# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/aaa65919-a804-45ef-aea5-4d62b0fe8914/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 Na2Nb4O11 / R-3c (167) / materials id 540706](https://mdr.nims.go.jp/datasets/9c544c30-9233-4d33-8243-32d75657d6f6) ## Fulltext phonopy: version: 2.17.1 frequency_unit_conversion_factor: 15.633302 symmetry_tolerance: 1.00000e-05 configuration: save_params: ".true."physical_unit: atomic_mass: "AMU" length: "angstrom" force_constants: "eV/angstrom^2"space_group: type: "R-3c" number: 167 Hall_symbol: "-R 3 2\"c"primitive_matrix:- [ 0.666666666666667, -0.333333333333333, -0.333333333333333 ]- [ 0.333333333333333, 0.333333333333333, -0.666666666666667 ]- [ 0.333333333333333, 0.333333333333333, 0.333333333333333 ]supercell_matrix:- [ 1, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 3.122282366666669, 1.802650566666665, 12.351209203333321 ] # a - [ -3.122282373333330, 1.802650566666665, 12.351209203333321 ] # b - [ 0.000000006666670, -3.605301133333335, 12.351209203333321 ] # c points: - symbol: Nb # 1 coordinates: [ 0.884140770000000, 0.615859220000002, 0.250000000000000 ] mass: 92.906380 - symbol: Nb # 2 coordinates: [ 0.250000000000000, 0.884140770000002, 0.615859220000000 ] mass: 92.906380 - symbol: Nb # 3 coordinates: [ 0.115859230000000, 0.384140780000001, 0.750000000000000 ] mass: 92.906380 - symbol: Nb # 4 coordinates: [ 0.750000000000000, 0.115859230000001, 0.384140780000000 ] mass: 92.906380 - symbol: Nb # 5 coordinates: [ 0.615859220000000, 0.250000000000002, 0.884140770000000 ] mass: 92.906380 - symbol: Nb # 6 coordinates: [ 0.384140780000000, 0.750000000000001, 0.115859230000000 ] mass: 92.906380 - symbol: Nb # 7 coordinates: [ 0.500000000000000, 0.500000000000002, 0.500000000000000 ] mass: 92.906380 - symbol: Nb # 8 coordinates: [ 0.000000000000000, 0.999999990000001, 0.000000000000000 ] mass: 92.906380 - symbol: Na # 9 coordinates: [ 0.665237040000000, 0.665237050000001, 0.665237040000000 ] mass: 22.989769 - symbol: Na # 10 coordinates: [ 0.834762950000000, 0.834762960000002, 0.834762950000000 ] mass: 22.989769 - symbol: Na # 11 coordinates: [ 0.334762960000000, 0.334762950000002, 0.334762960000000 ] mass: 22.989769 - symbol: Na # 12 coordinates: [ 0.165237050000000, 0.165237040000001, 0.165237050000000 ] mass: 22.989769 - symbol: O # 13 coordinates: [ 0.776589080000000, 0.561795710000002, 0.253887680000000 ] mass: 15.999400 - symbol: O # 14 coordinates: [ 0.246112310000000, 0.938204290000002, 0.723410910000000 ] mass: 15.999400 - symbol: O # 15 coordinates: [ 0.223410920000000, 0.438204290000001, 0.746112320000000 ] mass: 15.999400 - symbol: O # 16 coordinates: [ 0.753887690000000, 0.061795710000001, 0.276589090000000 ] mass: 15.999400 - symbol: O # 17 coordinates: [ 0.938204290000000, 0.723410910000002, 0.246112310000000 ] mass: 15.999400 - symbol: O # 18 coordinates: [ 0.253887680000000, 0.776589080000002, 0.561795710000000 ] mass: 15.999400 - symbol: O # 19 coordinates: [ 0.061795710000000, 0.276589090000001, 0.753887690000000 ] mass: 15.999400 - symbol: O # 20 coordinates: [ 0.746112320000000, 0.223410920000001, 0.438204290000000 ] mass: 15.999400 - symbol: O # 21 coordinates: [ 0.561795710000000, 0.253887680000002, 0.776589080000000 ] mass: 15.999400 - symbol: O # 22 coordinates: [ 0.723410910000000, 0.246112310000002, 0.938204290000000 ] mass: 15.999400 - symbol: O # 23 coordinates: [ 0.438204290000000, 0.746112320000001, 0.223410920000000 ] mass: 15.999400 - symbol: O # 24 coordinates: [ 0.276589090000000, 0.753887690000001, 0.061795710000000 ] mass: 15.999400 - symbol: O # 25 coordinates: [ 0.250000000000000, 0.500711890000002, 0.999288100000000 ] mass: 15.999400 - symbol: O # 26 coordinates: [ 0.500711890000000, 0.999288100000002, 0.250000000000000 ] mass: 15.999400 - symbol: O # 27 coordinates: [ 0.750000000000000, 0.499288110000001, 0.000711900000000 ] mass: 15.999400 - symbol: O # 28 coordinates: [ 0.499288110000000, 0.000711900000001, 0.750000000000000 ] mass: 15.999400 - symbol: O # 29 coordinates: [ 0.594931430000000, 0.594931430000002, 0.594931430000000 ] mass: 15.999400 - symbol: O # 30 coordinates: [ 0.905068570000000, 0.905068580000002, 0.905068570000000 ] mass: 15.999400 - symbol: O # 31 coordinates: [ 0.405068570000000, 0.405068570000001, 0.405068570000000 ] mass: 15.999400 - symbol: O # 32 coordinates: [ 0.094931430000000, 0.094931420000001, 0.094931430000000 ] mass: 15.999400 - symbol: O # 33 coordinates: [ 0.999288100000000, 0.250000000000002, 0.500711890000000 ] mass: 15.999400 - symbol: O # 34 coordinates: [ 0.000711900000000, 0.750000000000001, 0.499288110000000 ] mass: 15.999400 reciprocal_lattice: # without 2pi - [ 0.160139263765564, 0.092456447346117, 0.026987910887573 ] # a* - [ -0.160139263765564, 0.092456446753880, 0.026987910887573 ] # b* - [ 0.000000000000000, -0.184912894099997, 0.026987910887573 ] # c*unit_cell: lattice: - [ 6.244564740000000, 0.000000000000000, 0.000000000000000 ] # a - [ -3.122282380000000, 5.407951700000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 37.053627609999999 ] # c points: - symbol: Nb # 1 coordinates: [ 0.300807440000000, 0.333333330000000, 0.583333330000000 ] mass: 92.906380 reduced_to: 1 - symbol: Nb # 2 coordinates: [ 0.666666670000000, 0.967474110000000, 0.583333330000000 ] mass: 92.906380 reduced_to: 2 - symbol: Nb # 3 coordinates: [ 0.699192560000000, 0.666666670000000, 0.416666670000000 ] mass: 92.906380 reduced_to: 3 - symbol: Nb # 4 coordinates: [ 0.333333330000000, 0.032525890000000, 0.416666670000000 ] mass: 92.906380 reduced_to: 4 - symbol: Nb # 5 coordinates: [ 0.032525890000000, 0.699192560000000, 0.583333330000000 ] mass: 92.906380 reduced_to: 5 - symbol: Nb # 6 coordinates: [ 0.967474110000000, 0.300807440000000, 0.416666670000000 ] mass: 92.906380 reduced_to: 6 - symbol: Nb # 7 coordinates: [ 0.000000000000000, 0.000000000000000, 0.500000000000000 ] mass: 92.906380 reduced_to: 7 - symbol: Nb # 8 coordinates: [ 0.666666670000000, 0.333333330000000, 0.333333330000000 ] mass: 92.906380 reduced_to: 8 - symbol: Nb # 9 coordinates: [ 0.967474110000000, 0.666666670000000, 0.916666670000000 ] mass: 92.906380 reduced_to: 1 - symbol: Nb # 10 coordinates: [ 0.333333330000000, 0.300807440000000, 0.916666670000000 ] mass: 92.906380 reduced_to: 2 - symbol: Nb # 11 coordinates: [ 0.365859230000000, 0.000000000000000, 0.750000000000000 ] mass: 92.906380 reduced_to: 3 - symbol: Nb # 12 coordinates: [ 0.000000000000000, 0.365859230000000, 0.750000000000000 ] mass: 92.906380 reduced_to: 4 - symbol: Nb # 13 coordinates: [ 0.699192560000000, 0.032525890000000, 0.916666670000000 ] mass: 92.906380 reduced_to: 5 - symbol: Nb # 14 coordinates: [ 0.634140770000000, 0.634140770000000, 0.750000000000000 ] mass: 92.906380 reduced_to: 6 - symbol: Nb # 15 coordinates: [ 0.666666670000000, 0.333333330000000, 0.833333330000000 ] mass: 92.906380 reduced_to: 7 - symbol: Nb # 16 coordinates: [ 0.333333330000000, 0.666666670000000, 0.666666670000000 ] mass: 92.906380 reduced_to: 8 - symbol: Nb # 17 coordinates: [ 0.634140770000000, 0.000000000000000, 0.250000000000000 ] mass: 92.906380 reduced_to: 1 - symbol: Nb # 18 coordinates: [ 0.000000000000000, 0.634140770000000, 0.250000000000000 ] mass: 92.906380 reduced_to: 2 - symbol: Nb # 19 coordinates: [ 0.032525890000000, 0.333333330000000, 0.083333330000000 ] mass: 92.906380 reduced_to: 3 - symbol: Nb # 20 coordinates: [ 0.666666670000000, 0.699192560000000, 0.083333330000000 ] mass: 92.906380 reduced_to: 4 - symbol: Nb # 21 coordinates: [ 0.365859230000000, 0.365859230000000, 0.250000000000000 ] mass: 92.906380 reduced_to: 5 - symbol: Nb # 22 coordinates: [ 0.300807440000000, 0.967474110000000, 0.083333330000000 ] mass: 92.906380 reduced_to: 6 - symbol: Nb # 23 coordinates: [ 0.333333330000000, 0.666666670000000, 0.166666670000000 ] mass: 92.906380 reduced_to: 7 - symbol: Nb # 24 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 92.906380 reduced_to: 8 - symbol: Na # 25 coordinates: [ 0.333333330000000, 0.666666670000000, 0.331903710000000 ] mass: 22.989769 reduced_to: 25 - symbol: Na # 26 coordinates: [ 0.333333330000000, 0.666666670000000, 0.501429620000000 ] mass: 22.989769 reduced_to: 26 - symbol: Na # 27 coordinates: [ 0.666666670000000, 0.333333330000000, 0.668096290000000 ] mass: 22.989769 reduced_to: 27 - symbol: Na # 28 coordinates: [ 0.666666670000000, 0.333333330000000, 0.498570380000000 ] mass: 22.989769 reduced_to: 28 - symbol: Na # 29 coordinates: [ 0.000000000000000, 0.000000000000000, 0.665237040000000 ] mass: 22.989769 reduced_to: 25 - symbol: Na # 30 coordinates: [ 0.000000000000000, 0.000000000000000, 0.834762960000000 ] mass: 22.989769 reduced_to: 26 - symbol: Na # 31 coordinates: [ 0.333333330000000, 0.666666670000000, 0.001429620000000 ] mass: 22.989769 reduced_to: 27 - symbol: Na # 32 coordinates: [ 0.333333330000000, 0.666666670000000, 0.831903710000000 ] mass: 22.989769 reduced_to: 28 - symbol: Na # 33 coordinates: [ 0.666666670000000, 0.333333330000000, 0.998570380000000 ] mass: 22.989769 reduced_to: 25 - symbol: Na # 34 coordinates: [ 0.666666670000000, 0.333333330000000, 0.168096290000000 ] mass: 22.989769 reduced_to: 26 - symbol: Na # 35 coordinates: [ 0.000000000000000, 0.000000000000000, 0.334762960000000 ] mass: 22.989769 reduced_to: 27 - symbol: Na # 36 coordinates: [ 0.000000000000000, 0.000000000000000, 0.165237040000000 ] mass: 22.989769 reduced_to: 28 - symbol: O # 37 coordinates: [ 0.245831590000000, 0.276869810000000, 0.530757490000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 38 coordinates: [ 0.610203140000000, 0.912498260000000, 0.635909170000000 ] mass: 15.999400 reduced_to: 38 - symbol: O # 39 coordinates: [ 0.754168410000000, 0.723130190000000, 0.469242510000000 ] mass: 15.999400 reduced_to: 39 - symbol: O # 40 coordinates: [ 0.389796860000000, 0.087501740000000, 0.364090830000000 ] mass: 15.999400 reduced_to: 40 - symbol: O # 41 coordinates: [ 0.302295120000000, 0.389796860000000, 0.635909170000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 42 coordinates: [ 0.723130190000000, 0.968961780000000, 0.530757490000000 ] mass: 15.999400 reduced_to: 42 - symbol: O # 43 coordinates: [ 0.697704880000000, 0.610203140000000, 0.364090830000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 44 coordinates: [ 0.276869810000000, 0.031038220000000, 0.469242510000000 ] mass: 15.999400 reduced_to: 44 - symbol: O # 45 coordinates: [ 0.031038220000000, 0.754168410000000, 0.530757490000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 46 coordinates: [ 0.087501740000000, 0.697704880000000, 0.635909170000000 ] mass: 15.999400 reduced_to: 46 - symbol: O # 47 coordinates: [ 0.968961780000000, 0.245831590000000, 0.469242510000000 ] mass: 15.999400 reduced_to: 47 - symbol: O # 48 coordinates: [ 0.912498260000000, 0.302295120000000, 0.364090830000000 ] mass: 15.999400 reduced_to: 48 - symbol: O # 49 coordinates: [ 0.666666670000000, 0.584045230000000, 0.583333330000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 50 coordinates: [ 0.917378560000000, 0.333333330000000, 0.583333330000000 ] mass: 15.999400 reduced_to: 50 - symbol: O # 51 coordinates: [ 0.333333330000000, 0.415954770000000, 0.416666670000000 ] mass: 15.999400 reduced_to: 51 - symbol: O # 52 coordinates: [ 0.082621440000000, 0.666666670000000, 0.416666670000000 ] mass: 15.999400 reduced_to: 52 - symbol: O # 53 coordinates: [ 0.000000000000000, 0.000000000000000, 0.594931430000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 54 coordinates: [ 0.333333330000000, 0.666666670000000, 0.571735240000000 ] mass: 15.999400 reduced_to: 54 - symbol: O # 55 coordinates: [ 0.000000000000000, 0.000000000000000, 0.405068570000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 56 coordinates: [ 0.666666670000000, 0.333333330000000, 0.428264760000000 ] mass: 15.999400 reduced_to: 56 - symbol: O # 57 coordinates: [ 0.415954770000000, 0.082621440000000, 0.583333330000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 58 coordinates: [ 0.584045230000000, 0.917378560000000, 0.416666670000000 ] mass: 15.999400 reduced_to: 58 - symbol: O # 59 coordinates: [ 0.912498260000000, 0.610203140000000, 0.864090830000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 60 coordinates: [ 0.276869810000000, 0.245831590000000, 0.969242510000000 ] mass: 15.999400 reduced_to: 38 - symbol: O # 61 coordinates: [ 0.420835080000000, 0.056463530000000, 0.802575840000000 ] mass: 15.999400 reduced_to: 39 - symbol: O # 62 coordinates: [ 0.056463530000000, 0.420835080000000, 0.697424160000000 ] mass: 15.999400 reduced_to: 40 - symbol: O # 63 coordinates: [ 0.968961780000000, 0.723130190000000, 0.969242510000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 64 coordinates: [ 0.389796860000000, 0.302295120000000, 0.864090830000000 ] mass: 15.999400 reduced_to: 42 - symbol: O # 65 coordinates: [ 0.364371550000000, 0.943536470000000, 0.697424160000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 66 coordinates: [ 0.943536470000000, 0.364371550000000, 0.802575840000000 ] mass: 15.999400 reduced_to: 44 - symbol: O # 67 coordinates: [ 0.697704880000000, 0.087501740000000, 0.864090830000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 68 coordinates: [ 0.754168410000000, 0.031038220000000, 0.969242510000000 ] mass: 15.999400 reduced_to: 46 - symbol: O # 69 coordinates: [ 0.635628450000000, 0.579164920000000, 0.802575840000000 ] mass: 15.999400 reduced_to: 47 - symbol: O # 70 coordinates: [ 0.579164920000000, 0.635628450000000, 0.697424160000000 ] mass: 15.999400 reduced_to: 48 - symbol: O # 71 coordinates: [ 0.333333330000000, 0.917378560000000, 0.916666670000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 72 coordinates: [ 0.584045230000000, 0.666666670000000, 0.916666670000000 ] mass: 15.999400 reduced_to: 50 - symbol: O # 73 coordinates: [ 0.000000000000000, 0.749288110000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 51 - symbol: O # 74 coordinates: [ 0.749288110000000, 0.000000000000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 52 - symbol: O # 75 coordinates: [ 0.666666670000000, 0.333333330000000, 0.928264760000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 76 coordinates: [ 0.000000000000000, 0.000000000000000, 0.905068570000000 ] mass: 15.999400 reduced_to: 54 - symbol: O # 77 coordinates: [ 0.666666670000000, 0.333333330000000, 0.738401910000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 78 coordinates: [ 0.333333330000000, 0.666666670000000, 0.761598090000000 ] mass: 15.999400 reduced_to: 56 - symbol: O # 79 coordinates: [ 0.082621440000000, 0.415954770000000, 0.916666670000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 80 coordinates: [ 0.250711890000000, 0.250711890000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 58 - symbol: O # 81 coordinates: [ 0.579164920000000, 0.943536470000000, 0.197424160000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 82 coordinates: [ 0.943536470000000, 0.579164920000000, 0.302575840000000 ] mass: 15.999400 reduced_to: 38 - symbol: O # 83 coordinates: [ 0.087501740000000, 0.389796860000000, 0.135909170000000 ] mass: 15.999400 reduced_to: 39 - symbol: O # 84 coordinates: [ 0.723130190000000, 0.754168410000000, 0.030757490000000 ] mass: 15.999400 reduced_to: 40 - symbol: O # 85 coordinates: [ 0.635628450000000, 0.056463530000000, 0.302575840000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 86 coordinates: [ 0.056463530000000, 0.635628450000000, 0.197424160000000 ] mass: 15.999400 reduced_to: 42 - symbol: O # 87 coordinates: [ 0.031038220000000, 0.276869810000000, 0.030757490000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 88 coordinates: [ 0.610203140000000, 0.697704880000000, 0.135909170000000 ] mass: 15.999400 reduced_to: 44 - symbol: O # 89 coordinates: [ 0.364371550000000, 0.420835080000000, 0.197424160000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 90 coordinates: [ 0.420835080000000, 0.364371550000000, 0.302575840000000 ] mass: 15.999400 reduced_to: 46 - symbol: O # 91 coordinates: [ 0.302295120000000, 0.912498260000000, 0.135909170000000 ] mass: 15.999400 reduced_to: 47 - symbol: O # 92 coordinates: [ 0.245831590000000, 0.968961780000000, 0.030757490000000 ] mass: 15.999400 reduced_to: 48 - symbol: O # 93 coordinates: [ 0.000000000000000, 0.250711890000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 94 coordinates: [ 0.250711890000000, 0.000000000000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 50 - symbol: O # 95 coordinates: [ 0.666666670000000, 0.082621440000000, 0.083333330000000 ] mass: 15.999400 reduced_to: 51 - symbol: O # 96 coordinates: [ 0.415954770000000, 0.333333330000000, 0.083333330000000 ] mass: 15.999400 reduced_to: 52 - symbol: O # 97 coordinates: [ 0.333333330000000, 0.666666670000000, 0.261598090000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 98 coordinates: [ 0.666666670000000, 0.333333330000000, 0.238401910000000 ] mass: 15.999400 reduced_to: 54 - symbol: O # 99 coordinates: [ 0.333333330000000, 0.666666670000000, 0.071735240000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 100 coordinates: [ 0.000000000000000, 0.000000000000000, 0.094931430000000 ] mass: 15.999400 reduced_to: 56 - symbol: O # 101 coordinates: [ 0.749288110000000, 0.749288110000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 102 coordinates: [ 0.917378560000000, 0.584045230000000, 0.083333330000000 ] mass: 15.999400 reduced_to: 58supercell: lattice: - [ 6.244564740000000, 0.000000000000000, 0.000000000000000 ] # a - [ -3.122282380000000, 5.407951700000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 37.053627609999999 ] # c points: - symbol: Nb # 1 coordinates: [ 0.300807440000000, 0.333333330000000, 0.583333330000000 ] mass: 92.906380 reduced_to: 1 - symbol: Nb # 2 coordinates: [ 0.666666670000000, 0.967474110000000, 0.583333330000000 ] mass: 92.906380 reduced_to: 2 - symbol: Nb # 3 coordinates: [ 0.699192560000000, 0.666666670000000, 0.416666670000000 ] mass: 92.906380 reduced_to: 3 - symbol: Nb # 4 coordinates: [ 0.333333330000000, 0.032525890000000, 0.416666670000000 ] mass: 92.906380 reduced_to: 4 - symbol: Nb # 5 coordinates: [ 0.032525890000000, 0.699192560000000, 0.583333330000000 ] mass: 92.906380 reduced_to: 5 - symbol: Nb # 6 coordinates: [ 0.967474110000000, 0.300807440000000, 0.416666670000000 ] mass: 92.906380 reduced_to: 6 - symbol: Nb # 7 coordinates: [ 0.000000000000000, 0.000000000000000, 0.500000000000000 ] mass: 92.906380 reduced_to: 7 - symbol: Nb # 8 coordinates: [ 0.666666670000000, 0.333333330000000, 0.333333330000000 ] mass: 92.906380 reduced_to: 8 - symbol: Nb # 9 coordinates: [ 0.967474110000000, 0.666666670000000, 0.916666670000000 ] mass: 92.906380 reduced_to: 1 - symbol: Nb # 10 coordinates: [ 0.333333330000000, 0.300807440000000, 0.916666670000000 ] mass: 92.906380 reduced_to: 2 - symbol: Nb # 11 coordinates: [ 0.365859230000000, 0.000000000000000, 0.750000000000000 ] mass: 92.906380 reduced_to: 3 - symbol: Nb # 12 coordinates: [ 0.000000000000000, 0.365859230000000, 0.750000000000000 ] mass: 92.906380 reduced_to: 4 - symbol: Nb # 13 coordinates: [ 0.699192560000000, 0.032525890000000, 0.916666670000000 ] mass: 92.906380 reduced_to: 5 - symbol: Nb # 14 coordinates: [ 0.634140770000000, 0.634140770000000, 0.750000000000000 ] mass: 92.906380 reduced_to: 6 - symbol: Nb # 15 coordinates: [ 0.666666670000000, 0.333333330000000, 0.833333330000000 ] mass: 92.906380 reduced_to: 7 - symbol: Nb # 16 coordinates: [ 0.333333330000000, 0.666666670000000, 0.666666670000000 ] mass: 92.906380 reduced_to: 8 - symbol: Nb # 17 coordinates: [ 0.634140770000000, 0.000000000000000, 0.250000000000000 ] mass: 92.906380 reduced_to: 1 - symbol: Nb # 18 coordinates: [ 0.000000000000000, 0.634140770000000, 0.250000000000000 ] mass: 92.906380 reduced_to: 2 - symbol: Nb # 19 coordinates: [ 0.032525890000000, 0.333333330000000, 0.083333330000000 ] mass: 92.906380 reduced_to: 3 - symbol: Nb # 20 coordinates: [ 0.666666670000000, 0.699192560000000, 0.083333330000000 ] mass: 92.906380 reduced_to: 4 - symbol: Nb # 21 coordinates: [ 0.365859230000000, 0.365859230000000, 0.250000000000000 ] mass: 92.906380 reduced_to: 5 - symbol: Nb # 22 coordinates: [ 0.300807440000000, 0.967474110000000, 0.083333330000000 ] mass: 92.906380 reduced_to: 6 - symbol: Nb # 23 coordinates: [ 0.333333330000000, 0.666666670000000, 0.166666670000000 ] mass: 92.906380 reduced_to: 7 - symbol: Nb # 24 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 92.906380 reduced_to: 8 - symbol: Na # 25 coordinates: [ 0.333333330000000, 0.666666670000000, 0.331903710000000 ] mass: 22.989769 reduced_to: 25 - symbol: Na # 26 coordinates: [ 0.333333330000000, 0.666666670000000, 0.501429620000000 ] mass: 22.989769 reduced_to: 26 - symbol: Na # 27 coordinates: [ 0.666666670000000, 0.333333330000000, 0.668096290000000 ] mass: 22.989769 reduced_to: 27 - symbol: Na # 28 coordinates: [ 0.666666670000000, 0.333333330000000, 0.498570380000000 ] mass: 22.989769 reduced_to: 28 - symbol: Na # 29 coordinates: [ 0.000000000000000, 0.000000000000000, 0.665237040000000 ] mass: 22.989769 reduced_to: 25 - symbol: Na # 30 coordinates: [ 0.000000000000000, 0.000000000000000, 0.834762960000000 ] mass: 22.989769 reduced_to: 26 - symbol: Na # 31 coordinates: [ 0.333333330000000, 0.666666670000000, 0.001429620000000 ] mass: 22.989769 reduced_to: 27 - symbol: Na # 32 coordinates: [ 0.333333330000000, 0.666666670000000, 0.831903710000000 ] mass: 22.989769 reduced_to: 28 - symbol: Na # 33 coordinates: [ 0.666666670000000, 0.333333330000000, 0.998570380000000 ] mass: 22.989769 reduced_to: 25 - symbol: Na # 34 coordinates: [ 0.666666670000000, 0.333333330000000, 0.168096290000000 ] mass: 22.989769 reduced_to: 26 - symbol: Na # 35 coordinates: [ 0.000000000000000, 0.000000000000000, 0.334762960000000 ] mass: 22.989769 reduced_to: 27 - symbol: Na # 36 coordinates: [ 0.000000000000000, 0.000000000000000, 0.165237040000000 ] mass: 22.989769 reduced_to: 28 - symbol: O # 37 coordinates: [ 0.245831590000000, 0.276869810000000, 0.530757490000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 38 coordinates: [ 0.610203140000000, 0.912498260000000, 0.635909170000000 ] mass: 15.999400 reduced_to: 38 - symbol: O # 39 coordinates: [ 0.754168410000000, 0.723130190000000, 0.469242510000000 ] mass: 15.999400 reduced_to: 39 - symbol: O # 40 coordinates: [ 0.389796860000000, 0.087501740000000, 0.364090830000000 ] mass: 15.999400 reduced_to: 40 - symbol: O # 41 coordinates: [ 0.302295120000000, 0.389796860000000, 0.635909170000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 42 coordinates: [ 0.723130190000000, 0.968961780000000, 0.530757490000000 ] mass: 15.999400 reduced_to: 42 - symbol: O # 43 coordinates: [ 0.697704880000000, 0.610203140000000, 0.364090830000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 44 coordinates: [ 0.276869810000000, 0.031038220000000, 0.469242510000000 ] mass: 15.999400 reduced_to: 44 - symbol: O # 45 coordinates: [ 0.031038220000000, 0.754168410000000, 0.530757490000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 46 coordinates: [ 0.087501740000000, 0.697704880000000, 0.635909170000000 ] mass: 15.999400 reduced_to: 46 - symbol: O # 47 coordinates: [ 0.968961780000000, 0.245831590000000, 0.469242510000000 ] mass: 15.999400 reduced_to: 47 - symbol: O # 48 coordinates: [ 0.912498260000000, 0.302295120000000, 0.364090830000000 ] mass: 15.999400 reduced_to: 48 - symbol: O # 49 coordinates: [ 0.666666670000000, 0.584045230000000, 0.583333330000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 50 coordinates: [ 0.917378560000000, 0.333333330000000, 0.583333330000000 ] mass: 15.999400 reduced_to: 50 - symbol: O # 51 coordinates: [ 0.333333330000000, 0.415954770000000, 0.416666670000000 ] mass: 15.999400 reduced_to: 51 - symbol: O # 52 coordinates: [ 0.082621440000000, 0.666666670000000, 0.416666670000000 ] mass: 15.999400 reduced_to: 52 - symbol: O # 53 coordinates: [ 0.000000000000000, 0.000000000000000, 0.594931430000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 54 coordinates: [ 0.333333330000000, 0.666666670000000, 0.571735240000000 ] mass: 15.999400 reduced_to: 54 - symbol: O # 55 coordinates: [ 0.000000000000000, 0.000000000000000, 0.405068570000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 56 coordinates: [ 0.666666670000000, 0.333333330000000, 0.428264760000000 ] mass: 15.999400 reduced_to: 56 - symbol: O # 57 coordinates: [ 0.415954770000000, 0.082621440000000, 0.583333330000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 58 coordinates: [ 0.584045230000000, 0.917378560000000, 0.416666670000000 ] mass: 15.999400 reduced_to: 58 - symbol: O # 59 coordinates: [ 0.912498260000000, 0.610203140000000, 0.864090830000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 60 coordinates: [ 0.276869810000000, 0.245831590000000, 0.969242510000000 ] mass: 15.999400 reduced_to: 38 - symbol: O # 61 coordinates: [ 0.420835080000000, 0.056463530000000, 0.802575840000000 ] mass: 15.999400 reduced_to: 39 - symbol: O # 62 coordinates: [ 0.056463530000000, 0.420835080000000, 0.697424160000000 ] mass: 15.999400 reduced_to: 40 - symbol: O # 63 coordinates: [ 0.968961780000000, 0.723130190000000, 0.969242510000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 64 coordinates: [ 0.389796860000000, 0.302295120000000, 0.864090830000000 ] mass: 15.999400 reduced_to: 42 - symbol: O # 65 coordinates: [ 0.364371550000000, 0.943536470000000, 0.697424160000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 66 coordinates: [ 0.943536470000000, 0.364371550000000, 0.802575840000000 ] mass: 15.999400 reduced_to: 44 - symbol: O # 67 coordinates: [ 0.697704880000000, 0.087501740000000, 0.864090830000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 68 coordinates: [ 0.754168410000000, 0.031038220000000, 0.969242510000000 ] mass: 15.999400 reduced_to: 46 - symbol: O # 69 coordinates: [ 0.635628450000000, 0.579164920000000, 0.802575840000000 ] mass: 15.999400 reduced_to: 47 - symbol: O # 70 coordinates: [ 0.579164920000000, 0.635628450000000, 0.697424160000000 ] mass: 15.999400 reduced_to: 48 - symbol: O # 71 coordinates: [ 0.333333330000000, 0.917378560000000, 0.916666670000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 72 coordinates: [ 0.584045230000000, 0.666666670000000, 0.916666670000000 ] mass: 15.999400 reduced_to: 50 - symbol: O # 73 coordinates: [ 0.000000000000000, 0.749288110000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 51 - symbol: O # 74 coordinates: [ 0.749288110000000, 0.000000000000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 52 - symbol: O # 75 coordinates: [ 0.666666670000000, 0.333333330000000, 0.928264760000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 76 coordinates: [ 0.000000000000000, 0.000000000000000, 0.905068570000000 ] mass: 15.999400 reduced_to: 54 - symbol: O # 77 coordinates: [ 0.666666670000000, 0.333333330000000, 0.738401910000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 78 coordinates: [ 0.333333330000000, 0.666666670000000, 0.761598090000000 ] mass: 15.999400 reduced_to: 56 - symbol: O # 79 coordinates: [ 0.082621440000000, 0.415954770000000, 0.916666670000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 80 coordinates: [ 0.250711890000000, 0.250711890000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 58 - symbol: O # 81 coordinates: [ 0.579164920000000, 0.943536470000000, 0.197424160000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 82 coordinates: [ 0.943536470000000, 0.579164920000000, 0.302575840000000 ] mass: 15.999400 reduced_to: 38 - symbol: O # 83 coordinates: [ 0.087501740000000, 0.389796860000000, 0.135909170000000 ] mass: 15.999400 reduced_to: 39 - symbol: O # 84 coordinates: [ 0.723130190000000, 0.754168410000000, 0.030757490000000 ] mass: 15.999400 reduced_to: 40 - symbol: O # 85 coordinates: [ 0.635628450000000, 0.056463530000000, 0.302575840000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 86 coordinates: [ 0.056463530000000, 0.635628450000000, 0.197424160000000 ] mass: 15.999400 reduced_to: 42 - symbol: O # 87 coordinates: [ 0.031038220000000, 0.276869810000000, 0.030757490000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 88 coordinates: [ 0.610203140000000, 0.697704880000000, 0.135909170000000 ] mass: 15.999400 reduced_to: 44 - symbol: O # 89 coordinates: [ 0.364371550000000, 0.420835080000000, 0.197424160000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 90 coordinates: [ 0.420835080000000, 0.364371550000000, 0.302575840000000 ] mass: 15.999400 reduced_to: 46 - symbol: O # 91 coordinates: [ 0.302295120000000, 0.912498260000000, 0.135909170000000 ] mass: 15.999400 reduced_to: 47 - symbol: O # 92 coordinates: [ 0.245831590000000, 0.968961780000000, 0.030757490000000 ] mass: 15.999400 reduced_to: 48 - symbol: O # 93 coordinates: [ 0.000000000000000, 0.250711890000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 94 coordinates: [ 0.250711890000000, 0.000000000000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 50 - symbol: O # 95 coordinates: [ 0.666666670000000, 0.082621440000000, 0.083333330000000 ] mass: 15.999400 reduced_to: 51 - symbol: O # 96 coordinates: [ 0.415954770000000, 0.333333330000000, 0.083333330000000 ] mass: 15.999400 reduced_to: 52 - symbol: O # 97 coordinates: [ 0.333333330000000, 0.666666670000000, 0.261598090000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 98 coordinates: [ 0.666666670000000, 0.333333330000000, 0.238401910000000 ] mass: 15.999400 reduced_to: 54 - symbol: O # 99 coordinates: [ 0.333333330000000, 0.666666670000000, 0.071735240000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 100 coordinates: [ 0.000000000000000, 0.000000000000000, 0.094931430000000 ] mass: 15.999400 reduced_to: 56 - symbol: O # 101 coordinates: [ 0.749288110000000, 0.749288110000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 102 coordinates: [ 0.917378560000000, 0.584045230000000, 0.083333330000000 ] mass: 15.999400 reduced_to: 58displacements:- atom: 1 displacement: [ -0.0050000000122993, 0.0086602540307434, 0.0000000000000000 ] forces: - [ 0.0876116800000000, -0.2429803100000000, 0.0062859200000000 ] - [ -0.0201476400000000, 0.0543133300000000, 0.0023797300000000 ] - [ 0.0000386700000000, 0.0002782500000000, 0.0012277200000000 ] - [ -0.0000745800000000, 0.0000027100000000, 0.0010516700000000 ] - [ -0.0373924800000000, 0.0732027600000000, 0.0015633100000000 ] - [ 0.0000333400000000, -0.0000127400000000, 0.0007215600000000 ] - [ 0.0039336200000000, 0.0101495600000000, 0.0064646100000000 ] - [ -0.0000213000000000, 0.0000207100000000, 0.0015018200000000 ] - [ -0.0000022900000000, 0.0000921200000000, 0.0009757100000000 ] - [ -0.0000717600000000, -0.0000450600000000, 0.0009624900000000 ] - [ -0.0000793000000000, 0.0003479400000000, 0.0014640700000000 ] - [ -0.0000727900000000, 0.0000121300000000, 0.0008981000000000 ] - [ 0.0000768900000000, -0.0000409200000000, 0.0009599700000000 ] - [ 0.0000216200000000, -0.0000202600000000, 0.0006891800000000 ] - [ -0.0000156000000000, 0.0000108100000000, 0.0015095600000000 ] - [ -0.0012373700000000, 0.0167429900000000, 0.0094207300000000 ] - [ 0.0000004200000000, 0.0000909500000000, 0.0009855400000000 ] - [ -0.0000737200000000, -0.0000432000000000, 0.0009747800000000 ] - [ 0.0000022100000000, 0.0000871500000000, 0.0009943000000000 ] - [ -0.0000778700000000, -0.0000424700000000, 0.0009948400000000 ] - [ 0.0000752300000000, -0.0000427300000000, 0.0009788700000000 ] - [ 0.0000742400000000, -0.0000473300000000, 0.0009944600000000 ] - [ 0.0000010700000000, 0.0000010400000000, 0.0014773300000000 ] - [ -0.0000008300000000, 0.0000008100000000, 0.0014952300000000 ] - [ 0.0000026800000000, -0.0000016200000000, 0.0001513900000000 ] - [ -0.0001590600000000, 0.0010472100000000, -0.0053387900000000 ] - [ -0.0003303500000000, -0.0014084000000000, -0.0015317800000000 ] - [ -0.0012300800000000, -0.0014352600000000, 0.0011985700000000 ] - [ 0.0007342400000000, -0.0001691500000000, -0.0033765200000000 ] - [ -0.0000020800000000, -0.0000015400000000, 0.0002231500000000 ] - [ -0.0000005500000000, 0.0000019700000000, 0.0002883200000000 ] - [ 0.0000048600000000, 0.0000004100000000, 0.0001534400000000 ] - [ 0.0000005800000000, -0.0000022500000000, 0.0000340800000000 ] - [ -0.0000021700000000, -0.0000005100000000, 0.0001671500000000 ] - [ -0.0000007900000000, 0.0000001800000000, 0.0002233100000000 ] - [ 0.0000020400000000, 0.0000005400000000, 0.0000978900000000 ] - [ -0.0058023100000000, -0.0005389400000000, 0.0002770200000000 ] - [ -0.0026133900000000, -0.0112865600000000, 0.0099491000000000 ] - [ -0.0005512100000000, -0.0013354100000000, -0.0011097200000000 ] - [ -0.0001103400000000, 0.0006908700000000, -0.0009474800000000 ] - [ -0.0051457000000000, 0.0017536800000000, 0.0156250800000000 ] - [ -0.0021370400000000, -0.0058845900000000, -0.0010992400000000 ] - [ 0.0006695800000000, -0.0003625900000000, -0.0010356800000000 ] - [ -0.0001146300000000, -0.0007271400000000, -0.0003669800000000 ] - [ 0.0065994900000000, -0.0094035200000000, 0.0069602400000000 ] - [ 0.0034844800000000, -0.0069654300000000, -0.0009280900000000 ] - [ -0.0003958000000000, -0.0002448900000000, -0.0003646500000000 ] - [ -0.0005469400000000, -0.0004597700000000, -0.0008758200000000 ] - [ -0.0163201200000000, 0.0073732500000000, -0.0014301400000000 ] - [ 0.0197119400000000, 0.0134703300000000, 0.0008396000000000 ] - [ -0.0001308700000000, 0.0001099800000000, -0.0001576900000000 ] - [ 0.0001876400000000, -0.0000389600000000, -0.0001665900000000 ] - [ 0.0100312700000000, 0.0491353200000000, -0.0164064300000000 ] - [ -0.0247021100000000, 0.0473026700000000, -0.0265181500000000 ] - [ -0.0000076100000000, 0.0000166100000000, -0.0005475700000000 ] - [ 0.0001075200000000, -0.0000469700000000, 0.0001319600000000 ] - [ -0.0143608400000000, 0.0113814900000000, -0.0014773900000000 ] - [ -0.0001691200000000, -0.0001723600000000, -0.0001933200000000 ] - [ -0.0006779900000000, -0.0002871000000000, -0.0009554700000000 ] - [ 0.0004072200000000, -0.0002763300000000, -0.0004506000000000 ] - [ 0.0004347600000000, -0.0003206600000000, -0.0005385700000000 ] - [ -0.0000876800000000, 0.0002424400000000, -0.0009291800000000 ] - [ -0.0004403800000000, -0.0002132100000000, -0.0004564700000000 ] - [ 0.0005779900000000, -0.0004439000000000, -0.0009288600000000 ] - [ 0.0013399800000000, -0.0022523200000000, -0.0015709000000000 ] - [ -0.0000098800000000, 0.0004548500000000, -0.0004855100000000 ] - [ 0.0001006700000000, 0.0007164400000000, -0.0009272500000000 ] - [ 0.0000366200000000, 0.0004917900000000, -0.0004501200000000 ] - [ -0.0003937500000000, -0.0003177900000000, -0.0004561700000000 ] - [ -0.0006435100000000, -0.0014636500000000, -0.0004130900000000 ] - [ 0.0001167800000000, -0.0001502500000000, -0.0001769600000000 ] - [ -0.0001862800000000, -0.0000317900000000, -0.0001774800000000 ] - [ 0.0000703000000000, 0.0001710800000000, -0.0001509100000000 ] - [ 0.0001335500000000, 0.0000181300000000, -0.0001684100000000 ] - [ -0.0000012400000000, 0.0000012600000000, 0.0001208900000000 ] - [ 0.0000028700000000, -0.0000012900000000, -0.0005157100000000 ] - [ -0.0000925500000000, -0.0000858200000000, -0.0004804800000000 ] - [ -0.0000421800000000, 0.0000289500000000, 0.0001369400000000 ] - [ 0.0000664700000000, 0.0001779600000000, -0.0001778500000000 ] - [ -0.0000205500000000, -0.0003165000000000, -0.0000820200000000 ] - [ -0.0006678100000000, -0.0002707500000000, -0.0008608100000000 ] - [ 0.0004114800000000, -0.0002667700000000, -0.0004730700000000 ] - [ 0.0004369800000000, -0.0002206600000000, -0.0004016100000000 ] - [ -0.0000961000000000, 0.0007279700000000, -0.0008881400000000 ] - [ -0.0004266500000000, -0.0002293500000000, -0.0004959200000000 ] - [ 0.0005693100000000, -0.0004405100000000, -0.0008543400000000 ] - [ 0.0006762200000000, -0.0002849100000000, -0.0008853200000000 ] - [ -0.0000305300000000, 0.0004854700000000, -0.0004036500000000 ] - [ 0.0001011700000000, 0.0007145400000000, -0.0008555100000000 ] - [ 0.0000240900000000, 0.0004843900000000, -0.0004772600000000 ] - [ -0.0004095400000000, -0.0002699700000000, -0.0004018300000000 ] - [ -0.0005835700000000, -0.0004477900000000, -0.0008868800000000 ] - [ 0.0001150300000000, -0.0001389600000000, -0.0001402300000000 ] - [ -0.0001779100000000, -0.0000315000000000, -0.0001401500000000 ] - [ -0.0000668900000000, 0.0001789000000000, -0.0001013900000000 ] - [ 0.0001874000000000, -0.0000292400000000, -0.0001015400000000 ] - [ -0.0000021300000000, -0.0000011300000000, 0.0001699300000000 ] - [ 0.0000000500000000, 0.0000003900000000, -0.0004944300000000 ] - [ 0.0000007200000000, 0.0000002100000000, -0.0004446900000000 ] - [ -0.0000009000000000, -0.0000001900000000, 0.0001926900000000 ] - [ 0.0000633500000000, 0.0001676800000000, -0.0001394500000000 ] - [ -0.0001196400000000, -0.0001470000000000, -0.0001019500000000 ]- atom: 1 displacement: [ 0.0050000000122993, -0.0086602540307434, 0.0000000000000000 ] forces: - [ -0.0873941600000000, 0.2423285600000000, -0.0057392600000000 ] - [ 0.0212192300000000, -0.0541130000000000, -0.0022907800000000 ] - [ -0.0000270300000000, -0.0002836600000000, -0.0012687100000000 ] - [ 0.0000702100000000, 0.0000042300000000, -0.0010771700000000 ] - [ 0.0358262800000000, -0.0737273200000000, -0.0013163100000000 ] - [ -0.0000405900000000, 0.0000112200000000, -0.0007735800000000 ] - [ -0.0038008400000000, -0.0099217200000000, -0.0064428000000000 ] - [ 0.0000203000000000, -0.0000242000000000, -0.0014804400000000 ] - [ -0.0000050600000000, -0.0000904600000000, -0.0010140400000000 ] - [ 0.0000774600000000, 0.0000417700000000, -0.0010025200000000 ] - [ 0.0000812300000000, -0.0003448900000000, -0.0014615500000000 ] - [ 0.0000721600000000, -0.0000173900000000, -0.0009019100000000 ] - [ -0.0000737200000000, 0.0000474100000000, -0.0009986300000000 ] - [ -0.0000252000000000, 0.0000190100000000, -0.0007192600000000 ] - [ 0.0000134500000000, -0.0000031600000000, -0.0014883700000000 ] - [ 0.0014093400000000, -0.0171056700000000, -0.0094486400000000 ] - [ 0.0000008300000000, -0.0000900900000000, -0.0009964000000000 ] - [ 0.0000767200000000, 0.0000443900000000, -0.0009867700000000 ] - [ 0.0000029200000000, -0.0000893200000000, -0.0009768900000000 ] - [ 0.0000740400000000, 0.0000464700000000, -0.0009758100000000 ] - [ -0.0000746700000000, 0.0000447200000000, -0.0009903000000000 ] - [ -0.0000788700000000, 0.0000406900000000, -0.0009763200000000 ] - [ 0.0000001600000000, -0.0000010500000000, -0.0015292800000000 ] - [ 0.0000009900000000, -0.0000015400000000, -0.0015113500000000 ] - [ -0.0000011000000000, -0.0000025800000000, -0.0001663200000000 ] - [ 0.0001653900000000, -0.0010722400000000, 0.0054913700000000 ] - [ 0.0003023700000000, 0.0014341200000000, 0.0015631000000000 ] - [ 0.0012152300000000, 0.0014521600000000, -0.0014645500000000 ] - [ -0.0007320200000000, 0.0001880800000000, 0.0032732900000000 ] - [ -0.0000022600000000, 0.0000002300000000, -0.0000959900000000 ] - [ -0.0000007000000000, 0.0000019800000000, -0.0000355500000000 ] - [ -0.0000001500000000, -0.0000002000000000, -0.0001693900000000 ] - [ 0.0000007700000000, -0.0000017200000000, -0.0002902700000000 ] - [ -0.0000021200000000, -0.0000000300000000, -0.0001565500000000 ] - [ 0.0000001800000000, 0.0000043400000000, -0.0000971700000000 ] - [ 0.0000020100000000, 0.0000006900000000, -0.0002267900000000 ] - [ 0.0049010700000000, 0.0005444500000000, 0.0000751500000000 ] - [ 0.0030618000000000, 0.0104299400000000, -0.0095432900000000 ] - [ 0.0016713000000000, 0.0013894800000000, 0.0015717300000000 ] - [ -0.0003966700000000, 0.0002967800000000, 0.0004136200000000 ] - [ 0.0043950200000000, -0.0020880400000000, -0.0154904900000000 ] - [ 0.0026116000000000, 0.0048741100000000, 0.0007527700000000 ] - [ 0.0004349700000000, 0.0003024100000000, 0.0005153000000000 ] - [ -0.0005061500000000, 0.0016412700000000, 0.0007725400000000 ] - [ -0.0059762900000000, 0.0103166900000000, -0.0073564000000000 ] - [ -0.0029269100000000, 0.0080264400000000, 0.0013537000000000 ] - [ -0.0000945900000000, -0.0007732500000000, 0.0008219300000000 ] - [ -0.0000564200000000, -0.0004748500000000, 0.0003502000000000 ] - [ 0.0167635200000000, -0.0071596300000000, 0.0014992100000000 ] - [ -0.0211688400000000, -0.0132280900000000, -0.0007899800000000 ] - [ -0.0000568000000000, 0.0002168800000000, 0.0000838000000000 ] - [ 0.0001881500000000, 0.0000351700000000, 0.0000913500000000 ] - [ -0.0111341400000000, -0.0503652200000000, 0.0175881900000000 ] - [ 0.0223563400000000, -0.0425927100000000, 0.0244598000000000 ] - [ 0.0000074500000000, -0.0000175200000000, -0.0001587200000000 ] - [ -0.0001054400000000, 0.0000473700000000, 0.0004319400000000 ] - [ 0.0183686200000000, -0.0140110100000000, 0.0015835300000000 ] - [ -0.0000169100000000, -0.0001527500000000, 0.0001211600000000 ] - [ -0.0004290300000000, 0.0002336900000000, 0.0004254900000000 ] - [ 0.0000936500000000, -0.0007299000000000, 0.0008936900000000 ] - [ 0.0006652700000000, 0.0003609800000000, 0.0009172000000000 ] - [ -0.0004324100000000, 0.0007471500000000, 0.0005481300000000 ] - [ -0.0006779200000000, 0.0002893100000000, 0.0008952800000000 ] - [ 0.0000269200000000, -0.0004841700000000, 0.0004047100000000 ] - [ -0.0002428500000000, 0.0022046200000000, 0.0011524800000000 ] - [ -0.0005846200000000, 0.0004704500000000, 0.0008660600000000 ] - [ 0.0004080900000000, 0.0002715000000000, 0.0003994700000000 ] - [ 0.0005850600000000, 0.0004471400000000, 0.0008919700000000 ] - [ -0.0001185400000000, -0.0006645700000000, 0.0008471100000000 ] - [ 0.0000599700000000, 0.0005613800000000, 0.0000774800000000 ] - [ 0.0000684600000000, -0.0001763300000000, 0.0001028000000000 ] - [ -0.0001873900000000, 0.0000297600000000, 0.0001029300000000 ] - [ -0.0002440800000000, 0.0001396300000000, 0.0001520800000000 ] - [ 0.0002220600000000, -0.0000101800000000, 0.0001704800000000 ] - [ -0.0000011200000000, -0.0000001900000000, 0.0004461100000000 ] - [ -0.0000000500000000, 0.0000019700000000, -0.0001905300000000 ] - [ 0.0000933900000000, 0.0000837800000000, -0.0001831300000000 ] - [ 0.0000410200000000, -0.0000312400000000, 0.0005312000000000 ] - [ 0.0001223200000000, 0.0001450800000000, 0.0001032700000000 ] - [ -0.0001544700000000, 0.0000088200000000, 0.0000835800000000 ] - [ -0.0004305500000000, 0.0002313900000000, 0.0004891500000000 ] - [ 0.0000999400000000, -0.0007110200000000, 0.0008586400000000 ] - [ 0.0006734400000000, 0.0002784600000000, 0.0009457400000000 ] - [ -0.0004103700000000, 0.0002739400000000, 0.0004574100000000 ] - [ -0.0006723800000000, 0.0002827600000000, 0.0008768700000000 ] - [ 0.0000198700000000, -0.0004853200000000, 0.0004881300000000 ] - [ 0.0004400500000000, 0.0002143500000000, 0.0004607900000000 ] - [ -0.0005801300000000, 0.0004409500000000, 0.0009427800000000 ] - [ 0.0004147800000000, 0.0002611300000000, 0.0004879800000000 ] - [ 0.0005687200000000, 0.0004494600000000, 0.0008594200000000 ] - [ -0.0000957700000000, -0.0007236000000000, 0.0009442900000000 ] - [ -0.0000332600000000, -0.0004925700000000, 0.0004594700000000 ] - [ 0.0000607400000000, -0.0001702800000000, 0.0001406100000000 ] - [ -0.0001765900000000, 0.0000300600000000, 0.0001415000000000 ] - [ -0.0001193700000000, 0.0001486600000000, 0.0001796000000000 ] - [ 0.0001869600000000, 0.0000319200000000, 0.0001795100000000 ] - [ 0.0000006700000000, 0.0000011400000000, 0.0004959700000000 ] - [ -0.0000003800000000, -0.0000000800000000, -0.0001693600000000 ] - [ 0.0000008800000000, 0.0000000600000000, -0.0001193100000000 ] - [ -0.0000008600000000, -0.0000001200000000, 0.0005183200000000 ] - [ 0.0001132400000000, 0.0001394400000000, 0.0001404500000000 ] - [ -0.0000668600000000, -0.0001771400000000, 0.0001790700000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0008808300000000, 0.0068943900000000, -0.3114870100000000 ] - [ -0.0023861200000000, -0.0003459400000000, -0.0752471300000000 ] - [ 0.0002031400000000, 0.0015707700000000, 0.0127104300000000 ] - [ -0.0008924400000000, -0.0003547200000000, 0.0129453100000000 ] - [ 0.0022791700000000, -0.0002791200000000, -0.0753092900000000 ] - [ 0.0010724300000000, -0.0001878200000000, 0.0129373400000000 ] - [ 0.0350067300000000, 0.0794766100000000, 0.0263666700000000 ] - [ 0.0000956300000000, -0.0002946500000000, 0.0194465100000000 ] - [ 0.0000128400000000, 0.0011455200000000, 0.0127482400000000 ] - [ -0.0009857200000000, -0.0005627100000000, 0.0127193500000000 ] - [ -0.0002230800000000, 0.0015599000000000, 0.0127163200000000 ] - [ -0.0010615400000000, -0.0002079100000000, 0.0129791300000000 ] - [ 0.0009762000000000, -0.0005700300000000, 0.0126777300000000 ] - [ 0.0009052400000000, -0.0003349200000000, 0.0129701600000000 ] - [ -0.0000970000000000, -0.0002972400000000, 0.0194456200000000 ] - [ -0.0351806300000000, 0.0799448100000000, 0.0266254200000000 ] - [ 0.0000102900000000, 0.0011474900000000, 0.0127618200000000 ] - [ -0.0009902500000000, -0.0005511600000000, 0.0126920400000000 ] - [ -0.0000102000000000, 0.0011372500000000, 0.0127441000000000 ] - [ -0.0009808800000000, -0.0005783300000000, 0.0127448500000000 ] - [ 0.0009756000000000, -0.0005828000000000, 0.0127325800000000 ] - [ 0.0009901500000000, -0.0005591000000000, 0.0127442200000000 ] - [ 0.0000058200000000, 0.0000033300000000, 0.0194010900000000 ] - [ -0.0000045800000000, 0.0000037900000000, 0.0194190200000000 ] - [ -0.0000170000000000, -0.0000001300000000, 0.0020824400000000 ] - [ 0.0028069000000000, -0.0070477600000000, 0.0020000600000000 ] - [ 0.0058955800000000, -0.0002830100000000, 0.0010404200000000 ] - [ -0.0058235100000000, -0.0002845600000000, 0.0008433800000000 ] - [ -0.0028484600000000, -0.0071507200000000, 0.0018810000000000 ] - [ 0.0000162400000000, 0.0000012700000000, 0.0021734600000000 ] - [ -0.0000003400000000, 0.0000021600000000, 0.0022321400000000 ] - [ -0.0000014500000000, 0.0000158400000000, 0.0020788100000000 ] - [ 0.0000009700000000, -0.0000018200000000, 0.0019537600000000 ] - [ -0.0000018300000000, -0.0000006300000000, 0.0021150300000000 ] - [ 0.0000041200000000, 0.0000179100000000, 0.0021708000000000 ] - [ 0.0000016700000000, 0.0000007300000000, 0.0020184000000000 ] - [ -0.0073465700000000, -0.0195738100000000, 0.0796342000000000 ] - [ -0.0056771000000000, -0.0189238300000000, 0.0378893700000000 ] - [ -0.0030134800000000, -0.0085655100000000, -0.0078139300000000 ] - [ 0.0016382100000000, 0.0032938600000000, -0.0092099000000000 ] - [ 0.0056201100000000, -0.0183414600000000, 0.0877873500000000 ] - [ -0.0177859000000000, -0.0052356400000000, 0.0366016900000000 ] - [ 0.0019257100000000, -0.0033570800000000, -0.0087182300000000 ] - [ 0.0021439600000000, -0.0042393500000000, -0.0094282400000000 ] - [ 0.0062251000000000, -0.0178493300000000, 0.0372604100000000 ] - [ 0.0184173700000000, -0.0043663700000000, 0.0372060200000000 ] - [ -0.0052654400000000, -0.0019947000000000, -0.0098178400000000 ] - [ -0.0039858100000000, -0.0003293200000000, -0.0090461900000000 ] - [ 0.0050003900000000, 0.0004959900000000, 0.0216206400000000 ] - [ -0.0000622600000000, 0.0017094100000000, 0.0218644900000000 ] - [ 0.0001240000000000, 0.0000533800000000, -0.0018055000000000 ] - [ 0.0001013500000000, -0.0005516300000000, -0.0020063000000000 ] - [ -0.0065888100000000, -0.0195664300000000, 0.0243842000000000 ] - [ 0.0067969900000000, -0.0200366100000000, 0.0240250600000000 ] - [ 0.0000933000000000, 0.0000005600000000, -0.0024964700000000 ] - [ 0.0003030300000000, 0.0000191500000000, -0.0018270500000000 ] - [ -0.0052454400000000, 0.0010901700000000, 0.0216625800000000 ] - [ -0.0006586900000000, -0.0002309700000000, -0.0018139500000000 ] - [ -0.0020904800000000, -0.0032558000000000, -0.0090255100000000 ] - [ 0.0022865100000000, 0.0024446900000000, -0.0084640600000000 ] - [ -0.0008344700000000, -0.0033265600000000, -0.0082386300000000 ] - [ 0.0047416700000000, -0.0010907500000000, -0.0102794500000000 ] - [ 0.0009769800000000, -0.0032036500000000, -0.0084718500000000 ] - [ 0.0038536900000000, -0.0001496600000000, -0.0089681600000000 ] - [ 0.0040757800000000, -0.0085463800000000, -0.0082043800000000 ] - [ 0.0034174500000000, 0.0006019000000000, -0.0085773400000000 ] - [ -0.0017417700000000, 0.0034050000000000, -0.0089097000000000 ] - [ -0.0032562100000000, 0.0007592400000000, -0.0084553800000000 ] - [ -0.0021679300000000, 0.0023399600000000, -0.0087335000000000 ] - [ -0.0026727700000000, -0.0052015700000000, -0.0098593400000000 ] - [ 0.0004234800000000, 0.0000271500000000, -0.0018492000000000 ] - [ -0.0001838300000000, -0.0003999800000000, -0.0018504800000000 ] - [ 0.0004680100000000, 0.0000857400000000, -0.0017758700000000 ] - [ 0.0002704000000000, -0.0005519100000000, -0.0019690600000000 ] - [ -0.0000035300000000, 0.0000041100000000, -0.0018132600000000 ] - [ 0.0000092700000000, -0.0000027800000000, -0.0024581800000000 ] - [ -0.0003006700000000, 0.0000223100000000, -0.0024576900000000 ] - [ -0.0000906000000000, -0.0000015200000000, -0.0018004700000000 ] - [ -0.0002463600000000, 0.0003639700000000, -0.0018510600000000 ] - [ -0.0003084500000000, -0.0002630100000000, -0.0017710500000000 ] - [ -0.0020690500000000, -0.0032294100000000, -0.0089010800000000 ] - [ 0.0022670700000000, 0.0024463600000000, -0.0084337600000000 ] - [ -0.0009788500000000, -0.0032076700000000, -0.0084102000000000 ] - [ 0.0017666800000000, 0.0034205800000000, -0.0089251700000000 ] - [ 0.0010012400000000, -0.0032286700000000, -0.0085502100000000 ] - [ 0.0038265400000000, -0.0001741000000000, -0.0088809100000000 ] - [ 0.0020763800000000, -0.0032417400000000, -0.0089208700000000 ] - [ 0.0032656100000000, 0.0007537100000000, -0.0084092200000000 ] - [ -0.0017591500000000, 0.0034065000000000, -0.0088889400000000 ] - [ -0.0032872000000000, 0.0007811400000000, -0.0084940900000000 ] - [ -0.0022901600000000, 0.0024511100000000, -0.0084080600000000 ] - [ -0.0038456000000000, -0.0001818800000000, -0.0089222400000000 ] - [ 0.0004317600000000, 0.0000457000000000, -0.0018141500000000 ] - [ -0.0001824300000000, -0.0003972300000000, -0.0018134000000000 ] - [ 0.0002469100000000, 0.0003621400000000, -0.0017750600000000 ] - [ 0.0001896100000000, -0.0003917000000000, -0.0017754000000000 ] - [ -0.0000084200000000, -0.0000044000000000, -0.0017609200000000 ] - [ 0.0000005400000000, 0.0000038500000000, -0.0024402200000000 ] - [ -0.0000010600000000, 0.0000001100000000, -0.0023926600000000 ] - [ -0.0000009900000000, 0.0000004900000000, -0.0017384100000000 ] - [ -0.0002390800000000, 0.0003452700000000, -0.0018123500000000 ] - [ -0.0004310800000000, 0.0000321500000000, -0.0017756800000000 ]- atom: 7 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0025483100000000, 0.0030037100000000, 0.0351296400000000 ] - [ 0.0152713000000000, 0.0034188800000000, -0.0863023200000000 ] - [ -0.0025410800000000, 0.0029879400000000, 0.0350566100000000 ] - [ 0.0153629800000000, 0.0034316600000000, -0.0868481600000000 ] - [ 0.0067606200000000, -0.0122706700000000, 0.0515462600000000 ] - [ 0.0067535100000000, -0.0122447900000000, 0.0514161700000000 ] - [ -0.2102732300000000, -0.0000012500000000, 0.0000515200000000 ] - [ 0.0049473600000000, 0.0071826000000000, 0.0000183400000000 ] - [ -0.0000037300000000, 0.0000021700000000, -0.0000095500000000 ] - [ 0.0000040500000000, -0.0000019900000000, -0.0000196600000000 ] - [ 0.0000356000000000, 0.0000032800000000, -0.0000965900000000 ] - [ 0.0000299000000000, -0.0000187500000000, 0.0003044100000000 ] - [ 0.0000029300000000, 0.0000032900000000, -0.0000140500000000 ] - [ 0.0000133200000000, -0.0000039500000000, -0.0002068000000000 ] - [ -0.0000265100000000, 0.0000004300000000, 0.0000183700000000 ] - [ 0.0049476000000000, 0.0072177800000000, -0.0000181300000000 ] - [ 0.0000355000000000, 0.0000042600000000, -0.0000970800000000 ] - [ 0.0000309700000000, -0.0000192200000000, 0.0003060800000000 ] - [ 0.0000033700000000, 0.0000000100000000, 0.0000182000000000 ] - [ -0.0000014500000000, 0.0000031100000000, 0.0000099300000000 ] - [ 0.0000139400000000, -0.0000013800000000, -0.0002111600000000 ] - [ -0.0000012800000000, -0.0000045000000000, 0.0000144100000000 ] - [ -0.0000251300000000, 0.0000000900000000, -0.0000180000000000 ] - [ 0.0000008900000000, 0.0000008800000000, -0.0000001400000000 ] - [ 0.0002104900000000, -0.0005263600000000, -0.0000081300000000 ] - [ 0.0133371600000000, 0.0000375600000000, 0.0001291300000000 ] - [ 0.0002103300000000, -0.0005228400000000, 0.0000086500000000 ] - [ 0.0133415000000000, 0.0002213600000000, -0.0001286700000000 ] - [ -0.0005702000000000, -0.0001088100000000, -0.0000624600000000 ] - [ -0.0000011400000000, -0.0000026100000000, 0.0000638800000000 ] - [ 0.0000001900000000, 0.0000019400000000, 0.0001272000000000 ] - [ 0.0000026000000000, 0.0000012300000000, -0.0000064800000000 ] - [ 0.0000015000000000, -0.0000020400000000, -0.0001273100000000 ] - [ -0.0000017000000000, 0.0000007200000000, 0.0000061400000000 ] - [ -0.0005699400000000, -0.0001035300000000, 0.0000618500000000 ] - [ 0.0000029000000000, -0.0000014500000000, -0.0000635700000000 ] - [ 0.0156280100000000, 0.0123825200000000, -0.0046996900000000 ] - [ -0.0020516100000000, -0.0057988900000000, 0.0158166400000000 ] - [ 0.0169132000000000, 0.0124368300000000, -0.0041792200000000 ] - [ -0.0025518800000000, -0.0047930000000000, 0.0152366100000000 ] - [ 0.0010994100000000, -0.0022874600000000, -0.0067383000000000 ] - [ 0.0417149000000000, 0.0024231500000000, 0.0118602200000000 ] - [ 0.0022119000000000, -0.0023156600000000, -0.0072344200000000 ] - [ 0.0445107400000000, 0.0037433800000000, 0.0098396800000000 ] - [ 0.0219996000000000, -0.0153248600000000, -0.0064240200000000 ] - [ -0.0026218000000000, 0.0000988900000000, -0.0082667400000000 ] - [ 0.0211994000000000, -0.0156433600000000, -0.0064489000000000 ] - [ -0.0032125400000000, -0.0008410500000000, -0.0088118800000000 ] - [ 0.0059590900000000, -0.0036531200000000, -0.0016667100000000 ] - [ 0.0018971100000000, 0.0183905800000000, 0.0024434000000000 ] - [ 0.0058276900000000, -0.0033016600000000, -0.0017264800000000 ] - [ 0.0022968200000000, 0.0183703800000000, 0.0024116100000000 ] - [ 0.0092518800000000, 0.0000181100000000, 0.0003408700000000 ] - [ -0.0111770000000000, -0.0104648200000000, -0.0003160500000000 ] - [ 0.0092588900000000, 0.0000080900000000, -0.0003401400000000 ] - [ -0.0111712700000000, -0.0104935900000000, 0.0003156600000000 ] - [ -0.0148072100000000, 0.0043165600000000, -0.0007038700000000 ] - [ -0.0150627000000000, 0.0040118000000000, -0.0007562700000000 ] - [ -0.0005551100000000, -0.0000321400000000, -0.0002752900000000 ] - [ 0.0002499100000000, -0.0005032600000000, 0.0002195700000000 ] - [ 0.0005439200000000, -0.0000040500000000, 0.0002041600000000 ] - [ -0.0004622300000000, 0.0001931200000000, -0.0004106800000000 ] - [ -0.0005584300000000, 0.0000366000000000, 0.0002147200000000 ] - [ 0.0002995400000000, -0.0004634900000000, -0.0002558900000000 ] - [ 0.0000638500000000, -0.0005248300000000, -0.0001583800000000 ] - [ -0.0003155700000000, 0.0004406600000000, 0.0001742000000000 ] - [ 0.0002544400000000, 0.0004964200000000, -0.0002701600000000 ] - [ 0.0003090500000000, 0.0004693600000000, 0.0002166200000000 ] - [ -0.0002674300000000, -0.0005018200000000, 0.0001864700000000 ] - [ -0.0004601800000000, -0.0011055300000000, 0.0000040700000000 ] - [ 0.0000919900000000, -0.0001634900000000, -0.0000377500000000 ] - [ -0.0001859300000000, -0.0000003300000000, -0.0000380500000000 ] - [ -0.0000671300000000, 0.0001178500000000, 0.0000143600000000 ] - [ 0.0001726700000000, 0.0000515500000000, 0.0000050400000000 ] - [ -0.0000010200000000, 0.0000009800000000, 0.0002834700000000 ] - [ 0.0000014300000000, -0.0000007300000000, -0.0003548300000000 ] - [ 0.0000402200000000, 0.0000266100000000, -0.0003343200000000 ] - [ -0.0000262500000000, -0.0000214200000000, 0.0003338200000000 ] - [ 0.0000927200000000, 0.0001616600000000, -0.0000383700000000 ] - [ -0.0001552500000000, -0.0001671400000000, -0.0000194200000000 ] - [ -0.0005565900000000, -0.0000466500000000, -0.0001749400000000 ] - [ 0.0000518800000000, -0.0007768100000000, -0.0000363900000000 ] - [ 0.0005539800000000, 0.0000241100000000, 0.0002615700000000 ] - [ -0.0002530800000000, 0.0005015300000000, -0.0002174200000000 ] - [ -0.0010326000000000, -0.0004733400000000, 0.0002158600000000 ] - [ 0.0002775700000000, -0.0004842300000000, -0.0001996200000000 ] - [ 0.0005589700000000, -0.0000377100000000, -0.0002167600000000 ] - [ -0.0003091000000000, 0.0004631100000000, 0.0002756700000000 ] - [ 0.0002466100000000, 0.0004770600000000, -0.0001882100000000 ] - [ 0.0001312900000000, -0.0001688000000000, 0.0003842500000000 ] - [ -0.0002520300000000, -0.0004947800000000, 0.0002647100000000 ] - [ -0.0003110800000000, -0.0004700300000000, -0.0002178600000000 ] - [ 0.0001089500000000, -0.0001897700000000, 0.0000135500000000 ] - [ -0.0001820900000000, 0.0000511900000000, 0.0000056100000000 ] - [ -0.0000929800000000, 0.0001625200000000, 0.0000384700000000 ] - [ 0.0001870100000000, 0.0000019800000000, 0.0000381600000000 ] - [ 0.0000401600000000, 0.0000258600000000, 0.0003331200000000 ] - [ -0.0000266000000000, -0.0000203800000000, -0.0003333400000000 ] - [ 0.0000011600000000, 0.0000004200000000, -0.0002836900000000 ] - [ -0.0000014900000000, -0.0000011800000000, 0.0003554300000000 ] - [ 0.0000197100000000, 0.0001387700000000, -0.0000196500000000 ] - [ -0.0000942900000000, -0.0001610300000000, 0.0000375900000000 ]- atom: 7 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0030164900000000, 0.0092298400000000, 0.0265506200000000 ] - [ -0.0095015200000000, -0.0020025700000000, 0.0265506200000000 ] - [ 0.0029426400000000, 0.0091170900000000, 0.0264547000000000 ] - [ -0.0093669500000000, -0.0020101500000000, 0.0264547000000000 ] - [ 0.0064850300000000, -0.0072272700000000, 0.0265506200000000 ] - [ 0.0064243100000000, -0.0071069500000000, 0.0264547000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.3473118300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0300436300000000 ] - [ 0.0000028800000000, 0.0017315700000000, 0.0194044500000000 ] - [ -0.0015010300000000, -0.0008632900000000, 0.0194044500000000 ] - [ -0.0000142700000000, 0.0017201600000000, 0.0194323900000000 ] - [ -0.0014825700000000, -0.0008724400000000, 0.0194323900000000 ] - [ 0.0014981500000000, -0.0008682800000000, 0.0194044500000000 ] - [ 0.0014968400000000, -0.0008477300000000, 0.0194323900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0296443700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0300091000000000 ] - [ 0.0000024500000000, 0.0017282800000000, 0.0194247900000000 ] - [ -0.0014979600000000, -0.0008620100000000, 0.0194247900000000 ] - [ -0.0000052500000000, 0.0017343800000000, 0.0194311100000000 ] - [ -0.0014993900000000, -0.0008717400000000, 0.0194311100000000 ] - [ 0.0014955100000000, -0.0008662600000000, 0.0194247900000000 ] - [ 0.0015046400000000, -0.0008626400000000, 0.0194311100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0296058400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0296237400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0031683500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0268169100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0031927200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0270704300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0031693200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0032714400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0033359500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0031715200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0030519900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0032106800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0033032300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0031191300000000 ] - [ 0.0199586500000000, 0.0477884700000000, 0.0518695900000000 ] - [ 0.0037527300000000, 0.0039433900000000, -0.0134893700000000 ] - [ 0.0202200300000000, 0.0459518800000000, 0.0517661500000000 ] - [ 0.0032189700000000, 0.0048982000000000, -0.0140174400000000 ] - [ 0.0015387100000000, -0.0052216600000000, -0.0134893700000000 ] - [ -0.0513653600000000, -0.0066095400000000, 0.0518695900000000 ] - [ 0.0026324800000000, -0.0052368100000000, -0.0140174400000000 ] - [ -0.0499055100000000, -0.0054648800000000, 0.0517661500000000 ] - [ 0.0314067100000000, -0.0411789300000000, 0.0518695900000000 ] - [ -0.0052914400000000, 0.0012782600000000, -0.0134893700000000 ] - [ 0.0296854800000000, -0.0404870000000000, 0.0517661500000000 ] - [ -0.0058514500000000, 0.0003386100000000, -0.0140174400000000 ] - [ 0.0006720200000000, 0.0002983800000000, -0.0028444800000000 ] - [ -0.0000776000000000, -0.0007311800000000, -0.0028444800000000 ] - [ 0.0004821300000000, 0.0006249100000000, -0.0029412000000000 ] - [ 0.0003001300000000, -0.0007299900000000, -0.0029412000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005169400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0021753600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011995300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015979600000000 ] - [ -0.0005944200000000, 0.0004328000000000, -0.0028444800000000 ] - [ -0.0007822500000000, 0.0001050800000000, -0.0029412000000000 ] - [ -0.0028774600000000, -0.0049344700000000, -0.0135309600000000 ] - [ 0.0033490800000000, 0.0039803000000000, -0.0130385100000000 ] - [ -0.0017824400000000, -0.0048992100000000, -0.0130682000000000 ] - [ 0.0028430200000000, 0.0049063900000000, -0.0134954600000000 ] - [ 0.0017725000000000, -0.0048905400000000, -0.0130385100000000 ] - [ 0.0057121100000000, -0.0000247100000000, -0.0135309600000000 ] - [ 0.0028275500000000, -0.0049153200000000, -0.0134954600000000 ] - [ 0.0051340600000000, 0.0009059700000000, -0.0130682000000000 ] - [ -0.0028346500000000, 0.0049591900000000, -0.0135309600000000 ] - [ -0.0051215800000000, 0.0009102400000000, -0.0130385100000000 ] - [ -0.0033516200000000, 0.0039932400000000, -0.0130682000000000 ] - [ -0.0056705700000000, 0.0000089300000000, -0.0134954600000000 ] - [ 0.0006090900000000, 0.0001396100000000, -0.0028065200000000 ] - [ -0.0001836400000000, -0.0005972900000000, -0.0028065200000000 ] - [ 0.0004364200000000, 0.0004534800000000, -0.0027699500000000 ] - [ 0.0001745100000000, -0.0006046900000000, -0.0027699500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0029243800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0035646100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0035582100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0028807900000000 ] - [ -0.0004254500000000, 0.0004576800000000, -0.0028065200000000 ] - [ -0.0006109300000000, 0.0001512200000000, -0.0027699500000000 ] - [ -0.0028717800000000, -0.0049269700000000, -0.0134476600000000 ] - [ 0.0033740400000000, 0.0039577500000000, -0.0131091100000000 ] - [ -0.0017776200000000, -0.0048963100000000, -0.0129881500000000 ] - [ 0.0028371300000000, 0.0049673200000000, -0.0134781500000000 ] - [ 0.0017404900000000, -0.0049008800000000, -0.0131091100000000 ] - [ 0.0057027700000000, -0.0000235500000000, -0.0134476600000000 ] - [ 0.0028832600000000, -0.0049406900000000, -0.0134781500000000 ] - [ 0.0051291400000000, 0.0009086800000000, -0.0129881500000000 ] - [ -0.0028309900000000, 0.0049505200000000, -0.0134476600000000 ] - [ -0.0051145300000000, 0.0009431300000000, -0.0131091100000000 ] - [ -0.0033515100000000, 0.0039876200000000, -0.0129881500000000 ] - [ -0.0057203900000000, -0.0000266300000000, -0.0134781500000000 ] - [ 0.0006130300000000, 0.0001490800000000, -0.0027649200000000 ] - [ -0.0001774100000000, -0.0006054400000000, -0.0027649200000000 ] - [ 0.0004252000000000, 0.0004593800000000, -0.0027269000000000 ] - [ 0.0001852400000000, -0.0005979300000000, -0.0027269000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0028820900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0035380100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0034876700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0028468300000000 ] - [ -0.0004356200000000, 0.0004563600000000, -0.0027649200000000 ] - [ -0.0006104400000000, 0.0001385400000000, -0.0027269000000000 ]- atom: 25 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000056700000000, 0.0000027300000000, -0.0000018000000000 ] - [ 0.0000020200000000, 0.0000001100000000, 0.0000227400000000 ] - [ 0.0015368900000000, 0.0005234300000000, 0.0058749000000000 ] - [ -0.0006357500000000, -0.0012312500000000, -0.0027072900000000 ] - [ 0.0000009400000000, 0.0000041900000000, 0.0000261900000000 ] - [ -0.0010719500000000, 0.0015291800000000, -0.0031950700000000 ] - [ 0.0002110600000000, 0.0005255600000000, 0.0000021000000000 ] - [ 0.0133384200000000, 0.0000424900000000, -0.0000007100000000 ] - [ -0.0000036700000000, 0.0000015200000000, -0.0000128100000000 ] - [ 0.0000023800000000, -0.0000026100000000, -0.0000134700000000 ] - [ 0.0000000400000000, -0.0000005200000000, 0.0000014900000000 ] - [ -0.0000004200000000, -0.0000004500000000, 0.0000008200000000 ] - [ 0.0000020900000000, 0.0000033600000000, -0.0000133300000000 ] - [ 0.0000001000000000, -0.0000009000000000, 0.0000018200000000 ] - [ -0.0000005000000000, 0.0000006700000000, 0.0000203400000000 ] - [ 0.0000010900000000, -0.0000027300000000, -0.0000165100000000 ] - [ -0.0005799500000000, 0.0005153800000000, -0.0028168600000000 ] - [ 0.0010118900000000, -0.0003354700000000, 0.0075405400000000 ] - [ 0.0000006600000000, -0.0000025200000000, 0.0000194600000000 ] - [ -0.0000039400000000, 0.0000006300000000, 0.0000003700000000 ] - [ -0.0005303500000000, -0.0012593100000000, -0.0047285400000000 ] - [ -0.0000032200000000, -0.0000066800000000, 0.0000268000000000 ] - [ -0.0005683700000000, 0.0001069300000000, -0.0000162000000000 ] - [ 0.0000003200000000, 0.0000006000000000, 0.0000017400000000 ] - [ -0.0165781700000000, 0.0001078100000000, 0.0000868600000000 ] - [ -0.0000502100000000, -0.0000168400000000, 0.0001283100000000 ] - [ -0.0000013500000000, 0.0000021700000000, 0.0000072500000000 ] - [ 0.0000195800000000, -0.0000219000000000, -0.0001278300000000 ] - [ 0.0000002100000000, -0.0000020100000000, -0.0000637800000000 ] - [ -0.0000008400000000, -0.0000005400000000, 0.0000642300000000 ] - [ -0.0000009800000000, 0.0000019700000000, 0.0001272200000000 ] - [ 0.0000030500000000, 0.0000002800000000, -0.0000059800000000 ] - [ 0.0000003700000000, -0.0000020700000000, -0.0001266800000000 ] - [ 0.0000297900000000, 0.0000133400000000, 0.0000064000000000 ] - [ 0.0039285100000000, 0.0000297000000000, 0.0000650200000000 ] - [ 0.0000195600000000, -0.0000213900000000, -0.0000630700000000 ] - [ -0.0005716400000000, -0.0000553300000000, -0.0002007600000000 ] - [ 0.0002525400000000, -0.0004949000000000, 0.0002681400000000 ] - [ 0.0002560300000000, -0.0002814100000000, -0.0006931200000000 ] - [ 0.0006188700000000, 0.0031399100000000, 0.0010727900000000 ] - [ -0.0005531000000000, 0.0000293100000000, 0.0002674600000000 ] - [ 0.0003008200000000, -0.0005051200000000, -0.0002203400000000 ] - [ -0.0040119600000000, 0.0021950400000000, -0.0035646100000000 ] - [ -0.0004444800000000, 0.0005086500000000, 0.0006137100000000 ] - [ 0.0002251500000000, 0.0004720600000000, -0.0002328300000000 ] - [ 0.0003008400000000, 0.0004666700000000, 0.0002666800000000 ] - [ -0.0001610400000000, -0.0007865500000000, 0.0007278700000000 ] - [ -0.0018194200000000, -0.0027972300000000, 0.0016948100000000 ] - [ 0.0000954700000000, -0.0001615200000000, 0.0000378200000000 ] - [ -0.0001915200000000, -0.0000018800000000, 0.0000382100000000 ] - [ 0.0008231700000000, 0.0008636600000000, -0.0004140800000000 ] - [ -0.0003149300000000, -0.0000543100000000, 0.0008946200000000 ] - [ -0.0000018800000000, -0.0000015600000000, 0.0003553400000000 ] - [ 0.0000022300000000, 0.0000023600000000, -0.0002834900000000 ] - [ -0.0002247500000000, -0.0005372000000000, -0.0003569600000000 ] - [ -0.0002968900000000, 0.0005140600000000, 0.0002824500000000 ] - [ 0.0000947500000000, 0.0001585100000000, 0.0000389600000000 ] - [ 0.0007697900000000, -0.0010636900000000, -0.0005919100000000 ] - [ -0.0005540200000000, -0.0000277100000000, -0.0002693200000000 ] - [ 0.0002518200000000, -0.0005008900000000, 0.0002170100000000 ] - [ 0.0005499700000000, 0.0000202600000000, 0.0001895800000000 ] - [ -0.0002569500000000, 0.0004868900000000, -0.0001906200000000 ] - [ -0.0005582200000000, 0.0000364400000000, 0.0002161000000000 ] - [ 0.0003041900000000, -0.0004635400000000, -0.0002668400000000 ] - [ 0.0005483800000000, -0.0000249700000000, -0.0001891200000000 ] - [ -0.0002946000000000, 0.0004627200000000, 0.0001869200000000 ] - [ 0.0002538200000000, 0.0004948700000000, -0.0002680700000000 ] - [ 0.0003094200000000, 0.0004694900000000, 0.0002182400000000 ] - [ -0.0002574800000000, -0.0004887600000000, 0.0001877000000000 ] - [ -0.0002941500000000, -0.0004668100000000, -0.0001888700000000 ] - [ 0.0000928000000000, -0.0001635100000000, -0.0000378900000000 ] - [ -0.0001871100000000, -0.0000010200000000, -0.0000379900000000 ] - [ -0.0000884700000000, 0.0001546400000000, 0.0000003300000000 ] - [ 0.0001787100000000, 0.0000002200000000, -0.0000001800000000 ] - [ -0.0000012000000000, 0.0000005300000000, 0.0002834200000000 ] - [ 0.0000016300000000, 0.0000003700000000, -0.0003548700000000 ] - [ -0.0000003100000000, 0.0000006900000000, -0.0003340600000000 ] - [ 0.0000001100000000, -0.0000010000000000, 0.0003336900000000 ] - [ 0.0000943900000000, 0.0001620200000000, -0.0000381200000000 ] - [ -0.0000881600000000, -0.0001531100000000, -0.0000001100000000 ] - [ -0.0003956000000000, 0.0000728900000000, 0.0000974300000000 ] - [ 0.0010243800000000, -0.0021962900000000, -0.0008465900000000 ] - [ 0.0006060900000000, 0.0000120900000000, 0.0002637100000000 ] - [ -0.0002503300000000, 0.0005024700000000, -0.0002201600000000 ] - [ 0.0014409200000000, -0.0006380900000000, 0.0005855200000000 ] - [ 0.0006226100000000, -0.0005229800000000, -0.0011862500000000 ] - [ 0.0005598800000000, -0.0000367300000000, -0.0002158500000000 ] - [ -0.0002781100000000, 0.0004481600000000, 0.0002736200000000 ] - [ 0.0003646800000000, 0.0003541500000000, 0.0005227100000000 ] - [ 0.0009504100000000, 0.0001461700000000, 0.0007191400000000 ] - [ -0.0002152000000000, -0.0004871300000000, 0.0002645800000000 ] - [ -0.0003077800000000, -0.0004704500000000, -0.0002190000000000 ] - [ 0.0004272200000000, -0.0003933000000000, -0.0001327000000000 ] - [ -0.0001585800000000, 0.0014031700000000, -0.0002966200000000 ] - [ -0.0000903400000000, 0.0001628900000000, 0.0000369400000000 ] - [ 0.0001899300000000, 0.0000042000000000, 0.0000389100000000 ] - [ 0.0020795400000000, -0.0001892300000000, 0.0003312100000000 ] - [ -0.0005435600000000, -0.0005860300000000, -0.0003340700000000 ] - [ 0.0000028000000000, 0.0000007500000000, -0.0002835500000000 ] - [ -0.0000046400000000, -0.0000003100000000, 0.0003553300000000 ] - [ -0.0011559400000000, 0.0004631700000000, 0.0004348200000000 ] - [ -0.0000946400000000, -0.0001618000000000, 0.0000385500000000 ]- atom: 25 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000013300000000, 0.0000002700000000, 0.0000341100000000 ] - [ 0.0000031900000000, -0.0000037200000000, 0.0000080800000000 ] - [ -0.0015407700000000, -0.0005232200000000, -0.0058465500000000 ] - [ 0.0006427300000000, 0.0012380600000000, 0.0026593000000000 ] - [ 0.0000023400000000, 0.0000032400000000, 0.0000049200000000 ] - [ 0.0010734100000000, -0.0015312400000000, 0.0031607800000000 ] - [ -0.0002090500000000, -0.0005236800000000, 0.0000022500000000 ] - [ -0.0133399200000000, -0.0002166000000000, -0.0000010900000000 ] - [ -0.0000039700000000, 0.0000014800000000, -0.0000124000000000 ] - [ 0.0000025100000000, -0.0000018300000000, -0.0000139000000000 ] - [ -0.0000000200000000, -0.0000006000000000, 0.0000006200000000 ] - [ -0.0000002500000000, -0.0000009700000000, 0.0000014500000000 ] - [ 0.0000021800000000, 0.0000030000000000, -0.0000127700000000 ] - [ 0.0000001100000000, -0.0000009700000000, 0.0000014200000000 ] - [ -0.0000018000000000, 0.0000003000000000, 0.0000202200000000 ] - [ -0.0000004700000000, 0.0000011400000000, -0.0000166000000000 ] - [ 0.0005623200000000, -0.0005177700000000, 0.0028396000000000 ] - [ -0.0009852400000000, 0.0003288300000000, -0.0075814900000000 ] - [ 0.0000048900000000, 0.0000014000000000, 0.0000106800000000 ] - [ -0.0000013600000000, 0.0000036600000000, 0.0000318000000000 ] - [ 0.0005122200000000, 0.0012744000000000, 0.0047365900000000 ] - [ -0.0000003600000000, -0.0000012200000000, 0.0000043900000000 ] - [ 0.0005727700000000, -0.0001053600000000, -0.0000161400000000 ] - [ -0.0000003200000000, -0.0000013700000000, 0.0000017400000000 ] - [ 0.0167865300000000, 0.0001099000000000, 0.0000897100000000 ] - [ 0.0000460900000000, 0.0000161600000000, 0.0001281300000000 ] - [ -0.0000003500000000, 0.0000021500000000, 0.0000073400000000 ] - [ -0.0000157000000000, 0.0000223600000000, -0.0001276600000000 ] - [ 0.0000007900000000, -0.0000022200000000, -0.0000639200000000 ] - [ -0.0000032100000000, -0.0000005500000000, 0.0000643700000000 ] - [ -0.0000002800000000, 0.0000020500000000, 0.0001275900000000 ] - [ 0.0000012800000000, 0.0000002900000000, -0.0000061300000000 ] - [ 0.0000009700000000, -0.0000018700000000, -0.0001271000000000 ] - [ -0.0000341300000000, -0.0000140300000000, 0.0000065900000000 ] - [ -0.0039301600000000, 0.0000297300000000, 0.0000649500000000 ] - [ -0.0000157600000000, 0.0000228700000000, -0.0000632800000000 ] - [ -0.0005490200000000, -0.0000105600000000, -0.0002377100000000 ] - [ 0.0002549100000000, -0.0004926000000000, 0.0002699700000000 ] - [ 0.0008635100000000, 0.0003447600000000, 0.0011215000000000 ] - [ -0.0011504000000000, -0.0021274700000000, -0.0015919000000000 ] - [ -0.0005524600000000, 0.0000323300000000, 0.0002647400000000 ] - [ 0.0003226300000000, -0.0004260800000000, -0.0002134800000000 ] - [ 0.0051893900000000, -0.0022428900000000, 0.0030200500000000 ] - [ -0.0001790900000000, 0.0004222300000000, -0.0001785900000000 ] - [ 0.0002771200000000, 0.0005347900000000, -0.0002030100000000 ] - [ 0.0003018300000000, 0.0004685200000000, 0.0002683500000000 ] - [ -0.0003422300000000, -0.0002202800000000, -0.0002943700000000 ] - [ 0.0011789600000000, 0.0018522700000000, -0.0022265900000000 ] - [ 0.0000898200000000, -0.0001645400000000, 0.0000386700000000 ] - [ -0.0001857200000000, -0.0000017700000000, 0.0000385300000000 ] - [ -0.0009999000000000, -0.0005323700000000, 0.0003436300000000 ] - [ 0.0006833600000000, 0.0000545000000000, -0.0009737000000000 ] - [ -0.0000002900000000, 0.0000025500000000, 0.0003558100000000 ] - [ -0.0000001300000000, -0.0000024700000000, -0.0002838700000000 ] - [ 0.0002211900000000, 0.0005293400000000, -0.0003570300000000 ] - [ 0.0002946000000000, -0.0005090300000000, 0.0002825700000000 ] - [ 0.0000918600000000, 0.0001667800000000, 0.0000378900000000 ] - [ -0.0009458600000000, 0.0007364400000000, 0.0005190500000000 ] - [ -0.0005541700000000, -0.0000274300000000, -0.0002697100000000 ] - [ 0.0002512700000000, -0.0005018300000000, 0.0002191700000000 ] - [ 0.0005500500000000, 0.0000201400000000, 0.0001901600000000 ] - [ -0.0002564000000000, 0.0004870700000000, -0.0001917200000000 ] - [ -0.0005582200000000, 0.0000361000000000, 0.0002157100000000 ] - [ 0.0003035200000000, -0.0004636500000000, -0.0002666800000000 ] - [ 0.0005480000000000, -0.0000240700000000, -0.0001873700000000 ] - [ -0.0002949800000000, 0.0004626000000000, 0.0001863900000000 ] - [ 0.0002535600000000, 0.0004953600000000, -0.0002684800000000 ] - [ 0.0003082500000000, 0.0004695700000000, 0.0002167800000000 ] - [ -0.0002581100000000, -0.0004882800000000, 0.0001877300000000 ] - [ -0.0002942500000000, -0.0004671600000000, -0.0001893200000000 ] - [ 0.0000928900000000, -0.0001635800000000, -0.0000378500000000 ] - [ -0.0001872800000000, -0.0000012700000000, -0.0000379300000000 ] - [ -0.0000883900000000, 0.0001544900000000, 0.0000002700000000 ] - [ 0.0001788300000000, 0.0000005000000000, -0.0000003400000000 ] - [ -0.0000014000000000, 0.0000007100000000, 0.0002837300000000 ] - [ 0.0000013200000000, 0.0000005500000000, -0.0003549900000000 ] - [ -0.0000001900000000, 0.0000005000000000, -0.0003344600000000 ] - [ 0.0000003200000000, -0.0000013200000000, 0.0003340700000000 ] - [ 0.0000945300000000, 0.0001618500000000, -0.0000379800000000 ] - [ -0.0000884600000000, -0.0001530300000000, -0.0000001800000000 ] - [ -0.0007042000000000, -0.0001156000000000, -0.0004829000000000 ] - [ -0.0008386300000000, 0.0011549500000000, 0.0010829500000000 ] - [ 0.0005020700000000, 0.0000421200000000, 0.0002734500000000 ] - [ -0.0002544900000000, 0.0005017800000000, -0.0002197400000000 ] - [ -0.0025319000000000, 0.0007303200000000, -0.0002229300000000 ] - [ -0.0000354800000000, -0.0004016900000000, 0.0008171500000000 ] - [ 0.0005573700000000, -0.0000364500000000, -0.0002180700000000 ] - [ -0.0003286000000000, 0.0004784700000000, 0.0002581000000000 ] - [ 0.0001501500000000, 0.0006229100000000, -0.0009001700000000 ] - [ -0.0002471800000000, 0.0006768000000000, -0.0004042100000000 ] - [ -0.0002924700000000, -0.0005030300000000, 0.0002705900000000 ] - [ -0.0003117400000000, -0.0004694900000000, -0.0002176500000000 ] - [ -0.0002496200000000, 0.0000841400000000, 0.0001310300000000 ] - [ -0.0002009100000000, -0.0014113400000000, 0.0003013400000000 ] - [ -0.0000959800000000, 0.0001655300000000, 0.0000398900000000 ] - [ 0.0001852300000000, -0.0000017400000000, 0.0000374700000000 ] - [ -0.0020867500000000, 0.0001855300000000, 0.0003313900000000 ] - [ 0.0005442700000000, 0.0005899400000000, -0.0003344700000000 ] - [ -0.0000009200000000, -0.0000002200000000, -0.0002839100000000 ] - [ 0.0000025000000000, -0.0000002300000000, 0.0003557200000000 ] - [ 0.0013351200000000, -0.0001562200000000, -0.0004273000000000 ] - [ -0.0000924700000000, -0.0001627800000000, 0.0000371300000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0000021500000000, 0.0001836800000000, 0.0021132300000000 ] - [ -0.0001580000000000, -0.0000937000000000, 0.0021132300000000 ] - [ 0.0029029600000000, -0.0001274400000000, 0.0009765800000000 ] - [ -0.0013411200000000, 0.0025777600000000, 0.0009765800000000 ] - [ 0.0001601500000000, -0.0000899800000000, 0.0021132300000000 ] - [ -0.0015618400000000, -0.0024503200000000, 0.0009765800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0031766100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0269350300000000 ] - [ -0.0000037600000000, 0.0001879800000000, 0.0020822600000000 ] - [ -0.0001609100000000, -0.0000972500000000, 0.0020822600000000 ] - [ -0.0000001900000000, 0.0001889900000000, 0.0020939900000000 ] - [ -0.0001635800000000, -0.0000946600000000, 0.0020939900000000 ] - [ 0.0001646800000000, -0.0000907300000000, 0.0020822600000000 ] - [ 0.0001637700000000, -0.0000943300000000, 0.0020939900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0032148300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0031762600000000 ] - [ -0.0020811100000000, -0.0050171700000000, 0.0019103300000000 ] - [ 0.0053855600000000, 0.0007062900000000, 0.0019103300000000 ] - [ 0.0000048400000000, 0.0001860300000000, 0.0021147200000000 ] - [ -0.0001635200000000, -0.0000888200000000, 0.0021147200000000 ] - [ -0.0033044400000000, 0.0043108800000000, 0.0019103300000000 ] - [ 0.0001586800000000, -0.0000972000000000, 0.0021147200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0032280900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0031965100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0134464800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005637000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003540000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002522100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002788900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004112400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004698100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003355100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002181000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003694100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0032413200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003150200000000 ] - [ -0.0008174200000000, -0.0005444500000000, -0.0016370800000000 ] - [ 0.0005839000000000, -0.0000141100000000, -0.0011620400000000 ] - [ 0.0003827600000000, -0.0005011000000000, -0.0009021400000000 ] - [ -0.0021992100000000, -0.0046002200000000, 0.0061537400000000 ] - [ -0.0003041700000000, -0.0004986100000000, -0.0011620400000000 ] - [ 0.0008802200000000, -0.0004356800000000, -0.0016370800000000 ] - [ -0.0028843100000000, 0.0042046800000000, 0.0061537400000000 ] - [ 0.0002425800000000, 0.0005820300000000, -0.0009021400000000 ] - [ -0.0000628000000000, 0.0009801400000000, -0.0016370800000000 ] - [ -0.0002797300000000, 0.0005127200000000, -0.0011620400000000 ] - [ -0.0006253400000000, -0.0000809300000000, -0.0009021400000000 ] - [ 0.0050835100000000, 0.0003955400000000, 0.0061537400000000 ] - [ 0.0001521600000000, -0.0001275600000000, -0.0002618100000000 ] - [ -0.0001865500000000, -0.0000679900000000, -0.0002618100000000 ] - [ -0.0009569300000000, 0.0010369900000000, -0.0014165200000000 ] - [ 0.0013765200000000, 0.0003102300000000, -0.0014165200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000069400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006304400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001962400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002101300000000 ] - [ 0.0000344000000000, 0.0001955500000000, -0.0002618100000000 ] - [ -0.0004196000000000, -0.0013472200000000, -0.0014165200000000 ] - [ -0.0008065200000000, -0.0005614200000000, -0.0016950400000000 ] - [ 0.0005817200000000, -0.0000224900000000, -0.0012150700000000 ] - [ 0.0002998900000000, -0.0005049400000000, -0.0012436800000000 ] - [ 0.0000770800000000, 0.0009698900000000, -0.0016174300000000 ] - [ -0.0003103400000000, -0.0004925400000000, -0.0012150700000000 ] - [ 0.0008894700000000, -0.0004177600000000, -0.0016950400000000 ] - [ 0.0008014100000000, -0.0005517000000000, -0.0016174300000000 ] - [ 0.0002873400000000, 0.0005121800000000, -0.0012436800000000 ] - [ -0.0000829400000000, 0.0009791800000000, -0.0016950400000000 ] - [ -0.0002713800000000, 0.0005150300000000, -0.0012150700000000 ] - [ -0.0005872300000000, -0.0000072400000000, -0.0012436800000000 ] - [ -0.0008784900000000, -0.0004181900000000, -0.0016174300000000 ] - [ 0.0001481400000000, -0.0001289700000000, -0.0003370600000000 ] - [ -0.0001857600000000, -0.0000638100000000, -0.0003370600000000 ] - [ -0.0000339900000000, 0.0001849100000000, -0.0002996500000000 ] - [ 0.0001771400000000, -0.0000630200000000, -0.0002996500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000650300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006985500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006779500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000157000000000 ] - [ 0.0000376200000000, 0.0001927800000000, -0.0003370600000000 ] - [ -0.0001431400000000, -0.0001219000000000, -0.0002996500000000 ] - [ -0.0006118900000000, -0.0003486300000000, -0.0014506300000000 ] - [ -0.0013740800000000, -0.0034923600000000, 0.0084400500000000 ] - [ 0.0003014800000000, -0.0004871000000000, -0.0011443700000000 ] - [ 0.0000843200000000, 0.0009866600000000, -0.0016443900000000 ] - [ -0.0023374300000000, 0.0029361700000000, 0.0084400500000000 ] - [ 0.0006078700000000, -0.0003556000000000, -0.0014506300000000 ] - [ 0.0008123100000000, -0.0005663600000000, -0.0016443900000000 ] - [ 0.0002711000000000, 0.0005046400000000, -0.0011443700000000 ] - [ 0.0000040200000000, 0.0007042300000000, -0.0014506300000000 ] - [ 0.0037115100000000, 0.0005561900000000, 0.0084400500000000 ] - [ -0.0005725800000000, -0.0000175400000000, -0.0011443700000000 ] - [ -0.0008966300000000, -0.0004203000000000, -0.0016443900000000 ] - [ -0.0001994400000000, -0.0006247300000000, -0.0001526400000000 ] - [ -0.0004413100000000, 0.0004850800000000, -0.0001526400000000 ] - [ -0.0000368300000000, 0.0001940700000000, -0.0002605300000000 ] - [ 0.0001864900000000, -0.0000651400000000, -0.0002605300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015433400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004286600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006310300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000056300000000 ] - [ 0.0006407500000000, 0.0001396400000000, -0.0001526400000000 ] - [ -0.0001496500000000, -0.0001289300000000, -0.0002605300000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000052300000000, -0.0001836100000000, -0.0020831700000000 ] - [ 0.0001564000000000, 0.0000963400000000, -0.0020831700000000 ] - [ -0.0028629800000000, 0.0001218300000000, -0.0010176100000000 ] - [ 0.0013259800000000, -0.0025403300000000, -0.0010176100000000 ] - [ -0.0001616300000000, 0.0000872800000000, -0.0020831700000000 ] - [ 0.0015370000000000, 0.0024185000000000, -0.0010176100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0031734500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0269497400000000 ] - [ 0.0000039500000000, -0.0001887500000000, -0.0021075600000000 ] - [ 0.0001614900000000, 0.0000977900000000, -0.0021075600000000 ] - [ -0.0000072300000000, -0.0001899100000000, -0.0020907700000000 ] - [ 0.0001680800000000, 0.0000886900000000, -0.0020907700000000 ] - [ -0.0001654300000000, 0.0000909600000000, -0.0021075600000000 ] - [ -0.0001608500000000, 0.0001012200000000, -0.0020907700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0031737800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0032101400000000 ] - [ 0.0021061200000000, 0.0050742100000000, -0.0019175400000000 ] - [ -0.0054474500000000, -0.0007131500000000, -0.0019175400000000 ] - [ -0.0000055600000000, -0.0001860200000000, -0.0020829400000000 ] - [ 0.0001638800000000, 0.0000882000000000, -0.0020829400000000 ] - [ 0.0033413300000000, -0.0043610600000000, -0.0019175400000000 ] - [ -0.0001583200000000, 0.0000978300000000, -0.0020829400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0032642800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0031932000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0136832300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003053300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003277400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005119900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004180100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002713800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002107900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003565800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004787900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003437800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0033760900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004548400000000 ] - [ -0.0003040000000000, 0.0004764100000000, 0.0012020300000000 ] - [ -0.0000781100000000, -0.0009741600000000, 0.0016961700000000 ] - [ 0.0007374200000000, 0.0005672300000000, 0.0013387800000000 ] - [ 0.0016836700000000, 0.0056083100000000, -0.0066281400000000 ] - [ -0.0008045900000000, 0.0005547200000000, 0.0016961700000000 ] - [ -0.0002605900000000, -0.0005014800000000, 0.0012020300000000 ] - [ 0.0040151100000000, -0.0042622600000000, -0.0066281400000000 ] - [ -0.0008599400000000, 0.0003550100000000, 0.0013387800000000 ] - [ 0.0005645900000000, 0.0000250600000000, 0.0012020300000000 ] - [ 0.0008827000000000, 0.0004194400000000, 0.0016961700000000 ] - [ 0.0001225200000000, -0.0009222400000000, 0.0013387800000000 ] - [ -0.0056987800000000, -0.0013460600000000, -0.0066281400000000 ] - [ 0.0000367800000000, -0.0001977100000000, 0.0003379700000000 ] - [ -0.0001896100000000, 0.0000670100000000, 0.0003379700000000 ] - [ 0.0007598400000000, -0.0007010500000000, 0.0013286100000000 ] - [ -0.0009870500000000, -0.0003075200000000, 0.0013286100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007051100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000592900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008959800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003667000000000 ] - [ 0.0001528300000000, 0.0001307000000000, 0.0003379700000000 ] - [ 0.0002272000000000, 0.0010085700000000, 0.0013286100000000 ] - [ -0.0003052100000000, 0.0004985700000000, 0.0011665000000000 ] - [ -0.0000840600000000, -0.0009869900000000, 0.0016429600000000 ] - [ 0.0008027000000000, 0.0005552800000000, 0.0016125600000000 ] - [ -0.0005915600000000, 0.0000038200000000, 0.0012397100000000 ] - [ -0.0008127300000000, 0.0005663000000000, 0.0016429600000000 ] - [ -0.0002791600000000, -0.0005136100000000, 0.0011665000000000 ] - [ 0.0002990900000000, 0.0005103900000000, 0.0012397100000000 ] - [ -0.0008822400000000, 0.0004175200000000, 0.0016125600000000 ] - [ 0.0005843800000000, 0.0000150400000000, 0.0011665000000000 ] - [ 0.0008967900000000, 0.0004207000000000, 0.0016429600000000 ] - [ 0.0000795400000000, -0.0009728000000000, 0.0016125600000000 ] - [ 0.0002924700000000, -0.0005142100000000, 0.0012397100000000 ] - [ 0.0000365600000000, -0.0001923500000000, 0.0002595200000000 ] - [ -0.0001848600000000, 0.0000645200000000, 0.0002595200000000 ] - [ -0.0001451900000000, 0.0001204400000000, 0.0002960600000000 ] - [ 0.0001769000000000, 0.0000655200000000, 0.0002960600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006297900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000129500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000062700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006763000000000 ] - [ 0.0001483000000000, 0.0001278300000000, 0.0002595200000000 ] - [ -0.0000317100000000, -0.0001859600000000, 0.0002960600000000 ] - [ -0.0004913700000000, 0.0002959500000000, 0.0010769800000000 ] - [ 0.0018216400000000, 0.0025016400000000, -0.0081283500000000 ] - [ 0.0008107700000000, 0.0005487600000000, 0.0016732000000000 ] - [ -0.0005813900000000, 0.0000249900000000, 0.0012149300000000 ] - [ 0.0012556600000000, -0.0028284000000000, -0.0081283500000000 ] - [ -0.0000106200000000, -0.0005735100000000, 0.0010769800000000 ] - [ 0.0003123400000000, 0.0004910000000000, 0.0012149300000000 ] - [ -0.0008806200000000, 0.0004277700000000, 0.0016732000000000 ] - [ 0.0005019900000000, 0.0002775600000000, 0.0010769800000000 ] - [ -0.0030773000000000, 0.0003267700000000, -0.0081283500000000 ] - [ 0.0000698500000000, -0.0009765300000000, 0.0016732000000000 ] - [ 0.0002690500000000, -0.0005160000000000, 0.0012149300000000 ] - [ 0.0003813200000000, 0.0003279800000000, 0.0001560200000000 ] - [ 0.0000933800000000, -0.0004942200000000, 0.0001560200000000 ] - [ -0.0001482000000000, 0.0001275300000000, 0.0003391500000000 ] - [ 0.0001845400000000, 0.0000645800000000, 0.0003391500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0020397900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002383400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000668200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007070000000000 ] - [ -0.0004747000000000, 0.0001662400000000, 0.0001560200000000 ] - [ -0.0000363400000000, -0.0001921000000000, 0.0003391500000000 ]- atom: 37 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0099875100000000, -0.0003643400000000, -0.0067326200000000 ] - [ -0.0080037900000000, -0.0016007300000000, 0.0128867000000000 ] - [ 0.0003250700000000, -0.0011031400000000, -0.0035846800000000 ] - [ -0.0003104900000000, 0.0003539800000000, 0.0038416900000000 ] - [ -0.0034703600000000, 0.0036256800000000, 0.0048834400000000 ] - [ -0.0011239000000000, 0.0005683500000000, -0.0052963000000000 ] - [ 0.0164586900000000, 0.0122924400000000, 0.0199836000000000 ] - [ -0.0004822500000000, -0.0004574400000000, -0.0022574500000000 ] - [ -0.0000042100000000, -0.0001348700000000, -0.0015358400000000 ] - [ 0.0001200900000000, 0.0000653800000000, -0.0015361100000000 ] - [ -0.0000014000000000, -0.0001339500000000, -0.0013743800000000 ] - [ 0.0000981400000000, 0.0000361800000000, -0.0014823400000000 ] - [ -0.0001151400000000, 0.0000708800000000, -0.0015325900000000 ] - [ -0.0001503800000000, 0.0000459100000000, -0.0017278000000000 ] - [ -0.0000080200000000, 0.0000151000000000, -0.0023009200000000 ] - [ 0.0016407900000000, -0.0029638300000000, -0.0020955300000000 ] - [ 0.0000013100000000, -0.0001415100000000, -0.0015349600000000 ] - [ 0.0001153000000000, 0.0000672600000000, -0.0015218700000000 ] - [ 0.0000028900000000, -0.0001364900000000, -0.0015069100000000 ] - [ 0.0001148100000000, 0.0000701100000000, -0.0015056500000000 ] - [ -0.0001190800000000, 0.0000714300000000, -0.0015043000000000 ] - [ -0.0001198200000000, 0.0000639400000000, -0.0015062900000000 ] - [ -0.0000003600000000, -0.0000021200000000, -0.0023368100000000 ] - [ 0.0000002300000000, -0.0000007300000000, -0.0023195600000000 ] - [ -0.0000109400000000, 0.0000376700000000, -0.0002625300000000 ] - [ 0.0019906600000000, -0.0010528600000000, 0.0019189400000000 ] - [ -0.0003022300000000, 0.0000572500000000, -0.0001720900000000 ] - [ -0.0045707900000000, -0.0005340400000000, 0.0033142000000000 ] - [ 0.0001536600000000, 0.0001563200000000, -0.0001240300000000 ] - [ -0.0000027600000000, -0.0000013600000000, -0.0001854200000000 ] - [ -0.0000006900000000, 0.0000020200000000, -0.0001231800000000 ] - [ 0.0000034500000000, 0.0000002800000000, -0.0002561400000000 ] - [ 0.0000005700000000, -0.0000019400000000, -0.0003770200000000 ] - [ -0.0000021700000000, -0.0000000200000000, -0.0002429700000000 ] - [ 0.0000518500000000, 0.0000023400000000, -0.0001892100000000 ] - [ 0.0000021900000000, 0.0000006900000000, -0.0003142300000000 ] - [ -0.0537047200000000, -0.0228221900000000, -0.0346769100000000 ] - [ 0.0008121600000000, 0.0001421300000000, -0.0014658900000000 ] - [ 0.0077173800000000, 0.0100335100000000, 0.0057852400000000 ] - [ -0.0004024200000000, 0.0004398800000000, -0.0005316900000000 ] - [ -0.0001762100000000, 0.0027958200000000, 0.0092891700000000 ] - [ 0.0143488700000000, 0.0090550900000000, -0.0114278500000000 ] - [ 0.0003363700000000, 0.0007132800000000, 0.0012108100000000 ] - [ -0.0027178500000000, -0.0041556400000000, -0.0086465300000000 ] - [ -0.0031237900000000, 0.0010107200000000, -0.0061711100000000 ] - [ -0.0000066300000000, -0.0000148700000000, -0.0006811200000000 ] - [ 0.0043809500000000, 0.0000408300000000, 0.0124133900000000 ] - [ 0.0005787200000000, -0.0003045800000000, 0.0015820100000000 ] - [ 0.0045322900000000, 0.0052728400000000, 0.0052076300000000 ] - [ 0.0042714300000000, -0.0007828100000000, -0.0048724700000000 ] - [ -0.0003533700000000, 0.0005522600000000, 0.0003249800000000 ] - [ 0.0001572600000000, -0.0014754100000000, 0.0000032800000000 ] - [ -0.0005479100000000, 0.0007246000000000, -0.0013917800000000 ] - [ -0.0005076000000000, -0.0020286600000000, -0.0054464100000000 ] - [ -0.0007045400000000, 0.0000945200000000, -0.0000741400000000 ] - [ 0.0005651900000000, 0.0005182600000000, 0.0001001900000000 ] - [ 0.0114548600000000, -0.0094653700000000, 0.0100499700000000 ] - [ 0.0008144100000000, -0.0002096500000000, 0.0003611700000000 ] - [ -0.0003708300000000, 0.0003575800000000, 0.0007732700000000 ] - [ 0.0000088000000000, -0.0008522800000000, 0.0012559500000000 ] - [ 0.0007271400000000, 0.0004130900000000, 0.0012237200000000 ] - [ -0.0006366000000000, 0.0002924900000000, 0.0007478500000000 ] - [ -0.0007408900000000, 0.0004222900000000, 0.0012547700000000 ] - [ -0.0001195500000000, -0.0004996000000000, 0.0007722900000000 ] - [ 0.0003358000000000, 0.0004579000000000, 0.0008015500000000 ] - [ -0.0007086000000000, 0.0004337100000000, 0.0012032200000000 ] - [ 0.0004949200000000, 0.0001462400000000, 0.0007678900000000 ] - [ 0.0007338200000000, 0.0004349500000000, 0.0012553700000000 ] - [ -0.0000201700000000, -0.0008361200000000, 0.0012588900000000 ] - [ 0.0001728600000000, -0.0000643000000000, 0.0011270000000000 ] - [ 0.0000523800000000, -0.0001860400000000, 0.0001786400000000 ] - [ -0.0001866000000000, 0.0000460900000000, 0.0001786200000000 ] - [ -0.0000956000000000, 0.0001559800000000, 0.0002035700000000 ] - [ 0.0001633600000000, 0.0001045400000000, 0.0002281400000000 ] - [ -0.0000014200000000, 0.0000006000000000, 0.0005339600000000 ] - [ 0.0000007000000000, 0.0000008500000000, -0.0001033600000000 ] - [ 0.0000221800000000, -0.0000331000000000, -0.0000811800000000 ] - [ -0.0000183700000000, 0.0000089800000000, 0.0005856800000000 ] - [ 0.0001347700000000, 0.0001376100000000, 0.0001784600000000 ] - [ -0.0000374800000000, -0.0001969100000000, 0.0002208600000000 ] - [ -0.0003666200000000, 0.0003682000000000, 0.0008525400000000 ] - [ 0.0000385100000000, -0.0008236800000000, 0.0012077300000000 ] - [ 0.0007372400000000, 0.0004133200000000, 0.0013070500000000 ] - [ -0.0004946900000000, 0.0001520100000000, 0.0008190600000000 ] - [ -0.0006924400000000, 0.0004657100000000, 0.0012657100000000 ] - [ -0.0001246500000000, -0.0004961600000000, 0.0008477000000000 ] - [ 0.0003763100000000, 0.0003488600000000, 0.0008227200000000 ] - [ -0.0007282600000000, 0.0004290100000000, 0.0013032500000000 ] - [ 0.0005006300000000, 0.0001401000000000, 0.0008515100000000 ] - [ 0.0007485800000000, 0.0004945600000000, 0.0012156200000000 ] - [ -0.0000110500000000, -0.0008459600000000, 0.0013060500000000 ] - [ 0.0001143000000000, -0.0005046600000000, 0.0008204600000000 ] - [ 0.0000457500000000, -0.0001775300000000, 0.0002145200000000 ] - [ -0.0001738900000000, 0.0000438500000000, 0.0002167000000000 ] - [ -0.0001333300000000, 0.0001399700000000, 0.0002547200000000 ] - [ 0.0001865100000000, 0.0000480800000000, 0.0002546300000000 ] - [ -0.0000015900000000, 0.0000001400000000, 0.0005828400000000 ] - [ 0.0000013100000000, -0.0000007400000000, -0.0000828400000000 ] - [ 0.0000008200000000, 0.0000001400000000, -0.0000324100000000 ] - [ -0.0000009200000000, -0.0000001000000000, 0.0006058500000000 ] - [ 0.0001260800000000, 0.0001368200000000, 0.0002164500000000 ] - [ -0.0000525200000000, -0.0001849200000000, 0.0002542100000000 ]- atom: 37 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0102506900000000, 0.0003062500000000, 0.0062432600000000 ] - [ 0.0079651800000000, 0.0016385500000000, -0.0130121000000000 ] - [ -0.0003146000000000, 0.0010940000000000, 0.0035085400000000 ] - [ 0.0002989700000000, -0.0003529200000000, -0.0038289500000000 ] - [ 0.0034728400000000, -0.0036571500000000, -0.0049002500000000 ] - [ 0.0011237500000000, -0.0005644200000000, 0.0052861800000000 ] - [ -0.0160758400000000, -0.0125106100000000, -0.0201899400000000 ] - [ 0.0004858200000000, 0.0004476700000000, 0.0023116300000000 ] - [ -0.0000038700000000, 0.0001386500000000, 0.0015196800000000 ] - [ -0.0001158300000000, -0.0000705100000000, 0.0015176600000000 ] - [ 0.0000023400000000, 0.0001348000000000, 0.0013864300000000 ] - [ -0.0001004100000000, -0.0000375000000000, 0.0014960900000000 ] - [ 0.0001203300000000, -0.0000647500000000, 0.0015156000000000 ] - [ 0.0001507900000000, -0.0000482800000000, 0.0017370700000000 ] - [ 0.0000055200000000, -0.0000136300000000, 0.0023555700000000 ] - [ -0.0016706100000000, 0.0030591000000000, 0.0020766500000000 ] - [ -0.0000011800000000, 0.0001442500000000, 0.0015464100000000 ] - [ -0.0001133200000000, -0.0000677600000000, 0.0015319500000000 ] - [ 0.0000032200000000, 0.0001362000000000, 0.0015459700000000 ] - [ -0.0001210000000000, -0.0000660800000000, 0.0015464700000000 ] - [ 0.0001216900000000, -0.0000695200000000, 0.0015150700000000 ] - [ 0.0001166200000000, -0.0000726100000000, 0.0015461200000000 ] - [ 0.0000015400000000, 0.0000021900000000, 0.0023183300000000 ] - [ -0.0000000600000000, -0.0000001200000000, 0.0023368800000000 ] - [ 0.0000120200000000, -0.0000418100000000, 0.0002516200000000 ] - [ -0.0019819000000000, 0.0010789400000000, -0.0016751500000000 ] - [ 0.0003050300000000, -0.0000540100000000, 0.0001838600000000 ] - [ 0.0046308000000000, 0.0005327800000000, -0.0035848000000000 ] - [ -0.0001549200000000, -0.0001671700000000, -0.0000032400000000 ] - [ -0.0000017900000000, 0.0000001600000000, 0.0003152400000000 ] - [ -0.0000006100000000, 0.0000019900000000, 0.0003779700000000 ] - [ 0.0000009400000000, 0.0000002700000000, 0.0002446900000000 ] - [ 0.0000007100000000, -0.0000019600000000, 0.0001259500000000 ] - [ -0.0000021800000000, -0.0000004400000000, 0.0002573900000000 ] - [ -0.0000525000000000, 0.0000026500000000, 0.0003187500000000 ] - [ 0.0000018000000000, 0.0000005800000000, 0.0001887700000000 ] - [ 0.0525190800000000, 0.0231951400000000, 0.0349814400000000 ] - [ -0.0003096500000000, -0.0011623500000000, 0.0020659700000000 ] - [ -0.0066129200000000, -0.0098668900000000, -0.0052453100000000 ] - [ -0.0001006500000000, 0.0005548500000000, -0.0000202800000000 ] - [ -0.0008326500000000, -0.0028046700000000, -0.0089468000000000 ] - [ -0.0139210100000000, -0.0101799200000000, 0.0111043000000000 ] - [ 0.0007666600000000, -0.0007723300000000, -0.0017325100000000 ] - [ 0.0020719400000000, 0.0050597000000000, 0.0090129400000000 ] - [ 0.0036123400000000, 0.0000346000000000, 0.0057630300000000 ] - [ 0.0006230900000000, 0.0009514700000000, 0.0012446200000000 ] - [ -0.0048843800000000, -0.0010605500000000, -0.0120899600000000 ] - [ -0.0011925300000000, -0.0006320700000000, -0.0021306500000000 ] - [ -0.0043592300000000, -0.0055838800000000, -0.0050743700000000 ] - [ -0.0046883100000000, 0.0008075300000000, 0.0050250100000000 ] - [ 0.0001720900000000, -0.0002217200000000, -0.0004009000000000 ] - [ 0.0002154700000000, 0.0014735800000000, -0.0000828100000000 ] - [ 0.0005852800000000, -0.0006652100000000, 0.0020823800000000 ] - [ 0.0005391000000000, 0.0019466700000000, 0.0048775400000000 ] - [ 0.0007028900000000, -0.0001020700000000, -0.0006367300000000 ] - [ -0.0005693000000000, -0.0005044200000000, 0.0004682400000000 ] - [ -0.0112079100000000, 0.0097054700000000, -0.0098389700000000 ] - [ -0.0009936700000000, -0.0001191500000000, -0.0004371300000000 ] - [ -0.0007388900000000, -0.0004159700000000, -0.0013177700000000 ] - [ 0.0004953500000000, -0.0001486000000000, -0.0008285400000000 ] - [ 0.0003723100000000, -0.0003752400000000, -0.0008527500000000 ] - [ 0.0001307800000000, 0.0006773000000000, -0.0011406400000000 ] - [ -0.0003749100000000, -0.0003509300000000, -0.0008306300000000 ] - [ 0.0007307000000000, -0.0004274000000000, -0.0013105300000000 ] - [ 0.0007669800000000, -0.0005184400000000, -0.0011867600000000 ] - [ 0.0001212800000000, 0.0004915700000000, -0.0008386600000000 ] - [ 0.0000105600000000, 0.0008467500000000, -0.0013097300000000 ] - [ -0.0001180100000000, 0.0005044200000000, -0.0008288100000000 ] - [ -0.0004959500000000, -0.0001401900000000, -0.0008905800000000 ] - [ -0.0007622100000000, -0.0008753100000000, -0.0015057800000000 ] - [ 0.0001330400000000, -0.0001397200000000, -0.0002559700000000 ] - [ -0.0001865500000000, -0.0000489100000000, -0.0002564200000000 ] - [ -0.0000797200000000, 0.0001518900000000, -0.0002047500000000 ] - [ 0.0001929900000000, -0.0001030500000000, -0.0002303600000000 ] - [ -0.0000012100000000, 0.0000009000000000, 0.0000297100000000 ] - [ 0.0000020400000000, 0.0000004900000000, -0.0006067300000000 ] - [ -0.0000226100000000, 0.0000336200000000, -0.0005876200000000 ] - [ 0.0000182100000000, -0.0000116400000000, 0.0000786900000000 ] - [ 0.0000534600000000, 0.0001851700000000, -0.0002563400000000 ] - [ -0.0001389700000000, -0.0001087100000000, -0.0002229800000000 ] - [ -0.0007344700000000, -0.0004134500000000, -0.0012385900000000 ] - [ 0.0004758500000000, -0.0001486900000000, -0.0008378200000000 ] - [ 0.0003706200000000, -0.0003605400000000, -0.0007786100000000 ] - [ -0.0000087100000000, 0.0008542400000000, -0.0012641000000000 ] - [ -0.0004046100000000, -0.0004168700000000, -0.0009002100000000 ] - [ 0.0007200700000000, -0.0004290000000000, -0.0012280300000000 ] - [ 0.0007425700000000, -0.0004250100000000, -0.0012616900000000 ] - [ 0.0001235400000000, 0.0004979000000000, -0.0007801100000000 ] - [ 0.0000111500000000, 0.0008413700000000, -0.0012335900000000 ] - [ -0.0001620800000000, 0.0004402400000000, -0.0008491200000000 ] - [ -0.0004975400000000, -0.0001426600000000, -0.0007791700000000 ] - [ -0.0007376800000000, -0.0004350900000000, -0.0012628500000000 ] - [ 0.0001303800000000, -0.0001310200000000, -0.0002170700000000 ] - [ -0.0001802800000000, -0.0000461900000000, -0.0002183500000000 ] - [ -0.0000522100000000, 0.0001874200000000, -0.0001794600000000 ] - [ 0.0001870500000000, -0.0000456800000000, -0.0001800000000000 ] - [ 0.0000000500000000, 0.0000003900000000, 0.0000797400000000 ] - [ -0.0000019000000000, 0.0000013600000000, -0.0005846700000000 ] - [ 0.0000008700000000, 0.0000000100000000, -0.0005354300000000 ] - [ -0.0000008600000000, -0.0000005600000000, 0.0001015200000000 ] - [ 0.0000496200000000, 0.0001702500000000, -0.0002184100000000 ] - [ -0.0001344500000000, -0.0001380100000000, -0.0001804500000000 ]- atom: 37 displacement: [ -0.0050000000122993, 0.0086602540307434, 0.0000000000000000 ] forces: - [ -0.0029630700000000, 0.0007785500000000, -0.0133555500000000 ] - [ -0.0028514100000000, -0.0056288700000000, 0.0059203800000000 ] - [ -0.0009021700000000, -0.0012459000000000, -0.0056416100000000 ] - [ 0.0001703700000000, 0.0000741300000000, -0.0049949000000000 ] - [ 0.0058822800000000, -0.0059792300000000, 0.0131207100000000 ] - [ 0.0009223900000000, -0.0002762000000000, 0.0028696200000000 ] - [ 0.0022406600000000, 0.0262216600000000, 0.0301412800000000 ] - [ 0.0006736000000000, 0.0001492500000000, -0.0030771700000000 ] - [ -0.0000041900000000, -0.0001802600000000, -0.0020336600000000 ] - [ 0.0001583900000000, 0.0000878800000000, -0.0020328300000000 ] - [ 0.0000090900000000, -0.0002692800000000, -0.0021949200000000 ] - [ 0.0001417500000000, 0.0000757900000000, -0.0018936200000000 ] - [ -0.0001538200000000, 0.0000931100000000, -0.0020301300000000 ] - [ -0.0001367000000000, 0.0000686600000000, -0.0019643100000000 ] - [ -0.0000193300000000, -0.0000217200000000, -0.0030584800000000 ] - [ 0.0011437600000000, -0.0019397100000000, -0.0034885800000000 ] - [ 0.0000030200000000, -0.0001856300000000, -0.0020220900000000 ] - [ 0.0001565800000000, 0.0000866800000000, -0.0019908000000000 ] - [ 0.0000029400000000, -0.0001811200000000, -0.0020042200000000 ] - [ 0.0001537600000000, 0.0000919800000000, -0.0020036700000000 ] - [ -0.0001533400000000, 0.0000860500000000, -0.0020425400000000 ] - [ -0.0001578300000000, 0.0000859500000000, -0.0020033400000000 ] - [ -0.0000026700000000, -0.0000005700000000, -0.0030964400000000 ] - [ 0.0000004400000000, -0.0000009800000000, -0.0030784900000000 ] - [ -0.0000131400000000, -0.0000401300000000, -0.0003178700000000 ] - [ -0.0004552600000000, 0.0009989700000000, 0.0016273900000000 ] - [ -0.0001177200000000, 0.0000375100000000, -0.0003684400000000 ] - [ 0.0003969600000000, 0.0012432000000000, 0.0018062900000000 ] - [ 0.0000044800000000, 0.0001217200000000, -0.0003121100000000 ] - [ -0.0000005800000000, -0.0000009400000000, -0.0002662300000000 ] - [ -0.0000006500000000, 0.0000019200000000, -0.0002053300000000 ] - [ 0.0000018400000000, 0.0000023300000000, -0.0003383700000000 ] - [ 0.0000007000000000, -0.0000019900000000, -0.0004584800000000 ] - [ -0.0000020500000000, 0.0000001300000000, -0.0003247000000000 ] - [ -0.0000392200000000, 0.0000245300000000, -0.0002563300000000 ] - [ 0.0000020700000000, 0.0000005700000000, -0.0003961700000000 ] - [ 0.0064559300000000, -0.0849851000000000, -0.0349905400000000 ] - [ 0.0005905200000000, 0.0003375400000000, -0.0000151300000000 ] - [ 0.0056156800000000, 0.0143077700000000, 0.0086654100000000 ] - [ -0.0005829100000000, -0.0001350500000000, 0.0020182700000000 ] - [ -0.0031194300000000, 0.0053694100000000, 0.0067097400000000 ] - [ 0.0090786800000000, 0.0007231000000000, -0.0098499400000000 ] - [ 0.0002396400000000, 0.0008186700000000, 0.0016444300000000 ] - [ -0.0038860600000000, 0.0037456300000000, 0.0112456500000000 ] - [ -0.0051396000000000, 0.0212262200000000, -0.0153302300000000 ] - [ -0.0007172000000000, 0.0013614600000000, -0.0008355600000000 ] - [ -0.0012790800000000, -0.0058934500000000, -0.0067626200000000 ] - [ -0.0002514400000000, -0.0006336700000000, 0.0000119600000000 ] - [ 0.0056306100000000, 0.0033157800000000, 0.0011767000000000 ] - [ -0.0056652800000000, 0.0010556700000000, 0.0029480600000000 ] - [ 0.0008508500000000, 0.0005222600000000, 0.0000036100000000 ] - [ -0.0001349900000000, 0.0013733500000000, 0.0004374800000000 ] - [ 0.0005654000000000, -0.0001622800000000, -0.0019167100000000 ] - [ -0.0064650100000000, 0.0199210900000000, 0.0139825700000000 ] - [ 0.0003782900000000, -0.0005279300000000, 0.0001325100000000 ] - [ -0.0011578600000000, 0.0005372000000000, 0.0011452500000000 ] - [ -0.0046204900000000, 0.0030104100000000, -0.0080825800000000 ] - [ 0.0000434400000000, -0.0004668200000000, 0.0001500100000000 ] - [ -0.0003090200000000, 0.0004872700000000, 0.0011153900000000 ] - [ -0.0000703300000000, -0.0009670900000000, 0.0015949000000000 ] - [ 0.0008022900000000, 0.0005795600000000, 0.0016349700000000 ] - [ -0.0005831900000000, 0.0001197000000000, 0.0009912400000000 ] - [ -0.0008009900000000, 0.0005489500000000, 0.0015939500000000 ] - [ -0.0002580000000000, -0.0005071100000000, 0.0011119300000000 ] - [ 0.0000147600000000, 0.0009510500000000, 0.0015988700000000 ] - [ -0.0008476100000000, 0.0004173700000000, 0.0015290700000000 ] - [ 0.0005756900000000, 0.0000330700000000, 0.0011079700000000 ] - [ 0.0008731500000000, 0.0004236900000000, 0.0015940500000000 ] - [ 0.0000580500000000, -0.0009389200000000, 0.0015477000000000 ] - [ 0.0001768800000000, -0.0003959600000000, 0.0010569700000000 ] - [ 0.0000392000000000, -0.0001931400000000, 0.0002494800000000 ] - [ -0.0001858800000000, 0.0000612100000000, 0.0002494400000000 ] - [ -0.0001588800000000, 0.0001092400000000, 0.0002823600000000 ] - [ 0.0001818400000000, 0.0000558900000000, 0.0002884200000000 ] - [ -0.0000011500000000, 0.0000004400000000, 0.0006153100000000 ] - [ 0.0000008600000000, 0.0000008600000000, -0.0000203800000000 ] - [ 0.0000387600000000, 0.0000397900000000, 0.0000027700000000 ] - [ 0.0000024400000000, -0.0000176000000000, 0.0006668200000000 ] - [ 0.0001478400000000, 0.0001295800000000, 0.0002492000000000 ] - [ -0.0000847000000000, -0.0001378800000000, 0.0002761300000000 ] - [ -0.0003082200000000, 0.0004919300000000, 0.0011950500000000 ] - [ -0.0000981300000000, -0.0009438100000000, 0.0015374800000000 ] - [ 0.0007972200000000, 0.0005395400000000, 0.0016459900000000 ] - [ -0.0005735000000000, 0.0000379100000000, 0.0011594900000000 ] - [ -0.0008583200000000, 0.0005456000000000, 0.0015854300000000 ] - [ -0.0002662800000000, -0.0005095900000000, 0.0011876100000000 ] - [ 0.0003169900000000, 0.0004740700000000, 0.0011632400000000 ] - [ -0.0008681200000000, 0.0004174700000000, 0.0016433000000000 ] - [ 0.0005754100000000, 0.0000256500000000, 0.0011910000000000 ] - [ 0.0008321300000000, 0.0003918400000000, 0.0015851400000000 ] - [ 0.0000683700000000, -0.0009607300000000, 0.0016440500000000 ] - [ 0.0002526800000000, -0.0005159300000000, 0.0011607400000000 ] - [ 0.0000355500000000, -0.0001858800000000, 0.0002865300000000 ] - [ -0.0001787400000000, 0.0000671600000000, 0.0002879000000000 ] - [ -0.0001465400000000, 0.0001320700000000, 0.0003260600000000 ] - [ 0.0001860900000000, 0.0000634300000000, 0.0003256500000000 ] - [ 0.0000072700000000, 0.0000024000000000, 0.0006659100000000 ] - [ -0.0000033700000000, -0.0000009600000000, 0.0000014400000000 ] - [ 0.0000008900000000, 0.0000000200000000, 0.0000506700000000 ] - [ -0.0000010400000000, -0.0000002900000000, 0.0006871700000000 ] - [ 0.0001350200000000, 0.0001209900000000, 0.0002858500000000 ] - [ -0.0000390000000000, -0.0001921300000000, 0.0003251000000000 ]- atom: 37 displacement: [ 0.0050000000122993, -0.0086602540307434, 0.0000000000000000 ] forces: - [ 0.0029045600000000, -0.0009298700000000, 0.0130202200000000 ] - [ 0.0028130500000000, 0.0056298800000000, -0.0059703000000000 ] - [ 0.0009008500000000, 0.0012464700000000, 0.0056208800000000 ] - [ -0.0001661800000000, -0.0000869400000000, 0.0050084600000000 ] - [ -0.0058167700000000, 0.0059483900000000, -0.0132941000000000 ] - [ -0.0009241400000000, 0.0002828700000000, -0.0028960900000000 ] - [ -0.0029858200000000, -0.0266636200000000, -0.0309476100000000 ] - [ -0.0006765100000000, -0.0001537300000000, 0.0031432500000000 ] - [ 0.0000107200000000, 0.0001822000000000, 0.0020224400000000 ] - [ -0.0001609900000000, -0.0000814500000000, 0.0020243200000000 ] - [ -0.0000231800000000, 0.0002706400000000, 0.0022135000000000 ] - [ -0.0001372300000000, -0.0000901800000000, 0.0019165600000000 ] - [ 0.0001524500000000, -0.0000984400000000, 0.0020205700000000 ] - [ 0.0001444600000000, -0.0000570300000000, 0.0019808200000000 ] - [ 0.0000213700000000, 0.0000212200000000, 0.0031247800000000 ] - [ -0.0011860700000000, 0.0020326200000000, 0.0034798200000000 ] - [ 0.0000118600000000, 0.0001884100000000, 0.0020404900000000 ] - [ -0.0001654800000000, -0.0000751700000000, 0.0020102600000000 ] - [ -0.0000094900000000, 0.0001814000000000, 0.0020525100000000 ] - [ -0.0001531600000000, -0.0000996500000000, 0.0020508000000000 ] - [ 0.0001488400000000, -0.0000973400000000, 0.0020610400000000 ] - [ 0.0001606000000000, -0.0000817600000000, 0.0020494400000000 ] - [ 0.0000032700000000, -0.0000016500000000, 0.0030883300000000 ] - [ -0.0000005700000000, 0.0000019800000000, 0.0031071800000000 ] - [ 0.0000145500000000, 0.0000362400000000, 0.0002954900000000 ] - [ 0.0003475200000000, -0.0006882100000000, -0.0015511400000000 ] - [ 0.0001213900000000, -0.0000337700000000, 0.0003963900000000 ] - [ -0.0003609400000000, -0.0012368700000000, -0.0020901900000000 ] - [ -0.0000047800000000, -0.0001324100000000, 0.0001714600000000 ] - [ -0.0000033800000000, -0.0000001600000000, 0.0004154600000000 ] - [ -0.0000009300000000, 0.0000019900000000, 0.0004771900000000 ] - [ 0.0000032800000000, -0.0000019100000000, 0.0003098300000000 ] - [ 0.0000009000000000, -0.0000017600000000, 0.0001925800000000 ] - [ -0.0000021900000000, -0.0000007700000000, 0.0003537600000000 ] - [ 0.0000385800000000, -0.0000196300000000, 0.0003996900000000 ] - [ 0.0000018700000000, 0.0000004500000000, 0.0002592000000000 ] - [ -0.0067949100000000, 0.0853879600000000, 0.0358302300000000 ] - [ -0.0000789100000000, -0.0013416200000000, 0.0005981700000000 ] - [ -0.0044571800000000, -0.0143224900000000, -0.0082102600000000 ] - [ 0.0000758800000000, 0.0011264400000000, -0.0025818400000000 ] - [ 0.0020619100000000, -0.0053530100000000, -0.0064076600000000 ] - [ -0.0084558100000000, -0.0016180000000000, 0.0094711000000000 ] - [ 0.0008661400000000, -0.0008794100000000, -0.0021850500000000 ] - [ 0.0032978500000000, -0.0028090600000000, -0.0109493000000000 ] - [ 0.0056537700000000, -0.0205663600000000, 0.0150608300000000 ] - [ 0.0013298000000000, -0.0004266500000000, 0.0014275800000000 ] - [ 0.0008049500000000, 0.0048859200000000, 0.0072343700000000 ] - [ -0.0003511300000000, -0.0003001400000000, -0.0005599800000000 ] - [ -0.0055169600000000, -0.0037032500000000, -0.0011029000000000 ] - [ 0.0052800600000000, -0.0010742900000000, -0.0028338200000000 ] - [ -0.0010383700000000, -0.0001929200000000, -0.0000796100000000 ] - [ 0.0005132900000000, -0.0013756500000000, -0.0005168500000000 ] - [ -0.0005503600000000, 0.0002219700000000, 0.0026232600000000 ] - [ 0.0064346300000000, -0.0197107500000000, -0.0143053600000000 ] - [ -0.0003784300000000, 0.0005270200000000, -0.0008481300000000 ] - [ 0.0011623100000000, -0.0005408700000000, -0.0005848700000000 ] - [ 0.0048203900000000, -0.0026519600000000, 0.0082392400000000 ] - [ -0.0002321000000000, 0.0001418800000000, -0.0002273000000000 ] - [ -0.0007999400000000, -0.0005436700000000, -0.0016683200000000 ] - [ 0.0005788100000000, -0.0000283200000000, -0.0011688400000000 ] - [ 0.0002937900000000, -0.0005477700000000, -0.0012660800000000 ] - [ 0.0000777200000000, 0.0008479500000000, -0.0013918300000000 ] - [ -0.0003111200000000, -0.0004859800000000, -0.0011694800000000 ] - [ 0.0008644700000000, -0.0004202900000000, -0.0016612300000000 ] - [ 0.0010846400000000, -0.0010043100000000, -0.0019905900000000 ] - [ 0.0002664500000000, 0.0005089000000000, -0.0011665700000000 ] - [ -0.0000685100000000, 0.0009578300000000, -0.0016573500000000 ] - [ -0.0002644400000000, 0.0005164500000000, -0.0011694300000000 ] - [ -0.0005800800000000, -0.0000292600000000, -0.0011772100000000 ] - [ -0.0007653300000000, -0.0005458800000000, -0.0014497200000000 ] - [ 0.0001481900000000, -0.0001336000000000, -0.0003277500000000 ] - [ -0.0001900900000000, -0.0000637000000000, -0.0003282800000000 ] - [ -0.0000163900000000, 0.0002016100000000, -0.0002844400000000 ] - [ 0.0001769300000000, -0.0000539400000000, -0.0002918200000000 ] - [ -0.0000008900000000, -0.0000008200000000, -0.0000512500000000 ] - [ 0.0000015000000000, 0.0000013500000000, -0.0006938000000000 ] - [ -0.0000388400000000, -0.0000404900000000, -0.0006755700000000 ] - [ -0.0000040200000000, 0.0000153800000000, -0.0000008700000000 ] - [ 0.0000405800000000, 0.0001947900000000, -0.0003281200000000 ] - [ -0.0000933400000000, -0.0001705400000000, -0.0002792700000000 ] - [ -0.0007911300000000, -0.0005327500000000, -0.0015912300000000 ] - [ 0.0006174100000000, -0.0000223600000000, -0.0011688600000000 ] - [ 0.0003076800000000, -0.0004930800000000, -0.0011200400000000 ] - [ 0.0000683700000000, 0.0009660200000000, -0.0016148100000000 ] - [ -0.0002342400000000, -0.0005059500000000, -0.0012191000000000 ] - [ 0.0008567900000000, -0.0004160700000000, -0.0015775800000000 ] - [ 0.0008000600000000, -0.0005461000000000, -0.0016110200000000 ] - [ 0.0002715300000000, 0.0005106100000000, -0.0011185800000000 ] - [ -0.0000605300000000, 0.0009520400000000, -0.0015807400000000 ] - [ -0.0002539000000000, 0.0005438000000000, -0.0012208700000000 ] - [ -0.0005813500000000, -0.0000215700000000, -0.0011173000000000 ] - [ -0.0008731200000000, -0.0004243200000000, -0.0016111400000000 ] - [ 0.0001436400000000, -0.0001243400000000, -0.0002897200000000 ] - [ -0.0001775000000000, -0.0000681400000000, -0.0002905500000000 ] - [ -0.0000391900000000, 0.0001977100000000, -0.0002517700000000 ] - [ 0.0001893900000000, -0.0000631000000000, -0.0002518400000000 ] - [ -0.0000085800000000, -0.0000026000000000, -0.0000014300000000 ] - [ 0.0000013000000000, 0.0000008600000000, -0.0006720900000000 ] - [ -0.0000008400000000, 0.0000000700000000, -0.0006222400000000 ] - [ -0.0000005000000000, 0.0000012200000000, 0.0000206300000000 ] - [ 0.0000425300000000, 0.0001884800000000, -0.0002886500000000 ] - [ -0.0001470500000000, -0.0001333700000000, -0.0002523700000000 ]- atom: 37 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0158557100000000, 0.0097298500000000, 0.0871879600000000 ] - [ -0.0097890500000000, -0.0026666800000000, 0.0377812100000000 ] - [ -0.0000145500000000, -0.0015633300000000, -0.0080951900000000 ] - [ 0.0007340300000000, 0.0002640800000000, -0.0100863900000000 ] - [ -0.0009458900000000, 0.0008013500000000, 0.0371293400000000 ] - [ -0.0005811600000000, -0.0000521800000000, -0.0096909700000000 ] - [ -0.0049243500000000, -0.0110722900000000, 0.0514277400000000 ] - [ -0.0000287900000000, 0.0002407200000000, -0.0133099200000000 ] - [ -0.0000103700000000, -0.0007803300000000, -0.0087329200000000 ] - [ 0.0006783600000000, 0.0003816400000000, -0.0087251400000000 ] - [ -0.0000419800000000, -0.0008716800000000, -0.0084541300000000 ] - [ 0.0006788900000000, 0.0003637100000000, -0.0089488100000000 ] - [ -0.0006685800000000, 0.0003965600000000, -0.0087166000000000 ] - [ -0.0006804700000000, 0.0003118700000000, -0.0087873500000000 ] - [ 0.0000129900000000, 0.0000076800000000, -0.0132701200000000 ] - [ 0.0070427600000000, -0.0139993400000000, -0.0138173800000000 ] - [ -0.0000014800000000, -0.0007955600000000, -0.0087682100000000 ] - [ 0.0006717600000000, 0.0003762500000000, -0.0086524000000000 ] - [ 0.0000086700000000, -0.0007796400000000, -0.0086960600000000 ] - [ 0.0006687200000000, 0.0003961100000000, -0.0086952300000000 ] - [ -0.0006636600000000, 0.0003946500000000, -0.0087115700000000 ] - [ -0.0006794300000000, 0.0003800600000000, -0.0086957800000000 ] - [ -0.0000063300000000, -0.0000076000000000, -0.0133060700000000 ] - [ 0.0000010100000000, -0.0000018400000000, -0.0132887300000000 ] - [ 0.0000189300000000, -0.0000087800000000, -0.0014295100000000 ] - [ -0.0004286600000000, 0.0009613500000000, 0.0083759100000000 ] - [ -0.0009150500000000, 0.0000686700000000, -0.0011133100000000 ] - [ 0.0033380600000000, 0.0003672200000000, 0.0062241300000000 ] - [ 0.0002930200000000, 0.0009938900000000, -0.0013236600000000 ] - [ -0.0000036100000000, -0.0000001300000000, -0.0013688400000000 ] - [ -0.0000007000000000, 0.0000018100000000, -0.0013053200000000 ] - [ 0.0000014100000000, 0.0000002400000000, -0.0014375200000000 ] - [ 0.0000004500000000, -0.0000019500000000, -0.0015593200000000 ] - [ -0.0000023200000000, 0.0000003400000000, -0.0014263700000000 ] - [ -0.0000053400000000, -0.0000041500000000, -0.0013490000000000 ] - [ 0.0000025900000000, 0.0000004300000000, -0.0014953300000000 ] - [ -0.0354087600000000, -0.0608572400000000, -0.2054944600000000 ] - [ 0.0005691200000000, 0.0017493400000000, -0.0038443500000000 ] - [ 0.0060793500000000, 0.0129694000000000, 0.0118002700000000 ] - [ -0.0014472800000000, -0.0012898700000000, 0.0060539300000000 ] - [ -0.0097414600000000, 0.0129436700000000, 0.0415686000000000 ] - [ 0.0215575200000000, 0.0049220400000000, -0.0388863000000000 ] - [ -0.0004427100000000, 0.0026186700000000, 0.0058420300000000 ] - [ -0.0054711700000000, 0.0115230600000000, 0.0136287400000000 ] - [ -0.0094222700000000, 0.0192043900000000, -0.0388993000000000 ] - [ -0.0018228100000000, 0.0005689400000000, -0.0047549200000000 ] - [ 0.0107545700000000, 0.0033128000000000, 0.0136427500000000 ] - [ 0.0022710400000000, -0.0004303300000000, 0.0056458300000000 ] - [ 0.0151446800000000, 0.0125887200000000, -0.0014939900000000 ] - [ -0.0073783000000000, -0.0000087400000000, -0.0015561500000000 ] - [ -0.0003671200000000, 0.0002856800000000, 0.0009860400000000 ] - [ 0.0003357200000000, 0.0008364300000000, 0.0016201600000000 ] - [ -0.0060932300000000, -0.0130051100000000, 0.0033993200000000 ] - [ -0.0067392200000000, 0.0195274700000000, -0.0017400100000000 ] - [ -0.0000487900000000, 0.0000287600000000, 0.0009144400000000 ] - [ -0.0004174700000000, -0.0002520200000000, 0.0016010800000000 ] - [ 0.0197419900000000, -0.0145311200000000, 0.0042220200000000 ] - [ 0.0004182000000000, 0.0001527300000000, 0.0011652600000000 ] - [ 0.0004955500000000, 0.0021889100000000, 0.0056962300000000 ] - [ -0.0011345200000000, -0.0025061600000000, 0.0061663700000000 ] - [ 0.0015891500000000, 0.0022989400000000, 0.0061757600000000 ] - [ -0.0025655900000000, -0.0005459700000000, 0.0061360500000000 ] - [ -0.0016026300000000, 0.0022412100000000, 0.0061690200000000 ] - [ -0.0021305400000000, -0.0006615300000000, 0.0056791500000000 ] - [ -0.0009304500000000, 0.0030463400000000, 0.0059226900000000 ] - [ -0.0027396700000000, 0.0002939200000000, 0.0061271600000000 ] - [ 0.0016383900000000, -0.0015076900000000, 0.0056666900000000 ] - [ 0.0027369900000000, 0.0002717900000000, 0.0061656600000000 ] - [ 0.0010934600000000, -0.0024495900000000, 0.0061269200000000 ] - [ 0.0018524500000000, 0.0004486300000000, 0.0057251000000000 ] - [ -0.0001389700000000, -0.0002921200000000, 0.0012034100000000 ] - [ -0.0001830500000000, 0.0002679200000000, 0.0012036600000000 ] - [ -0.0003178500000000, 0.0000958100000000, 0.0012223700000000 ] - [ 0.0001209700000000, 0.0002671400000000, 0.0012657400000000 ] - [ -0.0000011400000000, -0.0000001300000000, 0.0017209600000000 ] - [ -0.0000007600000000, 0.0000018100000000, 0.0010851000000000 ] - [ 0.0000329900000000, -0.0000342600000000, 0.0010967000000000 ] - [ 0.0000038500000000, 0.0000314500000000, 0.0017684000000000 ] - [ 0.0003251800000000, 0.0000223900000000, 0.0012031700000000 ] - [ 0.0001699600000000, -0.0002647900000000, 0.0012385500000000 ] - [ 0.0004982800000000, 0.0021936900000000, 0.0057754400000000 ] - [ -0.0011010000000000, -0.0024545900000000, 0.0060534400000000 ] - [ 0.0015983300000000, 0.0022303600000000, 0.0062176900000000 ] - [ -0.0016417700000000, -0.0015068800000000, 0.0057278900000000 ] - [ -0.0016339900000000, 0.0022773800000000, 0.0062552300000000 ] - [ -0.0021308100000000, -0.0006612300000000, 0.0057481100000000 ] - [ -0.0004865700000000, 0.0021712100000000, 0.0057322300000000 ] - [ -0.0027325200000000, 0.0002662200000000, 0.0062144900000000 ] - [ 0.0016447400000000, -0.0015178100000000, 0.0057560800000000 ] - [ 0.0027359400000000, 0.0002518300000000, 0.0061320800000000 ] - [ 0.0011321100000000, -0.0024997100000000, 0.0062170100000000 ] - [ 0.0021245000000000, -0.0006686900000000, 0.0057286800000000 ] - [ -0.0001533000000000, -0.0002926800000000, 0.0012415400000000 ] - [ -0.0001680700000000, 0.0002755000000000, 0.0012419800000000 ] - [ -0.0003232300000000, 0.0000260700000000, 0.0012801500000000 ] - [ 0.0001823900000000, 0.0002691100000000, 0.0012797100000000 ] - [ 0.0000126900000000, 0.0000080500000000, 0.0017702400000000 ] - [ -0.0000018300000000, -0.0000049900000000, 0.0011057900000000 ] - [ 0.0000006900000000, 0.0000000600000000, 0.0011557600000000 ] - [ -0.0000004700000000, -0.0000003600000000, 0.0017930100000000 ] - [ 0.0003018200000000, 0.0000246500000000, 0.0012391900000000 ] - [ 0.0001410600000000, -0.0002918800000000, 0.0012792700000000 ]- atom: 37 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0150674300000000, -0.0083801800000000, -0.0801741600000000 ] - [ 0.0096958300000000, 0.0026233400000000, -0.0373241500000000 ] - [ 0.0000081600000000, 0.0015588200000000, 0.0079664600000000 ] - [ -0.0007341800000000, -0.0002680000000000, 0.0100484700000000 ] - [ 0.0008990900000000, -0.0007797800000000, -0.0366385700000000 ] - [ 0.0005702000000000, 0.0000548900000000, 0.0096370700000000 ] - [ 0.0039472100000000, 0.0089079800000000, -0.0522057300000000 ] - [ 0.0000270800000000, -0.0002391000000000, 0.0132887000000000 ] - [ 0.0000093000000000, 0.0007778300000000, 0.0086646900000000 ] - [ -0.0006730800000000, -0.0003805000000000, 0.0086585900000000 ] - [ 0.0000386500000000, 0.0008641800000000, 0.0084209400000000 ] - [ -0.0006757100000000, -0.0003664800000000, 0.0089110400000000 ] - [ 0.0006653600000000, -0.0003922100000000, 0.0086500700000000 ] - [ 0.0006779500000000, -0.0003093200000000, 0.0087459800000000 ] - [ -0.0000122800000000, -0.0000051400000000, 0.0132486700000000 ] - [ -0.0069296900000000, 0.0137924100000000, 0.0136991800000000 ] - [ 0.0000056000000000, 0.0007944800000000, 0.0087296100000000 ] - [ -0.0006708800000000, -0.0003707400000000, 0.0086143000000000 ] - [ -0.0000081600000000, 0.0007735600000000, 0.0086869400000000 ] - [ -0.0006683900000000, -0.0003943000000000, 0.0086862300000000 ] - [ 0.0006599700000000, -0.0003963100000000, 0.0086725800000000 ] - [ 0.0006745700000000, -0.0003796300000000, 0.0086852500000000 ] - [ 0.0000078000000000, 0.0000063000000000, 0.0132084900000000 ] - [ -0.0000001000000000, 0.0000027400000000, 0.0132294400000000 ] - [ -0.0000176900000000, 0.0000047100000000, 0.0013996600000000 ] - [ 0.0003811600000000, -0.0008032200000000, -0.0081866400000000 ] - [ 0.0009001200000000, -0.0000634200000000, 0.0011387200000000 ] - [ -0.0032473900000000, -0.0003566700000000, -0.0065631900000000 ] - [ -0.0002878700000000, -0.0009848300000000, 0.0011857900000000 ] - [ -0.0000004200000000, -0.0000010800000000, 0.0015014700000000 ] - [ -0.0000007700000000, 0.0000018700000000, 0.0015634600000000 ] - [ 0.0000036400000000, -0.0000001100000000, 0.0014060100000000 ] - [ 0.0000008300000000, -0.0000018100000000, 0.0012872100000000 ] - [ -0.0000020300000000, -0.0000011300000000, 0.0014442200000000 ] - [ 0.0000043700000000, 0.0000083900000000, 0.0014795100000000 ] - [ 0.0000013000000000, 0.0000003700000000, 0.0013508600000000 ] - [ 0.0342782300000000, 0.0611938200000000, 0.1987117300000000 ] - [ -0.0000376000000000, -0.0026766900000000, 0.0042921700000000 ] - [ -0.0049575600000000, -0.0129070300000000, -0.0114463400000000 ] - [ 0.0009258900000000, 0.0022558400000000, -0.0065774200000000 ] - [ 0.0084981400000000, -0.0127405300000000, -0.0402955200000000 ] - [ -0.0207816300000000, -0.0057364100000000, 0.0382620900000000 ] - [ 0.0015418400000000, -0.0026611900000000, -0.0063585200000000 ] - [ 0.0050493300000000, -0.0107046400000000, -0.0133447500000000 ] - [ 0.0099120500000000, -0.0179810600000000, 0.0382516200000000 ] - [ 0.0023583500000000, 0.0003756500000000, 0.0051868000000000 ] - [ -0.0114494100000000, -0.0042542200000000, -0.0133302200000000 ] - [ -0.0028506100000000, -0.0005073900000000, -0.0061611400000000 ] - [ -0.0147645900000000, -0.0127615000000000, 0.0014658100000000 ] - [ 0.0069358500000000, 0.0000328800000000, 0.0015593600000000 ] - [ 0.0001957700000000, 0.0000490300000000, -0.0010484300000000 ] - [ 0.0000369700000000, -0.0008466000000000, -0.0016986700000000 ] - [ 0.0059903300000000, 0.0127867000000000, -0.0026392100000000 ] - [ 0.0066703500000000, -0.0193312300000000, 0.0010255700000000 ] - [ 0.0000488800000000, -0.0000338900000000, -0.0016079200000000 ] - [ 0.0004112500000000, 0.0002678300000000, -0.0010219100000000 ] - [ -0.0192394500000000, 0.0146396300000000, -0.0041657900000000 ] - [ -0.0006100300000000, -0.0004804700000000, -0.0012380600000000 ] - [ -0.0015933200000000, -0.0022237200000000, -0.0062140500000000 ] - [ 0.0016372100000000, 0.0015049200000000, -0.0056973000000000 ] - [ -0.0004909500000000, -0.0022590400000000, -0.0057637500000000 ] - [ 0.0020269800000000, 0.0015117700000000, -0.0064918100000000 ] - [ 0.0004877500000000, -0.0021715400000000, -0.0056989400000000 ] - [ 0.0027134200000000, -0.0002667100000000, -0.0061916900000000 ] - [ 0.0020099100000000, -0.0030629100000000, -0.0062755600000000 ] - [ 0.0021483300000000, 0.0006312800000000, -0.0057212200000000 ] - [ -0.0011179800000000, 0.0024772500000000, -0.0061846100000000 ] - [ -0.0021227700000000, 0.0006664900000000, -0.0056931400000000 ] - [ -0.0016110700000000, 0.0014752200000000, -0.0057164300000000 ] - [ -0.0024215400000000, -0.0013687100000000, -0.0060756200000000 ] - [ 0.0003224200000000, -0.0000328500000000, -0.0012732300000000 ] - [ -0.0001881400000000, -0.0002712200000000, -0.0012738300000000 ] - [ 0.0001420400000000, 0.0002109200000000, -0.0012159800000000 ] - [ 0.0002318000000000, -0.0002654100000000, -0.0012602100000000 ] - [ -0.0000030000000000, 0.0000009000000000, -0.0011482700000000 ] - [ 0.0000049700000000, -0.0000001000000000, -0.0017872200000000 ] - [ -0.0000339800000000, 0.0000346400000000, -0.0017572600000000 ] - [ -0.0000040500000000, -0.0000330900000000, -0.0010961500000000 ] - [ -0.0001352100000000, 0.0002983600000000, -0.0012738000000000 ] - [ -0.0003422800000000, -0.0000383700000000, -0.0012334800000000 ] - [ -0.0015875100000000, -0.0022140700000000, -0.0061354000000000 ] - [ 0.0016152400000000, 0.0014810300000000, -0.0056420000000000 ] - [ -0.0004904300000000, -0.0021762700000000, -0.0056459900000000 ] - [ 0.0011224800000000, 0.0024892500000000, -0.0061500800000000 ] - [ 0.0005384600000000, -0.0022306500000000, -0.0058473600000000 ] - [ 0.0026975800000000, -0.0002661000000000, -0.0061031300000000 ] - [ 0.0015920100000000, -0.0022207900000000, -0.0061458900000000 ] - [ 0.0021267000000000, 0.0006603400000000, -0.0056439800000000 ] - [ -0.0011157300000000, 0.0024745500000000, -0.0061137300000000 ] - [ -0.0021497100000000, 0.0006815500000000, -0.0057220400000000 ] - [ -0.0016411700000000, 0.0015117400000000, -0.0056423700000000 ] - [ -0.0027187400000000, -0.0002735700000000, -0.0061475500000000 ] - [ 0.0003258900000000, -0.0000144400000000, -0.0012367800000000 ] - [ -0.0001833400000000, -0.0002761100000000, -0.0012362800000000 ] - [ 0.0001388100000000, 0.0002997600000000, -0.0011974000000000 ] - [ 0.0001898100000000, -0.0002664900000000, -0.0011976700000000 ] - [ -0.0000157400000000, -0.0000071300000000, -0.0010988000000000 ] - [ 0.0000020700000000, 0.0000037200000000, -0.0017642000000000 ] - [ 0.0000003900000000, 0.0000000600000000, -0.0017163600000000 ] - [ -0.0000024500000000, 0.0000008400000000, -0.0010757900000000 ] - [ -0.0001254800000000, 0.0002802600000000, -0.0012339800000000 ] - [ -0.0003241600000000, -0.0000320000000000, -0.0011980300000000 ]- atom: 49 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0314917100000000, -0.0013409900000000, 0.0050990400000000 ] - [ 0.0010732400000000, 0.0248695900000000, -0.0014459900000000 ] - [ -0.0000261700000000, -0.0000602300000000, 0.0002059500000000 ] - [ 0.0000333500000000, -0.0000551900000000, 0.0005103700000000 ] - [ 0.0212130900000000, 0.0141935200000000, 0.0032880200000000 ] - [ 0.0000274600000000, -0.0000923400000000, 0.0002013600000000 ] - [ 0.0059885300000000, -0.0162345600000000, 0.0005867500000000 ] - [ -0.0000687500000000, 0.0000151800000000, 0.0005410600000000 ] - [ -0.0000034000000000, 0.0000330400000000, 0.0003266800000000 ] - [ -0.0000244300000000, -0.0000178700000000, 0.0003295500000000 ] - [ -0.0000824300000000, 0.0001342100000000, 0.0005600200000000 ] - [ -0.0000320800000000, 0.0000074100000000, 0.0004281900000000 ] - [ 0.0000265500000000, -0.0000093500000000, 0.0003144400000000 ] - [ -0.0001762800000000, -0.0000268400000000, 0.0000150900000000 ] - [ 0.0000207800000000, -0.0000362300000000, 0.0005412600000000 ] - [ -0.0150644000000000, 0.0085262500000000, 0.0006641800000000 ] - [ 0.0000013400000000, 0.0000291500000000, 0.0003286100000000 ] - [ -0.0000252400000000, -0.0000148300000000, 0.0003407900000000 ] - [ 0.0000030500000000, 0.0000296000000000, 0.0003521300000000 ] - [ -0.0000288700000000, -0.0000130900000000, 0.0003528800000000 ] - [ 0.0000286000000000, -0.0000141100000000, 0.0003437600000000 ] - [ 0.0000245100000000, -0.0000191200000000, 0.0003525600000000 ] - [ 0.0000001200000000, -0.0000010400000000, 0.0004978500000000 ] - [ -0.0000014000000000, -0.0000006900000000, 0.0005154900000000 ] - [ 0.0000037000000000, 0.0000013200000000, 0.0000515500000000 ] - [ -0.0012611900000000, 0.0006761100000000, -0.0004346500000000 ] - [ 0.0009205200000000, 0.0008686000000000, -0.0008282900000000 ] - [ 0.0008671200000000, 0.0007250600000000, 0.0001717100000000 ] - [ 0.0003465700000000, -0.0012245200000000, -0.0003506700000000 ] - [ -0.0000006900000000, 0.0000019300000000, 0.0001233800000000 ] - [ -0.0000006100000000, 0.0000021000000000, 0.0001832200000000 ] - [ 0.0000010000000000, 0.0000012900000000, 0.0000492800000000 ] - [ 0.0000005800000000, -0.0000020000000000, -0.0000718700000000 ] - [ -0.0000023700000000, -0.0000001400000000, 0.0000619000000000 ] - [ 0.0000023500000000, -0.0000004900000000, 0.0001197200000000 ] - [ 0.0000019500000000, 0.0000007600000000, -0.0000080300000000 ] - [ 0.0039148500000000, 0.0089908800000000, 0.0146847900000000 ] - [ 0.0039662200000000, -0.0017655000000000, -0.0033482200000000 ] - [ 0.0002893900000000, 0.0009663300000000, -0.0000678900000000 ] - [ -0.0002072400000000, 0.0006329500000000, -0.0005243000000000 ] - [ 0.0108276600000000, -0.0010620100000000, -0.0191629300000000 ] - [ 0.0000281000000000, -0.0024518800000000, 0.0034341800000000 ] - [ 0.0006033800000000, -0.0000641900000000, -0.0005204700000000 ] - [ -0.0005742900000000, 0.0018095900000000, -0.0005940600000000 ] - [ 0.0050137800000000, 0.0139110400000000, -0.0228091900000000 ] - [ 0.0131203400000000, 0.0010869600000000, 0.0189298900000000 ] - [ -0.0005917100000000, 0.0002566300000000, 0.0002366900000000 ] - [ -0.0003779800000000, -0.0004255500000000, -0.0004281600000000 ] - [ -0.1854633200000000, -0.0690105600000000, 0.0003991500000000 ] - [ 0.0227616700000000, -0.0247607900000000, 0.0000435100000000 ] - [ -0.0000726200000000, 0.0002956600000000, -0.0000939700000000 ] - [ 0.0001574900000000, -0.0000072100000000, -0.0000504900000000 ] - [ 0.0067153900000000, 0.0497648500000000, -0.0002961300000000 ] - [ 0.0731309400000000, -0.0176146800000000, 0.0020234100000000 ] - [ -0.0000421900000000, -0.0000200500000000, -0.0003869300000000 ] - [ -0.0000195200000000, -0.0000146600000000, 0.0002294500000000 ] - [ -0.0019794100000000, 0.0104952500000000, 0.0011570900000000 ] - [ -0.0000853600000000, -0.0001314500000000, -0.0001281400000000 ] - [ -0.0005959600000000, -0.0001113300000000, -0.0005053400000000 ] - [ 0.0003055600000000, -0.0004227700000000, -0.0000134900000000 ] - [ 0.0005419700000000, -0.0000666900000000, -0.0000412600000000 ] - [ 0.0010989200000000, -0.0001961500000000, -0.0008345700000000 ] - [ -0.0005176900000000, -0.0000495700000000, -0.0000153000000000 ] - [ 0.0004012900000000, -0.0004533800000000, -0.0005063100000000 ] - [ 0.0014601500000000, -0.0006968500000000, -0.0007011600000000 ] - [ -0.0001623900000000, 0.0004441400000000, -0.0000148300000000 ] - [ 0.0002025600000000, 0.0005627500000000, -0.0004819700000000 ] - [ 0.0002154000000000, 0.0004769000000000, -0.0000106100000000 ] - [ -0.0002467000000000, -0.0004213100000000, -0.0000399800000000 ] - [ 0.0007057500000000, -0.0008004100000000, -0.0002256500000000 ] - [ 0.0000998800000000, -0.0001591800000000, -0.0000857200000000 ] - [ -0.0001871500000000, -0.0000139500000000, -0.0000863900000000 ] - [ 0.0001657000000000, 0.0001534000000000, -0.0001137000000000 ] - [ 0.0002128300000000, 0.0000288400000000, -0.0000766900000000 ] - [ -0.0000019200000000, 0.0000008900000000, 0.0002277900000000 ] - [ 0.0000032100000000, 0.0000010300000000, -0.0004105100000000 ] - [ -0.0000405800000000, -0.0000898400000000, -0.0003806700000000 ] - [ -0.0000609000000000, -0.0000029900000000, 0.0002978800000000 ] - [ 0.0000861700000000, 0.0001676300000000, -0.0000861200000000 ] - [ -0.0000780100000000, -0.0001971600000000, 0.0000056100000000 ] - [ -0.0005896400000000, -0.0001049300000000, -0.0004184300000000 ] - [ 0.0003171300000000, -0.0004090600000000, -0.0000466200000000 ] - [ 0.0005133800000000, -0.0000586000000000, 0.0000379400000000 ] - [ -0.0001988400000000, 0.0005795400000000, -0.0004500300000000 ] - [ -0.0005101900000000, -0.0000525500000000, -0.0000286500000000 ] - [ 0.0003901600000000, -0.0004549900000000, -0.0004182200000000 ] - [ 0.0005986200000000, -0.0001212500000000, -0.0004466900000000 ] - [ -0.0002085800000000, 0.0004710800000000, 0.0000356600000000 ] - [ 0.0002032600000000, 0.0005667900000000, -0.0004197900000000 ] - [ 0.0001986200000000, 0.0004740000000000, -0.0000535300000000 ] - [ -0.0003077900000000, -0.0004170200000000, 0.0000375900000000 ] - [ -0.0004035400000000, -0.0004621100000000, -0.0004489800000000 ] - [ 0.0000952800000000, -0.0001510900000000, -0.0000483300000000 ] - [ -0.0001771300000000, -0.0000117500000000, -0.0000482100000000 ] - [ -0.0000843100000000, 0.0001695400000000, -0.0000096200000000 ] - [ 0.0001875500000000, -0.0000093100000000, -0.0000098300000000 ] - [ 0.0000000000000000, 0.0000016400000000, 0.0002774300000000 ] - [ -0.0000000300000000, -0.0000002900000000, -0.0003892500000000 ] - [ 0.0000004000000000, 0.0000001000000000, -0.0003394700000000 ] - [ -0.0000011200000000, -0.0000004200000000, 0.0003000000000000 ] - [ 0.0000778100000000, 0.0001608000000000, -0.0000483700000000 ] - [ -0.0001025000000000, -0.0001572600000000, -0.0000101900000000 ]- atom: 49 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0342654500000000, -0.0011198000000000, -0.0051508500000000 ] - [ -0.0016044200000000, -0.0238836400000000, 0.0015144600000000 ] - [ 0.0000350000000000, 0.0000604400000000, -0.0002349500000000 ] - [ -0.0000358100000000, 0.0000589400000000, -0.0005369600000000 ] - [ -0.0171328000000000, -0.0125058800000000, -0.0032145800000000 ] - [ -0.0000318500000000, 0.0000867500000000, -0.0002384900000000 ] - [ -0.0057984900000000, 0.0161441100000000, -0.0005704400000000 ] - [ 0.0000669300000000, -0.0000155600000000, -0.0005069300000000 ] - [ -0.0000041100000000, -0.0000304900000000, -0.0003566800000000 ] - [ 0.0000293300000000, 0.0000137600000000, -0.0003614300000000 ] - [ 0.0000801600000000, -0.0001350500000000, -0.0005579300000000 ] - [ 0.0000325000000000, -0.0000078000000000, -0.0004391600000000 ] - [ -0.0000227100000000, 0.0000158000000000, -0.0003452100000000 ] - [ 0.0001740000000000, 0.0000249000000000, -0.0000129300000000 ] - [ -0.0000210600000000, 0.0000369100000000, -0.0005073000000000 ] - [ 0.0148064100000000, -0.0085685800000000, -0.0007101300000000 ] - [ -0.0000006200000000, -0.0000275300000000, -0.0003307800000000 ] - [ 0.0000280000000000, 0.0000153900000000, -0.0003440900000000 ] - [ 0.0000025300000000, -0.0000309600000000, -0.0003262900000000 ] - [ 0.0000240200000000, 0.0000172900000000, -0.0003253200000000 ] - [ -0.0000272000000000, 0.0000162500000000, -0.0003463700000000 ] - [ -0.0000284700000000, 0.0000115600000000, -0.0003258900000000 ] - [ 0.0000010100000000, 0.0000011600000000, -0.0005368800000000 ] - [ 0.0000014300000000, -0.0000001600000000, -0.0005188400000000 ] - [ -0.0000020100000000, -0.0000054700000000, -0.0000649000000000 ] - [ 0.0012301100000000, -0.0006756700000000, 0.0006809500000000 ] - [ -0.0009022500000000, -0.0008688700000000, 0.0008872000000000 ] - [ -0.0008480600000000, -0.0007327000000000, -0.0004744900000000 ] - [ -0.0003300700000000, 0.0012234300000000, 0.0002310200000000 ] - [ -0.0000034000000000, -0.0000029000000000, 0.0000050300000000 ] - [ -0.0000006900000000, 0.0000019300000000, 0.0000709000000000 ] - [ 0.0000032700000000, -0.0000007600000000, -0.0000630900000000 ] - [ 0.0000007400000000, -0.0000019200000000, -0.0001826000000000 ] - [ -0.0000019700000000, -0.0000003400000000, -0.0000500300000000 ] - [ -0.0000031300000000, 0.0000048300000000, 0.0000079700000000 ] - [ 0.0000020600000000, 0.0000005300000000, -0.0001189700000000 ] - [ -0.0049766600000000, -0.0090197200000000, -0.0152265100000000 ] - [ -0.0033557100000000, 0.0007686600000000, 0.0037761000000000 ] - [ 0.0008156600000000, -0.0009074900000000, 0.0004971500000000 ] - [ -0.0002992200000000, 0.0003558700000000, -0.0000116100000000 ] - [ -0.0118348700000000, 0.0011254800000000, 0.0198216500000000 ] - [ 0.0005547700000000, 0.0014332700000000, -0.0037596100000000 ] - [ 0.0005027100000000, 0.0000011600000000, -0.0000097700000000 ] - [ -0.0000526000000000, -0.0008704100000000, 0.0010161100000000 ] - [ -0.0046089400000000, -0.0127858300000000, 0.0219419200000000 ] - [ -0.0123766600000000, -0.0001806100000000, -0.0179763800000000 ] - [ 0.0000735200000000, -0.0012622800000000, 0.0002069800000000 ] - [ -0.0002269600000000, -0.0005082400000000, -0.0001016800000000 ] - [ 0.1848248800000000, 0.0687070700000000, -0.0002030100000000 ] - [ -0.0226725700000000, 0.0242978300000000, -0.0000027500000000 ] - [ -0.0001154500000000, 0.0000308800000000, 0.0000202400000000 ] - [ 0.0002176600000000, 0.0000087700000000, -0.0000254000000000 ] - [ -0.0070809600000000, -0.0499677600000000, 0.0011047000000000 ] - [ -0.0736440800000000, 0.0177866400000000, -0.0028031500000000 ] - [ 0.0000424700000000, 0.0000183200000000, -0.0003216500000000 ] - [ 0.0000193500000000, 0.0000139500000000, 0.0003373500000000 ] - [ 0.0023951200000000, -0.0098076500000000, -0.0010747900000000 ] - [ -0.0001030600000000, -0.0001927600000000, 0.0000522700000000 ] - [ -0.0005118100000000, 0.0000575400000000, -0.0000298900000000 ] - [ 0.0001967800000000, -0.0005809900000000, 0.0004514800000000 ] - [ 0.0005587300000000, 0.0001079500000000, 0.0004217700000000 ] - [ -0.0016047200000000, 0.0011587200000000, 0.0004717500000000 ] - [ -0.0005992700000000, 0.0001232800000000, 0.0004491200000000 ] - [ 0.0002051400000000, -0.0004737700000000, -0.0000238000000000 ] - [ -0.0003467600000000, 0.0006594300000000, 0.0003229100000000 ] - [ -0.0004287900000000, 0.0004814100000000, 0.0003928200000000 ] - [ 0.0003056300000000, 0.0004262300000000, -0.0000510400000000 ] - [ 0.0004035900000000, 0.0004621300000000, 0.0004479000000000 ] - [ -0.0002677600000000, -0.0005561700000000, 0.0004161100000000 ] - [ -0.0012668800000000, -0.0001326900000000, -0.0001539300000000 ] - [ 0.0000857900000000, -0.0001678300000000, 0.0000103100000000 ] - [ -0.0001872900000000, 0.0000118900000000, 0.0000108000000000 ] - [ -0.0003412800000000, 0.0001561300000000, 0.0001141000000000 ] - [ 0.0001448500000000, -0.0000291800000000, 0.0000764000000000 ] - [ -0.0000004100000000, 0.0000003300000000, 0.0003395200000000 ] - [ -0.0000005200000000, 0.0000002100000000, -0.0002984700000000 ] - [ 0.0000379700000000, 0.0000901400000000, -0.0002872600000000 ] - [ 0.0000619900000000, 0.0000011700000000, 0.0003701400000000 ] - [ 0.0001029700000000, 0.0001561900000000, 0.0000104200000000 ] - [ -0.0000959800000000, -0.0001100100000000, -0.0000045400000000 ] - [ -0.0005093400000000, 0.0000640900000000, 0.0000412300000000 ] - [ 0.0001960500000000, -0.0005662900000000, 0.0004266700000000 ] - [ 0.0005951400000000, 0.0001139300000000, 0.0005011900000000 ] - [ -0.0003066000000000, 0.0004237400000000, 0.0000136200000000 ] - [ -0.0005874700000000, 0.0001030900000000, 0.0004041800000000 ] - [ 0.0002006000000000, -0.0004704100000000, 0.0000466300000000 ] - [ 0.0005181400000000, 0.0000494000000000, 0.0000164600000000 ] - [ -0.0003992000000000, 0.0004555300000000, 0.0004981900000000 ] - [ 0.0003114900000000, 0.0004104000000000, 0.0000463800000000 ] - [ 0.0003907300000000, 0.0004596200000000, 0.0004300500000000 ] - [ -0.0001992600000000, -0.0005737900000000, 0.0004997200000000 ] - [ -0.0002148600000000, -0.0004777500000000, 0.0000150900000000 ] - [ 0.0000812400000000, -0.0001584400000000, 0.0000479000000000 ] - [ -0.0001785100000000, 0.0000103200000000, 0.0000484300000000 ] - [ -0.0001020300000000, 0.0001585800000000, 0.0000868500000000 ] - [ 0.0001874200000000, 0.0000117700000000, 0.0000867300000000 ] - [ -0.0000012100000000, -0.0000015500000000, 0.0003887900000000 ] - [ -0.0000005400000000, 0.0000008800000000, -0.0002769800000000 ] - [ 0.0000011100000000, 0.0000000800000000, -0.0002270400000000 ] - [ -0.0000007100000000, -0.0000000900000000, 0.0004113500000000 ] - [ 0.0000989000000000, 0.0001471300000000, 0.0000484500000000 ] - [ -0.0000843500000000, -0.0001673800000000, 0.0000863100000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0001767600000000, -0.0015835200000000, 0.0215966800000000 ] - [ -0.0007937800000000, -0.0005036600000000, 0.0218444400000000 ] - [ 0.0000417300000000, -0.0001182300000000, -0.0017836200000000 ] - [ 0.0001674000000000, 0.0000542400000000, -0.0019825500000000 ] - [ -0.0017769900000000, 0.0006722400000000, 0.0216469100000000 ] - [ -0.0001601000000000, 0.0000810300000000, -0.0017911300000000 ] - [ -0.0016943300000000, 0.0018199900000000, -0.0028984000000000 ] - [ 0.0000189800000000, 0.0000049400000000, -0.0027481300000000 ] - [ -0.0000043400000000, -0.0001609100000000, -0.0018284100000000 ] - [ 0.0001429600000000, 0.0000793500000000, -0.0018287900000000 ] - [ -0.0000050300000000, -0.0001788900000000, -0.0017761700000000 ] - [ 0.0001286000000000, 0.0001205600000000, -0.0019690400000000 ] - [ -0.0001377500000000, 0.0000841200000000, -0.0018268300000000 ] - [ -0.0000829000000000, 0.0000907000000000, -0.0017695500000000 ] - [ 0.0000128400000000, 0.0000149700000000, -0.0027480500000000 ] - [ 0.0007320500000000, -0.0023866500000000, -0.0029063600000000 ] - [ 0.0000002000000000, -0.0001608600000000, -0.0018125700000000 ] - [ 0.0001422500000000, 0.0000806600000000, -0.0018143500000000 ] - [ 0.0000031200000000, -0.0001626500000000, -0.0017990100000000 ] - [ 0.0001377000000000, 0.0000832900000000, -0.0017981200000000 ] - [ -0.0001398900000000, 0.0000822900000000, -0.0018147200000000 ] - [ -0.0001423600000000, 0.0000769700000000, -0.0017986600000000 ] - [ 0.0000007800000000, 0.0000000600000000, -0.0027848000000000 ] - [ 0.0000000700000000, -0.0000002300000000, -0.0027670300000000 ] - [ 0.0000005000000000, -0.0000025800000000, -0.0003059100000000 ] - [ -0.0004295000000000, 0.0000955800000000, -0.0000293200000000 ] - [ -0.0003817100000000, 0.0008672100000000, -0.0013711200000000 ] - [ 0.0005542200000000, -0.0007536900000000, -0.0014939700000000 ] - [ -0.0001328900000000, -0.0004269500000000, -0.0002135800000000 ] - [ -0.0000026000000000, -0.0000006200000000, -0.0002355100000000 ] - [ -0.0000006900000000, 0.0000019500000000, -0.0001711100000000 ] - [ 0.0000014600000000, -0.0000009600000000, -0.0003057100000000 ] - [ 0.0000006700000000, -0.0000019900000000, -0.0004247200000000 ] - [ -0.0000021800000000, -0.0000002100000000, -0.0002919600000000 ] - [ -0.0000018600000000, 0.0000021900000000, -0.0002354100000000 ] - [ 0.0000019300000000, 0.0000006300000000, -0.0003612700000000 ] - [ 0.0045427400000000, 0.0042211400000000, -0.0016897300000000 ] - [ -0.0026607700000000, 0.0035866400000000, -0.0012800600000000 ] - [ 0.0009217600000000, 0.0002901400000000, 0.0012365400000000 ] - [ -0.0005427000000000, 0.0000626200000000, 0.0009949100000000 ] - [ -0.0105743200000000, -0.0036936500000000, 0.0044925600000000 ] - [ 0.0023519500000000, -0.0049537500000000, -0.0017832800000000 ] - [ 0.0003314800000000, 0.0004167500000000, 0.0009703000000000 ] - [ -0.0008315400000000, 0.0002158900000000, 0.0018737100000000 ] - [ -0.0078350700000000, -0.0062225500000000, 0.0039445000000000 ] - [ 0.0066260100000000, 0.0027958400000000, -0.0012227900000000 ] - [ -0.0000612700000000, -0.0010726400000000, 0.0014186100000000 ] - [ 0.0001849200000000, -0.0005126500000000, 0.0009533900000000 ] - [ 0.0004345500000000, -0.0000615400000000, -0.0434976800000000 ] - [ -0.0012990500000000, -0.0006329500000000, -0.0044033200000000 ] - [ -0.0001501400000000, 0.0000651100000000, 0.0002811900000000 ] - [ 0.0002011300000000, 0.0000971200000000, 0.0002073300000000 ] - [ 0.0033494300000000, 0.0099084900000000, -0.0045640100000000 ] - [ 0.0103118400000000, -0.0020509300000000, -0.0051204000000000 ] - [ 0.0000207200000000, -0.0000032500000000, -0.0000478800000000 ] - [ -0.0000049400000000, -0.0000050900000000, 0.0005893100000000 ] - [ -0.0010369200000000, -0.0004258900000000, -0.0044153600000000 ] - [ -0.0000986500000000, -0.0001795800000000, 0.0002075100000000 ] - [ -0.0003381200000000, 0.0004304100000000, 0.0009711100000000 ] - [ -0.0000376200000000, -0.0009197500000000, 0.0014575900000000 ] - [ 0.0007543000000000, 0.0004653600000000, 0.0014097500000000 ] - [ -0.0007349000000000, 0.0001618500000000, 0.0014708500000000 ] - [ -0.0007758200000000, 0.0004953100000000, 0.0014551900000000 ] - [ -0.0002034500000000, -0.0005050200000000, 0.0009735700000000 ] - [ 0.0001474400000000, 0.0004233700000000, 0.0010144600000000 ] - [ -0.0008143200000000, 0.0004277800000000, 0.0014501700000000 ] - [ 0.0005415200000000, 0.0000776100000000, 0.0009697800000000 ] - [ 0.0008153700000000, 0.0004283100000000, 0.0014569300000000 ] - [ 0.0000201500000000, -0.0009053800000000, 0.0014241200000000 ] - [ 0.0001121300000000, -0.0002801500000000, 0.0008279600000000 ] - [ 0.0000445500000000, -0.0001908600000000, 0.0002210300000000 ] - [ -0.0001870000000000, 0.0000549400000000, 0.0002210700000000 ] - [ -0.0002021700000000, 0.0001540700000000, 0.0003195100000000 ] - [ 0.0001606400000000, 0.0000043400000000, 0.0002447800000000 ] - [ -0.0000011700000000, 0.0000005100000000, 0.0005830900000000 ] - [ 0.0000012200000000, 0.0000004900000000, -0.0000545200000000 ] - [ -0.0000071600000000, -0.0000009400000000, -0.0000267700000000 ] - [ 0.0000085000000000, 0.0000178900000000, 0.0006400800000000 ] - [ 0.0001426400000000, 0.0001336600000000, 0.0002209700000000 ] - [ 0.0000023000000000, -0.0001891800000000, 0.0002448000000000 ] - [ -0.0003322600000000, 0.0004381300000000, 0.0010497200000000 ] - [ -0.0000327200000000, -0.0009059000000000, 0.0014288600000000 ] - [ 0.0007716100000000, 0.0004866000000000, 0.0015076100000000 ] - [ -0.0005415500000000, 0.0000839700000000, 0.0010197700000000 ] - [ -0.0007663600000000, 0.0004827000000000, 0.0014240900000000 ] - [ -0.0002106600000000, -0.0005039000000000, 0.0010525700000000 ] - [ 0.0003411500000000, 0.0004228500000000, 0.0010229700000000 ] - [ -0.0008103600000000, 0.0004220600000000, 0.0015052400000000 ] - [ 0.0005458100000000, 0.0000711800000000, 0.0010516300000000 ] - [ 0.0007989300000000, 0.0004250200000000, 0.0014272500000000 ] - [ 0.0000352500000000, -0.0009131200000000, 0.0015067500000000 ] - [ 0.0001967200000000, -0.0005112700000000, 0.0010212700000000 ] - [ 0.0000401100000000, -0.0001823200000000, 0.0002585200000000 ] - [ -0.0001772700000000, 0.0000550600000000, 0.0002590600000000 ] - [ -0.0001412700000000, 0.0001358100000000, 0.0002972200000000 ] - [ 0.0001869600000000, 0.0000570800000000, 0.0002971500000000 ] - [ -0.0000005900000000, -0.0000000300000000, 0.0006325300000000 ] - [ -0.0000002600000000, 0.0000003500000000, -0.0000325300000000 ] - [ 0.0000006800000000, 0.0000001200000000, 0.0000166400000000 ] - [ -0.0000010300000000, -0.0000002700000000, 0.0006550500000000 ] - [ 0.0001364400000000, 0.0001254900000000, 0.0002589200000000 ] - [ -0.0000448400000000, -0.0001898500000000, 0.0002967000000000 ]- atom: 53 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0131753800000000, 0.0202961500000000, -0.0067515000000000 ] - [ 0.0482151700000000, 0.0263886700000000, 0.0198170900000000 ] - [ 0.0000528400000000, 0.0000192100000000, 0.0000786200000000 ] - [ 0.0000446300000000, -0.0000115300000000, -0.0000586900000000 ] - [ 0.0382710100000000, -0.0104570800000000, -0.0141112700000000 ] - [ 0.0000152200000000, 0.0000002900000000, -0.0000572000000000 ] - [ 0.0091520400000000, -0.0000366700000000, -0.0000169100000000 ] - [ -0.0000269000000000, -0.0000200900000000, 0.0000209500000000 ] - [ -0.0000041100000000, -0.0000000200000000, -0.0000196800000000 ] - [ 0.0000005800000000, -0.0000035200000000, -0.0000063800000000 ] - [ -0.0000124500000000, -0.0001144100000000, -0.0002988700000000 ] - [ -0.0000949300000000, -0.0000829500000000, 0.0001321500000000 ] - [ 0.0000019500000000, 0.0000041200000000, -0.0000124400000000 ] - [ -0.0000278900000000, -0.0000318500000000, 0.0001725200000000 ] - [ 0.0000391900000000, -0.0000256600000000, 0.0000210000000000 ] - [ -0.0111219800000000, -0.0103521000000000, -0.0000270900000000 ] - [ -0.0000004300000000, 0.0000009700000000, 0.0000002300000000 ] - [ 0.0000019600000000, 0.0000002000000000, -0.0000011300000000 ] - [ 0.0000031200000000, -0.0000005600000000, 0.0000152500000000 ] - [ -0.0000032700000000, 0.0000024300000000, 0.0000161700000000 ] - [ 0.0000019000000000, 0.0000012900000000, 0.0000046500000000 ] - [ -0.0000022800000000, -0.0000043100000000, 0.0000159400000000 ] - [ 0.0000005700000000, -0.0000001500000000, -0.0000157900000000 ] - [ 0.0000000900000000, -0.0000014100000000, 0.0000022400000000 ] - [ 0.0000000100000000, -0.0000002000000000, -0.0000059400000000 ] - [ -0.0005428200000000, -0.0005801900000000, 0.0001293400000000 ] - [ -0.0002195600000000, 0.0005288000000000, 0.0000074800000000 ] - [ -0.0002884600000000, 0.0005051000000000, -0.0001267100000000 ] - [ 0.0020721100000000, 0.0001842300000000, -0.0000191300000000 ] - [ -0.0000011400000000, 0.0000019600000000, 0.0000641700000000 ] - [ -0.0000009500000000, 0.0000020700000000, 0.0001275900000000 ] - [ -0.0000009700000000, 0.0000002200000000, -0.0000058900000000 ] - [ 0.0000004500000000, -0.0000019400000000, -0.0001268100000000 ] - [ -0.0000022900000000, -0.0000002700000000, 0.0000063100000000 ] - [ 0.0000013500000000, 0.0000019400000000, 0.0000641000000000 ] - [ 0.0000017100000000, 0.0000006400000000, -0.0000628900000000 ] - [ -0.0011360200000000, 0.0002672800000000, -0.0061888500000000 ] - [ 0.0204771600000000, 0.0094762300000000, -0.0196123400000000 ] - [ -0.0001374700000000, 0.0000634500000000, 0.0001688500000000 ] - [ -0.0002678200000000, 0.0005060100000000, -0.0002953000000000 ] - [ -0.0010985300000000, 0.0076701400000000, 0.0069007800000000 ] - [ 0.0007827900000000, -0.0005857900000000, 0.0137929400000000 ] - [ 0.0005346800000000, -0.0000239600000000, -0.0002711500000000 ] - [ -0.0008382300000000, 0.0004673400000000, 0.0002137800000000 ] - [ -0.0002111200000000, -0.0002457400000000, -0.0083308000000000 ] - [ 0.0121940600000000, -0.0087440800000000, 0.0137756100000000 ] - [ -0.0008911700000000, -0.0006308700000000, 0.0002650800000000 ] - [ -0.0003159700000000, -0.0004595500000000, -0.0002379900000000 ] - [ 0.0068963800000000, 0.0202438800000000, 0.0033602600000000 ] - [ 0.0120923400000000, -0.0526753400000000, 0.0069199600000000 ] - [ -0.0001348000000000, 0.0001511000000000, -0.0000173300000000 ] - [ 0.0001547400000000, 0.0000153500000000, -0.0000500800000000 ] - [ -0.2243926500000000, 0.0006777100000000, 0.0013878800000000 ] - [ 0.0014498600000000, 0.0064822900000000, -0.0002844400000000 ] - [ 0.0000200400000000, -0.0000010300000000, -0.0003547500000000 ] - [ 0.0000350500000000, -0.0000484100000000, 0.0002827600000000 ] - [ 0.0738360200000000, -0.0111588500000000, -0.0103349900000000 ] - [ -0.0001549900000000, -0.0001540000000000, -0.0000461500000000 ] - [ -0.0005548100000000, -0.0000188700000000, -0.0002566100000000 ] - [ 0.0002519900000000, -0.0005003400000000, 0.0002158000000000 ] - [ 0.0005721900000000, 0.0000774600000000, 0.0002232200000000 ] - [ 0.0007805700000000, 0.0012612800000000, -0.0001701900000000 ] - [ -0.0005586400000000, 0.0000369000000000, 0.0002171000000000 ] - [ 0.0003093100000000, -0.0004598300000000, -0.0002803200000000 ] - [ 0.0011087000000000, 0.0009805500000000, 0.0002286400000000 ] - [ -0.0002590000000000, 0.0005035000000000, 0.0001998100000000 ] - [ 0.0002517600000000, 0.0004959400000000, -0.0002681400000000 ] - [ 0.0003085200000000, 0.0004696400000000, 0.0002171300000000 ] - [ -0.0002437700000000, -0.0004505400000000, 0.0001404500000000 ] - [ 0.0003177500000000, 0.0000114200000000, -0.0006201200000000 ] - [ 0.0000931500000000, -0.0001621900000000, -0.0000381800000000 ] - [ -0.0001880000000000, -0.0000022400000000, -0.0000381000000000 ] - [ -0.0001279600000000, 0.0001515200000000, -0.0000068600000000 ] - [ 0.0002398900000000, 0.0000320800000000, 0.0000012900000000 ] - [ -0.0000017900000000, 0.0000000800000000, 0.0002832400000000 ] - [ 0.0000013700000000, 0.0000025400000000, -0.0003547300000000 ] - [ 0.0000842100000000, 0.0000010400000000, -0.0003337600000000 ] - [ 0.0000360900000000, -0.0000497200000000, 0.0003331800000000 ] - [ 0.0000960100000000, 0.0001609700000000, -0.0000380400000000 ] - [ -0.0001074000000000, -0.0000525400000000, 0.0000043500000000 ] - [ -0.0005498400000000, -0.0000206900000000, -0.0001901400000000 ] - [ 0.0002577600000000, -0.0004884100000000, 0.0001924900000000 ] - [ 0.0005540200000000, 0.0000270900000000, 0.0002678100000000 ] - [ -0.0002526200000000, 0.0005019800000000, -0.0002198600000000 ] - [ -0.0005468300000000, 0.0000269600000000, 0.0001878300000000 ] - [ 0.0002958400000000, -0.0004626700000000, -0.0001873300000000 ] - [ 0.0005584500000000, -0.0000365700000000, -0.0002168700000000 ] - [ -0.0003030900000000, 0.0004633300000000, 0.0002653400000000 ] - [ 0.0002566900000000, 0.0004892900000000, -0.0001890300000000 ] - [ 0.0002913200000000, 0.0004683300000000, 0.0001818800000000 ] - [ -0.0002538400000000, -0.0004949300000000, 0.0002673400000000 ] - [ -0.0003100900000000, -0.0004699500000000, -0.0002186900000000 ] - [ 0.0000873900000000, -0.0001548900000000, -0.0000003200000000 ] - [ -0.0001776100000000, -0.0000016600000000, 0.0000000000000000 ] - [ -0.0000932800000000, 0.0001638900000000, 0.0000382900000000 ] - [ 0.0001873800000000, 0.0000011400000000, 0.0000380900000000 ] - [ -0.0000013300000000, 0.0000007100000000, 0.0003327600000000 ] - [ 0.0000000100000000, 0.0000000800000000, -0.0003332600000000 ] - [ 0.0000007000000000, 0.0000000600000000, -0.0002833800000000 ] - [ -0.0000011300000000, -0.0000003200000000, 0.0003550300000000 ] - [ 0.0000883000000000, 0.0001541100000000, -0.0000001700000000 ] - [ -0.0000935300000000, -0.0001620700000000, 0.0000378100000000 ]- atom: 53 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0126840700000000, -0.0190621200000000, 0.0066370100000000 ] - [ -0.0531558900000000, -0.0268582700000000, -0.0212024200000000 ] - [ -0.0000457600000000, -0.0000205900000000, -0.0001040600000000 ] - [ -0.0000491700000000, 0.0000165500000000, 0.0000325200000000 ] - [ -0.0373210200000000, 0.0085685400000000, 0.0134968500000000 ] - [ -0.0000210200000000, -0.0000080400000000, 0.0000342100000000 ] - [ -0.0093608800000000, -0.0000101100000000, -0.0000170600000000 ] - [ 0.0000269400000000, 0.0000206700000000, 0.0000210400000000 ] - [ -0.0000034800000000, 0.0000030000000000, -0.0000048500000000 ] - [ 0.0000042800000000, -0.0000011800000000, -0.0000205900000000 ] - [ 0.0000148100000000, 0.0001162600000000, 0.0003033000000000 ] - [ 0.0000948200000000, 0.0000847300000000, -0.0001327400000000 ] - [ 0.0000025700000000, 0.0000023900000000, -0.0000131800000000 ] - [ 0.0000275800000000, 0.0000285100000000, -0.0001648900000000 ] - [ -0.0000416300000000, 0.0000261300000000, 0.0000207600000000 ] - [ 0.0112288500000000, 0.0106080800000000, -0.0000272300000000 ] - [ 0.0000005500000000, 0.0000011000000000, 0.0000027700000000 ] - [ 0.0000007300000000, -0.0000003900000000, 0.0000032500000000 ] - [ 0.0000028400000000, -0.0000004100000000, 0.0000155100000000 ] - [ -0.0000021800000000, 0.0000020400000000, 0.0000165000000000 ] - [ 0.0000000400000000, 0.0000008200000000, -0.0000022500000000 ] - [ -0.0000014200000000, -0.0000037900000000, 0.0000157100000000 ] - [ 0.0000006100000000, 0.0000003500000000, -0.0000156900000000 ] - [ -0.0000000200000000, 0.0000007200000000, 0.0000022600000000 ] - [ 0.0000017300000000, -0.0000041200000000, -0.0000058300000000 ] - [ 0.0005454400000000, 0.0005954500000000, 0.0001293800000000 ] - [ 0.0002266000000000, -0.0005380600000000, 0.0000076300000000 ] - [ 0.0003028000000000, -0.0005175800000000, -0.0001268000000000 ] - [ -0.0020922700000000, -0.0001906900000000, -0.0000184000000000 ] - [ -0.0000028800000000, -0.0000030700000000, 0.0000638000000000 ] - [ -0.0000003200000000, 0.0000019500000000, 0.0001272500000000 ] - [ 0.0000053400000000, 0.0000003500000000, -0.0000055300000000 ] - [ 0.0000008800000000, -0.0000020100000000, -0.0001265100000000 ] - [ -0.0000020200000000, -0.0000002300000000, 0.0000063900000000 ] - [ -0.0000022400000000, 0.0000024300000000, 0.0000640200000000 ] - [ 0.0000023200000000, 0.0000006100000000, -0.0000629500000000 ] - [ -0.0000029000000000, -0.0003695000000000, 0.0058951400000000 ] - [ -0.0202965800000000, -0.0106942800000000, 0.0207493000000000 ] - [ 0.0012704700000000, 0.0000002100000000, 0.0002646800000000 ] - [ -0.0002370400000000, 0.0004827100000000, -0.0002426700000000 ] - [ -0.0000524500000000, -0.0078333300000000, -0.0065093600000000 ] - [ -0.0000765500000000, -0.0003474900000000, -0.0145871000000000 ] - [ 0.0005721700000000, -0.0000402800000000, -0.0002625000000000 ] - [ 0.0002287100000000, 0.0004674500000000, 0.0002189700000000 ] - [ 0.0006827400000000, 0.0012824900000000, 0.0079639000000000 ] - [ -0.0117097900000000, 0.0096369000000000, -0.0131716900000000 ] - [ 0.0004015600000000, -0.0003681000000000, 0.0001634800000000 ] - [ -0.0002892200000000, -0.0004741800000000, -0.0002981600000000 ] - [ -0.0069000100000000, -0.0211255400000000, -0.0033699600000000 ] - [ -0.0124705500000000, 0.0532824100000000, -0.0069186400000000 ] - [ -0.0000504200000000, 0.0001766100000000, -0.0000582600000000 ] - [ 0.0002214500000000, -0.0000131300000000, -0.0000256900000000 ] - [ 0.2281606100000000, 0.0006762700000000, 0.0014052000000000 ] - [ -0.0016887500000000, -0.0067320400000000, -0.0002844200000000 ] - [ -0.0000194100000000, -0.0000009100000000, -0.0003546600000000 ] - [ -0.0000362500000000, 0.0000493200000000, 0.0002825400000000 ] - [ -0.0729405600000000, 0.0118082600000000, 0.0102367100000000 ] - [ -0.0000323500000000, -0.0001708800000000, -0.0000298600000000 ] - [ -0.0005535000000000, -0.0000365700000000, -0.0002826800000000 ] - [ 0.0002512200000000, -0.0005024300000000, 0.0002193100000000 ] - [ 0.0005278000000000, -0.0000383800000000, 0.0001560800000000 ] - [ -0.0013114000000000, -0.0003139200000000, -0.0002036200000000 ] - [ -0.0005576100000000, 0.0000354000000000, 0.0002135700000000 ] - [ 0.0002983600000000, -0.0004674300000000, -0.0002530500000000 ] - [ -0.0000253200000000, -0.0010435900000000, -0.0006011300000000 ] - [ -0.0003309700000000, 0.0004213000000000, 0.0001731200000000 ] - [ 0.0002556900000000, 0.0004946000000000, -0.0002685900000000 ] - [ 0.0003089000000000, 0.0004696500000000, 0.0002169300000000 ] - [ -0.0002725200000000, -0.0005264900000000, 0.0002334600000000 ] - [ -0.0009065300000000, -0.0009589400000000, 0.0002435000000000 ] - [ 0.0000926500000000, -0.0001645900000000, -0.0000378900000000 ] - [ -0.0001864500000000, 0.0000000700000000, -0.0000380700000000 ] - [ -0.0000499900000000, 0.0001564900000000, 0.0000065800000000 ] - [ 0.0001180300000000, -0.0000326900000000, -0.0000027600000000 ] - [ -0.0000006400000000, 0.0000010800000000, 0.0002831700000000 ] - [ 0.0000012800000000, -0.0000016900000000, -0.0003547100000000 ] - [ -0.0000876600000000, 0.0000011500000000, -0.0003338600000000 ] - [ -0.0000352800000000, 0.0000478500000000, 0.0003334000000000 ] - [ 0.0000926600000000, 0.0001630100000000, -0.0000383000000000 ] - [ -0.0000688900000000, -0.0002559400000000, -0.0000050500000000 ] - [ -0.0005499000000000, -0.0000214800000000, -0.0001907600000000 ] - [ 0.0002564700000000, -0.0004856300000000, 0.0001845400000000 ] - [ 0.0005543700000000, 0.0000270200000000, 0.0002680000000000 ] - [ -0.0002521000000000, 0.0005024700000000, -0.0002200000000000 ] - [ -0.0005503000000000, 0.0000219800000000, 0.0001848600000000 ] - [ 0.0002965500000000, -0.0004627700000000, -0.0001881100000000 ] - [ 0.0005589100000000, -0.0000367300000000, -0.0002170100000000 ] - [ -0.0003035100000000, 0.0004633800000000, 0.0002655000000000 ] - [ 0.0002575000000000, 0.0004887900000000, -0.0001877900000000 ] - [ 0.0002965200000000, 0.0004653700000000, 0.0001918800000000 ] - [ -0.0002538500000000, -0.0004949000000000, 0.0002668000000000 ] - [ -0.0003095900000000, -0.0004701600000000, -0.0002178300000000 ] - [ 0.0000892700000000, -0.0001545500000000, -0.0000006900000000 ] - [ -0.0001775900000000, 0.0000002700000000, 0.0000000200000000 ] - [ -0.0000930700000000, 0.0001639000000000, 0.0000384200000000 ] - [ 0.0001877400000000, 0.0000008900000000, 0.0000381500000000 ] - [ -0.0000001000000000, -0.0000006100000000, 0.0003326300000000 ] - [ -0.0000005600000000, 0.0000000600000000, -0.0003333700000000 ] - [ 0.0000011400000000, 0.0000003100000000, -0.0002834400000000 ] - [ -0.0000006200000000, -0.0000001300000000, 0.0003550400000000 ] - [ 0.0000880800000000, 0.0001538700000000, -0.0000001800000000 ] - [ -0.0000935300000000, -0.0001622700000000, 0.0000377600000000 ]- atom: 53 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0085305400000000, -0.0246086700000000, 0.0243878600000000 ] - [ 0.0255770000000000, 0.0049166800000000, 0.0243878600000000 ] - [ -0.0000000900000000, -0.0002260400000000, -0.0021499100000000 ] - [ 0.0001958000000000, 0.0001129400000000, -0.0021499100000000 ] - [ -0.0170464700000000, 0.0196920000000000, 0.0243878600000000 ] - [ -0.0001957100000000, 0.0001131000000000, -0.0021499100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008636400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0031923700000000 ] - [ -0.0000026600000000, -0.0001871400000000, -0.0021183500000000 ] - [ 0.0001633900000000, 0.0000912600000000, -0.0021183500000000 ] - [ -0.0000023600000000, -0.0001709800000000, -0.0021258900000000 ] - [ 0.0001492500000000, 0.0000834400000000, -0.0021258900000000 ] - [ -0.0001607300000000, 0.0000958700000000, -0.0021183500000000 ] - [ -0.0001468900000000, 0.0000875400000000, -0.0021258900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0032050200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0018804300000000 ] - [ 0.0000009100000000, -0.0001885800000000, -0.0021018600000000 ] - [ 0.0001628600000000, 0.0000950800000000, -0.0021018600000000 ] - [ 0.0000026600000000, -0.0001875500000000, -0.0020876800000000 ] - [ 0.0001610900000000, 0.0000960800000000, -0.0020876800000000 ] - [ -0.0001637700000000, 0.0000935000000000, -0.0021018600000000 ] - [ -0.0001637500000000, 0.0000914700000000, -0.0020876800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0032275600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0032089600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003545000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000289000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005548100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002065800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0017461400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002824100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002177100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003552100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004736100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003376900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002847500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004100200000000 ] - [ -0.0022746300000000, -0.0036058100000000, 0.0027463000000000 ] - [ -0.0139641100000000, -0.0027128100000000, -0.0011331000000000 ] - [ 0.0008420400000000, 0.0007610200000000, 0.0014796800000000 ] - [ -0.0005865700000000, 0.0000098100000000, 0.0011676800000000 ] - [ 0.0046326900000000, 0.0134496800000000, -0.0011331000000000 ] - [ 0.0042600400000000, -0.0001669800000000, 0.0027463000000000 ] - [ 0.0003017700000000, 0.0005030800000000, 0.0011676800000000 ] - [ -0.0010800900000000, 0.0003487200000000, 0.0014796800000000 ] - [ -0.0019854100000000, 0.0037727900000000, 0.0027463000000000 ] - [ 0.0093314200000000, -0.0107368700000000, -0.0011331000000000 ] - [ 0.0002380500000000, -0.0011097400000000, 0.0014796800000000 ] - [ 0.0002847900000000, -0.0005128800000000, 0.0011676800000000 ] - [ -0.0005951400000000, 0.0030682600000000, -0.0048261900000000 ] - [ 0.0029547600000000, -0.0010187200000000, -0.0048261900000000 ] - [ -0.0001262700000000, 0.0001380700000000, 0.0002694900000000 ] - [ 0.0001827000000000, 0.0000403200000000, 0.0002694900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0618984300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002038400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000554500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006267100000000 ] - [ -0.0023596200000000, -0.0020495400000000, -0.0048261900000000 ] - [ -0.0000564300000000, -0.0001783900000000, 0.0002694900000000 ] - [ -0.0003037100000000, 0.0005022600000000, 0.0011719800000000 ] - [ -0.0000876800000000, -0.0009905200000000, 0.0016526100000000 ] - [ 0.0008055600000000, 0.0005629900000000, 0.0016156500000000 ] - [ -0.0011262000000000, 0.0002012700000000, 0.0011238100000000 ] - [ -0.0008139800000000, 0.0005712000000000, 0.0016526100000000 ] - [ -0.0002831100000000, -0.0005141500000000, 0.0011719800000000 ] - [ 0.0007374000000000, 0.0008746800000000, 0.0011238100000000 ] - [ -0.0008903500000000, 0.0004161400000000, 0.0016156500000000 ] - [ 0.0005868200000000, 0.0000118900000000, 0.0011719800000000 ] - [ 0.0009016600000000, 0.0004193200000000, 0.0016526100000000 ] - [ 0.0000847800000000, -0.0009791300000000, 0.0016156500000000 ] - [ 0.0003888000000000, -0.0010759500000000, 0.0011238100000000 ] - [ 0.0000365100000000, -0.0001938800000000, 0.0002614200000000 ] - [ -0.0001861700000000, 0.0000653200000000, 0.0002614200000000 ] - [ -0.0001363900000000, 0.0001173600000000, 0.0003060200000000 ] - [ 0.0001698300000000, 0.0000594400000000, 0.0003060200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006276200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000032800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000790300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006734800000000 ] - [ 0.0001496500000000, 0.0001285600000000, 0.0002614200000000 ] - [ -0.0000334400000000, -0.0001767900000000, 0.0003060200000000 ] - [ -0.0002990900000000, 0.0005060000000000, 0.0012508200000000 ] - [ -0.0000804100000000, -0.0009733800000000, 0.0016240000000000 ] - [ 0.0008084000000000, 0.0005648800000000, 0.0017019100000000 ] - [ -0.0005829300000000, 0.0000212500000000, 0.0012213200000000 ] - [ -0.0008027700000000, 0.0005563300000000, 0.0016240000000000 ] - [ -0.0002886600000000, -0.0005120200000000, 0.0012508200000000 ] - [ 0.0003098600000000, 0.0004942100000000, 0.0012213200000000 ] - [ -0.0008934000000000, 0.0004176500000000, 0.0017019100000000 ] - [ 0.0005877500000000, 0.0000060200000000, 0.0012508200000000 ] - [ 0.0008831800000000, 0.0004170500000000, 0.0016240000000000 ] - [ 0.0000850000000000, -0.0009825300000000, 0.0017019100000000 ] - [ 0.0002730600000000, -0.0005154500000000, 0.0012213200000000 ] - [ 0.0000325000000000, -0.0001849300000000, 0.0003018900000000 ] - [ -0.0001764100000000, 0.0000643200000000, 0.0003018900000000 ] - [ -0.0001489700000000, 0.0001288600000000, 0.0003393900000000 ] - [ 0.0001860800000000, 0.0000645800000000, 0.0003393900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006795100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000194000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000690800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007016600000000 ] - [ 0.0001439100000000, 0.0001206100000000, 0.0003018900000000 ] - [ -0.0000371100000000, -0.0001934400000000, 0.0003393900000000 ]- atom: 53 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0084218800000000, 0.0244300000000000, -0.0239560200000000 ] - [ -0.0253679400000000, -0.0049214400000000, -0.0239560200000000 ] - [ 0.0000053500000000, 0.0002261100000000, 0.0021182200000000 ] - [ -0.0001985000000000, -0.0001084200000000, 0.0021182200000000 ] - [ 0.0169460600000000, -0.0195085600000000, -0.0239560200000000 ] - [ 0.0001931500000000, -0.0001176900000000, 0.0021182200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008537200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0032231000000000 ] - [ -0.0000034600000000, 0.0001883000000000, 0.0020849200000000 ] - [ -0.0001613400000000, -0.0000971500000000, 0.0020849200000000 ] - [ 0.0000003800000000, 0.0001745400000000, 0.0021189000000000 ] - [ -0.0001513500000000, -0.0000869400000000, 0.0021189000000000 ] - [ 0.0001648000000000, -0.0000911500000000, 0.0020849200000000 ] - [ 0.0001509600000000, -0.0000876000000000, 0.0021189000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0032345000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0018882800000000 ] - [ -0.0000002200000000, 0.0001873800000000, 0.0021011400000000 ] - [ -0.0001621700000000, -0.0000938800000000, 0.0021011400000000 ] - [ 0.0000032300000000, 0.0001878600000000, 0.0021145900000000 ] - [ -0.0001643100000000, -0.0000911300000000, 0.0021145900000000 ] - [ 0.0001623800000000, -0.0000935000000000, 0.0021011400000000 ] - [ 0.0001610800000000, -0.0000967300000000, 0.0021145900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0031850300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0032031500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003402900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002208500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005325200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000553700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0018218800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004121000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004730900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003411500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002185300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003527400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004137500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002808900000000 ] - [ 0.0012023400000000, 0.0036419700000000, -0.0032932700000000 ] - [ 0.0143170600000000, 0.0016947700000000, 0.0016365900000000 ] - [ 0.0002788900000000, -0.0006926200000000, -0.0010414600000000 ] - [ 0.0000843200000000, 0.0009808600000000, -0.0016960800000000 ] - [ -0.0056908200000000, -0.0132463200000000, 0.0016365900000000 ] - [ -0.0037552100000000, -0.0007797300000000, -0.0032932700000000 ] - [ 0.0008072900000000, -0.0005634600000000, -0.0016960800000000 ] - [ 0.0004603800000000, 0.0005878400000000, -0.0010414600000000 ] - [ 0.0025528700000000, -0.0028622500000000, -0.0032932700000000 ] - [ -0.0086262400000000, 0.0115515600000000, 0.0016365900000000 ] - [ -0.0007392800000000, 0.0001047800000000, -0.0010414600000000 ] - [ -0.0008916100000000, -0.0004174100000000, -0.0016960800000000 ] - [ 0.0008039200000000, -0.0033106000000000, 0.0049309300000000 ] - [ -0.0032690200000000, 0.0009590800000000, 0.0049309300000000 ] - [ -0.0000616100000000, 0.0001841400000000, -0.0003422100000000 ] - [ 0.0001902700000000, -0.0000387200000000, -0.0003422100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0614320300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003681800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007591200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000598700000000 ] - [ 0.0024651000000000, 0.0023515200000000, 0.0049309300000000 ] - [ -0.0001286700000000, -0.0001454200000000, -0.0003422100000000 ] - [ -0.0008068200000000, -0.0005639300000000, -0.0016980800000000 ] - [ 0.0005825300000000, -0.0000213800000000, -0.0012182200000000 ] - [ 0.0002977900000000, -0.0005096400000000, -0.0012382200000000 ] - [ 0.0006080200000000, 0.0007775000000000, -0.0015006900000000 ] - [ -0.0003097800000000, -0.0004938000000000, -0.0012182200000000 ] - [ 0.0008917900000000, -0.0004167600000000, -0.0016980800000000 ] - [ 0.0003693200000000, -0.0009153100000000, -0.0015006900000000 ] - [ 0.0002924700000000, 0.0005127100000000, -0.0012382200000000 ] - [ -0.0000849700000000, 0.0009806900000000, -0.0016980800000000 ] - [ -0.0002727500000000, 0.0005151800000000, -0.0012182200000000 ] - [ -0.0005902600000000, -0.0000030700000000, -0.0012382200000000 ] - [ -0.0009773400000000, 0.0001378100000000, -0.0015006900000000 ] - [ 0.0001485300000000, -0.0001290700000000, -0.0003373300000000 ] - [ -0.0001860400000000, -0.0000640900000000, -0.0003373300000000 ] - [ -0.0000431100000000, 0.0001881500000000, -0.0003073200000000 ] - [ 0.0001845000000000, -0.0000567400000000, -0.0003073200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000656300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007003800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007405500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000133500000000 ] - [ 0.0000375100000000, 0.0001931600000000, -0.0003373300000000 ] - [ -0.0001413800000000, -0.0001314100000000, -0.0003073200000000 ] - [ -0.0008026500000000, -0.0005565100000000, -0.0016202500000000 ] - [ 0.0005903800000000, -0.0000057900000000, -0.0012461900000000 ] - [ 0.0003041800000000, -0.0005001300000000, -0.0011670100000000 ] - [ 0.0000856600000000, 0.0009887600000000, -0.0016484900000000 ] - [ -0.0003002100000000, -0.0005083900000000, -0.0012461900000000 ] - [ 0.0008832800000000, -0.0004168600000000, -0.0016202500000000 ] - [ 0.0008134600000000, -0.0005685600000000, -0.0016484900000000 ] - [ 0.0002810300000000, 0.0005134900000000, -0.0011670100000000 ] - [ -0.0000806200000000, 0.0009733700000000, -0.0016202500000000 ] - [ -0.0002901800000000, 0.0005141800000000, -0.0012461900000000 ] - [ -0.0005852100000000, -0.0000133700000000, -0.0011670100000000 ] - [ -0.0008991200000000, -0.0004201900000000, -0.0016484900000000 ] - [ 0.0001445200000000, -0.0001206000000000, -0.0002981500000000 ] - [ -0.0001767000000000, -0.0000648600000000, -0.0002981500000000 ] - [ -0.0000369800000000, 0.0001936200000000, -0.0002596300000000 ] - [ 0.0001861700000000, -0.0000647800000000, -0.0002596300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000141100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006763700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006259100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000063600000000 ] - [ 0.0000321800000000, 0.0001854600000000, -0.0002981500000000 ] - [ -0.0001491900000000, -0.0001288400000000, -0.0002596300000000 ]