600000000 ] - [ 0.0017117900000000, 0.0013018500000000, -0.0011506700000000 ] - [ -0.0012347600000000, -0.0000623100000000, -0.0005217600000000 ] - [ -0.0006148500000000, 0.0000323200000000, -0.0001350700000000 ] - [ 0.0010834700000000, 0.0012412100000000, -0.0009273300000000 ] - [ 0.0000685500000000, 0.0004345700000000, 0.0001186000000000 ] - [ 0.0000124200000000, -0.0000367900000000, -0.0003634600000000 ] - [ -0.0202179300000000, 0.0100384800000000, 0.0074933700000000 ] - [ -0.0002812900000000, -0.0017473200000000, -0.0020891600000000 ] - [ -0.0012027500000000, 0.0002741500000000, 0.0003796600000000 ] - [ 0.0014964100000000, -0.0007334400000000, -0.0003440200000000 ] - [ 0.0028555700000000, -0.0089471000000000, 0.0082203900000000 ] - [ -0.0014702600000000, 0.0006699900000000, -0.0003300800000000 ] - [ 0.0078627400000000, -0.0000157100000000, -0.0004494500000000 ] - [ -0.0032578500000000, -0.0013103800000000, 0.0011961400000000 ] - [ -0.0003928900000000, 0.0002141300000000, 0.0012945900000000 ] - [ -0.0003056800000000, -0.0009949300000000, 0.0013667300000000 ] - [ -0.0030556400000000, -0.0015470100000000, 0.0013579500000000 ] - [ 0.0036906100000000, 0.0035822700000000, -0.0041359000000000 ] - [ 0.0011158800000000, 0.0016396300000000, -0.0005783800000000 ] - [ 0.0016130900000000, -0.0039139400000000, 0.0037429300000000 ] - [ 0.0005621200000000, -0.0008939800000000, -0.0017409200000000 ] - [ -0.0009075600000000, 0.0005105700000000, 0.0001332200000000 ] - [ -0.0056210000000000, -0.0028246300000000, 0.0005567900000000 ] - [ 0.0029431900000000, 0.0002108000000000, -0.0003646600000000 ] - [ -0.0056104800000000, 0.0026670900000000, 0.0077846600000000 ] - [ 0.0085611200000000, 0.0000194700000000, 0.0018654700000000 ] - [ 0.0021277800000000, 0.0009043500000000, -0.0017007700000000 ] - [ -0.0038404900000000, 0.0037945100000000, 0.0018827800000000 ] - [ -0.0009911100000000, 0.0018795700000000, -0.0059424900000000 ] - [ 0.0010202300000000, -0.0004766300000000, -0.0008554800000000 ] - [ -0.0076800700000000, -0.0031925600000000, 0.0009466800000000 ] - [ 0.0023899400000000, -0.0001040300000000, 0.0000300400000000 ] - [ 0.0012363100000000, 0.0001752700000000, -0.0023119100000000 ] - [ -0.0013613300000000, 0.0002043400000000, -0.0003647800000000 ] - [ 0.0022717400000000, 0.0055007300000000, -0.0039884700000000 ] - [ 0.0008006900000000, 0.0000252500000000, 0.0015841400000000 ] - [ -0.0020643300000000, -0.0016520000000000, 0.0016767100000000 ] - [ 0.0017743500000000, -0.0008060700000000, 0.0003880200000000 ] - [ 0.0000073800000000, -0.0019436700000000, -0.0008215400000000 ] - [ 0.0001367800000000, -0.0000976000000000, -0.0000921800000000 ] - [ 0.0009726300000000, -0.0008462600000000, -0.0015880100000000 ] - [ -0.0011131500000000, -0.0005794900000000, 0.0003633700000000 ] - [ -0.0076400700000000, 0.0010232100000000, 0.0012782800000000 ] - [ 0.0026311100000000, 0.0001142100000000, 0.0001942100000000 ] - [ 0.0019730200000000, 0.0009594500000000, -0.0022497200000000 ] - [ -0.0011534800000000, -0.0004183300000000, -0.0001147700000000 ] - [ 0.0046572400000000, -0.0067802200000000, -0.0083426700000000 ] - [ 0.0001071600000000, 0.0019416200000000, 0.0027855800000000 ] - [ -0.0968150800000000, 0.0720258400000000, 0.0353846200000000 ] - [ 0.0056297800000000, 0.0009863700000000, -0.0004441300000000 ] - [ 0.0034060100000000, 0.0039254400000000, -0.0061980100000000 ] - [ 0.0007469900000000, 0.0006876400000000, 0.0004349500000000 ] - [ 0.0037445500000000, 0.0000639800000000, -0.0033628700000000 ] - [ -0.0025434000000000, -0.0006597400000000, 0.0019469700000000 ] - [ 0.0096374800000000, -0.0061207600000000, -0.0021172600000000 ] - [ -0.0034198300000000, 0.0018015900000000, 0.0047778200000000 ] - [ 0.0015500200000000, 0.0009048900000000, -0.0019271700000000 ] - [ -0.0011136400000000, 0.0008945200000000, -0.0031367100000000 ] - [ -0.0118094500000000, 0.0054929500000000, 0.0056054700000000 ] - [ 0.0032603400000000, 0.0013783200000000, -0.0005721200000000 ] - [ -0.0014810000000000, -0.0029795700000000, 0.0031251400000000 ] - [ 0.0018099200000000, -0.0013586600000000, 0.0008155000000000 ] - [ 0.0022499500000000, -0.0015366700000000, -0.0019492300000000 ] - [ -0.0024747000000000, -0.0023507600000000, -0.0005949700000000 ] - [ -0.0007702900000000, -0.0009119100000000, -0.0009608100000000 ] - [ 0.0011252700000000, -0.0010394800000000, -0.0008426700000000 ]- atom: 25 displacement: [ 0.0066287943301843, 0.0000000000000000, -0.0074872615640244 ] forces: - [ 0.0005074400000000, 0.0036856900000000, -0.0034257200000000 ] - [ 0.0009918700000000, 0.0001404500000000, 0.0016090200000000 ] - [ 0.0005947500000000, -0.0002273600000000, -0.0018188200000000 ] - [ -0.0008074600000000, 0.0004217500000000, 0.0003677400000000 ] - [ -0.0012289700000000, -0.0082368500000000, -0.0156930300000000 ] - [ 0.0006989900000000, 0.0005148400000000, 0.0005737400000000 ] - [ -0.0047945900000000, -0.0033329800000000, 0.0175018000000000 ] - [ 0.0010520000000000, 0.0006512300000000, -0.0004025600000000 ] - [ -0.0000450600000000, 0.0015508800000000, -0.0020430900000000 ] - [ 0.0000183200000000, -0.0001242200000000, -0.0009408700000000 ] - [ 0.0017931500000000, 0.0006137200000000, -0.0019972200000000 ] - [ -0.0010767100000000, 0.0013510100000000, 0.0036676200000000 ] - [ 0.0102162400000000, -0.0101008700000000, -0.0032731900000000 ] - [ 0.0034013000000000, 0.0039040500000000, 0.0018953100000000 ] - [ -0.0022148600000000, 0.0005902600000000, 0.0014695800000000 ] - [ 0.0007769100000000, 0.0000124500000000, -0.0002020100000000 ] - [ 0.0010961200000000, -0.0005158800000000, -0.0010084700000000 ] - [ -0.0015154200000000, -0.0004578600000000, -0.0012449300000000 ] - [ -0.0067898500000000, 0.0024077800000000, 0.0042819000000000 ] - [ 0.0017340300000000, -0.0003982800000000, 0.0004085100000000 ] - [ 0.0010062900000000, 0.0008297800000000, -0.0015931000000000 ] - [ -0.0000133800000000, -0.0000491900000000, 0.0012074500000000 ] - [ 0.0011538900000000, 0.0003022300000000, -0.0031689500000000 ] - [ -0.0002517500000000, -0.0004254800000000, 0.0003834200000000 ] - [ -0.1465316700000000, 0.0879794600000000, 0.0590619300000000 ] - [ 0.0031280700000000, -0.0003674100000000, 0.0004019500000000 ] - [ 0.0017889400000000, -0.0003342400000000, -0.0009102000000000 ] - [ -0.0005817500000000, 0.0004215500000000, 0.0004803600000000 ] - [ 0.0017434800000000, -0.0003376800000000, -0.0009482900000000 ] - [ -0.0003652300000000, 0.0004409900000000, 0.0006658900000000 ] - [ 0.0206974700000000, 0.0085197600000000, -0.0048072300000000 ] - [ 0.0054776100000000, -0.0001853400000000, 0.0002196200000000 ] - [ 0.0015471500000000, 0.0037140900000000, -0.0076946100000000 ] - [ 0.0011826100000000, 0.0004202200000000, -0.0006982800000000 ] - [ 0.0017396300000000, 0.0008899100000000, -0.0012127100000000 ] - [ -0.0021790300000000, -0.0002755000000000, -0.0004812400000000 ] - [ -0.0019304900000000, -0.0007218000000000, -0.0000054400000000 ] - [ 0.0013280100000000, -0.0004367200000000, -0.0005064500000000 ] - [ 0.0002624500000000, -0.0001287900000000, -0.0006770600000000 ] - [ -0.0000478800000000, -0.0002006100000000, -0.0005830500000000 ] - [ 0.0033554900000000, -0.0023074000000000, -0.0016057000000000 ] - [ -0.0014398700000000, 0.0003794600000000, -0.0000843500000000 ] - [ -0.0016363500000000, -0.0006356700000000, 0.0007894900000000 ] - [ 0.0011755500000000, -0.0000063400000000, 0.0005546900000000 ] - [ 0.0010947000000000, 0.0003424300000000, -0.0002301700000000 ] - [ -0.0009531000000000, -0.0004765000000000, 0.0004734100000000 ] - [ -0.0015768200000000, -0.0028150000000000, 0.0008571500000000 ] - [ 0.0011216900000000, 0.0004189100000000, 0.0005003200000000 ] - [ -0.0028386000000000, -0.0018543800000000, -0.0002330500000000 ] - [ 0.0016563600000000, -0.0013185200000000, -0.0007684100000000 ] - [ 0.0001701200000000, -0.0002548200000000, -0.0011639900000000 ] - [ -0.0002755100000000, -0.0000672600000000, -0.0005937400000000 ] - [ 0.0005193800000000, 0.0002795400000000, 0.0000376900000000 ] - [ -0.0007808200000000, 0.0004260700000000, 0.0010409900000000 ] - [ 0.0014905800000000, -0.0032324000000000, 0.0018395300000000 ] - [ 0.0003469300000000, -0.0002858700000000, 0.0007332800000000 ] - [ 0.0007984600000000, 0.0002476800000000, -0.0010774200000000 ] - [ -0.0006301400000000, 0.0000146000000000, -0.0002588000000000 ] - [ -0.0007285800000000, 0.0006355900000000, 0.0003760200000000 ] - [ 0.0008463700000000, 0.0002906000000000, 0.0001711900000000 ] - [ -0.0012091000000000, -0.0013214200000000, 0.0055059600000000 ] - [ 0.0008982000000000, -0.0001409300000000, 0.0005384600000000 ] - [ 0.0005266600000000, -0.0015000300000000, -0.0024799700000000 ] - [ -0.0003192600000000, 0.0001021900000000, 0.0002338100000000 ] - [ 0.0002666900000000, 0.0002057100000000, -0.0014693400000000 ] - [ 0.0000690400000000, -0.0007192200000000, -0.0005000000000000 ] - [ -0.0000987900000000, 0.0012491200000000, 0.0018056400000000 ] - [ 0.0005509900000000, -0.0016144700000000, 0.0023022600000000 ] - [ -0.0008727100000000, -0.0018957400000000, -0.0062602000000000 ] - [ 0.0002869700000000, 0.0002299900000000, -0.0008126900000000 ] - [ 0.0003091000000000, -0.0000103600000000, -0.0008558300000000 ] - [ -0.0012145600000000, 0.0001746900000000, -0.0002481600000000 ] - [ 0.0004992400000000, -0.0015934400000000, 0.0006383200000000 ] - [ 0.0002745100000000, -0.0003232600000000, 0.0004355900000000 ] - [ -0.0004561700000000, -0.0005091700000000, 0.0003839900000000 ] - [ 0.0011261100000000, -0.0008225800000000, -0.0000825400000000 ] - [ 0.0011842800000000, -0.0005078500000000, -0.0000375800000000 ] - [ -0.0007092200000000, -0.0002801500000000, 0.0001663600000000 ] - [ -0.0018194100000000, -0.0014139700000000, 0.0004194500000000 ] - [ 0.0011153100000000, -0.0000590000000000, -0.0002069300000000 ] - [ 0.0005056200000000, -0.0001450800000000, -0.0005980700000000 ] - [ -0.0011875200000000, -0.0013523000000000, 0.0001911100000000 ] - [ -0.0001827600000000, -0.0005547600000000, -0.0008502500000000 ] - [ -0.0001139500000000, -0.0000735500000000, -0.0003702900000000 ] - [ 0.0198489000000000, -0.0098067600000000, -0.0081416900000000 ] - [ 0.0001679700000000, 0.0018680600000000, 0.0013591400000000 ] - [ 0.0010891400000000, -0.0001565200000000, -0.0011119200000000 ] - [ -0.0015920100000000, 0.0008454800000000, -0.0003913100000000 ] - [ -0.0029403300000000, 0.0091028800000000, -0.0090466700000000 ] - [ 0.0013591900000000, -0.0005514800000000, -0.0004011100000000 ] - [ -0.0078267600000000, 0.0000691600000000, 0.0010996100000000 ] - [ 0.0033375800000000, 0.0014069400000000, -0.0004574600000000 ] - [ 0.0004993900000000, -0.0000970600000000, -0.0005553000000000 ] - [ 0.0004135500000000, 0.0011120500000000, -0.0006321000000000 ] - [ 0.0031603000000000, 0.0016590400000000, -0.0006248200000000 ] - [ -0.0035312400000000, -0.0035013600000000, 0.0049088400000000 ] - [ -0.0011182900000000, -0.0014088100000000, 0.0005825200000000 ] - [ -0.0016029800000000, 0.0041354800000000, -0.0037425300000000 ] - [ -0.0005582000000000, 0.0011151200000000, 0.0017385900000000 ] - [ 0.0009011300000000, -0.0002866700000000, -0.0001302100000000 ] - [ 0.0056331400000000, 0.0030436100000000, -0.0005827600000000 ] - [ -0.0029465300000000, 0.0000146900000000, 0.0003636600000000 ] - [ 0.0051291000000000, -0.0030717200000000, -0.0079131000000000 ] - [ -0.0085756100000000, -0.0002317000000000, -0.0018741800000000 ] - [ -0.0021180900000000, -0.0011194200000000, 0.0016935600000000 ] - [ 0.0038254400000000, -0.0040226900000000, -0.0018715100000000 ] - [ 0.0009994800000000, -0.0021181000000000, 0.0059397300000000 ] - [ -0.0010248800000000, 0.0002534800000000, 0.0008505300000000 ] - [ 0.0076238800000000, 0.0038575100000000, -0.0005814100000000 ] - [ -0.0023756100000000, 0.0003220400000000, -0.0000312800000000 ] - [ -0.0012353600000000, 0.0000434600000000, 0.0023019700000000 ] - [ 0.0013596200000000, 0.0000108100000000, 0.0003619900000000 ] - [ -0.0022451800000000, -0.0052945100000000, 0.0039951800000000 ] - [ -0.0008224800000000, 0.0002042000000000, -0.0015779800000000 ] - [ 0.0020753800000000, 0.0014383400000000, -0.0016754600000000 ] - [ -0.0017712200000000, 0.0005780400000000, -0.0003844100000000 ] - [ -0.0000140200000000, 0.0017116400000000, 0.0008233600000000 ] - [ -0.0001280700000000, -0.0001172500000000, 0.0000893600000000 ] - [ -0.0009701400000000, 0.0006269500000000, 0.0015857200000000 ] - [ 0.0011054000000000, 0.0003614800000000, -0.0003655800000000 ] - [ 0.0076291200000000, -0.0001014700000000, -0.0011922900000000 ] - [ -0.0026180000000000, 0.0008075300000000, -0.0001993400000000 ] - [ -0.0019651000000000, -0.0000343400000000, 0.0022423500000000 ] - [ 0.0011475600000000, 0.0013347100000000, 0.0001158300000000 ] - [ -0.0046657700000000, 0.0077126200000000, 0.0083510400000000 ] - [ -0.0001168800000000, -0.0010188000000000, -0.0027819100000000 ] - [ 0.1001893300000000, -0.0764474000000000, -0.0354505000000000 ] - [ -0.0056211500000000, -0.0019020400000000, 0.0004439500000000 ] - [ -0.0033910700000000, -0.0048187200000000, 0.0061746000000000 ] - [ -0.0007350100000000, -0.0016126600000000, -0.0004400800000000 ] - [ -0.0037377200000000, -0.0009896500000000, 0.0033595900000000 ] - [ 0.0025310900000000, -0.0002703400000000, -0.0019502700000000 ] - [ -0.0095878500000000, 0.0070055300000000, 0.0021147800000000 ] - [ 0.0034669600000000, -0.0008439700000000, -0.0047829700000000 ] - [ -0.0015418500000000, 0.0000129300000000, 0.0019249800000000 ] - [ 0.0010998700000000, 0.0000225200000000, 0.0031309700000000 ] - [ 0.0117945900000000, -0.0044711900000000, -0.0056908200000000 ] - [ -0.0032546000000000, -0.0004612100000000, 0.0005677600000000 ] - [ 0.0014560500000000, 0.0020527400000000, -0.0030930400000000 ] - [ -0.0017926100000000, 0.0004531700000000, -0.0008289700000000 ] - [ -0.0022368500000000, 0.0006089300000000, 0.0019385900000000 ] - [ 0.0024606900000000, 0.0014323600000000, 0.0005873100000000 ] - [ 0.0007828800000000, 0.0000009300000000, 0.0009491100000000 ] - [ -0.0011330100000000, 0.0001211500000000, 0.0008418600000000 ]- atom: 97 displacement: [ 0.0099999799273570, 0.0000000000000000, 0.0000200362785128 ] forces: - [ 0.0079662800000000, -0.0073542300000000, -0.0093410800000000 ] - [ -0.0046448000000000, 0.0029006300000000, 0.0013318300000000 ] - [ 0.0013650400000000, -0.0002105900000000, 0.0011240500000000 ] - [ -0.0012166600000000, 0.0000752700000000, -0.0013937100000000 ] - [ -0.0016537900000000, 0.0002404700000000, 0.0022243800000000 ] - [ 0.0015135000000000, -0.0024243600000000, -0.0056216400000000 ] - [ -0.0043763000000000, -0.0026814300000000, 0.0014706700000000 ] - [ 0.0076550900000000, 0.0080279800000000, -0.0092658500000000 ] - [ 0.0018288000000000, 0.0026749900000000, -0.0055043900000000 ] - [ -0.0013602100000000, 0.0000009200000000, 0.0023416300000000 ] - [ -0.0009297000000000, 0.0001632900000000, -0.0012475600000000 ] - [ 0.0016717800000000, 0.0004638200000000, 0.0012425000000000 ] - [ -0.0019214200000000, 0.0001513700000000, 0.0003153400000000 ] - [ 0.0100781200000000, -0.0009597100000000, 0.0001295500000000 ] - [ -0.0036428400000000, -0.0034957400000000, -0.0074830100000000 ] - [ -0.0027522000000000, 0.0039874900000000, 0.0081891400000000 ] - [ 0.0006087300000000, -0.0001221100000000, -0.0020526300000000 ] - [ -0.0002815500000000, -0.0002491800000000, 0.0012934900000000 ] - [ -0.0030729900000000, -0.0042682000000000, 0.0081005800000000 ] - [ -0.0039132200000000, 0.0032158400000000, -0.0075632900000000 ] - [ 0.0097933800000000, 0.0006922400000000, -0.0000637500000000 ] - [ -0.0022091500000000, -0.0003953500000000, 0.0001748400000000 ] - [ -0.0005717300000000, 0.0000014900000000, 0.0011680600000000 ] - [ 0.0003215200000000, -0.0001047900000000, -0.0022088500000000 ] - [ -0.0009870800000000, -0.0012140800000000, 0.0009162900000000 ] - [ -0.0027160600000000, 0.0032365500000000, 0.0000806800000000 ] - [ 0.0067821000000000, -0.0032436400000000, -0.0012092300000000 ] - [ -0.0035265500000000, 0.0014424600000000, 0.0011205000000000 ] - [ -0.0005240600000000, 0.0000679900000000, 0.0005982700000000 ] - [ 0.0007983200000000, -0.0002651200000000, -0.0001939400000000 ] - [ -0.0036468400000000, -0.0015667000000000, 0.0003971300000000 ] - [ 0.0066501800000000, 0.0031312300000000, -0.0019310500000000 ] - [ -0.0028122700000000, -0.0033472300000000, -0.0006473800000000 ] - [ -0.0011251300000000, 0.0010750600000000, 0.0001908200000000 ] - [ 0.0006738500000000, 0.0001445400000000, -0.0009214100000000 ] - [ -0.0006334600000000, -0.0001812600000000, -0.0001340700000000 ] - [ -0.0103501900000000, 0.0049935600000000, 0.0019875800000000 ] - [ 0.0120793000000000, 0.0150442600000000, 0.0038606200000000 ] - [ 0.0028769200000000, -0.0004954600000000, -0.0029051200000000 ] - [ -0.0021656400000000, 0.0005884100000000, 0.0006014700000000 ] - [ -0.0016808600000000, 0.0006373300000000, -0.0004297100000000 ] - [ 0.0019583100000000, -0.0009213800000000, 0.0000592500000000 ] - [ 0.0139465800000000, -0.0157505300000000, 0.0048788500000000 ] - [ -0.0102138900000000, -0.0048630500000000, 0.0027161200000000 ] - [ 0.0020491000000000, 0.0010355600000000, 0.0008039100000000 ] - [ -0.0015512000000000, -0.0005099500000000, 0.0002894600000000 ] - [ -0.0020416300000000, -0.0004642800000000, 0.0013324600000000 ] - [ 0.0029561100000000, 0.0005979000000000, -0.0021621100000000 ] - [ -0.0011801200000000, 0.0013418400000000, 0.0000755500000000 ] - [ 0.0010128300000000, -0.0029418000000000, 0.0003404800000000 ] - [ 0.0003294600000000, 0.0002617000000000, -0.0022521000000000 ] - [ -0.0006837600000000, 0.0001172000000000, 0.0011015900000000 ] - [ -0.0006755600000000, -0.0003788100000000, -0.0009084800000000 ] - [ 0.0003949800000000, 0.0011555200000000, 0.0016894800000000 ] - [ 0.0013156800000000, 0.0031929700000000, 0.0004992800000000 ] - [ -0.0008932300000000, -0.0010932500000000, 0.0002080000000000 ] - [ 0.0006796700000000, -0.0009265400000000, 0.0018461800000000 ] - [ -0.0003870400000000, 0.0006252300000000, -0.0007824400000000 ] - [ -0.0003941700000000, 0.0001261900000000, 0.0012424700000000 ] - [ 0.0006143000000000, -0.0000178800000000, -0.0021167100000000 ] - [ 0.0000455900000000, 0.0002974000000000, 0.0010856600000000 ] - [ -0.0002448700000000, -0.0003272100000000, -0.0009019600000000 ] - [ 0.0023534200000000, -0.0010317600000000, -0.0000502000000000 ] - [ -0.0011501100000000, 0.0001035700000000, 0.0002737700000000 ] - [ -0.0003242600000000, 0.0000656000000000, 0.0007985000000000 ] - [ 0.0005302600000000, -0.0003986000000000, -0.0009448700000000 ] - [ -0.0014372500000000, -0.0003439800000000, 0.0001429200000000 ] - [ 0.0020602300000000, 0.0007701600000000, -0.0001692400000000 ] - [ -0.0005295500000000, 0.0000905500000000, -0.0010384600000000 ] - [ -0.0002550800000000, -0.0005475500000000, 0.0009525600000000 ] - [ 0.0002433900000000, 0.0001521800000000, -0.0010668000000000 ] - [ -0.0006097100000000, -0.0003070200000000, 0.0006594600000000 ] - [ -0.0034031200000000, 0.0006239600000000, 0.0004788200000000 ] - [ 0.0103430500000000, -0.0010949100000000, -0.0007743700000000 ] - [ -0.0034721400000000, 0.0028657300000000, -0.0016803600000000 ] - [ -0.0000295400000000, -0.0029723600000000, 0.0032998000000000 ] - [ 0.0009177000000000, -0.0007796200000000, -0.0006999400000000 ] - [ -0.0008729900000000, 0.0006824400000000, 0.0011838200000000 ] - [ -0.0001088300000000, 0.0028988900000000, 0.0025884200000000 ] - [ -0.0035926200000000, -0.0029801800000000, -0.0023920900000000 ] - [ 0.0101876400000000, 0.0009334700000000, -0.0014762600000000 ] - [ -0.0035257000000000, -0.0007389900000000, -0.0002547300000000 ] - [ -0.0009922300000000, -0.0007975500000000, 0.0004547100000000 ] - [ 0.0007903700000000, 0.0006526600000000, -0.0014291400000000 ] - [ 0.0033810200000000, -0.0032055700000000, -0.0000757200000000 ] - [ -0.0023718600000000, 0.0012589100000000, -0.0000457400000000 ] - [ 0.0005708000000000, 0.0006513100000000, 0.0002022900000000 ] - [ -0.0008905400000000, -0.0002803600000000, -0.0009336400000000 ] - [ -0.0008568200000000, 0.0001794200000000, 0.0002130800000000 ] - [ 0.0004202400000000, 0.0003619500000000, -0.0014120800000000 ] - [ -0.0022520700000000, -0.0011433100000000, 0.0006826900000000 ] - [ 0.0034980500000000, 0.0033150800000000, 0.0006503200000000 ] - [ 0.0005445600000000, -0.0002384900000000, -0.0006842600000000 ] - [ -0.0007489400000000, -0.0000690600000000, 0.0009425900000000 ] - [ -0.0007820300000000, 0.0003926500000000, -0.0001985800000000 ] - [ 0.0006910300000000, -0.0005364000000000, 0.0009338700000000 ] - [ -0.1340438400000000, 0.0004106700000000, -0.0081643600000000 ] - [ 0.0097058600000000, 0.0001114900000000, 0.0006245300000000 ] - [ 0.0006032000000000, 0.0013216000000000, -0.0055288500000000 ] - [ 0.0017074700000000, -0.0017244800000000, 0.0054425200000000 ] - [ 0.0005837500000000, -0.0011182000000000, -0.0055542400000000 ] - [ 0.0017168200000000, 0.0019433700000000, 0.0054022800000000 ] - [ -0.0050294000000000, 0.0088316100000000, -0.0089727300000000 ] - [ 0.0056274300000000, -0.0023698100000000, 0.0015493100000000 ] - [ -0.0049675600000000, -0.0090381200000000, -0.0089430300000000 ] - [ 0.0056265400000000, 0.0021676200000000, 0.0015619400000000 ] - [ 0.0008353200000000, -0.0001065000000000, -0.0020716700000000 ] - [ -0.0006700400000000, -0.0001156200000000, 0.0044489600000000 ] - [ 0.0008180400000000, 0.0009806700000000, -0.0007850500000000 ] - [ 0.0008298500000000, -0.0007560200000000, -0.0007871200000000 ] - [ -0.0020363300000000, 0.0017892900000000, 0.0014638900000000 ] - [ 0.0015475200000000, -0.0005320700000000, -0.0007484500000000 ] - [ 0.0015477900000000, 0.0007558800000000, -0.0007566300000000 ] - [ -0.0020328700000000, -0.0015617100000000, 0.0014685900000000 ] - [ 0.0034659900000000, -0.0027876700000000, -0.0029070100000000 ] - [ -0.0032150300000000, 0.0104719800000000, 0.0097377100000000 ] - [ -0.0032813300000000, -0.0107663300000000, 0.0098042700000000 ] - [ 0.0034724000000000, 0.0025506500000000, -0.0028921900000000 ] - [ 0.0000284100000000, -0.0007402300000000, -0.0002533700000000 ] - [ 0.0000214500000000, 0.0005209400000000, -0.0002334900000000 ] - [ 0.0455355300000000, 0.0154187400000000, -0.0055770700000000 ] - [ 0.0450052400000000, -0.0143443000000000, -0.0056011500000000 ] - [ -0.0069665500000000, 0.0000559300000000, 0.0022913700000000 ] - [ 0.0036441200000000, 0.0005832300000000, -0.0012660400000000 ] - [ 0.0036554400000000, 0.0003216100000000, -0.0012802400000000 ] - [ -0.0069493800000000, 0.0008879000000000, 0.0024281100000000 ] - [ 0.0068932200000000, 0.0033503500000000, -0.0042159700000000 ] - [ -0.0045399700000000, -0.0128261900000000, 0.0230488200000000 ] - [ -0.0046306700000000, 0.0119432100000000, 0.0231191800000000 ] - [ 0.0068828300000000, -0.0042312800000000, -0.0041959100000000 ] - [ -0.0002056500000000, -0.0009653600000000, 0.0002571200000000 ] - [ -0.0002278600000000, 0.0000447700000000, 0.0002795300000000 ] - [ -0.0081753000000000, 0.0004687500000000, 0.0007768400000000 ] - [ 0.0045500900000000, 0.0004581900000000, -0.0007558500000000 ] - [ 0.0009481700000000, 0.0008060200000000, -0.0016977200000000 ] - [ -0.0000501200000000, 0.0010855300000000, 0.0022799400000000 ] - [ 0.0009274700000000, 0.0001199000000000, -0.0016883800000000 ] - [ -0.0000317600000000, -0.0001728800000000, 0.0022641900000000 ] - [ -0.0023522800000000, -0.0095112000000000, -0.0066878400000000 ] - [ 0.0049728300000000, 0.0021554500000000, 0.0009373500000000 ] - [ -0.0021835400000000, 0.0086296900000000, -0.0066830300000000 ] - [ 0.0049706100000000, -0.0030792200000000, 0.0009498800000000 ] - [ 0.0020377700000000, -0.0004570700000000, -0.0018846400000000 ] - [ -0.0018834300000000, -0.0004485000000000, 0.0030778400000000 ]- atom: 97 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0013790900000000, 0.0092937000000000, -0.0073839900000000 ] - [ -0.0008842200000000, 0.0016071200000000, 0.0001915600000000 ] - [ 0.0017870600000000, -0.0002918500000000, -0.0029217400000000 ] - [ -0.0009152800000000, 0.0004710900000000, 0.0006250900000000 ] - [ -0.0001829700000000, 0.0001472000000000, -0.0000132300000000 ] - [ 0.0014176800000000, 0.0020015500000000, 0.0035903400000000 ] - [ 0.0008842200000000, 0.0016071200000000, -0.0001915600000000 ] - [ 0.0013790900000000, 0.0092937000000000, 0.0073839900000000 ] - [ -0.0014176800000000, 0.0020015500000000, -0.0035903400000000 ] - [ 0.0001829700000000, 0.0001472000000000, 0.0000132300000000 ] - [ 0.0009152800000000, 0.0004710900000000, -0.0006250900000000 ] - [ -0.0017870600000000, -0.0002918500000000, 0.0029217400000000 ] - [ 0.0004094400000000, 0.0002961500000000, -0.0002171400000000 ] - [ 0.0012223700000000, 0.0140418900000000, 0.0035201500000000 ] - [ -0.0023823400000000, 0.0035997100000000, 0.0026749100000000 ] - [ 0.0032483900000000, 0.0032504300000000, 0.0014147000000000 ] - [ 0.0009385100000000, -0.0011874200000000, -0.0021563000000000 ] - [ -0.0003514800000000, 0.0004614700000000, 0.0003997400000000 ] - [ -0.0032483900000000, 0.0032504300000000, -0.0014147000000000 ] - [ 0.0023823400000000, 0.0035997100000000, -0.0026749100000000 ] - [ -0.0012223700000000, 0.0140418900000000, -0.0035201500000000 ] - [ -0.0004094400000000, 0.0002961500000000, 0.0002171400000000 ] - [ 0.0003514800000000, 0.0004614700000000, -0.0003997400000000 ] - [ -0.0009385100000000, -0.0011874200000000, 0.0021563000000000 ] - [ -0.0018809300000000, -0.0005836200000000, 0.0006979300000000 ] - [ 0.0051449800000000, -0.0041639800000000, -0.0005025700000000 ] - [ 0.0024588700000000, -0.0046179700000000, -0.0014336500000000 ] - [ -0.0001518100000000, -0.0003033100000000, 0.0003300300000000 ] - [ 0.0012065000000000, -0.0009728600000000, 0.0000543100000000 ] - [ -0.0005118300000000, -0.0009325200000000, 0.0004005900000000 ] - [ 0.0001518100000000, -0.0003033100000000, -0.0003300300000000 ] - [ -0.0024588700000000, -0.0046179700000000, 0.0014336500000000 ] - [ -0.0051449800000000, -0.0041639800000000, 0.0005025700000000 ] - [ 0.0018809300000000, -0.0005836200000000, -0.0006979300000000 ] - [ 0.0005118300000000, -0.0009325200000000, -0.0004005900000000 ] - [ -0.0012065000000000, -0.0009728600000000, -0.0000543100000000 ] - [ 0.0004668000000000, 0.0009794300000000, 0.0002280800000000 ] - [ -0.0009367700000000, 0.0196909700000000, 0.0028728200000000 ] - [ -0.0026721300000000, 0.0055129200000000, 0.0025309500000000 ] - [ -0.0009406800000000, 0.0010169500000000, 0.0001927300000000 ] - [ 0.0004291900000000, 0.0006593500000000, -0.0004291100000000 ] - [ -0.0040665300000000, 0.0048297900000000, -0.0012568100000000 ] - [ 0.0009367700000000, 0.0196909700000000, -0.0028728200000000 ] - [ -0.0004668000000000, 0.0009794300000000, -0.0002280800000000 ] - [ 0.0040665300000000, 0.0048297900000000, 0.0012568100000000 ] - [ -0.0004291900000000, 0.0006593500000000, 0.0004291100000000 ] - [ 0.0009406800000000, 0.0010169500000000, -0.0001927300000000 ] - [ 0.0026721300000000, 0.0055129200000000, -0.0025309500000000 ] - [ 0.0002025500000000, -0.0003437800000000, 0.0002509600000000 ] - [ -0.0016324300000000, -0.0044755100000000, -0.0034318400000000 ] - [ 0.0002836100000000, -0.0002576900000000, 0.0016644200000000 ] - [ -0.0003367900000000, -0.0000501800000000, 0.0003603000000000 ] - [ -0.0000089500000000, -0.0003235100000000, -0.0005524000000000 ] - [ -0.0005452400000000, -0.0028080000000000, -0.0059079900000000 ] - [ 0.0016324300000000, -0.0044755100000000, 0.0034318400000000 ] - [ -0.0002025500000000, -0.0003437800000000, -0.0002509600000000 ] - [ 0.0005452400000000, -0.0028080000000000, 0.0059079900000000 ] - [ 0.0000089500000000, -0.0003235100000000, 0.0005524000000000 ] - [ 0.0003367900000000, -0.0000501800000000, -0.0003603000000000 ] - [ -0.0002836100000000, -0.0002576900000000, -0.0016644200000000 ] - [ 0.0024532500000000, -0.0029743900000000, -0.0012379800000000 ] - [ -0.0007069700000000, -0.0019468200000000, -0.0012421300000000 ] - [ 0.0007837300000000, -0.0050572800000000, -0.0005059300000000 ] - [ -0.0000956600000000, -0.0006461300000000, -0.0000821600000000 ] - [ -0.0001506800000000, -0.0003605800000000, 0.0006958400000000 ] - [ -0.0001740800000000, -0.0005984400000000, -0.0004915100000000 ] - [ 0.0000956600000000, -0.0006461300000000, 0.0000821600000000 ] - [ -0.0007837300000000, -0.0050572800000000, 0.0005059300000000 ] - [ 0.0007069700000000, -0.0019468200000000, 0.0012421300000000 ] - [ -0.0024532500000000, -0.0029743900000000, 0.0012379800000000 ] - [ 0.0001740800000000, -0.0005984400000000, 0.0004915100000000 ] - [ 0.0001506800000000, -0.0003605800000000, -0.0006958400000000 ] - [ 0.0002217100000000, 0.0001390900000000, 0.0002425900000000 ] - [ 0.0086869200000000, 0.0054348700000000, 0.0029389600000000 ] - [ 0.0015127400000000, 0.0002686600000000, 0.0015394900000000 ] - [ -0.0052598500000000, 0.0028078900000000, 0.0028738100000000 ] - [ 0.0000089000000000, 0.0010079500000000, 0.0004576200000000 ] - [ -0.0002086300000000, 0.0003610000000000, 0.0002303300000000 ] - [ 0.0052598500000000, 0.0028078900000000, -0.0028738100000000 ] - [ -0.0015127400000000, 0.0002686600000000, -0.0015394900000000 ] - [ -0.0086869200000000, 0.0054348700000000, -0.0029389600000000 ] - [ -0.0002217100000000, 0.0001390900000000, -0.0002425900000000 ] - [ 0.0002086300000000, 0.0003610000000000, -0.0002303300000000 ] - [ -0.0000089000000000, 0.0010079500000000, -0.0004576200000000 ] - [ 0.0014661400000000, -0.0052710200000000, -0.0010778600000000 ] - [ 0.0005274700000000, -0.0007050700000000, -0.0007827800000000 ] - [ 0.0014714000000000, -0.0027638000000000, -0.0014642500000000 ] - [ -0.0003828200000000, -0.0007799200000000, -0.0006528800000000 ] - [ 0.0006990000000000, -0.0008662700000000, -0.0006898500000000 ] - [ 0.0007714500000000, -0.0018930000000000, -0.0002645600000000 ] - [ -0.0005274700000000, -0.0007050700000000, 0.0007827800000000 ] - [ -0.0014661400000000, -0.0052710200000000, 0.0010778600000000 ] - [ -0.0007714500000000, -0.0018930000000000, 0.0002645600000000 ] - [ -0.0006990000000000, -0.0008662700000000, 0.0006898500000000 ] - [ 0.0003828200000000, -0.0007799200000000, 0.0006528800000000 ] - [ -0.0014714000000000, -0.0027638000000000, 0.0014642500000000 ] - [ 0.0000000000000000, -0.1240401600000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0008075800000000, 0.0000000000000000 ] - [ -0.0012138900000000, -0.0024683800000000, -0.0017332200000000 ] - [ 0.0018350000000000, -0.0022242000000000, -0.0014118600000000 ] - [ 0.0012138900000000, -0.0024683800000000, 0.0017332200000000 ] - [ -0.0018350000000000, -0.0022242000000000, 0.0014118600000000 ] - [ 0.0089864400000000, 0.0095988300000000, -0.0087723000000000 ] - [ -0.0022715200000000, -0.0006302800000000, 0.0004243700000000 ] - [ -0.0089864400000000, 0.0095988300000000, 0.0087723000000000 ] - [ 0.0022715200000000, -0.0006302800000000, -0.0004243700000000 ] - [ 0.0000000000000000, 0.0002218000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0025570700000000, 0.0000000000000000 ] - [ -0.0008503300000000, 0.0044550000000000, -0.0019469700000000 ] - [ 0.0008503300000000, 0.0044550000000000, 0.0019469700000000 ] - [ -0.0016735000000000, 0.0044710600000000, -0.0000337000000000 ] - [ 0.0006427900000000, 0.0010929500000000, -0.0000380300000000 ] - [ -0.0006427900000000, 0.0010929500000000, 0.0000380300000000 ] - [ 0.0016735000000000, 0.0044710600000000, 0.0000337000000000 ] - [ -0.0026641400000000, 0.0004639400000000, 0.0001443500000000 ] - [ 0.0105371100000000, 0.0060699200000000, 0.0102124900000000 ] - [ -0.0105371100000000, 0.0060699200000000, -0.0102124900000000 ] - [ 0.0026641400000000, 0.0004639400000000, -0.0001443500000000 ] - [ -0.0006280200000000, -0.0019439000000000, -0.0013200700000000 ] - [ 0.0006280200000000, -0.0019439000000000, 0.0013200700000000 ] - [ -0.0018722300000000, -0.0197788000000000, -0.0004828200000000 ] - [ 0.0018722300000000, -0.0197788000000000, 0.0004828200000000 ] - [ -0.0015311000000000, -0.0129174000000000, 0.0106501400000000 ] - [ 0.0011470000000000, -0.0008366600000000, -0.0006454600000000 ] - [ -0.0011470000000000, -0.0008366600000000, 0.0006454600000000 ] - [ 0.0015311000000000, -0.0129174000000000, -0.0106501400000000 ] - [ 0.0009600000000000, -0.0011028200000000, 0.0002251000000000 ] - [ -0.0096176400000000, 0.0125934200000000, -0.0174587600000000 ] - [ 0.0096176400000000, 0.0125934200000000, 0.0174587600000000 ] - [ -0.0009600000000000, -0.0011028200000000, -0.0002251000000000 ] - [ -0.0021702200000000, 0.0010438300000000, 0.0020266100000000 ] - [ 0.0021702200000000, 0.0010438300000000, -0.0020266100000000 ] - [ 0.0000000000000000, 0.0126630600000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0019599500000000, 0.0000000000000000 ] - [ 0.0007101800000000, 0.0043522700000000, -0.0019926000000000 ] - [ 0.0008504300000000, 0.0035537600000000, -0.0003049300000000 ] - [ -0.0007101800000000, 0.0043522700000000, 0.0019926000000000 ] - [ -0.0008504300000000, 0.0035537600000000, 0.0003049300000000 ] - [ -0.0201124400000000, 0.0167833600000000, 0.0102800100000000 ] - [ 0.0005527600000000, 0.0002408300000000, 0.0008131200000000 ] - [ 0.0201124400000000, 0.0167833600000000, -0.0102800100000000 ] - [ -0.0005527600000000, 0.0002408300000000, -0.0008131200000000 ] - [ 0.0000000000000000, -0.0010156100000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0025804500000000, 0.0000000000000000 ]- atom: 97 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0016007600000000, -0.0084769400000000, 0.0072625500000000 ] - [ 0.0005780300000000, -0.0013624500000000, -0.0003397600000000 ] - [ -0.0020998900000000, 0.0005425400000000, 0.0027920600000000 ] - [ 0.0006179800000000, -0.0002279900000000, -0.0007698200000000 ] - [ -0.0001137900000000, 0.0000912200000000, -0.0001417300000000 ] - [ -0.0017320300000000, -0.0017477700000000, -0.0037177200000000 ] - [ -0.0005780300000000, -0.0013624500000000, 0.0003397600000000 ] - [ -0.0016007600000000, -0.0084769400000000, -0.0072625500000000 ] - [ 0.0017320300000000, -0.0017477700000000, 0.0037177200000000 ] - [ 0.0001137900000000, 0.0000912200000000, 0.0001417300000000 ] - [ -0.0006179800000000, -0.0002279900000000, 0.0007698200000000 ] - [ 0.0020998900000000, 0.0005425400000000, -0.0027920600000000 ] - [ -0.0001082700000000, -0.0005373300000000, 0.0003549500000000 ] - [ -0.0009288200000000, -0.0140101300000000, -0.0038277200000000 ] - [ 0.0026672300000000, -0.0038193100000000, -0.0025143900000000 ] - [ -0.0029369100000000, -0.0034703200000000, -0.0012498300000000 ] - [ -0.0006374700000000, 0.0009487800000000, 0.0023128600000000 ] - [ 0.0006513000000000, -0.0007009100000000, -0.0002566100000000 ] - [ 0.0029369100000000, -0.0034703200000000, 0.0012498300000000 ] - [ -0.0026672300000000, -0.0038193100000000, 0.0025143900000000 ] - [ 0.0009288200000000, -0.0140101300000000, 0.0038277200000000 ] - [ 0.0001082700000000, -0.0005373300000000, -0.0003549500000000 ] - [ -0.0006513000000000, -0.0007009100000000, 0.0002566100000000 ] - [ 0.0006374700000000, 0.0009487800000000, -0.0023128600000000 ] - [ 0.0019603800000000, 0.0004859000000000, 0.0000476000000000 ] - [ -0.0050489300000000, 0.0040687300000000, 0.0012425300000000 ] - [ -0.0023642600000000, 0.0045209700000000, 0.0021567000000000 ] - [ 0.0002300500000000, 0.0002116600000000, 0.0004150200000000 ] - [ -0.0011187800000000, 0.0008733300000000, 0.0006880500000000 ] - [ 0.0006060500000000, 0.0008276200000000, 0.0003427700000000 ] - [ -0.0002300500000000, 0.0002116600000000, -0.0004150200000000 ] - [ 0.0023642600000000, 0.0045209700000000, -0.0021567000000000 ] - [ 0.0050489300000000, 0.0040687300000000, -0.0012425300000000 ] - [ -0.0019603800000000, 0.0004859000000000, -0.0000476000000000 ] - [ -0.0006060500000000, 0.0008276200000000, -0.0003427700000000 ] - [ 0.0011187800000000, 0.0008733300000000, -0.0006880500000000 ] - [ -0.0005303400000000, -0.0008846900000000, -0.0009798100000000 ] - [ 0.0003357900000000, -0.0197575000000000, -0.0036738400000000 ] - [ 0.0025819600000000, -0.0054263300000000, -0.0032796200000000 ] - [ 0.0008451800000000, -0.0009084000000000, -0.0009312100000000 ] - [ -0.0005272300000000, -0.0005488900000000, -0.0003126500000000 ] - [ 0.0039929400000000, -0.0047506200000000, 0.0005241100000000 ] - [ -0.0003357900000000, -0.0197575000000000, 0.0036738400000000 ] - [ 0.0005303400000000, -0.0008846900000000, 0.0009798100000000 ] - [ -0.0039929400000000, -0.0047506200000000, -0.0005241100000000 ] - [ 0.0005272300000000, -0.0005488900000000, 0.0003126500000000 ] - [ -0.0008451800000000, -0.0009084000000000, 0.0009312100000000 ] - [ -0.0025819600000000, -0.0054263300000000, 0.0032796200000000 ] - [ -0.0005048400000000, 0.0005733800000000, -0.0004046000000000 ] - [ 0.0013594100000000, 0.0047229900000000, 0.0033001500000000 ] - [ -0.0005869400000000, 0.0004954700000000, -0.0018134000000000 ] - [ 0.0000401500000000, 0.0002876600000000, -0.0005048600000000 ] - [ -0.0002919200000000, 0.0005567900000000, 0.0003958200000000 ] - [ 0.0002477700000000, 0.0030578800000000, 0.0057879500000000 ] - [ -0.0013594100000000, 0.0047229900000000, -0.0033001500000000 ] - [ 0.0005048400000000, 0.0005733800000000, 0.0004046000000000 ] - [ -0.0002477700000000, 0.0030578800000000, -0.0057879500000000 ] - [ 0.0002919200000000, 0.0005567900000000, -0.0003958200000000 ] - [ -0.0000401500000000, 0.0002876600000000, 0.0005048600000000 ] - [ 0.0005869400000000, 0.0004954700000000, 0.0018134000000000 ] - [ -0.0021681700000000, 0.0027406500000000, 0.0013903000000000 ] - [ 0.0010154900000000, 0.0017050300000000, 0.0013944500000000 ] - [ -0.0004939600000000, 0.0048287900000000, 0.0006246700000000 ] - [ 0.0003977600000000, 0.0004031200000000, 0.0002261100000000 ] - [ 0.0004501800000000, 0.0001170200000000, -0.0005595900000000 ] - [ 0.0004753800000000, 0.0003564100000000, 0.0006385200000000 ] - [ -0.0003977600000000, 0.0004031200000000, -0.0002261100000000 ] - [ 0.0004939600000000, 0.0048287900000000, -0.0006246700000000 ] - [ -0.0010154900000000, 0.0017050300000000, -0.0013944500000000 ] - [ 0.0021681700000000, 0.0027406500000000, -0.0013903000000000 ] - [ -0.0004753800000000, 0.0003564100000000, -0.0006385200000000 ] - [ -0.0004501800000000, 0.0001170200000000, 0.0005595900000000 ] - [ -0.0001291600000000, -0.0002500500000000, 0.0004948600000000 ] - [ -0.0085374400000000, -0.0062147100000000, -0.0028995500000000 ] - [ -0.0014087800000000, -0.0003969800000000, -0.0007899200000000 ] - [ 0.0053932100000000, -0.0029505300000000, -0.0021314100000000 ] - [ 0.0000865000000000, -0.0011234500000000, 0.0002809500000000 ] - [ 0.0003003300000000, -0.0004711700000000, 0.0005101000000000 ] - [ -0.0053932100000000, -0.0029505300000000, 0.0021314100000000 ] - [ 0.0014087800000000, -0.0003969800000000, 0.0007899200000000 ] - [ 0.0085374400000000, -0.0062147100000000, 0.0028995500000000 ] - [ 0.0001291600000000, -0.0002500500000000, -0.0004948600000000 ] - [ -0.0003003300000000, -0.0004711700000000, -0.0005101000000000 ] - [ -0.0000865000000000, -0.0011234500000000, -0.0002809500000000 ] - [ -0.0015808700000000, 0.0053763000000000, 0.0003425800000000 ] - [ -0.0006177600000000, 0.0008167800000000, 0.0000406900000000 ] - [ -0.0015613600000000, 0.0028727600000000, 0.0007181000000000 ] - [ 0.0002937500000000, 0.0008822600000000, -0.0000897400000000 ] - [ -0.0007965700000000, 0.0009767800000000, -0.0000498100000000 ] - [ -0.0008604000000000, 0.0020018300000000, -0.0004725000000000 ] - [ 0.0006177600000000, 0.0008167800000000, -0.0000406900000000 ] - [ 0.0015808700000000, 0.0053763000000000, -0.0003425800000000 ] - [ 0.0008604000000000, 0.0020018300000000, 0.0004725000000000 ] - [ 0.0007965700000000, 0.0009767800000000, 0.0000498100000000 ] - [ -0.0002937500000000, 0.0008822600000000, 0.0000897400000000 ] - [ 0.0015613600000000, 0.0028727600000000, -0.0007181000000000 ] - [ 0.0000000000000000, 0.1244300400000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0010139300000000, 0.0000000000000000 ] - [ 0.0012182100000000, 0.0026943700000000, 0.0017296500000000 ] - [ -0.0018394700000000, 0.0024390700000000, 0.0014076600000000 ] - [ -0.0012182100000000, 0.0026943700000000, -0.0017296500000000 ] - [ 0.0018394700000000, 0.0024390700000000, -0.0014076600000000 ] - [ -0.0089181100000000, -0.0097784500000000, 0.0086643100000000 ] - [ 0.0022671100000000, 0.0004107000000000, -0.0004230800000000 ] - [ 0.0089181100000000, -0.0097784500000000, -0.0086643100000000 ] - [ -0.0022671100000000, 0.0004107000000000, 0.0004230800000000 ] - [ 0.0000000000000000, -0.0004401500000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0027794600000000, 0.0000000000000000 ] - [ 0.0008776200000000, -0.0042485300000000, 0.0019510700000000 ] - [ -0.0008776200000000, -0.0042485300000000, -0.0019510700000000 ] - [ 0.0016786000000000, -0.0042621400000000, 0.0000520700000000 ] - [ -0.0006453800000000, -0.0008843900000000, 0.0000339000000000 ] - [ 0.0006453800000000, -0.0008843900000000, -0.0000339000000000 ] - [ -0.0016786000000000, -0.0042621400000000, -0.0000520700000000 ] - [ 0.0026769000000000, -0.0006650900000000, -0.0001294500000000 ] - [ -0.0106606200000000, -0.0063003300000000, -0.0102938800000000 ] - [ 0.0106606200000000, -0.0063003300000000, 0.0102938800000000 ] - [ -0.0026769000000000, -0.0006650900000000, 0.0001294500000000 ] - [ 0.0006303600000000, 0.0017408800000000, 0.0013276700000000 ] - [ -0.0006303600000000, 0.0017408800000000, -0.0013276700000000 ] - [ 0.0017220100000000, 0.0205477700000000, 0.0005145100000000 ] - [ -0.0017220100000000, 0.0205477700000000, -0.0005145100000000 ] - [ 0.0015369000000000, 0.0139082700000000, -0.0107466300000000 ] - [ -0.0011491100000000, 0.0017504500000000, 0.0006416400000000 ] - [ 0.0011491100000000, 0.0017504500000000, -0.0006416400000000 ] - [ -0.0015369000000000, 0.0139082700000000, 0.0107466300000000 ] - [ -0.0009581600000000, 0.0001743800000000, -0.0002216600000000 ] - [ 0.0095673000000000, -0.0134792200000000, 0.0173168000000000 ] - [ -0.0095673000000000, -0.0134792200000000, -0.0173168000000000 ] - [ 0.0009581600000000, 0.0001743800000000, 0.0002216600000000 ] - [ 0.0021694800000000, -0.0019684900000000, -0.0020304200000000 ] - [ -0.0021694800000000, -0.0019684900000000, 0.0020304200000000 ] - [ 0.0000000000000000, -0.0117668000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0010470400000000, 0.0000000000000000 ] - [ -0.0007278200000000, -0.0034488300000000, 0.0020086200000000 ] - [ -0.0008433300000000, -0.0026408300000000, 0.0003053800000000 ] - [ 0.0007278200000000, -0.0034488300000000, -0.0020086200000000 ] - [ 0.0008433300000000, -0.0026408300000000, -0.0003053800000000 ] - [ 0.0202592500000000, -0.0177708200000000, -0.0103555800000000 ] - [ -0.0005475600000000, -0.0011295500000000, -0.0008095800000000 ] - [ -0.0202592500000000, -0.0177708200000000, 0.0103555800000000 ] - [ 0.0005475600000000, -0.0011295500000000, 0.0008095800000000 ] - [ 0.0000000000000000, 0.0001068500000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0016918000000000, 0.0000000000000000 ]- atom: 97 displacement: [ -0.0066287943301843, 0.0000000000000000, 0.0074872615640244 ] forces: - [ -0.0056427900000000, 0.0042977600000000, 0.0146731600000000 ] - [ 0.0025117000000000, -0.0012267300000000, -0.0000733800000000 ] - [ 0.0013152400000000, -0.0018413400000000, -0.0045146500000000 ] - [ 0.0006042200000000, -0.0004389900000000, -0.0010174500000000 ] - [ 0.0015473000000000, 0.0002508700000000, -0.0017587400000000 ] - [ -0.0043870500000000, 0.0035134900000000, 0.0016064900000000 ] - [ 0.0028029300000000, 0.0014726700000000, 0.0000513400000000 ] - [ -0.0055600400000000, -0.0038833900000000, 0.0147819800000000 ] - [ -0.0041006100000000, -0.0032850600000000, 0.0017423500000000 ] - [ 0.0018429900000000, -0.0000135600000000, -0.0016272200000000 ] - [ 0.0008952800000000, 0.0006801500000000, -0.0008874100000000 ] - [ 0.0016069800000000, 0.0020760600000000, -0.0043702900000000 ] - [ 0.0016084600000000, -0.0004930700000000, -0.0003459900000000 ] - [ -0.0086390900000000, -0.0058837400000000, 0.0086490000000000 ] - [ 0.0014801400000000, 0.0023804200000000, 0.0055061100000000 ] - [ 0.0041275900000000, -0.0031043300000000, -0.0024182300000000 ] - [ -0.0010917400000000, -0.0031002900000000, -0.0046563300000000 ] - [ 0.0010727100000000, -0.0002429300000000, -0.0021704400000000 ] - [ 0.0037782000000000, 0.0028436400000000, -0.0025783700000000 ] - [ 0.0011845100000000, -0.0026275100000000, 0.0053712100000000 ] - [ -0.0089267500000000, 0.0061000400000000, 0.0093667300000000 ] - [ 0.0013195300000000, 0.0002480900000000, -0.0004736600000000 ] - [ 0.0007836600000000, -0.0000017900000000, -0.0023052000000000 ] - [ -0.0013798800000000, 0.0028492200000000, -0.0047841100000000 ] - [ 0.0019392200000000, 0.0006046000000000, 0.0004558800000000 ] - [ -0.0010009400000000, -0.0000617100000000, 0.0017492400000000 ] - [ -0.0052142900000000, -0.0003949000000000, 0.0012546100000000 ] - [ 0.0027364200000000, -0.0012463900000000, -0.0002403700000000 ] - [ 0.0016320700000000, -0.0008339500000000, -0.0004746400000000 ] - [ -0.0011107600000000, 0.0007551600000000, 0.0002570100000000 ] - [ 0.0026168400000000, 0.0011284100000000, -0.0009680800000000 ] - [ -0.0053182300000000, 0.0002749200000000, 0.0005240600000000 ] - [ -0.0011123000000000, -0.0000472800000000, 0.0010273800000000 ] - [ 0.0018175600000000, -0.0007326100000000, -0.0002687300000000 ] - [ -0.0012321300000000, -0.0008786000000000, -0.0004713900000000 ] - [ 0.0015168000000000, 0.0007179800000000, -0.0012029700000000 ] - [ 0.0057076700000000, -0.0022857900000000, -0.0009853200000000 ] - [ -0.0096050100000000, -0.0075876100000000, 0.0039500200000000 ] - [ -0.0064026600000000, 0.0027428600000000, -0.0007076700000000 ] - [ 0.0028180900000000, -0.0007256800000000, -0.0013957800000000 ] - [ 0.0010773300000000, -0.0006544700000000, -0.0011163100000000 ] - [ 0.0021011500000000, -0.0012810400000000, -0.0035122700000000 ] - [ -0.0089975400000000, 0.0075227400000000, 0.0047839200000000 ] - [ 0.0058099700000000, 0.0023941400000000, -0.0002461300000000 ] - [ 0.0022008400000000, 0.0014006100000000, -0.0027932300000000 ] - [ 0.0012016500000000, 0.0007776000000000, -0.0003882500000000 ] - [ 0.0029359000000000, 0.0008469600000000, -0.0006688900000000 ] - [ -0.0062775600000000, -0.0026195900000000, 0.0000216500000000 ] - [ 0.0007371100000000, -0.0005504900000000, 0.0005725200000000 ] - [ -0.0004231500000000, 0.0037886200000000, 0.0053619400000000 ] - [ -0.0012121000000000, 0.0004329800000000, -0.0001564500000000 ] - [ 0.0008156800000000, -0.0001269000000000, -0.0016343900000000 ] - [ 0.0000639900000000, 0.0005693300000000, -0.0003873300000000 ] - [ -0.0004716000000000, -0.0025654900000000, -0.0043935900000000 ] - [ -0.0001364500000000, -0.0035451400000000, 0.0054872100000000 ] - [ 0.0010276700000000, 0.0007927100000000, 0.0007075900000000 ] - [ -0.0001840400000000, 0.0028064700000000, -0.0042504500000000 ] - [ 0.0003553500000000, -0.0003266800000000, -0.0002483600000000 ] - [ 0.0011054500000000, 0.0003690200000000, -0.0014956100000000 ] - [ -0.0009220800000000, -0.0001873900000000, -0.0000324100000000 ] - [ 0.0020282800000000, -0.0021128000000000, -0.0007564700000000 ] - [ -0.0000926700000000, -0.0004349500000000, 0.0008132900000000 ] - [ -0.0024949100000000, 0.0036814000000000, 0.0025567900000000 ] - [ 0.0012091900000000, 0.0000100200000000, 0.0001239900000000 ] - [ 0.0011122900000000, -0.0004291500000000, -0.0015337800000000 ] - [ -0.0006901900000000, -0.0001523200000000, -0.0006704800000000 ] - [ 0.0009180100000000, -0.0002511300000000, -0.0000123800000000 ] - [ -0.0027818000000000, -0.0039220200000000, 0.0024338300000000 ] - [ -0.0003835100000000, 0.0001956700000000, 0.0006778400000000 ] - [ 0.0017354800000000, 0.0018686400000000, -0.0008896000000000 ] - [ -0.0009798600000000, -0.0000898400000000, -0.0008021300000000 ] - [ 0.0008221100000000, 0.0001898900000000, -0.0016722000000000 ] - [ 0.0024280300000000, -0.0003344600000000, 0.0003782100000000 ] - [ 0.0000467100000000, -0.0038835900000000, 0.0076466300000000 ] - [ 0.0007458700000000, -0.0016593800000000, 0.0018350800000000 ] - [ 0.0046957300000000, 0.0003203300000000, -0.0015153900000000 ] - [ -0.0020070200000000, 0.0009444400000000, -0.0006291300000000 ] - [ 0.0022717700000000, -0.0012863800000000, -0.0010717800000000 ] - [ 0.0045810200000000, -0.0004128500000000, -0.0022550200000000 ] - [ 0.0006141000000000, 0.0015308900000000, 0.0011025900000000 ] - [ -0.0001429100000000, 0.0033247400000000, 0.0073495700000000 ] - [ 0.0023079100000000, 0.0002160500000000, -0.0003480000000000 ] - [ 0.0021598000000000, 0.0011740200000000, -0.0018033300000000 ] - [ -0.0021298800000000, -0.0010647900000000, -0.0013540900000000 ] - [ -0.0027096800000000, 0.0022639400000000, 0.0008009400000000 ] - [ 0.0014011300000000, -0.0005830600000000, -0.0002582000000000 ] - [ 0.0001385400000000, -0.0005625800000000, -0.0010214300000000 ] - [ 0.0001503000000000, 0.0004127300000000, -0.0003937700000000 ] - [ 0.0017680900000000, -0.0006780900000000, -0.0012004900000000 ] - [ -0.0013988100000000, 0.0001984700000000, -0.0002012600000000 ] - [ 0.0015164500000000, 0.0006989300000000, 0.0004705300000000 ] - [ -0.0025870700000000, -0.0021402200000000, 0.0015314000000000 ] - [ -0.0012814000000000, -0.0000794200000000, 0.0005305900000000 ] - [ 0.0018813500000000, 0.0007908600000000, -0.0004704400000000 ] - [ 0.0002602200000000, -0.0002996800000000, 0.0003358000000000 ] - [ 0.0002544500000000, 0.0006773500000000, -0.0002916500000000 ] - [ 0.0828937900000000, 0.0001058600000000, -0.0843407900000000 ] - [ -0.0059643800000000, 0.0001086500000000, -0.0005763600000000 ] - [ -0.0045618800000000, 0.0005983300000000, 0.0053590400000000 ] - [ 0.0029238400000000, 0.0023827500000000, -0.0002253000000000 ] - [ -0.0045439800000000, -0.0003803900000000, 0.0053349200000000 ] - [ 0.0029270800000000, -0.0021609700000000, -0.0002162900000000 ] - [ -0.0033915400000000, -0.0125243900000000, 0.0034373500000000 ] - [ -0.0025573400000000, 0.0017102800000000, -0.0005640500000000 ] - [ -0.0034105800000000, 0.0123982600000000, 0.0034342700000000 ] - [ -0.0025685900000000, -0.0019299900000000, -0.0005687200000000 ] - [ -0.0021094800000000, -0.0001094300000000, 0.0022791600000000 ] - [ 0.0037738600000000, -0.0001099100000000, 0.0003114400000000 ] - [ -0.0011330100000000, 0.0009959100000000, -0.0014037800000000 ] - [ -0.0011295900000000, -0.0007795900000000, -0.0014072400000000 ] - [ 0.0024459400000000, -0.0009666500000000, 0.0001878400000000 ] - [ -0.0015919800000000, 0.0005664800000000, 0.0014106200000000 ] - [ -0.0015899900000000, -0.0003409100000000, 0.0014113700000000 ] - [ 0.0024436700000000, 0.0011872900000000, 0.0001908600000000 ] - [ -0.0044712200000000, 0.0017600300000000, 0.0011611800000000 ] - [ 0.0094888800000000, 0.0005575400000000, -0.0073140400000000 ] - [ 0.0094766100000000, -0.0007448800000000, -0.0073437400000000 ] - [ -0.0044752600000000, -0.0019830000000000, 0.0011557700000000 ] - [ -0.0002047300000000, -0.0006888400000000, 0.0035471800000000 ] - [ -0.0002078700000000, 0.0004604900000000, 0.0035452500000000 ] - [ -0.0262547400000000, -0.0081201800000000, -0.0032993900000000 ] - [ -0.0263610400000000, 0.0090180400000000, -0.0034475800000000 ] - [ 0.0057451100000000, -0.0023979300000000, 0.0242340300000000 ] - [ -0.0039342900000000, 0.0009601900000000, 0.0023689700000000 ] - [ -0.0039288300000000, -0.0000471100000000, 0.0023735100000000 ] - [ 0.0056839000000000, 0.0033477900000000, 0.0241242900000000 ] - [ -0.0058749900000000, -0.0027799000000000, 0.0021896800000000 ] - [ 0.0138224400000000, -0.0018410900000000, -0.0174098300000000 ] - [ 0.0138349100000000, 0.0008901600000000, -0.0175177500000000 ] - [ -0.0058923100000000, 0.0018798800000000, 0.0021871700000000 ] - [ -0.0013942400000000, 0.0019203200000000, 0.0039045700000000 ] - [ -0.0013961500000000, -0.0028320700000000, 0.0038974600000000 ] - [ 0.0077289800000000, 0.0004532700000000, -0.0069610500000000 ] - [ -0.0029895100000000, 0.0004590600000000, -0.0001853600000000 ] - [ -0.0032259000000000, -0.0007576200000000, 0.0029254100000000 ] - [ 0.0012781200000000, 0.0004253800000000, -0.0001065400000000 ] - [ -0.0032282900000000, 0.0016735300000000, 0.0029321000000000 ] - [ 0.0012841900000000, 0.0004899000000000, -0.0001072600000000 ] - [ -0.0134097200000000, 0.0185631700000000, 0.0051574700000000 ] - [ -0.0023883200000000, -0.0013664000000000, -0.0007761800000000 ] - [ -0.0134064500000000, -0.0195586400000000, 0.0051472300000000 ] - [ -0.0023938700000000, 0.0004598600000000, -0.0007772400000000 ] - [ -0.0040943400000000, -0.0004582900000000, 0.0030845500000000 ] - [ 0.0036165500000000, -0.0004590500000000, 0.0019384900000000 ]- atom: 121 displacement: [ 0.0099999799273570, 0.0000000000000000, 0.0000200362785128 ] forces: - [ -0.0051955000000000, 0.0245769700000000, 0.0173921000000000 ] - [ -0.0052543400000000, -0.0020105400000000, -0.0019809200000000 ] - [ -0.0023616600000000, 0.0012016900000000, 0.0029247700000000 ] - [ 0.0017394200000000, 0.0001809000000000, -0.0017835000000000 ] - [ 0.0025488500000000, 0.0046733700000000, 0.0050188100000000 ] - [ -0.0012143900000000, -0.0001155200000000, -0.0005787100000000 ] - [ -0.0043967700000000, -0.0242829200000000, 0.0176094000000000 ] - [ -0.0049512200000000, 0.0022393900000000, -0.0018407600000000 ] - [ 0.0027840000000000, -0.0043981800000000, 0.0051591000000000 ] - [ -0.0009257600000000, 0.0003601600000000, -0.0004622100000000 ] - [ -0.0020757300000000, -0.0009639900000000, 0.0030699000000000 ] - [ 0.0019959600000000, 0.0000781000000000, -0.0016886700000000 ] - [ -0.0043834300000000, -0.0000304200000000, 0.0087429000000000 ] - [ -0.0024937000000000, 0.0009341300000000, -0.0073573200000000 ] - [ 0.0296704500000000, 0.0059977900000000, 0.0164969500000000 ] - [ -0.0020975200000000, -0.0000673000000000, 0.0001689100000000 ] - [ -0.0009995200000000, 0.0013845000000000, 0.0036423100000000 ] - [ 0.0011303100000000, -0.0008710100000000, -0.0011092800000000 ] - [ 0.0294706400000000, -0.0066358400000000, 0.0164023300000000 ] - [ -0.0023862000000000, -0.0001756400000000, 0.0000414700000000 ] - [ -0.0046467500000000, -0.0002169400000000, 0.0085542200000000 ] - [ -0.0028040000000000, -0.0011819900000000, -0.0075525300000000 ] - [ -0.0012837000000000, -0.0016307900000000, 0.0035087300000000 ] - [ 0.0008377600000000, 0.0006296900000000, -0.0012113500000000 ] - [ 0.0103189500000000, -0.0045924100000000, -0.0007555300000000 ] - [ -0.0035544100000000, 0.0011233100000000, 0.0006702600000000 ] - [ -0.0044896300000000, 0.0038254900000000, 0.0025606400000000 ] - [ -0.0009903500000000, -0.0005191700000000, -0.0004140800000000 ] - [ -0.0016749100000000, 0.0004958700000000, 0.0014530300000000 ] - [ 0.0014040200000000, -0.0004301700000000, 0.0000237900000000 ] - [ -0.0045749800000000, -0.0039232000000000, 0.0018150900000000 ] - [ -0.0011238200000000, 0.0003919600000000, -0.0011378400000000 ] - [ 0.0101640900000000, 0.0044858300000000, -0.0014966400000000 ] - [ -0.0036735600000000, -0.0012458300000000, -0.0000582600000000 ] - [ -0.0017899700000000, -0.0006119100000000, 0.0007233400000000 ] - [ 0.0012929000000000, 0.0003176800000000, -0.0007078900000000 ] - [ 0.1279792500000000, -0.0902249000000000, -0.0214497600000000 ] - [ -0.0085348400000000, 0.0007180700000000, -0.0003638600000000 ] - [ -0.0001879400000000, 0.0009368300000000, 0.0040524400000000 ] - [ -0.0016714500000000, 0.0002905900000000, -0.0008076700000000 ] - [ -0.0036321900000000, 0.0016250000000000, 0.0014562500000000 ] - [ 0.0021202500000000, -0.0005473100000000, -0.0018015500000000 ] - [ 0.1229466900000000, 0.0850527000000000, -0.0193655400000000 ] - [ -0.0084398400000000, -0.0005941500000000, 0.0003609000000000 ] - [ -0.0035212200000000, -0.0015103400000000, 0.0021840900000000 ] - [ 0.0022695600000000, 0.0006723700000000, -0.0010799600000000 ] - [ -0.0000356700000000, -0.0008099600000000, 0.0047854600000000 ] - [ -0.0015583600000000, -0.0001713800000000, -0.0000735100000000 ] - [ -0.0000008800000000, 0.0071284900000000, -0.0031620700000000 ] - [ -0.0018214800000000, -0.0004236600000000, -0.0009698600000000 ] - [ 0.0007991000000000, -0.0011214000000000, 0.0039384400000000 ] - [ -0.0007702400000000, 0.0007975100000000, 0.0000020100000000 ] - [ -0.0011036700000000, 0.0010341100000000, 0.0022775900000000 ] - [ 0.0006301600000000, -0.0014488800000000, -0.0031547800000000 ] - [ 0.0002809700000000, -0.0069115200000000, -0.0030303500000000 ] - [ -0.0015333900000000, 0.0006674600000000, -0.0008385900000000 ] - [ -0.0008166800000000, -0.0007865400000000, 0.0024001600000000 ] - [ 0.0009181400000000, 0.0016822900000000, -0.0030006500000000 ] - [ 0.0010873600000000, 0.0013607500000000, 0.0040661700000000 ] - [ -0.0004831000000000, -0.0005570700000000, 0.0001392200000000 ] - [ 0.0038052800000000, -0.0007145300000000, -0.0002833900000000 ] - [ -0.0019603600000000, 0.0006420600000000, 0.0004392400000000 ] - [ -0.0012057600000000, -0.0010920500000000, 0.0002721000000000 ] - [ -0.0006386600000000, 0.0002025100000000, -0.0014554500000000 ] - [ -0.0005480500000000, 0.0000432000000000, 0.0017545400000000 ] - [ 0.0009581300000000, -0.0000254600000000, -0.0005269800000000 ] - [ -0.0014887100000000, 0.0008469600000000, 0.0001502900000000 ] - [ -0.0009288000000000, -0.0004471000000000, -0.0015785200000000 ] - [ 0.0035204200000000, 0.0004704200000000, -0.0004196300000000 ] - [ -0.0022474700000000, -0.0008817900000000, 0.0003036500000000 ] - [ -0.0008397900000000, -0.0002883200000000, 0.0016286300000000 ] - [ 0.0006709900000000, -0.0002190600000000, -0.0006596700000000 ] - [ -0.0095913100000000, 0.0060096000000000, 0.0046653500000000 ] - [ -0.0023109500000000, -0.0064851500000000, -0.0062894900000000 ] - [ 0.0137137300000000, 0.0001005600000000, -0.0033094500000000 ] - [ -0.0040916900000000, 0.0014117700000000, 0.0010344500000000 ] - [ -0.0010776100000000, -0.0002732200000000, 0.0014163100000000 ] - [ 0.0013953600000000, -0.0000405400000000, 0.0000514100000000 ] - [ 0.0135826600000000, -0.0002469000000000, -0.0040123700000000 ] - [ -0.0042176200000000, -0.0015321100000000, 0.0003116500000000 ] - [ -0.0096946600000000, -0.0060969100000000, 0.0039156100000000 ] - [ -0.0023952900000000, 0.0064125900000000, -0.0070364700000000 ] - [ -0.0011901400000000, 0.0001579300000000, 0.0006864400000000 ] - [ 0.0012668500000000, -0.0001046300000000, -0.0006623500000000 ] - [ 0.0006775700000000, 0.0031236400000000, -0.0016636700000000 ] - [ -0.0028590900000000, 0.0003818800000000, -0.0004425000000000 ] - [ -0.0023700900000000, 0.0008991200000000, 0.0005748300000000 ] - [ 0.0026004400000000, -0.0013911300000000, -0.0013158500000000 ] - [ 0.0017941200000000, -0.0014397400000000, 0.0002286800000000 ] - [ -0.0014013100000000, 0.0010061000000000, -0.0000389000000000 ] - [ 0.0007957300000000, -0.0030292700000000, -0.0009414700000000 ] - [ -0.0027506100000000, -0.0002738600000000, 0.0002883400000000 ] - [ 0.0018979500000000, 0.0015486000000000, 0.0009585900000000 ] - [ -0.0012730100000000, -0.0008828400000000, 0.0006852600000000 ] - [ -0.0022546800000000, -0.0007861800000000, 0.0013068200000000 ] - [ 0.0027099500000000, 0.0014993200000000, -0.0005752500000000 ] - [ 0.0449844400000000, -0.0017309900000000, 0.0049070600000000 ] - [ 0.0454956700000000, 0.0018577200000000, 0.0049072700000000 ] - [ 0.0036530500000000, -0.0010402400000000, -0.0020038200000000 ] - [ -0.0069540000000000, 0.0016690300000000, 0.0014719500000000 ] - [ -0.0069627600000000, -0.0013598500000000, 0.0015958000000000 ] - [ 0.0036564700000000, 0.0012582000000000, -0.0020114400000000 ] - [ -0.0045181800000000, -0.0097466700000000, 0.0143243900000000 ] - [ 0.0068866900000000, 0.0008633500000000, -0.0017597900000000 ] - [ 0.0068839500000000, -0.0010698000000000, -0.0017532700000000 ] - [ -0.0046243600000000, 0.0095120600000000, 0.0144226400000000 ] - [ -0.0002178400000000, 0.0020610200000000, -0.0020359900000000 ] - [ -0.0002066700000000, -0.0022833700000000, -0.0020430700000000 ] - [ -0.0081825400000000, 0.0001217700000000, 0.0030584600000000 ] - [ 0.0045531200000000, 0.0001110900000000, 0.0000392300000000 ] - [ 0.0009469800000000, -0.0005996200000000, -0.0034637500000000 ] - [ -0.0000438700000000, -0.0007391800000000, 0.0016774100000000 ] - [ 0.0009434300000000, 0.0008215300000000, -0.0034626200000000 ] - [ -0.0000398900000000, 0.0009634100000000, 0.0016695500000000 ] - [ -0.0022521500000000, -0.0202974100000000, -0.0198879900000000 ] - [ 0.0049714000000000, 0.0004338100000000, 0.0011985800000000 ] - [ -0.0022379600000000, 0.0200334700000000, -0.0198756600000000 ] - [ 0.0049699000000000, -0.0006606900000000, 0.0012089800000000 ] - [ 0.0020414200000000, -0.0001106000000000, -0.0036534700000000 ] - [ -0.0018813900000000, -0.0001108300000000, 0.0031706800000000 ] - [ -0.3621485600000000, 0.0061204000000000, 0.0227110400000000 ] - [ 0.0115075200000000, 0.0004609600000000, -0.0017739600000000 ] - [ 0.0056626000000000, 0.0011575600000000, -0.0100706900000000 ] - [ -0.0005508700000000, -0.0004906800000000, 0.0062730800000000 ] - [ 0.0056333100000000, -0.0002570300000000, -0.0101042400000000 ] - [ -0.0005172100000000, 0.0013946700000000, 0.0062095700000000 ] - [ -0.0084893500000000, 0.0171300700000000, -0.0360532100000000 ] - [ 0.0054692200000000, -0.0025458000000000, 0.0021897000000000 ] - [ -0.0082633300000000, -0.0180294800000000, -0.0358437400000000 ] - [ 0.0054700100000000, 0.0016511700000000, 0.0022121900000000 ] - [ 0.0046318000000000, -0.0004556800000000, -0.0047559000000000 ] - [ -0.0031482000000000, -0.0004677900000000, 0.0025484400000000 ] - [ 0.0039096500000000, 0.0003598800000000, 0.0010486000000000 ] - [ 0.0038986700000000, 0.0005732400000000, 0.0010491700000000 ] - [ 0.0037005200000000, 0.0006512300000000, -0.0019572100000000 ] - [ -0.0051456600000000, -0.0009448000000000, 0.0003646200000000 ] - [ -0.0051503300000000, 0.0018691900000000, 0.0003581400000000 ] - [ 0.0037123700000000, 0.0002642800000000, -0.0019674200000000 ] - [ -0.0056882100000000, 0.0116229300000000, 0.0168363700000000 ] - [ 0.0093765100000000, -0.0042953400000000, -0.0027357800000000 ] - [ 0.0093683400000000, 0.0033675700000000, -0.0027246900000000 ] - [ -0.0057299100000000, -0.0125452800000000, 0.0168034600000000 ] - [ -0.0001905700000000, -0.0006453000000000, -0.0020908300000000 ] - [ -0.0001728500000000, -0.0002607200000000, -0.0020957500000000 ]- atom: 121 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0157740700000000, 0.0020008200000000, -0.0108725700000000 ] - [ -0.0004794600000000, 0.0024467100000000, 0.0002139100000000 ] - [ -0.0000113600000000, 0.0005300300000000, -0.0000789300000000 ] - [ -0.0017622400000000, 0.0003102600000000, -0.0034858900000000 ] - [ -0.0020794600000000, 0.0023422700000000, 0.0078348300000000 ] - [ 0.0001196700000000, 0.0004306100000000, -0.0003639800000000 ] - [ -0.0157740700000000, 0.0020008200000000, 0.0108725700000000 ] - [ 0.0004794600000000, 0.0024467100000000, -0.0002139100000000 ] - [ 0.0020794600000000, 0.0023422700000000, -0.0078348300000000 ] - [ -0.0001196700000000, 0.0004306100000000, 0.0003639800000000 ] - [ 0.0000113600000000, 0.0005300300000000, 0.0000789300000000 ] - [ 0.0017622400000000, 0.0003102600000000, 0.0034858900000000 ] - [ -0.0029913700000000, 0.0047980900000000, 0.0023167200000000 ] - [ 0.0030601000000000, 0.0030309000000000, 0.0009542500000000 ] - [ 0.0069636500000000, 0.0545688100000000, 0.0517485000000000 ] - [ 0.0003274200000000, 0.0009002100000000, 0.0009314900000000 ] - [ 0.0009709500000000, 0.0006742800000000, -0.0004293700000000 ] - [ 0.0000415500000000, 0.0004565100000000, 0.0017843900000000 ] - [ -0.0069636500000000, 0.0545688100000000, -0.0517485000000000 ] - [ -0.0003274200000000, 0.0009002100000000, -0.0009314900000000 ] - [ 0.0029913700000000, 0.0047980900000000, -0.0023167200000000 ] - [ -0.0030601000000000, 0.0030309000000000, -0.0009542500000000 ] - [ -0.0009709500000000, 0.0006742800000000, 0.0004293700000000 ] - [ -0.0000415500000000, 0.0004565100000000, -0.0017843900000000 ] - [ 0.0011384600000000, -0.0067817800000000, 0.0020968500000000 ] - [ 0.0002179500000000, -0.0005804600000000, 0.0000461300000000 ] - [ 0.0078230000000000, -0.0057525000000000, -0.0024444900000000 ] - [ -0.0025923700000000, -0.0008214400000000, -0.0000057600000000 ] - [ -0.0003196700000000, -0.0003926900000000, 0.0006976000000000 ] - [ 0.0008939900000000, -0.0013060300000000, -0.0000628600000000 ] - [ -0.0078230000000000, -0.0057525000000000, 0.0024444900000000 ] - [ 0.0025923700000000, -0.0008214400000000, 0.0000057600000000 ] - [ -0.0011384600000000, -0.0067817800000000, -0.0020968500000000 ] - [ -0.0002179500000000, -0.0005804600000000, -0.0000461300000000 ] - [ 0.0003196700000000, -0.0003926900000000, -0.0006976000000000 ] - [ -0.0008939900000000, -0.0013060300000000, 0.0000628600000000 ] - [ -0.0873370100000000, 0.0953423600000000, 0.0191516100000000 ] - [ -0.0020039700000000, 0.0008751600000000, -0.0001582800000000 ] - [ -0.0019479700000000, 0.0049621800000000, 0.0038152000000000 ] - [ -0.0006668600000000, 0.0017561300000000, 0.0006283000000000 ] - [ -0.0008473000000000, 0.0013478500000000, -0.0003641600000000 ] - [ -0.0005678200000000, 0.0029985100000000, -0.0010707900000000 ] - [ 0.0873370100000000, 0.0953423600000000, -0.0191516100000000 ] - [ 0.0020039700000000, 0.0008751600000000, 0.0001582800000000 ] - [ 0.0008473000000000, 0.0013478500000000, 0.0003641600000000 ] - [ 0.0005678200000000, 0.0029985100000000, 0.0010707900000000 ] - [ 0.0019479700000000, 0.0049621800000000, -0.0038152000000000 ] - [ 0.0006668600000000, 0.0017561300000000, -0.0006283000000000 ] - [ 0.0015195700000000, -0.0079400000000000, -0.0005829600000000 ] - [ -0.0003399500000000, -0.0009386900000000, -0.0004903700000000 ] - [ -0.0002387600000000, -0.0012956000000000, 0.0034351300000000 ] - [ 0.0001883400000000, -0.0003197600000000, 0.0002557500000000 ] - [ -0.0001718500000000, -0.0007268900000000, -0.0014437500000000 ] - [ -0.0009377400000000, -0.0034238800000000, -0.0051985200000000 ] - [ -0.0015195700000000, -0.0079400000000000, 0.0005829600000000 ] - [ 0.0003399500000000, -0.0009386900000000, 0.0004903700000000 ] - [ 0.0001718500000000, -0.0007268900000000, 0.0014437500000000 ] - [ 0.0009377400000000, -0.0034238800000000, 0.0051985200000000 ] - [ 0.0002387600000000, -0.0012956000000000, -0.0034351300000000 ] - [ -0.0001883400000000, -0.0003197600000000, -0.0002557500000000 ] - [ 0.0003799100000000, -0.0055403900000000, -0.0021317400000000 ] - [ 0.0002963500000000, -0.0013469700000000, -0.0007073700000000 ] - [ -0.0014871600000000, -0.0033273400000000, -0.0001905400000000 ] - [ 0.0017371400000000, -0.0029469900000000, -0.0009950100000000 ] - [ 0.0002569400000000, -0.0006361800000000, 0.0001129300000000 ] - [ -0.0005383000000000, -0.0008901200000000, -0.0000717800000000 ] - [ 0.0014871600000000, -0.0033273400000000, 0.0001905400000000 ] - [ -0.0017371400000000, -0.0029469900000000, 0.0009950100000000 ] - [ -0.0003799100000000, -0.0055403900000000, 0.0021317400000000 ] - [ -0.0002963500000000, -0.0013469700000000, 0.0007073700000000 ] - [ -0.0002569400000000, -0.0006361800000000, -0.0001129300000000 ] - [ 0.0005383000000000, -0.0008901200000000, 0.0000717800000000 ] - [ 0.0069670400000000, -0.0021954300000000, -0.0022952200000000 ] - [ -0.0061309300000000, -0.0011307800000000, -0.0033533800000000 ] - [ 0.0070497500000000, -0.0076843100000000, 0.0131699900000000 ] - [ -0.0005896200000000, 0.0007731100000000, 0.0010219900000000 ] - [ -0.0003965100000000, 0.0003998900000000, 0.0005579400000000 ] - [ -0.0001507000000000, 0.0019938200000000, 0.0007620700000000 ] - [ -0.0070497500000000, -0.0076843100000000, -0.0131699900000000 ] - [ 0.0005896200000000, 0.0007731100000000, -0.0010219900000000 ] - [ -0.0069670400000000, -0.0021954300000000, 0.0022952200000000 ] - [ 0.0061309300000000, -0.0011307800000000, 0.0033533800000000 ] - [ 0.0003965100000000, 0.0003998900000000, -0.0005579400000000 ] - [ 0.0001507000000000, 0.0019938200000000, -0.0007620700000000 ] - [ 0.0029967300000000, -0.0066782400000000, -0.0010232200000000 ] - [ 0.0002416200000000, -0.0017327100000000, -0.0013140700000000 ] - [ 0.0010940200000000, -0.0010787000000000, -0.0007831300000000 ] - [ 0.0005439900000000, -0.0038704600000000, -0.0023647600000000 ] - [ 0.0013866000000000, -0.0027237500000000, 0.0003062500000000 ] - [ 0.0003007800000000, -0.0010297100000000, -0.0008201700000000 ] - [ -0.0029967300000000, -0.0066782400000000, 0.0010232200000000 ] - [ -0.0002416200000000, -0.0017327100000000, 0.0013140700000000 ] - [ -0.0013866000000000, -0.0027237500000000, -0.0003062500000000 ] - [ -0.0003007800000000, -0.0010297100000000, 0.0008201700000000 ] - [ -0.0010940200000000, -0.0010787000000000, 0.0007831300000000 ] - [ -0.0005439900000000, -0.0038704600000000, 0.0023647600000000 ] - [ 0.0149277300000000, -0.0200944200000000, 0.0017284400000000 ] - [ -0.0149277300000000, -0.0200944200000000, -0.0017284400000000 ] - [ -0.0001304300000000, -0.0011923100000000, -0.0007866100000000 ] - [ 0.0004091900000000, -0.0132597400000000, 0.0041463900000000 ] - [ -0.0004091900000000, -0.0132597400000000, -0.0041463900000000 ] - [ 0.0001304300000000, -0.0011923100000000, 0.0007866100000000 ] - [ -0.0123796800000000, 0.0129261900000000, -0.0128459700000000 ] - [ 0.0037981100000000, -0.0007428500000000, 0.0002442400000000 ] - [ -0.0037981100000000, -0.0007428500000000, -0.0002442400000000 ] - [ 0.0123796800000000, 0.0129261900000000, 0.0128459700000000 ] - [ 0.0005079500000000, 0.0014035800000000, -0.0027227800000000 ] - [ -0.0005079500000000, 0.0014035800000000, 0.0027227800000000 ] - [ 0.0000000000000000, 0.0123386300000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0016042500000000, 0.0000000000000000 ] - [ -0.0003500600000000, 0.0040036700000000, 0.0013215800000000 ] - [ -0.0006230500000000, 0.0031946100000000, -0.0005121800000000 ] - [ 0.0003500600000000, 0.0040036700000000, -0.0013215800000000 ] - [ 0.0006230500000000, 0.0031946100000000, 0.0005121800000000 ] - [ -0.0090670000000000, 0.0171905100000000, 0.0174091600000000 ] - [ 0.0026119300000000, 0.0005871200000000, 0.0010954400000000 ] - [ 0.0090670000000000, 0.0171905100000000, -0.0174091600000000 ] - [ -0.0026119300000000, 0.0005871200000000, -0.0010954400000000 ] - [ 0.0000000000000000, -0.0006586500000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0022288800000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.3302764700000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0031723300000000, 0.0000000000000000 ] - [ -0.0006947600000000, -0.0060219000000000, 0.0006114100000000 ] - [ 0.0009339100000000, -0.0043862500000000, -0.0011138200000000 ] - [ 0.0006947600000000, -0.0060219000000000, -0.0006114100000000 ] - [ -0.0009339100000000, -0.0043862500000000, 0.0011138200000000 ] - [ 0.0176725800000000, 0.0191271500000000, -0.0312025800000000 ] - [ -0.0020988200000000, -0.0008505200000000, 0.0007463800000000 ] - [ -0.0176725800000000, 0.0191271500000000, 0.0312025800000000 ] - [ 0.0020988200000000, -0.0008505200000000, -0.0007463800000000 ] - [ 0.0000000000000000, -0.0005657700000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0015905400000000, 0.0000000000000000 ] - [ 0.0001017100000000, 0.0092253900000000, -0.0014797200000000 ] - [ -0.0001017100000000, 0.0092253900000000, 0.0014797200000000 ] - [ -0.0001968700000000, 0.0026627200000000, -0.0007446100000000 ] - [ 0.0014080400000000, 0.0082978400000000, -0.0011058200000000 ] - [ -0.0014080400000000, 0.0082978400000000, 0.0011058200000000 ] - [ 0.0001968700000000, 0.0026627200000000, 0.0007446100000000 ] - [ 0.0120045800000000, 0.0179785200000000, 0.0105507800000000 ] - [ -0.0038435000000000, 0.0022731300000000, 0.0017463900000000 ] - [ 0.0038435000000000, 0.0022731300000000, -0.0017463900000000 ] - [ -0.0120045800000000, 0.0179785200000000, -0.0105507800000000 ] - [ -0.0001915000000000, -0.0014848100000000, 0.0013097800000000 ] - [ 0.0001915000000000, -0.0014848100000000, -0.0013097800000000 ]- atom: 121 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0161588400000000, -0.0016666500000000, 0.0106570100000000 ] - [ 0.0001930500000000, -0.0021916800000000, -0.0003469000000000 ] - [ -0.0002785200000000, -0.0002900700000000, -0.0000597100000000 ] - [ 0.0014981800000000, -0.0000517900000000, 0.0033928400000000 ] - [ 0.0018398800000000, -0.0020559400000000, -0.0079566300000000 ] - [ -0.0004125700000000, -0.0001892800000000, 0.0002316100000000 ] - [ 0.0161588400000000, -0.0016666500000000, -0.0106570100000000 ] - [ -0.0001930500000000, -0.0021916800000000, 0.0003469000000000 ] - [ -0.0018398800000000, -0.0020559400000000, 0.0079566300000000 ] - [ 0.0004125700000000, -0.0001892800000000, -0.0002316100000000 ] - [ 0.0002785200000000, -0.0002900700000000, 0.0000597100000000 ] - [ -0.0014981800000000, -0.0000517900000000, -0.0033928400000000 ] - [ 0.0032628200000000, -0.0050100200000000, -0.0021639100000000 ] - [ -0.0027707000000000, -0.0032541300000000, -0.0008137900000000 ] - [ -0.0064960500000000, -0.0543582200000000, -0.0499113000000000 ] - [ -0.0000349100000000, -0.0011352200000000, -0.0007911100000000 ] - [ -0.0006804000000000, -0.0009125600000000, 0.0005666900000000 ] - [ 0.0002528700000000, -0.0006945200000000, -0.0016574300000000 ] - [ 0.0064960500000000, -0.0543582200000000, 0.0499113000000000 ] - [ 0.0000349100000000, -0.0011352200000000, 0.0007911100000000 ] - [ -0.0032628200000000, -0.0050100200000000, 0.0021639100000000 ] - [ 0.0027707000000000, -0.0032541300000000, 0.0008137900000000 ] - [ 0.0006804000000000, -0.0009125600000000, -0.0005666900000000 ] - [ -0.0002528700000000, -0.0006945200000000, 0.0016574300000000 ] - [ -0.0010361200000000, 0.0066491700000000, -0.0013209600000000 ] - [ -0.0001129600000000, 0.0004669100000000, 0.0006891800000000 ] - [ -0.0077108200000000, 0.0056452600000000, 0.0031752400000000 ] - [ 0.0026980900000000, 0.0007077000000000, 0.0007365800000000 ] - [ 0.0004220300000000, 0.0002816800000000, 0.0000408700000000 ] - [ -0.0007903100000000, 0.0011980300000000, 0.0007983800000000 ] - [ 0.0077108200000000, 0.0056452600000000, -0.0031752400000000 ] - [ -0.0026980900000000, 0.0007077000000000, -0.0007365800000000 ] - [ 0.0010361200000000, 0.0066491700000000, 0.0013209600000000 ] - [ 0.0001129600000000, 0.0004669100000000, -0.0006891800000000 ] - [ -0.0004220300000000, 0.0002816800000000, -0.0000408700000000 ] - [ 0.0007903100000000, 0.0011980300000000, -0.0007983800000000 ] - [ 0.0914219800000000, -0.0978716700000000, -0.0208984600000000 ] - [ 0.0018890300000000, -0.0007637200000000, -0.0005781600000000 ] - [ 0.0018181800000000, -0.0048389600000000, -0.0045366300000000 ] - [ 0.0005613100000000, -0.0016415200000000, -0.0013630400000000 ] - [ 0.0007479100000000, -0.0012355500000000, -0.0003733600000000 ] - [ 0.0004494900000000, -0.0028891400000000, 0.0003430600000000 ] - [ -0.0914219800000000, -0.0978716700000000, 0.0208984600000000 ] - [ -0.0018890300000000, -0.0007637200000000, 0.0005781600000000 ] - [ -0.0007479100000000, -0.0012355500000000, 0.0003733600000000 ] - [ -0.0004494900000000, -0.0028891400000000, -0.0003430600000000 ] - [ -0.0018181800000000, -0.0048389600000000, 0.0045366300000000 ] - [ -0.0005613100000000, -0.0016415200000000, 0.0013630400000000 ] - [ -0.0018106700000000, 0.0081381200000000, 0.0004748200000000 ] - [ 0.0000527500000000, 0.0011651100000000, 0.0003405100000000 ] - [ -0.0000452500000000, 0.0015262000000000, -0.0035636600000000 ] - [ -0.0004816500000000, 0.0005559100000000, -0.0003923700000000 ] - [ -0.0001201400000000, 0.0009629500000000, 0.0013067600000000 ] - [ 0.0006568900000000, 0.0036691900000000, 0.0050685100000000 ] - [ 0.0018106700000000, 0.0081381200000000, -0.0004748200000000 ] - [ -0.0000527500000000, 0.0011651100000000, -0.0003405100000000 ] - [ 0.0001201400000000, 0.0009629500000000, -0.0013067600000000 ] - [ -0.0006568900000000, 0.0036691900000000, -0.0050685100000000 ] - [ 0.0000452500000000, 0.0015262000000000, 0.0035636600000000 ] - [ 0.0004816500000000, 0.0005559100000000, 0.0003923700000000 ] - [ -0.0000959300000000, 0.0052978200000000, 0.0022701500000000 ] - [ -0.0000027700000000, 0.0011060900000000, 0.0008469500000000 ] - [ 0.0017805800000000, 0.0030773000000000, 0.0003150900000000 ] - [ -0.0014587800000000, 0.0027053300000000, 0.0011176700000000 ] - [ 0.0000338400000000, 0.0003933600000000, 0.0000181700000000 ] - [ 0.0008320100000000, 0.0006474500000000, 0.0001991000000000 ] - [ -0.0017805800000000, 0.0030773000000000, -0.0003150900000000 ] - [ 0.0014587800000000, 0.0027053300000000, -0.0011176700000000 ] - [ 0.0000959300000000, 0.0052978200000000, -0.0022701500000000 ] - [ 0.0000027700000000, 0.0011060900000000, -0.0008469500000000 ] - [ -0.0000338400000000, 0.0003933600000000, -0.0000181700000000 ] - [ -0.0008320100000000, 0.0006474500000000, -0.0001991000000000 ] - [ -0.0068382700000000, 0.0020642800000000, 0.0030204700000000 ] - [ 0.0062365400000000, 0.0009911000000000, 0.0040634900000000 ] - [ -0.0070243700000000, 0.0076548200000000, -0.0125881200000000 ] - [ 0.0007046700000000, -0.0008958100000000, -0.0002898300000000 ] - [ 0.0005118300000000, -0.0005247800000000, 0.0001743000000000 ] - [ 0.0002559600000000, -0.0021257200000000, -0.0000311100000000 ] - [ 0.0070243700000000, 0.0076548200000000, 0.0125881200000000 ] - [ -0.0007046700000000, -0.0008958100000000, 0.0002898300000000 ] - [ 0.0068382700000000, 0.0020642800000000, -0.0030204700000000 ] - [ -0.0062365400000000, 0.0009911000000000, -0.0040634900000000 ] - [ -0.0005118300000000, -0.0005247800000000, -0.0001743000000000 ] - [ -0.0002559600000000, -0.0021257200000000, 0.0000311100000000 ] - [ -0.0030895100000000, 0.0067600100000000, 0.0002976500000000 ] - [ -0.0003520600000000, 0.0018458700000000, 0.0005771900000000 ] - [ -0.0011948900000000, 0.0011904600000000, 0.0000456800000000 ] - [ -0.0006559900000000, 0.0039839000000000, 0.0016171300000000 ] - [ -0.0014874200000000, 0.0028312300000000, -0.0010317900000000 ] - [ -0.0004182300000000, 0.0011549000000000, 0.0000891600000000 ] - [ 0.0030895100000000, 0.0067600100000000, -0.0002976500000000 ] - [ 0.0003520600000000, 0.0018458700000000, -0.0005771900000000 ] - [ 0.0014874200000000, 0.0028312300000000, 0.0010317900000000 ] - [ 0.0004182300000000, 0.0011549000000000, -0.0000891600000000 ] - [ 0.0011948900000000, 0.0011904600000000, -0.0000456800000000 ] - [ 0.0006559900000000, 0.0039839000000000, -0.0016171300000000 ] - [ -0.0148234300000000, 0.0202499300000000, -0.0017209200000000 ] - [ 0.0148234300000000, 0.0202499300000000, 0.0017209200000000 ] - [ 0.0001300500000000, 0.0014145900000000, 0.0007855000000000 ] - [ -0.0004064000000000, 0.0135869500000000, -0.0042438000000000 ] - [ 0.0004064000000000, 0.0135869500000000, 0.0042438000000000 ] - [ -0.0001300500000000, 0.0014145900000000, -0.0007855000000000 ] - [ 0.0123305900000000, -0.0131620700000000, 0.0126791400000000 ] - [ -0.0037833900000000, 0.0005148800000000, -0.0002451500000000 ] - [ 0.0037833900000000, 0.0005148800000000, 0.0002451500000000 ] - [ -0.0123305900000000, -0.0131620700000000, -0.0126791400000000 ] - [ -0.0005120600000000, -0.0016311500000000, 0.0027179200000000 ] - [ 0.0005120600000000, -0.0016311500000000, -0.0027179200000000 ] - [ 0.0000000000000000, -0.0120652900000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0013815000000000, 0.0000000000000000 ] - [ 0.0003435200000000, -0.0037740900000000, -0.0013131400000000 ] - [ 0.0006313900000000, -0.0029797400000000, 0.0005177200000000 ] - [ -0.0003435200000000, -0.0037740900000000, 0.0013131400000000 ] - [ -0.0006313900000000, -0.0029797400000000, -0.0005177200000000 ] - [ 0.0091412600000000, -0.0173868800000000, -0.0173844500000000 ] - [ -0.0026150000000000, -0.0007994500000000, -0.0010937700000000 ] - [ -0.0091412600000000, -0.0173868800000000, 0.0173844500000000 ] - [ 0.0026150000000000, -0.0007994500000000, 0.0010937700000000 ] - [ 0.0000000000000000, 0.0004416900000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0020200400000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.3352651500000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0040797200000000, 0.0000000000000000 ] - [ 0.0007180800000000, 0.0069229100000000, -0.0006125700000000 ] - [ -0.0009522100000000, 0.0053092900000000, 0.0011195700000000 ] - [ -0.0007180800000000, 0.0069229100000000, 0.0006125700000000 ] - [ 0.0009522100000000, 0.0053092900000000, -0.0011195700000000 ] - [ -0.0176107300000000, -0.0200583400000000, 0.0308619900000000 ] - [ 0.0020975900000000, -0.0000765700000000, -0.0007475400000000 ] - [ 0.0176107300000000, -0.0200583400000000, -0.0308619900000000 ] - [ -0.0020975900000000, -0.0000765700000000, 0.0007475400000000 ] - [ 0.0000000000000000, -0.0003600000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0025331500000000, 0.0000000000000000 ] - [ -0.0001203300000000, -0.0082824800000000, 0.0014790000000000 ] - [ 0.0001203300000000, -0.0082824800000000, -0.0014790000000000 ] - [ 0.0001886600000000, -0.0017460200000000, 0.0007504800000000 ] - [ -0.0014084800000000, -0.0073697300000000, 0.0011267500000000 ] - [ 0.0014084800000000, -0.0073697300000000, -0.0011267500000000 ] - [ -0.0001886600000000, -0.0017460200000000, -0.0007504800000000 ] - [ -0.0121299500000000, -0.0189528900000000, -0.0104800400000000 ] - [ 0.0038380200000000, -0.0031656800000000, -0.0017536000000000 ] - [ -0.0038380200000000, -0.0031656800000000, 0.0017536000000000 ] - [ 0.0121299500000000, -0.0189528900000000, 0.0104800400000000 ] - [ 0.0002000200000000, 0.0005800000000000, -0.0013121000000000 ] - [ -0.0002000200000000, 0.0005800000000000, 0.0013121000000000 ]- atom: 121 displacement: [ -0.0066287943301843, 0.0000000000000000, 0.0074872615640244 ] forces: - [ 0.0085342200000000, -0.0202038800000000, 0.0054492500000000 ] - [ 0.0042172200000000, 0.0020846300000000, 0.0029788500000000 ] - [ 0.0025578800000000, -0.0012983700000000, -0.0036465800000000 ] - [ -0.0051966300000000, -0.0026528000000000, -0.0064087000000000 ] - [ 0.0031004000000000, -0.0000751200000000, -0.0098016700000000 ] - [ 0.0001956400000000, 0.0006304000000000, -0.0009463700000000 ] - [ 0.0089283800000000, 0.0203681800000000, 0.0055287300000000 ] - [ 0.0045142200000000, -0.0018380400000000, 0.0031200200000000 ] - [ 0.0033921000000000, 0.0003281300000000, -0.0096911700000000 ] - [ 0.0004917300000000, -0.0003838100000000, -0.0008143500000000 ] - [ 0.0028474900000000, 0.0015386200000000, -0.0035003600000000 ] - [ -0.0049153300000000, 0.0029023400000000, -0.0062987600000000 ] - [ 0.0053040700000000, -0.0004764200000000, -0.0057040300000000 ] - [ -0.0011745700000000, -0.0012766300000000, 0.0054303500000000 ] - [ -0.0075864800000000, 0.0269801000000000, 0.0769244800000000 ] - [ 0.0020626600000000, 0.0002307800000000, 0.0004340400000000 ] - [ 0.0019437400000000, -0.0016140900000000, -0.0051551000000000 ] - [ -0.0015344600000000, 0.0006452400000000, -0.0044636600000000 ] - [ -0.0085436800000000, -0.0258149000000000, 0.0737348700000000 ] - [ 0.0017662400000000, -0.0004743000000000, 0.0002949000000000 ] - [ 0.0050378500000000, 0.0002333900000000, -0.0058558000000000 ] - [ -0.0014618200000000, 0.0010336700000000, 0.0052879400000000 ] - [ 0.0016499500000000, 0.0013702400000000, -0.0052904600000000 ] - [ -0.0018323000000000, -0.0008908700000000, -0.0045930400000000 ] - [ -0.0060454600000000, 0.0109790900000000, 0.0029413400000000 ] - [ 0.0026165200000000, -0.0005478500000000, 0.0005076100000000 ] - [ 0.0099785800000000, -0.0075065400000000, -0.0033238000000000 ] - [ -0.0023758700000000, 0.0000158500000000, 0.0008849600000000 ] - [ 0.0026973700000000, -0.0008027900000000, -0.0012841300000000 ] - [ -0.0016974400000000, 0.0002689100000000, -0.0002865700000000 ] - [ 0.0098692700000000, 0.0073927400000000, -0.0040537400000000 ] - [ -0.0025106200000000, -0.0001368700000000, 0.0001596600000000 ] - [ -0.0061954700000000, -0.0111120700000000, 0.0022082900000000 ] - [ 0.0025030000000000, 0.0004304800000000, -0.0002205500000000 ] - [ 0.0025834100000000, 0.0006865000000000, -0.0020146600000000 ] - [ -0.0018076200000000, -0.0003815600000000, -0.0010145100000000 ] - [ -0.0987016500000000, 0.0725426600000000, 0.0331175800000000 ] - [ 0.0066421700000000, -0.0002149600000000, 0.0001484600000000 ] - [ 0.0046243700000000, -0.0000699300000000, -0.0054204300000000 ] - [ 0.0001668600000000, 0.0004745900000000, -0.0003815000000000 ] - [ 0.0049361300000000, -0.0023770300000000, -0.0026062800000000 ] - [ -0.0054978800000000, 0.0004009200000000, -0.0009845300000000 ] - [ -0.1022598600000000, -0.0759604400000000, 0.0342243500000000 ] - [ 0.0067563000000000, 0.0003322800000000, 0.0008744300000000 ] - [ 0.0050557000000000, 0.0024961400000000, -0.0018779600000000 ] - [ -0.0053731700000000, -0.0002793900000000, -0.0002609600000000 ] - [ 0.0047431300000000, 0.0002015700000000, -0.0046851900000000 ] - [ 0.0002845100000000, -0.0003545500000000, 0.0003450100000000 ] - [ 0.0000142100000000, -0.0043790500000000, 0.0066066700000000 ] - [ 0.0011041400000000, 0.0007567100000000, 0.0014998500000000 ] - [ -0.0005067500000000, 0.0012096700000000, -0.0041282200000000 ] - [ 0.0001958300000000, -0.0008210700000000, -0.0014869500000000 ] - [ 0.0009417400000000, -0.0006156000000000, -0.0021299600000000 ] - [ -0.0019296000000000, 0.0001271000000000, -0.0006527600000000 ] - [ 0.0002994100000000, 0.0045965400000000, 0.0067333800000000 ] - [ 0.0013973700000000, -0.0005117800000000, 0.0016320000000000 ] - [ 0.0012341700000000, 0.0008646400000000, -0.0020006700000000 ] - [ -0.0016405100000000, 0.0001136100000000, -0.0004968300000000 ] - [ -0.0002150500000000, -0.0009669700000000, -0.0040006100000000 ] - [ 0.0004883400000000, 0.0010666000000000, -0.0013540200000000 ] - [ -0.0022075300000000, -0.0010048100000000, 0.0010120200000000 ] - [ 0.0018470000000000, -0.0008914200000000, -0.0002975600000000 ] - [ 0.0015890100000000, 0.0008267900000000, 0.0013018100000000 ] - [ -0.0003402200000000, 0.0008569900000000, 0.0022264800000000 ] - [ 0.0010860100000000, -0.0005278500000000, -0.0023204500000000 ] - [ -0.0008002000000000, -0.0003866200000000, -0.0013841400000000 ] - [ 0.0012991900000000, -0.0010784200000000, 0.0011732400000000 ] - [ -0.0006300800000000, -0.0011013900000000, 0.0020929500000000 ] - [ -0.0024981700000000, 0.0007632600000000, 0.0008681700000000 ] - [ 0.0015540500000000, 0.0006450100000000, -0.0004308900000000 ] - [ 0.0007917400000000, 0.0002814600000000, -0.0024547100000000 ] - [ -0.0010938500000000, 0.0001414600000000, -0.0015227400000000 ] - [ 0.0088215400000000, -0.0052712700000000, -0.0025082500000000 ] - [ -0.0009925300000000, 0.0065235100000000, 0.0072662800000000 ] - [ -0.0171889800000000, 0.0142646200000000, 0.0012304900000000 ] - [ 0.0034267600000000, -0.0012897500000000, -0.0001060500000000 ] - [ 0.0017772100000000, -0.0000734700000000, -0.0014142100000000 ] - [ -0.0004356400000000, -0.0025849800000000, -0.0022297300000000 ] - [ -0.0171855400000000, -0.0142508900000000, 0.0005178500000000 ] - [ 0.0032981600000000, 0.0011670100000000, -0.0008320600000000 ] - [ 0.0086960200000000, 0.0051579500000000, -0.0032347200000000 ] - [ -0.0010885300000000, -0.0066452600000000, 0.0065503200000000 ] - [ 0.0016614000000000, -0.0000423500000000, -0.0021388800000000 ] - [ -0.0005608800000000, 0.0024564400000000, -0.0029541200000000 ] - [ -0.0011390900000000, -0.0019082700000000, 0.0030967100000000 ] - [ 0.0019069400000000, 0.0003930600000000, 0.0006001000000000 ] - [ 0.0029567700000000, -0.0011194500000000, -0.0016253300000000 ] - [ -0.0024636100000000, 0.0002471200000000, -0.0009048700000000 ] - [ -0.0013260500000000, 0.0017503000000000, -0.0017584700000000 ] - [ 0.0009628100000000, -0.0010322200000000, -0.0012947600000000 ] - [ -0.0010229600000000, 0.0020101500000000, 0.0038140000000000 ] - [ 0.0020219000000000, -0.0002830200000000, 0.0013304600000000 ] - [ -0.0012232900000000, -0.0016478400000000, -0.0010321600000000 ] - [ 0.0010891800000000, 0.0011530700000000, -0.0005675900000000 ] - [ 0.0030700200000000, 0.0012312100000000, -0.0008964700000000 ] - [ -0.0023474000000000, -0.0001329000000000, -0.0001728700000000 ] - [ -0.0342284400000000, 0.0008894800000000, -0.0103700300000000 ] - [ -0.0341019600000000, -0.0007439200000000, -0.0102952500000000 ] - [ -0.0033861300000000, 0.0013542400000000, 0.0028504700000000 ] - [ 0.0063577700000000, -0.0088963000000000, 0.0247633900000000 ] - [ 0.0063057600000000, 0.0091511200000000, 0.0246973800000000 ] - [ -0.0033779100000000, -0.0011309400000000, 0.0028543000000000 ] - [ 0.0203641300000000, -0.0067805100000000, -0.0117062000000000 ] - [ -0.0077088800000000, -0.0005884600000000, 0.0005652100000000 ] - [ -0.0077247800000000, 0.0003681300000000, 0.0005614700000000 ] - [ 0.0203288200000000, 0.0065311600000000, -0.0116698600000000 ] - [ 0.0003264200000000, -0.0030741700000000, 0.0054186500000000 ] - [ 0.0003366200000000, 0.0028561200000000, 0.0054326400000000 ] - [ 0.0060179700000000, 0.0001245000000000, -0.0084773400000000 ] - [ -0.0035851400000000, 0.0001110300000000, -0.0007147900000000 ] - [ -0.0019003100000000, 0.0020872500000000, 0.0041038100000000 ] - [ 0.0017269800000000, 0.0009077900000000, 0.0002868100000000 ] - [ -0.0019000800000000, -0.0018516300000000, 0.0040995400000000 ] - [ 0.0017279400000000, -0.0006849700000000, 0.0002850200000000 ] - [ -0.0035211000000000, 0.0209828400000000, 0.0139186900000000 ] - [ -0.0025818800000000, 0.0001350800000000, -0.0009420000000000 ] - [ -0.0035360500000000, -0.0212345600000000, 0.0138814300000000 ] - [ -0.0025856000000000, -0.0003572100000000, -0.0009387600000000 ] - [ -0.0027680300000000, -0.0001147900000000, 0.0042578200000000 ] - [ 0.0035435700000000, -0.0001121700000000, 0.0018731600000000 ] - [ 0.2575716800000000, 0.0023890800000000, -0.2785079400000000 ] - [ -0.0089522000000000, 0.0004528500000000, 0.0002302400000000 ] - [ -0.0113244000000000, -0.0004798200000000, 0.0110319600000000 ] - [ 0.0050163600000000, 0.0019180100000000, 0.0001121000000000 ] - [ -0.0113058400000000, 0.0013765300000000, 0.0110098200000000 ] - [ 0.0050277600000000, -0.0010026800000000, 0.0001098800000000 ] - [ -0.0214076500000000, -0.0352632100000000, 0.0290415300000000 ] - [ -0.0019622600000000, 0.0014984300000000, -0.0029927100000000 ] - [ -0.0214387900000000, 0.0345980700000000, 0.0292553300000000 ] - [ -0.0019739500000000, -0.0024049300000000, -0.0029786400000000 ] - [ -0.0066412400000000, -0.0004514300000000, 0.0064008200000000 ] - [ 0.0039743200000000, -0.0004629700000000, 0.0073747900000000 ] - [ -0.0017957900000000, 0.0016444500000000, -0.0041959500000000 ] - [ -0.0017969300000000, -0.0007181900000000, -0.0041996000000000 ] - [ -0.0039313500000000, 0.0008871600000000, 0.0027416000000000 ] - [ 0.0036753400000000, 0.0022269600000000, 0.0025213400000000 ] - [ 0.0036675400000000, -0.0013123600000000, 0.0025110000000000 ] - [ -0.0039241600000000, 0.0000275100000000, 0.0027452400000000 ] - [ 0.0163851900000000, -0.0005757000000000, -0.0171376100000000 ] - [ -0.0082515400000000, 0.0033992900000000, 0.0015203100000000 ] - [ -0.0082502400000000, -0.0043103600000000, 0.0015186100000000 ] - [ 0.0164382500000000, -0.0003173400000000, -0.0172439600000000 ] - [ -0.0014628600000000, 0.0006546500000000, 0.0045794600000000 ] - [ -0.0014521200000000, -0.0015650100000000, 0.0045848000000000 ]