# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/0c742761-0b5a-43bb-8197-e5c11cd46918/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 KSb(PO4)2 / R-3 (148) / materials id 554155](https://mdr.nims.go.jp/datasets/26df873f-da3e-4af5-a308-013510ace866) ## 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-3" number: 148 Hall_symbol: "-R 3"primitive_matrix:- [ 0.666666666666667, -0.333333333333333, -0.333333333333333 ]- [ 0.333333333333333, 0.333333333333333, -0.666666666666667 ]- [ 0.333333333333333, 0.333333333333333, 0.333333333333333 ]supercell_matrix:- [ 2, 0, 0 ]- [ 0, 2, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 2.395626963333336, 1.383115963333332, 8.583664406666658 ] # a - [ -2.395627046666664, 1.383115833333332, 8.583664406666658 ] # b - [ 0.000000083333336, -2.766231796666668, 8.583664406666658 ] # c points: - symbol: K # 1 coordinates: [ 0.500000000000000, 0.500000010000001, 0.500000000000000 ] mass: 39.098300 - symbol: Sb # 2 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 121.760000 - symbol: P # 3 coordinates: [ 0.735019660000000, 0.735019650000000, 0.735019660000000 ] mass: 30.973762 - symbol: P # 4 coordinates: [ 0.264980340000000, 0.264980340000001, 0.264980340000000 ] mass: 30.973762 - symbol: O # 5 coordinates: [ 0.792767200000000, 0.792767190000000, 0.792767200000000 ] mass: 15.999400 - symbol: O # 6 coordinates: [ 0.396016560000000, 0.737522630000000, 0.003764720000000 ] mass: 15.999400 - symbol: O # 7 coordinates: [ 0.207232800000000, 0.207232800000001, 0.207232800000000 ] mass: 15.999400 - symbol: O # 8 coordinates: [ 0.003764720000000, 0.396016540000000, 0.737522650000000 ] mass: 15.999400 - symbol: O # 9 coordinates: [ 0.996235280000000, 0.603983450000001, 0.262477350000000 ] mass: 15.999400 - symbol: O # 10 coordinates: [ 0.737522650000000, 0.003764700000000, 0.396016560000000 ] mass: 15.999400 - symbol: O # 11 coordinates: [ 0.262477350000000, 0.996235300000001, 0.603983430000000 ] mass: 15.999400 - symbol: O # 12 coordinates: [ 0.603983430000000, 0.262477370000001, 0.996235280000000 ] mass: 15.999400 reciprocal_lattice: # without 2pi - [ 0.208713623249310, 0.120500874557152, 0.038833453585912 ] # a* - [ -0.208713629788355, 0.120500861982065, 0.038833453585912 ] # b* - [ 0.000000006539045, -0.241001736539217, 0.038833453585912 ] # c*unit_cell: lattice: - [ 4.791254010000000, 0.000000130000000, 0.000000000000000 ] # a - [ -2.395627130000000, 4.149347630000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 25.750993220000002 ] # c points: - symbol: K # 1 coordinates: [ 0.333333330000000, 0.666666670000000, 0.166666670000000 ] mass: 39.098300 reduced_to: 1 - symbol: K # 2 coordinates: [ 0.000000000000000, 0.000000000000000, 0.500000000000000 ] mass: 39.098300 reduced_to: 1 - symbol: K # 3 coordinates: [ 0.666666670000000, 0.333333330000000, 0.833333330000000 ] mass: 39.098300 reduced_to: 1 - symbol: Sb # 4 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 121.760000 reduced_to: 4 - symbol: Sb # 5 coordinates: [ 0.666666670000000, 0.333333330000000, 0.333333330000000 ] mass: 121.760000 reduced_to: 4 - symbol: Sb # 6 coordinates: [ 0.333333330000000, 0.666666670000000, 0.666666670000000 ] mass: 121.760000 reduced_to: 4 - symbol: P # 7 coordinates: [ 0.666666670000000, 0.333333330000000, 0.068352990000000 ] mass: 30.973762 reduced_to: 7 - symbol: P # 8 coordinates: [ 0.000000000000000, 0.000000000000000, 0.264980340000000 ] mass: 30.973762 reduced_to: 8 - symbol: P # 9 coordinates: [ 0.333333330000000, 0.666666670000000, 0.401686330000000 ] mass: 30.973762 reduced_to: 7 - symbol: P # 10 coordinates: [ 0.666666670000000, 0.333333330000000, 0.598313670000000 ] mass: 30.973762 reduced_to: 8 - symbol: P # 11 coordinates: [ 0.000000000000000, 0.000000000000000, 0.735019660000000 ] mass: 30.973762 reduced_to: 7 - symbol: P # 12 coordinates: [ 0.333333330000000, 0.666666670000000, 0.931647010000000 ] mass: 30.973762 reduced_to: 8 - symbol: O # 13 coordinates: [ 0.666666670000000, 0.333333330000000, 0.126100530000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 14 coordinates: [ 0.350248590000000, 0.042003250000000, 0.045767970000000 ] mass: 15.999400 reduced_to: 14 - symbol: O # 15 coordinates: [ 0.000000000000000, 0.000000000000000, 0.207232800000000 ] mass: 15.999400 reduced_to: 15 - symbol: O # 16 coordinates: [ 0.957996750000000, 0.308245320000000, 0.045767970000000 ] mass: 15.999400 reduced_to: 16 - symbol: O # 17 coordinates: [ 0.708669920000000, 0.025088010000000, 0.287565360000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 18 coordinates: [ 0.691754680000000, 0.649751410000000, 0.045767970000000 ] mass: 15.999400 reduced_to: 18 - symbol: O # 19 coordinates: [ 0.974911990000000, 0.683581930000000, 0.287565360000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 20 coordinates: [ 0.316418070000000, 0.291330080000000, 0.287565360000000 ] mass: 15.999400 reduced_to: 20 - symbol: O # 21 coordinates: [ 0.333333330000000, 0.666666670000000, 0.459433860000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 22 coordinates: [ 0.016915260000000, 0.375336590000000, 0.379101310000000 ] mass: 15.999400 reduced_to: 14 - symbol: O # 23 coordinates: [ 0.666666670000000, 0.333333330000000, 0.540566140000000 ] mass: 15.999400 reduced_to: 15 - symbol: O # 24 coordinates: [ 0.624663410000000, 0.641578650000000, 0.379101310000000 ] mass: 15.999400 reduced_to: 16 - symbol: O # 25 coordinates: [ 0.375336590000000, 0.358421350000000, 0.620898690000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 26 coordinates: [ 0.358421350000000, 0.983084740000000, 0.379101310000000 ] mass: 15.999400 reduced_to: 18 - symbol: O # 27 coordinates: [ 0.641578650000000, 0.016915260000000, 0.620898690000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 28 coordinates: [ 0.983084740000000, 0.624663410000000, 0.620898690000000 ] mass: 15.999400 reduced_to: 20 - symbol: O # 29 coordinates: [ 0.000000000000000, 0.000000000000000, 0.792767200000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 30 coordinates: [ 0.683581930000000, 0.708669920000000, 0.712434640000000 ] mass: 15.999400 reduced_to: 14 - symbol: O # 31 coordinates: [ 0.333333330000000, 0.666666670000000, 0.873899470000000 ] mass: 15.999400 reduced_to: 15 - symbol: O # 32 coordinates: [ 0.291330080000000, 0.974911990000000, 0.712434640000000 ] mass: 15.999400 reduced_to: 16 - symbol: O # 33 coordinates: [ 0.042003250000000, 0.691754680000000, 0.954232030000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 34 coordinates: [ 0.025088010000000, 0.316418070000000, 0.712434640000000 ] mass: 15.999400 reduced_to: 18 - symbol: O # 35 coordinates: [ 0.308245320000000, 0.350248590000000, 0.954232030000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 36 coordinates: [ 0.649751410000000, 0.957996750000000, 0.954232030000000 ] mass: 15.999400 reduced_to: 20supercell: lattice: - [ 9.582508020000001, 0.000000260000000, 0.000000000000000 ] # a - [ -4.791254260000000, 8.298695260000001, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 25.750993220000002 ] # c points: - symbol: K # 1 coordinates: [ 0.166666665000000, 0.333333335000000, 0.166666670000000 ] mass: 39.098300 reduced_to: 1 - symbol: K # 2 coordinates: [ 0.666666665000000, 0.333333335000000, 0.166666670000000 ] mass: 39.098300 reduced_to: 1 - symbol: K # 3 coordinates: [ 0.166666665000000, 0.833333335000000, 0.166666670000000 ] mass: 39.098300 reduced_to: 1 - symbol: K # 4 coordinates: [ 0.666666665000000, 0.833333335000000, 0.166666670000000 ] mass: 39.098300 reduced_to: 1 - symbol: K # 5 coordinates: [ 0.000000000000000, 0.000000000000000, 0.500000000000000 ] mass: 39.098300 reduced_to: 1 - symbol: K # 6 coordinates: [ 0.500000000000000, 0.000000000000000, 0.500000000000000 ] mass: 39.098300 reduced_to: 1 - symbol: K # 7 coordinates: [ 0.000000000000000, 0.500000000000000, 0.500000000000000 ] mass: 39.098300 reduced_to: 1 - symbol: K # 8 coordinates: [ 0.500000000000000, 0.500000000000000, 0.500000000000000 ] mass: 39.098300 reduced_to: 1 - symbol: K # 9 coordinates: [ 0.333333335000000, 0.166666665000000, 0.833333330000000 ] mass: 39.098300 reduced_to: 1 - symbol: K # 10 coordinates: [ 0.833333335000000, 0.166666665000000, 0.833333330000000 ] mass: 39.098300 reduced_to: 1 - symbol: K # 11 coordinates: [ 0.333333335000000, 0.666666665000000, 0.833333330000000 ] mass: 39.098300 reduced_to: 1 - symbol: K # 12 coordinates: [ 0.833333335000000, 0.666666665000000, 0.833333330000000 ] mass: 39.098300 reduced_to: 1 - symbol: Sb # 13 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 121.760000 reduced_to: 13 - symbol: Sb # 14 coordinates: [ 0.500000000000000, 0.000000000000000, 0.000000000000000 ] mass: 121.760000 reduced_to: 13 - symbol: Sb # 15 coordinates: [ 0.000000000000000, 0.500000000000000, 0.000000000000000 ] mass: 121.760000 reduced_to: 13 - symbol: Sb # 16 coordinates: [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ] mass: 121.760000 reduced_to: 13 - symbol: Sb # 17 coordinates: [ 0.333333335000000, 0.166666665000000, 0.333333330000000 ] mass: 121.760000 reduced_to: 13 - symbol: Sb # 18 coordinates: [ 0.833333335000000, 0.166666665000000, 0.333333330000000 ] mass: 121.760000 reduced_to: 13 - symbol: Sb # 19 coordinates: [ 0.333333335000000, 0.666666665000000, 0.333333330000000 ] mass: 121.760000 reduced_to: 13 - symbol: Sb # 20 coordinates: [ 0.833333335000000, 0.666666665000000, 0.333333330000000 ] mass: 121.760000 reduced_to: 13 - symbol: Sb # 21 coordinates: [ 0.166666665000000, 0.333333335000000, 0.666666670000000 ] mass: 121.760000 reduced_to: 13 - symbol: Sb # 22 coordinates: [ 0.666666665000000, 0.333333335000000, 0.666666670000000 ] mass: 121.760000 reduced_to: 13 - symbol: Sb # 23 coordinates: [ 0.166666665000000, 0.833333335000000, 0.666666670000000 ] mass: 121.760000 reduced_to: 13 - symbol: Sb # 24 coordinates: [ 0.666666665000000, 0.833333335000000, 0.666666670000000 ] mass: 121.760000 reduced_to: 13 - symbol: P # 25 coordinates: [ 0.333333335000000, 0.166666665000000, 0.068352990000000 ] mass: 30.973762 reduced_to: 25 - symbol: P # 26 coordinates: [ 0.833333335000000, 0.166666665000000, 0.068352990000000 ] mass: 30.973762 reduced_to: 25 - symbol: P # 27 coordinates: [ 0.333333335000000, 0.666666665000000, 0.068352990000000 ] mass: 30.973762 reduced_to: 25 - symbol: P # 28 coordinates: [ 0.833333335000000, 0.666666665000000, 0.068352990000000 ] mass: 30.973762 reduced_to: 25 - symbol: P # 29 coordinates: [ 0.000000000000000, 0.000000000000000, 0.264980340000000 ] mass: 30.973762 reduced_to: 29 - symbol: P # 30 coordinates: [ 0.500000000000000, 0.000000000000000, 0.264980340000000 ] mass: 30.973762 reduced_to: 29 - symbol: P # 31 coordinates: [ 0.000000000000000, 0.500000000000000, 0.264980340000000 ] mass: 30.973762 reduced_to: 29 - symbol: P # 32 coordinates: [ 0.500000000000000, 0.500000000000000, 0.264980340000000 ] mass: 30.973762 reduced_to: 29 - symbol: P # 33 coordinates: [ 0.166666665000000, 0.333333335000000, 0.401686330000000 ] mass: 30.973762 reduced_to: 25 - symbol: P # 34 coordinates: [ 0.666666665000000, 0.333333335000000, 0.401686330000000 ] mass: 30.973762 reduced_to: 25 - symbol: P # 35 coordinates: [ 0.166666665000000, 0.833333335000000, 0.401686330000000 ] mass: 30.973762 reduced_to: 25 - symbol: P # 36 coordinates: [ 0.666666665000000, 0.833333335000000, 0.401686330000000 ] mass: 30.973762 reduced_to: 25 - symbol: P # 37 coordinates: [ 0.333333335000000, 0.166666665000000, 0.598313670000000 ] mass: 30.973762 reduced_to: 29 - symbol: P # 38 coordinates: [ 0.833333335000000, 0.166666665000000, 0.598313670000000 ] mass: 30.973762 reduced_to: 29 - symbol: P # 39 coordinates: [ 0.333333335000000, 0.666666665000000, 0.598313670000000 ] mass: 30.973762 reduced_to: 29 - symbol: P # 40 coordinates: [ 0.833333335000000, 0.666666665000000, 0.598313670000000 ] mass: 30.973762 reduced_to: 29 - symbol: P # 41 coordinates: [ 0.000000000000000, 0.000000000000000, 0.735019660000000 ] mass: 30.973762 reduced_to: 25 - symbol: P # 42 coordinates: [ 0.500000000000000, 0.000000000000000, 0.735019660000000 ] mass: 30.973762 reduced_to: 25 - symbol: P # 43 coordinates: [ 0.000000000000000, 0.500000000000000, 0.735019660000000 ] mass: 30.973762 reduced_to: 25 - symbol: P # 44 coordinates: [ 0.500000000000000, 0.500000000000000, 0.735019660000000 ] mass: 30.973762 reduced_to: 25 - symbol: P # 45 coordinates: [ 0.166666665000000, 0.333333335000000, 0.931647010000000 ] mass: 30.973762 reduced_to: 29 - symbol: P # 46 coordinates: [ 0.666666665000000, 0.333333335000000, 0.931647010000000 ] mass: 30.973762 reduced_to: 29 - symbol: P # 47 coordinates: [ 0.166666665000000, 0.833333335000000, 0.931647010000000 ] mass: 30.973762 reduced_to: 29 - symbol: P # 48 coordinates: [ 0.666666665000000, 0.833333335000000, 0.931647010000000 ] mass: 30.973762 reduced_to: 29 - symbol: O # 49 coordinates: [ 0.333333335000000, 0.166666665000000, 0.126100530000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 50 coordinates: [ 0.833333335000000, 0.166666665000000, 0.126100530000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 51 coordinates: [ 0.333333335000000, 0.666666665000000, 0.126100530000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 52 coordinates: [ 0.833333335000000, 0.666666665000000, 0.126100530000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 53 coordinates: [ 0.175124295000000, 0.021001625000000, 0.045767970000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 54 coordinates: [ 0.675124295000000, 0.021001625000000, 0.045767970000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 55 coordinates: [ 0.175124295000000, 0.521001625000000, 0.045767970000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 56 coordinates: [ 0.675124295000000, 0.521001625000000, 0.045767970000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 57 coordinates: [ 0.000000000000000, 0.000000000000000, 0.207232800000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 58 coordinates: [ 0.500000000000000, 0.000000000000000, 0.207232800000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 59 coordinates: [ 0.000000000000000, 0.500000000000000, 0.207232800000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 60 coordinates: [ 0.500000000000000, 0.500000000000000, 0.207232800000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 61 coordinates: [ 0.478998375000000, 0.154122660000000, 0.045767970000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 62 coordinates: [ 0.978998375000000, 0.154122660000000, 0.045767970000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 63 coordinates: [ 0.478998375000000, 0.654122660000000, 0.045767970000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 64 coordinates: [ 0.978998375000000, 0.654122660000000, 0.045767970000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 65 coordinates: [ 0.354334960000000, 0.012544005000000, 0.287565360000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 66 coordinates: [ 0.854334960000000, 0.012544005000000, 0.287565360000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 67 coordinates: [ 0.354334960000000, 0.512544005000000, 0.287565360000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 68 coordinates: [ 0.854334960000000, 0.512544005000000, 0.287565360000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 69 coordinates: [ 0.345877340000000, 0.324875705000000, 0.045767970000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 70 coordinates: [ 0.845877340000000, 0.324875705000000, 0.045767970000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 71 coordinates: [ 0.345877340000000, 0.824875705000000, 0.045767970000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 72 coordinates: [ 0.845877340000000, 0.824875705000000, 0.045767970000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 73 coordinates: [ 0.487455995000000, 0.341790965000000, 0.287565360000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 74 coordinates: [ 0.987455995000000, 0.341790965000000, 0.287565360000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 75 coordinates: [ 0.487455995000000, 0.841790965000000, 0.287565360000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 76 coordinates: [ 0.987455995000000, 0.841790965000000, 0.287565360000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 77 coordinates: [ 0.158209035000000, 0.145665040000000, 0.287565360000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 78 coordinates: [ 0.658209035000000, 0.145665040000000, 0.287565360000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 79 coordinates: [ 0.158209035000000, 0.645665040000000, 0.287565360000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 80 coordinates: [ 0.658209035000000, 0.645665040000000, 0.287565360000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 81 coordinates: [ 0.166666665000000, 0.333333335000000, 0.459433860000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 82 coordinates: [ 0.666666665000000, 0.333333335000000, 0.459433860000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 83 coordinates: [ 0.166666665000000, 0.833333335000000, 0.459433860000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 84 coordinates: [ 0.666666665000000, 0.833333335000000, 0.459433860000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 85 coordinates: [ 0.008457630000000, 0.187668295000000, 0.379101310000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 86 coordinates: [ 0.508457630000000, 0.187668295000000, 0.379101310000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 87 coordinates: [ 0.008457630000000, 0.687668295000000, 0.379101310000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 88 coordinates: [ 0.508457630000000, 0.687668295000000, 0.379101310000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 89 coordinates: [ 0.333333335000000, 0.166666665000000, 0.540566140000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 90 coordinates: [ 0.833333335000000, 0.166666665000000, 0.540566140000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 91 coordinates: [ 0.333333335000000, 0.666666665000000, 0.540566140000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 92 coordinates: [ 0.833333335000000, 0.666666665000000, 0.540566140000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 93 coordinates: [ 0.312331705000000, 0.320789325000000, 0.379101310000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 94 coordinates: [ 0.812331705000000, 0.320789325000000, 0.379101310000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 95 coordinates: [ 0.312331705000000, 0.820789325000000, 0.379101310000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 96 coordinates: [ 0.812331705000000, 0.820789325000000, 0.379101310000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 97 coordinates: [ 0.187668295000000, 0.179210675000000, 0.620898690000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 98 coordinates: [ 0.687668295000000, 0.179210675000000, 0.620898690000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 99 coordinates: [ 0.187668295000000, 0.679210675000000, 0.620898690000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 100 coordinates: [ 0.687668295000000, 0.679210675000000, 0.620898690000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 101 coordinates: [ 0.179210675000000, 0.491542370000000, 0.379101310000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 102 coordinates: [ 0.679210675000000, 0.491542370000000, 0.379101310000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 103 coordinates: [ 0.179210675000000, 0.991542370000000, 0.379101310000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 104 coordinates: [ 0.679210675000000, 0.991542370000000, 0.379101310000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 105 coordinates: [ 0.320789325000000, 0.008457630000000, 0.620898690000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 106 coordinates: [ 0.820789325000000, 0.008457630000000, 0.620898690000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 107 coordinates: [ 0.320789325000000, 0.508457630000000, 0.620898690000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 108 coordinates: [ 0.820789325000000, 0.508457630000000, 0.620898690000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 109 coordinates: [ 0.491542370000000, 0.312331705000000, 0.620898690000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 110 coordinates: [ 0.991542370000000, 0.312331705000000, 0.620898690000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 111 coordinates: [ 0.491542370000000, 0.812331705000000, 0.620898690000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 112 coordinates: [ 0.991542370000000, 0.812331705000000, 0.620898690000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 113 coordinates: [ 0.000000000000000, 0.000000000000000, 0.792767200000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 114 coordinates: [ 0.500000000000000, 0.000000000000000, 0.792767200000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 115 coordinates: [ 0.000000000000000, 0.500000000000000, 0.792767200000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 116 coordinates: [ 0.500000000000000, 0.500000000000000, 0.792767200000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 117 coordinates: [ 0.341790965000000, 0.354334960000000, 0.712434640000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 118 coordinates: [ 0.841790965000000, 0.354334960000000, 0.712434640000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 119 coordinates: [ 0.341790965000000, 0.854334960000000, 0.712434640000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 120 coordinates: [ 0.841790965000000, 0.854334960000000, 0.712434640000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 121 coordinates: [ 0.166666665000000, 0.333333335000000, 0.873899470000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 122 coordinates: [ 0.666666665000000, 0.333333335000000, 0.873899470000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 123 coordinates: [ 0.166666665000000, 0.833333335000000, 0.873899470000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 124 coordinates: [ 0.666666665000000, 0.833333335000000, 0.873899470000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 125 coordinates: [ 0.145665040000000, 0.487455995000000, 0.712434640000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 126 coordinates: [ 0.645665040000000, 0.487455995000000, 0.712434640000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 127 coordinates: [ 0.145665040000000, 0.987455995000000, 0.712434640000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 128 coordinates: [ 0.645665040000000, 0.987455995000000, 0.712434640000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 129 coordinates: [ 0.021001625000000, 0.345877340000000, 0.954232030000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 130 coordinates: [ 0.521001625000000, 0.345877340000000, 0.954232030000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 131 coordinates: [ 0.021001625000000, 0.845877340000000, 0.954232030000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 132 coordinates: [ 0.521001625000000, 0.845877340000000, 0.954232030000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 133 coordinates: [ 0.012544005000000, 0.158209035000000, 0.712434640000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 134 coordinates: [ 0.512544005000000, 0.158209035000000, 0.712434640000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 135 coordinates: [ 0.012544005000000, 0.658209035000000, 0.712434640000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 136 coordinates: [ 0.512544005000000, 0.658209035000000, 0.712434640000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 137 coordinates: [ 0.154122660000000, 0.175124295000000, 0.954232030000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 138 coordinates: [ 0.654122660000000, 0.175124295000000, 0.954232030000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 139 coordinates: [ 0.154122660000000, 0.675124295000000, 0.954232030000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 140 coordinates: [ 0.654122660000000, 0.675124295000000, 0.954232030000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 141 coordinates: [ 0.324875705000000, 0.478998375000000, 0.954232030000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 142 coordinates: [ 0.824875705000000, 0.478998375000000, 0.954232030000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 143 coordinates: [ 0.324875705000000, 0.978998375000000, 0.954232030000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 144 coordinates: [ 0.824875705000000, 0.978998375000000, 0.954232030000000 ] mass: 15.999400 reduced_to: 77displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000002713277, 0.0000000000000000 ] forces: - [ -0.0106733100000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0033776400000000, 0.0000031900000000, -0.0000010800000000 ] - [ 0.0002458300000000, -0.0018113900000000, 0.0002971800000000 ] - [ 0.0002402500000000, 0.0018081900000000, -0.0002967000000000 ] - [ 0.0000083000000000, 0.0000062700000000, 0.0000013600000000 ] - [ -0.0000088400000000, -0.0000000600000000, 0.0000002200000000 ] - [ -0.0000052600000000, 0.0000016100000000, -0.0000252100000000 ] - [ 0.0000055100000000, -0.0000078400000000, 0.0000243800000000 ] - [ -0.0000053600000000, 0.0000015400000000, -0.0000254500000000 ] - [ 0.0000055700000000, -0.0000078700000000, 0.0000241800000000 ] - [ 0.0000082500000000, 0.0000063100000000, 0.0000013000000000 ] - [ -0.0000088600000000, 0.0000000800000000, -0.0000000300000000 ] - [ -0.0024220400000000, 0.0006366100000000, 0.0000980200000000 ] - [ 0.0021214400000000, -0.0006370100000000, -0.0000001900000000 ] - [ 0.0001407200000000, -0.0013569300000000, 0.0018540600000000 ] - [ 0.0005807900000000, 0.0018513700000000, -0.0019538400000000 ] - [ 0.0001244900000000, -0.0013631700000000, 0.0018621900000000 ] - [ 0.0005870400000000, 0.0018454000000000, -0.0019445300000000 ] - [ -0.0024188400000000, 0.0006335100000000, 0.0001022000000000 ] - [ 0.0021222200000000, -0.0006267800000000, 0.0000062600000000 ] - [ -0.0000077800000000, -0.0000013300000000, -0.0000061200000000 ] - [ 0.0000037100000000, -0.0000004100000000, -0.0000071900000000 ] - [ 0.0000024400000000, -0.0000008900000000, -0.0000085500000000 ] - [ 0.0000028700000000, 0.0000002700000000, -0.0000024800000000 ] - [ 0.0019870400000000, -0.0024376300000000, -0.0079024500000000 ] - [ 0.0013760100000000, 0.0020784800000000, 0.0083058100000000 ] - [ -0.0022353500000000, -0.0007071100000000, -0.0001782600000000 ] - [ 0.0011216900000000, 0.0005158700000000, 0.0000759100000000 ] - [ -0.0022350400000000, -0.0006912700000000, -0.0003784300000000 ] - [ 0.0011173000000000, 0.0005088700000000, -0.0000764900000000 ] - [ 0.0019794100000000, -0.0024239000000000, -0.0080290800000000 ] - [ 0.0013710000000000, 0.0020980500000000, 0.0081811000000000 ] - [ -0.0008503600000000, -0.0002989200000000, 0.0000659600000000 ] - [ 0.0008432500000000, 0.0002535000000000, 0.0000723200000000 ] - [ 0.0001729300000000, -0.0004752600000000, -0.0000190900000000 ] - [ -0.0001221800000000, 0.0004685800000000, 0.0001464000000000 ] - [ -0.0000034400000000, -0.0000012000000000, -0.0000657700000000 ] - [ -0.0000036800000000, 0.0000023500000000, -0.0000673800000000 ] - [ -0.0000067100000000, 0.0000000700000000, -0.0000645300000000 ] - [ -0.0000004800000000, -0.0000004100000000, -0.0000657700000000 ] - [ -0.0000008200000000, 0.0000002100000000, 0.0000805600000000 ] - [ 0.0000054400000000, -0.0000003000000000, 0.0000796400000000 ] - [ 0.0000023800000000, -0.0000010900000000, 0.0000797800000000 ] - [ 0.0000020200000000, 0.0000024900000000, 0.0000781200000000 ] - [ -0.0008567600000000, -0.0002984900000000, -0.0000793200000000 ] - [ 0.0008378800000000, 0.0002522700000000, -0.0000750600000000 ] - [ 0.0001704800000000, -0.0004770500000000, -0.0001651300000000 ] - [ -0.0001283500000000, 0.0004673900000000, 0.0000004900000000 ] - [ 0.0002154300000000, 0.0008135500000000, 0.0012906600000000 ] - [ 0.0002189200000000, -0.0008895600000000, -0.0031334900000000 ] - [ 0.0016946100000000, 0.0000907200000000, -0.0008522100000000 ] - [ -0.0006080100000000, -0.0000750200000000, -0.0008780700000000 ] - [ 0.0014995700000000, 0.0015690300000000, 0.0018603000000000 ] - [ -0.0018607400000000, -0.0013189100000000, -0.0020947600000000 ] - [ 0.0007138500000000, 0.0011559500000000, -0.0004717600000000 ] - [ -0.0008742900000000, -0.0005166900000000, -0.0000347000000000 ] - [ 0.0016940700000000, 0.0000813900000000, 0.0009190300000000 ] - [ -0.0006080300000000, -0.0000700300000000, 0.0008784400000000 ] - [ 0.0001078400000000, 0.0008678600000000, 0.0030999800000000 ] - [ 0.0003294800000000, -0.0008382500000000, -0.0013236300000000 ] - [ -0.0025190800000000, 0.0005891500000000, 0.0019891100000000 ] - [ 0.0021263200000000, -0.0011137400000000, -0.0020917600000000 ] - [ 0.0007278600000000, -0.0006843600000000, 0.0000341700000000 ] - [ -0.0006832300000000, 0.0001538200000000, -0.0000206400000000 ] - [ -0.0005583000000000, 0.0005208200000000, 0.0000318300000000 ] - [ 0.0008385600000000, -0.0003150500000000, 0.0000966900000000 ] - [ 0.0022617600000000, -0.0007460300000000, -0.0020404600000000 ] - [ -0.0023956700000000, 0.0009525400000000, 0.0020410000000000 ] - [ 0.0000305800000000, -0.0010859800000000, 0.0024803400000000 ] - [ -0.0002727900000000, 0.0012298900000000, -0.0019728800000000 ] - [ 0.0000278200000000, 0.0003272500000000, 0.0000190700000000 ] - [ 0.0003687900000000, -0.0002300000000000, -0.0000254300000000 ] - [ -0.0006474800000000, 0.0011517700000000, -0.0019271000000000 ] - [ -0.0003523400000000, -0.0011592900000000, 0.0025268900000000 ] - [ -0.0000077400000000, -0.0003078400000000, 0.0000300600000000 ] - [ -0.0003457500000000, 0.0002349100000000, 0.0000866700000000 ] - [ 0.0009878300000000, 0.0008725800000000, -0.0004017400000000 ] - [ -0.0006133700000000, -0.0008002900000000, 0.0000205100000000 ] - [ 0.0017545300000000, 0.0012780300000000, 0.0019107800000000 ] - [ -0.0016012700000000, -0.0016077000000000, -0.0020393400000000 ] - [ 0.0001538600000000, 0.0000376100000000, -0.0008658900000000 ] - [ -0.0001621200000000, -0.0000265400000000, -0.0008449700000000 ] - [ -0.0000210000000000, 0.0000922900000000, -0.0008114800000000 ] - [ 0.0000112100000000, -0.0000890300000000, -0.0009409300000000 ] - [ 0.0003692900000000, 0.0001927700000000, 0.0003581200000000 ] - [ -0.0005786400000000, 0.0000686300000000, -0.0003857800000000 ] - [ -0.0000621600000000, 0.0004222300000000, 0.0002343100000000 ] - [ -0.0002275000000000, -0.0001691700000000, -0.0003285800000000 ] - [ -0.0000010600000000, 0.0000027100000000, 0.0008645500000000 ] - [ 0.0000009500000000, -0.0000048300000000, 0.0008671400000000 ] - [ 0.0000064500000000, 0.0000007500000000, 0.0008642100000000 ] - [ -0.0000065700000000, 0.0000008600000000, 0.0008652000000000 ] - [ 0.0004665300000000, -0.0002149200000000, -0.0004651900000000 ] - [ -0.0006864300000000, -0.0001704900000000, 0.0004435700000000 ] - [ -0.0000868500000000, 0.0000595300000000, 0.0001969800000000 ] - [ -0.0000404700000000, -0.0004374000000000, -0.0002535400000000 ] - [ 0.0000596500000000, 0.0001850000000000, 0.0000297600000000 ] - [ 0.0000587900000000, 0.0001847700000000, 0.0000305100000000 ] - [ 0.0000610000000000, 0.0001847800000000, 0.0000298900000000 ] - [ 0.0000580300000000, 0.0001850000000000, 0.0000297100000000 ] - [ 0.0006315700000000, 0.0000346100000000, 0.0000142900000000 ] - [ -0.0002296100000000, 0.0001022300000000, -0.0000732200000000 ] - [ 0.0001092500000000, 0.0003564400000000, -0.0002076800000000 ] - [ 0.0002259600000000, -0.0002319800000000, 0.0000943400000000 ] - [ -0.0001876100000000, -0.0000427200000000, 0.0000311700000000 ] - [ -0.0001875200000000, -0.0000451700000000, 0.0000317600000000 ] - [ -0.0001873300000000, -0.0000433700000000, 0.0000310400000000 ] - [ -0.0001884800000000, -0.0000429100000000, 0.0000316400000000 ] - [ 0.0001328100000000, -0.0001413900000000, 0.0000313700000000 ] - [ 0.0001336200000000, -0.0001418900000000, 0.0000323100000000 ] - [ 0.0001338700000000, -0.0001413900000000, 0.0000313300000000 ] - [ 0.0001326600000000, -0.0001422400000000, 0.0000317600000000 ] - [ 0.0000066200000000, 0.0000010200000000, -0.0008801400000000 ] - [ -0.0000063600000000, 0.0000011900000000, -0.0008797000000000 ] - [ -0.0000009500000000, 0.0000029800000000, -0.0008803700000000 ] - [ 0.0000011600000000, -0.0000045400000000, -0.0008777300000000 ] - [ -0.0001312600000000, 0.0001423700000000, -0.0000291400000000 ] - [ -0.0001320400000000, 0.0001427700000000, -0.0000300400000000 ] - [ -0.0001321700000000, 0.0001418800000000, -0.0000296300000000 ] - [ -0.0001311000000000, 0.0001427500000000, -0.0000301700000000 ] - [ 0.0001539100000000, 0.0000370900000000, 0.0008801600000000 ] - [ -0.0001622000000000, -0.0000266900000000, 0.0009015100000000 ] - [ -0.0000215900000000, 0.0000922900000000, 0.0009339600000000 ] - [ 0.0000113100000000, -0.0000893400000000, 0.0008045500000000 ] - [ -0.0000599400000000, -0.0001833000000000, -0.0000280600000000 ] - [ -0.0000606600000000, -0.0001834000000000, -0.0000273100000000 ] - [ -0.0000589000000000, -0.0001835700000000, -0.0000280200000000 ] - [ -0.0000618300000000, -0.0001833800000000, -0.0000281200000000 ] - [ 0.0005858800000000, 0.0001519200000000, -0.0004085900000000 ] - [ -0.0005663100000000, 0.0001978400000000, 0.0005021500000000 ] - [ 0.0000320800000000, 0.0004282700000000, 0.0002560500000000 ] - [ 0.0000806900000000, -0.0000689000000000, -0.0001969100000000 ] - [ 0.0001881600000000, 0.0000414400000000, -0.0000295200000000 ] - [ 0.0001869800000000, 0.0000418700000000, -0.0000287400000000 ] - [ 0.0001876800000000, 0.0000423500000000, -0.0000293100000000 ] - [ 0.0001879600000000, 0.0000398000000000, -0.0000287000000000 ] - [ 0.0002558800000000, -0.0000498100000000, 0.0000747000000000 ] - [ -0.0006049100000000, 0.0000190100000000, -0.0000129800000000 ] - [ -0.0002683800000000, 0.0002747200000000, -0.0001495200000000 ] - [ -0.0001488200000000, -0.0003155900000000, 0.0001538200000000 ] - [ 0.0006339000000000, -0.0000930900000000, 0.0004184700000000 ] - [ -0.0003146300000000, -0.0002163000000000, -0.0003236000000000 ] - [ 0.0002008900000000, 0.0001388100000000, 0.0002942000000000 ] - [ 0.0000366400000000, -0.0004539200000000, -0.0002679100000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0108851800000000 ] - [ -0.0000008900000000, -0.0003429200000000, -0.0021005700000000 ] - [ 0.0002974200000000, 0.0001706900000000, -0.0021005700000000 ] - [ -0.0002965300000000, 0.0001722300000000, -0.0021005700000000 ] - [ 0.0000012400000000, -0.0000287200000000, 0.0006851000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006572100000000 ] - [ -0.0000254900000000, 0.0000132900000000, 0.0006851000000000 ] - [ 0.0000242500000000, 0.0000154300000000, 0.0006851000000000 ] - [ -0.0000253100000000, 0.0000131800000000, 0.0006852300000000 ] - [ 0.0000240700000000, 0.0000153300000000, 0.0006852300000000 ] - [ 0.0000012400000000, -0.0000285100000000, 0.0006852300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006574500000000 ] - [ -0.0004749000000000, 0.0022024500000000, 0.0020972800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011141900000000 ] - [ 0.0021448300000000, -0.0006899500000000, 0.0020972800000000 ] - [ -0.0016699300000000, -0.0015125000000000, 0.0020972800000000 ] - [ 0.0021589100000000, -0.0006916900000000, 0.0021095400000000 ] - [ -0.0016784700000000, -0.0015238300000000, 0.0021095400000000 ] - [ -0.0004804400000000, 0.0022155200000000, 0.0021095400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011147600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015901000000000 ] - [ 0.0000015800000000, 0.0000023900000000, 0.0015843700000000 ] - [ -0.0000028700000000, 0.0000001700000000, 0.0015843700000000 ] - [ 0.0000012800000000, -0.0000025700000000, 0.0015843700000000 ] - [ -0.0037478400000000, 0.0029109600000000, 0.0007530300000000 ] - [ 0.0043948900000000, 0.0017902500000000, 0.0007530300000000 ] - [ -0.0006470500000000, -0.0047012100000000, 0.0007530300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0029525600000000 ] - [ -0.0006515700000000, -0.0047474700000000, 0.0005607500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0031247800000000 ] - [ -0.0037856400000000, 0.0029380100000000, 0.0005607500000000 ] - [ 0.0044372100000000, 0.0018094500000000, 0.0005607500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0018947000000000 ] - [ -0.0002000800000000, -0.0000645200000000, 0.0013837000000000 ] - [ 0.0001559200000000, -0.0001410200000000, 0.0013837000000000 ] - [ 0.0000441600000000, 0.0002055400000000, 0.0013837000000000 ] - [ 0.0000030400000000, -0.0000018000000000, 0.0013541800000000 ] - [ -0.0000030800000000, -0.0000017300000000, 0.0013541800000000 ] - [ 0.0000000400000000, 0.0000035300000000, 0.0013541800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013441400000000 ] - [ 0.0000000400000000, 0.0000035100000000, 0.0015020700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014919300000000 ] - [ 0.0000030200000000, -0.0000017900000000, 0.0015020700000000 ] - [ -0.0000030600000000, -0.0000017200000000, 0.0015020700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017435000000000 ] - [ -0.0001974100000000, -0.0000662700000000, 0.0012370500000000 ] - [ 0.0001561000000000, -0.0001378200000000, 0.0012370500000000 ] - [ 0.0000413100000000, 0.0002040900000000, 0.0012370500000000 ] - [ 0.0007167000000000, -0.0004463300000000, 0.0011483400000000 ] - [ -0.0007448800000000, -0.0003975200000000, 0.0011483400000000 ] - [ 0.0000281800000000, 0.0008438400000000, 0.0011483400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010870500000000 ] - [ 0.0000597100000000, -0.0004965200000000, -0.0002174800000000 ] - [ -0.0007582300000000, -0.0003382300000000, -0.0001902000000000 ] - [ -0.0008660300000000, 0.0014331300000000, -0.0013367800000000 ] - [ 0.0005998400000000, 0.0007199500000000, 0.0006459500000000 ] - [ 0.0000284400000000, 0.0008199100000000, 0.0029356100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0028525000000000 ] - [ 0.0006958400000000, -0.0004345900000000, 0.0029356100000000 ] - [ -0.0007242800000000, -0.0003853200000000, 0.0029356100000000 ] - [ 0.0006720300000000, -0.0004875400000000, -0.0001902000000000 ] - [ -0.0008081100000000, -0.0014665700000000, -0.0013367800000000 ] - [ 0.0004001500000000, 0.0002999700000000, -0.0002174800000000 ] - [ -0.0009234200000000, 0.0001595100000000, 0.0006459500000000 ] - [ -0.0008091200000000, 0.0005279600000000, 0.0007052200000000 ] - [ 0.0005150200000000, 0.0006739000000000, -0.0001552800000000 ] - [ -0.0006992700000000, -0.0011081700000000, -0.0012805500000000 ] - [ 0.0007896600000000, -0.0001220700000000, -0.0001255000000000 ] - [ 0.0016741500000000, 0.0000334400000000, -0.0013367800000000 ] - [ -0.0004598600000000, 0.0001965500000000, -0.0002174800000000 ] - [ 0.0000862000000000, 0.0008257600000000, -0.0001902000000000 ] - [ 0.0003235700000000, -0.0008794500000000, 0.0006459500000000 ] - [ -0.0008411200000000, 0.0001090700000000, -0.0001552800000000 ] - [ 0.0013093400000000, -0.0000515100000000, -0.0012805500000000 ] - [ -0.0000526600000000, -0.0009647000000000, 0.0007052200000000 ] - [ -0.0002891100000000, 0.0007449100000000, -0.0001255000000000 ] - [ -0.0006100600000000, 0.0011596700000000, -0.0012805500000000 ] - [ 0.0008617900000000, 0.0004367400000000, 0.0007052200000000 ] - [ 0.0003261100000000, -0.0007829700000000, -0.0001552800000000 ] - [ -0.0005005500000000, -0.0006228300000000, -0.0001255000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0018444600000000 ] - [ 0.0000579800000000, 0.0000094900000000, -0.0017054200000000 ] - [ -0.0000372100000000, 0.0000454700000000, -0.0017054200000000 ] - [ -0.0000207700000000, -0.0000549600000000, -0.0017054200000000 ] - [ -0.0003027100000000, 0.0000380300000000, -0.0007380100000000 ] - [ -0.0003247300000000, 0.0001021000000000, -0.0003994900000000 ] - [ -0.0003142400000000, -0.0000155900000000, -0.0005061100000000 ] - [ -0.0004744300000000, -0.0003802900000000, -0.0006600400000000 ] - [ -0.0000072700000000, 0.0000045700000000, -0.0000112600000000 ] - [ 0.0000075900000000, 0.0000040100000000, -0.0000112600000000 ] - [ -0.0000003200000000, -0.0000085700000000, -0.0000112600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000036500000000 ] - [ 0.0001184200000000, -0.0002811700000000, -0.0007380100000000 ] - [ 0.0005665600000000, -0.0002207300000000, -0.0006600400000000 ] - [ 0.0000739400000000, -0.0003322700000000, -0.0003994900000000 ] - [ 0.0001706200000000, -0.0002643500000000, -0.0005061100000000 ] - [ 0.0003584900000000, 0.0000615900000000, -0.0005305500000000 ] - [ 0.0003610300000000, 0.0000609100000000, -0.0005296100000000 ] - [ 0.0003607100000000, 0.0000610700000000, -0.0005297300000000 ] - [ 0.0003576200000000, 0.0000618800000000, -0.0005269100000000 ] - [ 0.0001842900000000, 0.0002431400000000, -0.0007380100000000 ] - [ 0.0001436200000000, 0.0002799400000000, -0.0005061100000000 ] - [ -0.0000921200000000, 0.0006010200000000, -0.0006600400000000 ] - [ 0.0002507800000000, 0.0002301700000000, -0.0003994900000000 ] - [ -0.0002332600000000, 0.0002822100000000, -0.0005296100000000 ] - [ -0.0002332400000000, 0.0002818500000000, -0.0005297300000000 ] - [ -0.0002325800000000, 0.0002796700000000, -0.0005305500000000 ] - [ -0.0002323900000000, 0.0002787700000000, -0.0005269100000000 ] - [ -0.0001274700000000, -0.0003429200000000, -0.0005297300000000 ] - [ -0.0001259100000000, -0.0003412600000000, -0.0005305500000000 ] - [ -0.0001277700000000, -0.0003431100000000, -0.0005296100000000 ] - [ -0.0001252200000000, -0.0003406400000000, -0.0005269100000000 ] - [ -0.0000002900000000, -0.0000085300000000, -0.0017566200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0017488500000000 ] - [ -0.0000072400000000, 0.0000045200000000, -0.0017566200000000 ] - [ 0.0000075300000000, 0.0000040100000000, -0.0017566200000000 ] - [ -0.0003876400000000, -0.0000570900000000, -0.0005894300000000 ] - [ -0.0003892000000000, -0.0000585600000000, -0.0005886300000000 ] - [ -0.0003869400000000, -0.0000563300000000, -0.0005858700000000 ] - [ -0.0003894900000000, -0.0000588700000000, -0.0005885000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000984200000000 ] - [ 0.0000574000000000, 0.0000097900000000, 0.0000392700000000 ] - [ -0.0000371800000000, 0.0000448200000000, 0.0000392700000000 ] - [ -0.0000202200000000, -0.0000546000000000, 0.0000392700000000 ] - [ 0.0002432600000000, -0.0003071600000000, -0.0005894300000000 ] - [ 0.0002457300000000, -0.0003078700000000, -0.0005885000000000 ] - [ 0.0002453100000000, -0.0003077700000000, -0.0005886300000000 ] - [ 0.0002422500000000, -0.0003069300000000, -0.0005858700000000 ] - [ 0.0002363200000000, 0.0000869500000000, -0.0006787200000000 ] - [ 0.0006802800000000, 0.0001480600000000, -0.0006003900000000 ] - [ 0.0001906700000000, 0.0000358300000000, -0.0003418900000000 ] - [ 0.0002890400000000, 0.0001032000000000, -0.0004496900000000 ] - [ 0.0001443700000000, 0.0003642500000000, -0.0005894300000000 ] - [ 0.0001446800000000, 0.0003632600000000, -0.0005858700000000 ] - [ 0.0001437600000000, 0.0003667400000000, -0.0005885000000000 ] - [ 0.0001438800000000, 0.0003663300000000, -0.0005886300000000 ] - [ -0.0001934600000000, 0.0001611800000000, -0.0006787200000000 ] - [ -0.0002338900000000, 0.0001987100000000, -0.0004496900000000 ] - [ -0.0004683600000000, 0.0005151100000000, -0.0006003900000000 ] - [ -0.0001263700000000, 0.0001472100000000, -0.0003418900000000 ] - [ -0.0000428600000000, -0.0002481400000000, -0.0006787200000000 ] - [ -0.0000643100000000, -0.0001830400000000, -0.0003418900000000 ] - [ -0.0000551400000000, -0.0003019100000000, -0.0004496900000000 ] - [ -0.0002119200000000, -0.0006631700000000, -0.0006003900000000 ]- atom: 13 displacement: [ 0.0100000000000000, 0.0000000002713277, 0.0000000000000000 ] forces: - [ -0.0024210700000000, -0.0001164400000000, -0.0004794900000000 ] - [ 0.0021240400000000, 0.0006349400000000, 0.0000011700000000 ] - [ 0.0001293300000000, -0.0021093400000000, 0.0021548300000000 ] - [ 0.0005888300000000, 0.0010989900000000, -0.0016746400000000 ] - [ -0.0000021100000000, 0.0000007800000000, 0.0000001700000000 ] - [ 0.0000018500000000, -0.0000003700000000, 0.0000016900000000 ] - [ -0.0000000900000000, -0.0000012700000000, -0.0000027500000000 ] - [ 0.0000001300000000, 0.0000008700000000, 0.0000016000000000 ] - [ 0.0005790900000000, 0.0010996000000000, -0.0016759200000000 ] - [ 0.0001360200000000, -0.0021069700000000, 0.0021506100000000 ] - [ 0.0021220300000000, 0.0006295700000000, -0.0000013700000000 ] - [ -0.0024177200000000, -0.0001107500000000, -0.0004760000000000 ] - [ -0.3686177700000000, 0.0000013200000000, -0.0000593500000000 ] - [ 0.0412704700000000, -0.0052481700000000, 0.0003467400000000 ] - [ 0.0009065000000000, -0.0180553500000000, 0.0088831700000000 ] - [ 0.0099966600000000, 0.0233036700000000, -0.0092293000000000 ] - [ -0.0000635800000000, 0.0000124900000000, 0.0002984000000000 ] - [ 0.0000705200000000, 0.0000653900000000, -0.0002094500000000 ] - [ -0.0000617400000000, 0.0000002100000000, 0.0000063900000000 ] - [ 0.0000495500000000, -0.0000759700000000, -0.0000713300000000 ] - [ 0.0000509200000000, -0.0000777000000000, -0.0000826900000000 ] - [ -0.0000595600000000, -0.0000002200000000, -0.0000064000000000 ] - [ 0.0000709800000000, 0.0000642000000000, -0.0002214700000000 ] - [ -0.0000607300000000, 0.0000110300000000, 0.0002859400000000 ] - [ 0.0404526200000000, 0.0473181600000000, 0.0239017900000000 ] - [ 0.0408493800000000, -0.0183031300000000, -0.0227060400000000 ] - [ 0.0029773500000000, -0.0030614500000000, 0.0000906500000000 ] - [ -0.0164321700000000, 0.0141519400000000, -0.0006971100000000 ] - [ -0.0003936100000000, -0.0000881000000000, -0.0000831300000000 ] - [ 0.0004335100000000, 0.0000018400000000, 0.0001216000000000 ] - [ -0.0000413300000000, -0.0002192600000000, -0.0005370600000000 ] - [ 0.0000054100000000, 0.0003023500000000, 0.0001715600000000 ] - [ -0.0000586500000000, -0.0000169000000000, 0.0000655700000000 ] - [ 0.0000593700000000, 0.0000456900000000, 0.0000680800000000 ] - [ 0.0000078000000000, -0.0000529400000000, 0.0000783300000000 ] - [ 0.0000061000000000, 0.0000228200000000, 0.0000604300000000 ] - [ -0.0000017000000000, 0.0000229400000000, -0.0000755100000000 ] - [ 0.0000009000000000, -0.0000524300000000, -0.0000573900000000 ] - [ 0.0000520700000000, 0.0000458900000000, -0.0000673500000000 ] - [ -0.0000658300000000, -0.0000163100000000, -0.0000701100000000 ] - [ -0.0003891000000000, -0.0000869600000000, 0.0000824300000000 ] - [ 0.0004378000000000, 0.0000022300000000, 0.0002811200000000 ] - [ -0.0000363300000000, -0.0002180900000000, -0.0003736800000000 ] - [ 0.0000093600000000, 0.0003027600000000, 0.0003343900000000 ] - [ -0.0163091200000000, 0.0139696400000000, -0.0008152100000000 ] - [ 0.0029758100000000, -0.0029994700000000, -0.0000904700000000 ] - [ 0.0406739700000000, -0.0186061600000000, -0.0231042000000000 ] - [ 0.0402555500000000, 0.0472456900000000, 0.0234215100000000 ] - [ -0.0070391100000000, -0.0085675000000000, -0.0127039500000000 ] - [ -0.0056611000000000, 0.0020621800000000, 0.0065930900000000 ] - [ -0.0008112600000000, 0.0006859100000000, -0.0008881900000000 ] - [ 0.0029063000000000, -0.0044989300000000, 0.0035111700000000 ] - [ 0.0820293400000000, -0.0024091700000000, 0.0519820800000000 ] - [ -0.0157034300000000, -0.0008251200000000, 0.0004767000000000 ] - [ 0.0005385400000000, 0.0028989000000000, -0.0006760500000000 ] - [ -0.0021763300000000, -0.0074652500000000, 0.0002067800000000 ] - [ 0.0008440200000000, 0.0001002300000000, 0.0008843700000000 ] - [ -0.0008363000000000, 0.0000319400000000, 0.0007526100000000 ] - [ 0.0000776200000000, 0.0004005700000000, 0.0012267900000000 ] - [ -0.0000611900000000, -0.0005742500000000, 0.0006691900000000 ] - [ -0.0189498600000000, -0.0025636500000000, 0.0022117600000000 ] - [ 0.0329724900000000, -0.0315946000000000, -0.0273229200000000 ] - [ -0.0023806300000000, -0.0028670800000000, 0.0013145000000000 ] - [ 0.0075440800000000, 0.0012758000000000, -0.0043889000000000 ] - [ -0.0000903800000000, 0.0001971800000000, -0.0000528600000000 ] - [ 0.0002331000000000, 0.0001554800000000, 0.0000303100000000 ] - [ 0.0001630100000000, 0.0001529400000000, -0.0000471700000000 ] - [ -0.0000555400000000, 0.0002274400000000, 0.0001737500000000 ] - [ -0.0017780600000000, -0.0198158900000000, 0.0037789500000000 ] - [ -0.0058188100000000, 0.0096680900000000, -0.0025293900000000 ] - [ -0.0053635500000000, 0.0026603900000000, -0.0007209400000000 ] - [ 0.0317319500000000, 0.0227860000000000, -0.0220637500000000 ] - [ -0.0001695900000000, -0.0001215700000000, -0.0000704500000000 ] - [ -0.0001847200000000, -0.0000716800000000, 0.0001780100000000 ] - [ -0.0002445100000000, 0.0000455400000000, -0.0000180500000000 ] - [ -0.0001495900000000, -0.0000229400000000, 0.0000288300000000 ] - [ 0.0002763600000000, -0.0000297500000000, 0.0000280100000000 ] - [ -0.0000273600000000, -0.0002765600000000, -0.0000181800000000 ] - [ 0.0002547000000000, 0.0000241200000000, 0.0001506600000000 ] - [ 0.0000172700000000, -0.0002842700000000, -0.0000399200000000 ] - [ 0.0000115500000000, 0.0000028400000000, -0.0008677200000000 ] - [ -0.0000109400000000, -0.0000078100000000, -0.0008690500000000 ] - [ -0.0000001700000000, 0.0000096400000000, -0.0008695200000000 ] - [ -0.0000002900000000, -0.0000040000000000, -0.0008698800000000 ] - [ -0.0000955800000000, 0.0001508900000000, -0.0000024500000000 ] - [ -0.0001723800000000, 0.0001142600000000, -0.0000679600000000 ] - [ -0.0001152900000000, 0.0001689600000000, -0.0000097800000000 ] - [ -0.0001471000000000, 0.0001321800000000, -0.0000447400000000 ] - [ -0.0000003400000000, -0.0000042300000000, 0.0008678400000000 ] - [ -0.0000003700000000, 0.0000093800000000, 0.0008680700000000 ] - [ -0.0000110500000000, -0.0000080000000000, 0.0008681600000000 ] - [ 0.0000114100000000, 0.0000025500000000, 0.0008699600000000 ] - [ -0.0000205400000000, -0.0001899100000000, -0.0000564400000000 ] - [ -0.0000984400000000, -0.0001905200000000, -0.0000040900000000 ] - [ -0.0000635400000000, -0.0001593900000000, -0.0000240300000000 ] - [ -0.0000558900000000, -0.0001974500000000, -0.0000341600000000 ] - [ 0.0000635200000000, 0.0001712600000000, 0.0000248900000000 ] - [ 0.0000555300000000, 0.0002092700000000, 0.0000354200000000 ] - [ 0.0000209200000000, 0.0001782600000000, 0.0000553100000000 ] - [ 0.0000987000000000, 0.0001786700000000, 0.0000027100000000 ] - [ 0.0002079100000000, 0.0000420100000000, -0.0000236000000000 ] - [ 0.0001663800000000, 0.0000255000000000, -0.0000202200000000 ] - [ 0.0001885800000000, 0.0000699400000000, -0.0000554400000000 ] - [ 0.0001867200000000, 0.0000351400000000, -0.0000257600000000 ] - [ -0.0001876200000000, -0.0000510600000000, 0.0000363000000000 ] - [ -0.0001866400000000, -0.0000161400000000, 0.0000067900000000 ] - [ -0.0002084900000000, -0.0000603300000000, 0.0000419300000000 ] - [ -0.0001671400000000, -0.0000440400000000, 0.0000386100000000 ] - [ 0.0001182100000000, -0.0001505300000000, 0.0000179700000000 ] - [ 0.0001498400000000, -0.0001145100000000, 0.0000528200000000 ] - [ 0.0000930000000000, -0.0001689600000000, -0.0000049500000000 ] - [ 0.0001696800000000, -0.0001327100000000, 0.0000602300000000 ] - [ 0.0008434600000000, 0.0000998600000000, -0.0008835500000000 ] - [ -0.0008350500000000, 0.0000329500000000, -0.0010105000000000 ] - [ 0.0000766300000000, 0.0004005500000000, -0.0005395300000000 ] - [ -0.0000598000000000, -0.0005737800000000, -0.0010963000000000 ] - [ -0.0002444200000000, 0.0000007400000000, -0.0000986900000000 ] - [ -0.0000081600000000, 0.0003084700000000, 0.0000916200000000 ] - [ -0.0002882900000000, 0.0000086100000000, -0.0000758000000000 ] - [ 0.0000133400000000, 0.0002544100000000, -0.0000318200000000 ] - [ 0.0028805800000000, -0.0044586000000000, 0.0052316300000000 ] - [ -0.0008116200000000, 0.0006745500000000, 0.0008878400000000 ] - [ -0.0055931600000000, 0.0020836800000000, 0.0083266200000000 ] - [ -0.0070423200000000, -0.0085963700000000, -0.0109577700000000 ] - [ -0.0001770400000000, -0.0001380400000000, 0.0001186800000000 ] - [ 0.0000418400000000, -0.0002130400000000, -0.0001023400000000 ] - [ 0.0001126000000000, -0.0002104800000000, -0.0000255400000000 ] - [ -0.0002126900000000, -0.0001683500000000, -0.0001067300000000 ] - [ 0.0076054000000000, 0.0016316900000000, -0.0043135500000000 ] - [ -0.0022501800000000, -0.0025268700000000, 0.0013627100000000 ] - [ 0.0336494600000000, -0.0325002200000000, -0.0284799800000000 ] - [ -0.0188549500000000, -0.0022001000000000, 0.0022972400000000 ] - [ 0.0002251300000000, 0.0000592200000000, -0.0000296800000000 ] - [ 0.0001304200000000, 0.0001263400000000, -0.0000745400000000 ] - [ 0.0001902100000000, 0.0000099800000000, 0.0001203100000000 ] - [ 0.0002048900000000, -0.0000397200000000, -0.0001278100000000 ] - [ 0.0311195500000000, 0.0230212900000000, -0.0222643900000000 ] - [ -0.0057176600000000, 0.0025439500000000, -0.0006517700000000 ] - [ -0.0061359700000000, 0.0095966000000000, -0.0024651500000000 ] - [ -0.0021361800000000, -0.0197967600000000, 0.0038336900000000 ] - [ -0.0018941800000000, -0.0076711200000000, 0.0002785800000000 ] - [ 0.0007840900000000, 0.0025921600000000, -0.0006282600000000 ] - [ -0.0155029800000000, -0.0010169800000000, 0.0006133900000000 ] - [ 0.0779377700000000, -0.0034515000000000, 0.0482065600000000 ]- atom: 13 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000967400000000, 0.0022058500000000, 0.0021011200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011098300000000 ] - [ 0.0018619500000000, -0.0011867000000000, 0.0021011200000000 ] - [ -0.0019586900000000, -0.0010191400000000, 0.0021011200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016004800000000 ] - [ -0.0000011900000000, 0.0000034300000000, 0.0015907200000000 ] - [ -0.0000023700000000, -0.0000027500000000, 0.0015907200000000 ] - [ 0.0000035600000000, -0.0000006800000000, 0.0015907200000000 ] - [ -0.0019476300000000, -0.0010120600000000, 0.0020995400000000 ] - [ 0.0018502900000000, -0.0011806700000000, 0.0020995400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011141400000000 ] - [ 0.0000973400000000, 0.0021927300000000, 0.0020995400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.3921424700000000 ] - [ 0.0003462500000000, -0.0104570200000000, -0.0344022200000000 ] - [ 0.0088829200000000, 0.0055283700000000, -0.0344022200000000 ] - [ -0.0092291700000000, 0.0049286500000000, -0.0344022200000000 ] - [ 0.0002937100000000, 0.0000803000000000, 0.0038125400000000 ] - [ -0.0002163900000000, 0.0002142100000000, 0.0038125400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0034941700000000 ] - [ -0.0000773100000000, -0.0002945100000000, 0.0038125400000000 ] - [ -0.0000765400000000, -0.0002917700000000, 0.0038000200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0034838700000000 ] - [ -0.0002144100000000, 0.0002121700000000, 0.0038000200000000 ] - [ 0.0002909500000000, 0.0000796000000000, 0.0038000200000000 ] - [ 0.0297568000000000, 0.0344740100000000, 0.0109685400000000 ] - [ -0.0447337700000000, 0.0085331400000000, 0.0109685400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0042896800000000 ] - [ 0.0149769700000000, -0.0430071500000000, 0.0109685400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0044454000000000 ] - [ 0.0000505400000000, -0.0001381100000000, 0.0028438100000000 ] - [ 0.0000943400000000, 0.0001128200000000, 0.0028438100000000 ] - [ -0.0001448700000000, 0.0000252900000000, 0.0028438100000000 ] - [ -0.0000331000000000, 0.0000895400000000, 0.0034055200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0033825000000000 ] - [ 0.0000940900000000, -0.0000161100000000, 0.0034055200000000 ] - [ -0.0000609900000000, -0.0000734300000000, 0.0034055200000000 ] - [ -0.0000606000000000, -0.0000728700000000, 0.0032678900000000 ] - [ 0.0000934000000000, -0.0000160400000000, 0.0032678900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0032453200000000 ] - [ -0.0000328100000000, 0.0000889100000000, 0.0032678900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0045981300000000 ] - [ 0.0000501600000000, -0.0001376000000000, 0.0030124400000000 ] - [ 0.0000940800000000, 0.0001122400000000, 0.0030124400000000 ] - [ -0.0001442500000000, 0.0000253600000000, 0.0030124400000000 ] - [ 0.0150797200000000, -0.0428844100000000, 0.0108451000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0044224400000000 ] - [ -0.0446788500000000, 0.0083827900000000, 0.0108451000000000 ] - [ 0.0295991300000000, 0.0345016200000000, 0.0108451000000000 ] - [ -0.0048869000000000, -0.0045710200000000, -0.0042256400000000 ] - [ 0.0064020700000000, -0.0019466700000000, -0.0042256400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0018363800000000 ] - [ -0.0015151700000000, 0.0065176900000000, -0.0042256400000000 ] - [ 0.0535422900000000, -0.0009067300000000, 0.0536701500000000 ] - [ 0.0138872900000000, 0.0081416000000000, 0.0099746600000000 ] - [ 0.0003983400000000, 0.0000094100000000, 0.0049927400000000 ] - [ 0.0052419900000000, 0.0135077600000000, 0.0062293400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0022249900000000 ] - [ -0.0000118600000000, 0.0002102600000000, -0.0008597700000000 ] - [ -0.0001761600000000, -0.0001154000000000, -0.0008597700000000 ] - [ 0.0001880200000000, -0.0000948600000000, -0.0008597700000000 ] - [ -0.0143190500000000, -0.0022141900000000, 0.0062293400000000 ] - [ -0.0259859000000000, 0.0468223500000000, 0.0536701500000000 ] - [ -0.0002073200000000, 0.0003402700000000, 0.0049927400000000 ] - [ -0.0139944700000000, 0.0079559400000000, 0.0099746600000000 ] - [ 0.0005820900000000, -0.0000649700000000, -0.0011757200000000 ] - [ 0.0011226400000000, -0.0002239100000000, -0.0016603400000000 ] - [ 0.0007709200000000, -0.0001201500000000, -0.0011660900000000 ] - [ 0.0006347800000000, -0.0000309200000000, -0.0011557100000000 ] - [ 0.0001071900000000, -0.0160975400000000, 0.0099746600000000 ] - [ 0.0090770700000000, -0.0112935700000000, 0.0062293400000000 ] - [ -0.0001910200000000, -0.0003496800000000, 0.0049927400000000 ] - [ -0.0275563900000000, -0.0459156200000000, 0.0536701500000000 ] - [ -0.0002906200000000, 0.0005651900000000, -0.0011557100000000 ] - [ -0.0002347700000000, 0.0005365900000000, -0.0011757200000000 ] - [ -0.0002814100000000, 0.0007277100000000, -0.0011660900000000 ] - [ -0.0003674100000000, 0.0010841900000000, -0.0016603400000000 ] - [ -0.0007552300000000, -0.0008602800000000, -0.0016603400000000 ] - [ -0.0003441600000000, -0.0005342800000000, -0.0011557100000000 ] - [ -0.0004895100000000, -0.0006075600000000, -0.0011660900000000 ] - [ -0.0003473100000000, -0.0004716100000000, -0.0011757200000000 ] - [ 0.0000035200000000, -0.0000159000000000, -0.0029305500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0029137600000000 ] - [ -0.0000155300000000, 0.0000049000000000, -0.0029305500000000 ] - [ 0.0000120100000000, 0.0000110000000000, -0.0029305500000000 ] - [ -0.0007459300000000, -0.0003862400000000, -0.0013805700000000 ] - [ -0.0007312500000000, -0.0003282700000000, -0.0013203100000000 ] - [ -0.0007801800000000, -0.0003012800000000, -0.0013738700000000 ] - [ -0.0006911400000000, -0.0002933900000000, -0.0012978700000000 ] - [ 0.0000118800000000, 0.0000109000000000, -0.0011901600000000 ] - [ -0.0000153800000000, 0.0000048400000000, -0.0011901600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011736800000000 ] - [ 0.0000034900000000, -0.0000157400000000, -0.0011901600000000 ] - [ 0.0006510000000000, -0.0005250100000000, -0.0013738700000000 ] - [ 0.0006499100000000, -0.0004691400000000, -0.0013203100000000 ] - [ 0.0005996500000000, -0.0004518500000000, -0.0012978700000000 ] - [ 0.0007074600000000, -0.0004528800000000, -0.0013805700000000 ] - [ 0.0008225300000000, -0.0000847800000000, -0.0013199900000000 ] - [ 0.0007154500000000, -0.0000839700000000, -0.0012380400000000 ] - [ 0.0007655100000000, -0.0001009800000000, -0.0012602100000000 ] - [ 0.0007664700000000, -0.0001565000000000, -0.0013134500000000 ] - [ 0.0000914800000000, 0.0007452400000000, -0.0012978700000000 ] - [ 0.0000813300000000, 0.0007974100000000, -0.0013203100000000 ] - [ 0.0000384700000000, 0.0008391200000000, -0.0013805700000000 ] - [ 0.0001291700000000, 0.0008262900000000, -0.0013738700000000 ] - [ -0.0002477100000000, 0.0007420300000000, -0.0013134500000000 ] - [ -0.0003378400000000, 0.0007547200000000, -0.0013199900000000 ] - [ -0.0002953100000000, 0.0007134400000000, -0.0012602100000000 ] - [ -0.0002850100000000, 0.0006615800000000, -0.0012380400000000 ] - [ -0.0004304400000000, -0.0005776100000000, -0.0012380400000000 ] - [ -0.0005187700000000, -0.0005855400000000, -0.0013134500000000 ] - [ -0.0004702000000000, -0.0006124700000000, -0.0012602100000000 ] - [ -0.0004846900000000, -0.0006699400000000, -0.0013199900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0039810100000000 ] - [ -0.0000116500000000, 0.0002102000000000, -0.0026315100000000 ] - [ -0.0001762100000000, -0.0001151900000000, -0.0026315100000000 ] - [ 0.0001878700000000, -0.0000950100000000, -0.0026315100000000 ] - [ -0.0006058500000000, -0.0001875000000000, -0.0012325800000000 ] - [ -0.0007473300000000, -0.0003223400000000, -0.0012232400000000 ] - [ -0.0006025800000000, -0.0002497100000000, -0.0012126800000000 ] - [ -0.0010100500000000, -0.0005724400000000, -0.0017126800000000 ] - [ -0.0015364000000000, 0.0065040600000000, -0.0025128000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0035880000000000 ] - [ 0.0064008800000000, -0.0019214700000000, -0.0025128000000000 ] - [ -0.0048644800000000, -0.0045825900000000, -0.0025128000000000 ] - [ 0.0005175500000000, -0.0003969900000000, -0.0012126800000000 ] - [ 0.0006528200000000, -0.0004860300000000, -0.0012232400000000 ] - [ 0.0010007800000000, -0.0005885100000000, -0.0017126800000000 ] - [ 0.0004653100000000, -0.0004309300000000, -0.0012325800000000 ] - [ -0.0138521100000000, 0.0082843500000000, 0.0100033400000000 ] - [ -0.0000767100000000, 0.0006933400000000, 0.0050292200000000 ] - [ -0.0241892400000000, 0.0450606600000000, 0.0522919600000000 ] - [ -0.0142250400000000, -0.0018827900000000, 0.0062739600000000 ] - [ 0.0000092800000000, 0.0011609500000000, -0.0017126800000000 ] - [ 0.0000945100000000, 0.0008083800000000, -0.0012232400000000 ] - [ 0.0001405500000000, 0.0006184300000000, -0.0012325800000000 ] - [ 0.0000850300000000, 0.0006467100000000, -0.0012126800000000 ] - [ -0.0269290600000000, -0.0434788200000000, 0.0522919600000000 ] - [ -0.0005621000000000, -0.0004131000000000, 0.0050292200000000 ] - [ 0.0087430700000000, -0.0113778500000000, 0.0062739600000000 ] - [ -0.0002484000000000, -0.0161384600000000, 0.0100033400000000 ] - [ 0.0054819700000000, 0.0132606400000000, 0.0062739600000000 ] - [ 0.0006388000000000, -0.0002802400000000, 0.0050292200000000 ] - [ 0.0141005100000000, 0.0078541100000000, 0.0100033400000000 ] - [ 0.0511183000000000, -0.0015818400000000, 0.0522919600000000 ]- atom: 25 displacement: [ 0.0100000000000000, 0.0000000002713277, 0.0000000000000000 ] forces: - [ 0.0019751400000000, -0.0017205700000000, -0.0037500600000000 ] - [ 0.0013829300000000, 0.0028017400000000, 0.0044378100000000 ] - [ -0.0022361100000000, -0.0000057200000000, -0.0006560400000000 ] - [ 0.0011203600000000, -0.0005161200000000, -0.0000025600000000 ] - [ -0.0000003200000000, 0.0000017500000000, -0.0000012100000000 ] - [ 0.0000001900000000, -0.0000018600000000, 0.0000051200000000 ] - [ 0.0000031800000000, 0.0000007200000000, 0.0000019300000000 ] - [ -0.0000031500000000, -0.0000005400000000, 0.0000018700000000 ] - [ -0.0008546000000000, 0.0002984700000000, 0.0000020900000000 ] - [ 0.0008389800000000, 0.0000893800000000, -0.0001967100000000 ] - [ 0.0001705300000000, -0.0006402100000000, 0.0001581300000000 ] - [ -0.0001269300000000, 0.0003042300000000, 0.0000448200000000 ] - [ 0.0403561400000000, 0.0185590400000000, 0.0295391100000000 ] - [ 0.0409694800000000, -0.0471649600000000, -0.0449204700000000 ] - [ 0.0029742200000000, 0.0030546300000000, -0.0000300600000000 ] - [ -0.0164120400000000, -0.0145142600000000, 0.0150080600000000 ] - [ -0.0003922800000000, 0.0000883500000000, 0.0000107700000000 ] - [ 0.0004341100000000, -0.0000543700000000, 0.0000609700000000 ] - [ -0.0000416200000000, -0.0002760800000000, 0.0001039500000000 ] - [ 0.0000048900000000, 0.0002459200000000, -0.0001350600000000 ] - [ 0.0000052500000000, -0.0000226700000000, 0.0000916000000000 ] - [ 0.0000032300000000, 0.0000537900000000, -0.0000625300000000 ] - [ -0.0000620900000000, 0.0000137600000000, -0.0000349600000000 ] - [ 0.0000573500000000, -0.0000464500000000, -0.0000020400000000 ] - [ -0.4952104600000000, 0.0020611400000000, 0.0066823900000000 ] - [ 0.0258175300000000, 0.0077390900000000, -0.0001993800000000 ] - [ 0.0134848800000000, -0.0149335900000000, 0.0016655900000000 ] - [ 0.0000005500000000, 0.0071843400000000, -0.0012465200000000 ] - [ 0.0000627900000000, -0.0000155900000000, -0.0011574500000000 ] - [ -0.0001158300000000, -0.0000902200000000, 0.0011311200000000 ] - [ 0.0001095600000000, 0.0000007500000000, -0.0000780100000000 ] - [ -0.0000914500000000, 0.0001036600000000, -0.0002014100000000 ] - [ 0.0000233600000000, -0.0000413000000000, 0.0000429000000000 ] - [ -0.0000280200000000, 0.0000608700000000, 0.0001000600000000 ] - [ -0.0000906400000000, -0.0000352900000000, 0.0000681400000000 ] - [ 0.0001106300000000, 0.0000135400000000, 0.0000703700000000 ] - [ -0.0000336600000000, 0.0000002500000000, -0.0000627200000000 ] - [ 0.0000229700000000, 0.0000130400000000, -0.0000633900000000 ] - [ 0.0000091500000000, -0.0000205800000000, -0.0000630700000000 ] - [ -0.0000131600000000, 0.0000081400000000, -0.0000609400000000 ] - [ -0.0000292800000000, 0.0000715100000000, 0.0002571100000000 ] - [ 0.0000222600000000, -0.0000307200000000, -0.0001738600000000 ] - [ 0.0001087200000000, -0.0000134300000000, 0.0000832600000000 ] - [ -0.0000921800000000, -0.0000244000000000, 0.0001675200000000 ] - [ 0.0085559000000000, -0.0043446400000000, 0.0038703000000000 ] - [ -0.0080817900000000, 0.0139447900000000, -0.0071921000000000 ] - [ -0.0157086900000000, -0.0096073400000000, 0.0030968200000000 ] - [ 0.0063178100000000, -0.0000073000000000, -0.0000751900000000 ] - [ 0.0526446200000000, -0.0013952000000000, -0.0023333200000000 ] - [ -0.0053544500000000, -0.0009297600000000, -0.0009950500000000 ] - [ -0.0019926300000000, 0.0032952700000000, -0.0018355200000000 ] - [ -0.0000065300000000, -0.0017364300000000, 0.0002175400000000 ] - [ 0.0947046700000000, 0.0815979400000000, 0.0420014800000000 ] - [ -0.0172255300000000, -0.0035214400000000, -0.0035576600000000 ] - [ -0.0013308600000000, 0.0046409900000000, 0.0000428600000000 ] - [ 0.0061418200000000, 0.0005117200000000, 0.0015051900000000 ] - [ -0.0000520200000000, -0.0000195200000000, 0.0017582300000000 ] - [ 0.0001509200000000, 0.0002388700000000, -0.0001407800000000 ] - [ -0.0002712300000000, -0.0001401600000000, 0.0008799200000000 ] - [ 0.0002732000000000, -0.0000702400000000, 0.0010165800000000 ] - [ 0.2177137800000000, -0.0066124700000000, -0.0704627700000000 ] - [ -0.0175813800000000, 0.0008568400000000, 0.0025941900000000 ] - [ -0.0083445800000000, 0.0083389600000000, 0.0030576600000000 ] - [ 0.0027932900000000, -0.0033945600000000, -0.0013404500000000 ] - [ 0.0004747000000000, 0.0000776000000000, -0.0003219200000000 ] - [ -0.0003232800000000, 0.0002865200000000, 0.0003443300000000 ] - [ 0.0000366600000000, 0.0002591600000000, 0.0000928900000000 ] - [ 0.0000584000000000, 0.0001004500000000, -0.0000050100000000 ] - [ 0.0759934300000000, -0.0596160400000000, 0.0235328500000000 ] - [ -0.0056773600000000, -0.0028315500000000, 0.0012328700000000 ] - [ -0.0049524100000000, 0.0213280400000000, -0.0040991000000000 ] - [ -0.0020109800000000, -0.0053118400000000, 0.0005108900000000 ] - [ -0.0000822400000000, -0.0001346200000000, 0.0000425300000000 ] - [ -0.0002753600000000, -0.0000381500000000, 0.0000678000000000 ] - [ -0.0002718600000000, 0.0003230300000000, -0.0003556000000000 ] - [ -0.0001338700000000, -0.0003075300000000, 0.0003606200000000 ] - [ 0.0004000300000000, 0.0000240200000000, 0.0003608500000000 ] - [ -0.0001531200000000, -0.0003072500000000, -0.0003719900000000 ] - [ 0.0001593500000000, -0.0001092000000000, 0.0000204300000000 ] - [ 0.0001203400000000, -0.0001706500000000, 0.0000926900000000 ] - [ -0.0000018500000000, 0.0000079800000000, -0.0008544900000000 ] - [ 0.0000035800000000, -0.0000115400000000, -0.0008831000000000 ] - [ 0.0000177200000000, 0.0000030100000000, -0.0008697900000000 ] - [ -0.0000198000000000, 0.0000014400000000, -0.0008689800000000 ] - [ -0.0001315500000000, 0.0001719400000000, 0.0000059800000000 ] - [ -0.0001342500000000, 0.0001004700000000, -0.0000751800000000 ] - [ -0.0000829100000000, 0.0001381700000000, 0.0000115100000000 ] - [ -0.0001847800000000, 0.0001538300000000, -0.0000741500000000 ] - [ 0.0000066000000000, -0.0000006800000000, 0.0008642400000000 ] - [ -0.0000064600000000, -0.0000020400000000, 0.0008647400000000 ] - [ -0.0000021400000000, 0.0000046400000000, 0.0008652900000000 ] - [ 0.0000014900000000, -0.0000024200000000, 0.0008621100000000 ] - [ -0.0000534700000000, -0.0001544500000000, 0.0000071500000000 ] - [ -0.0000623100000000, -0.0002254700000000, -0.0000753800000000 ] - [ 0.0000102600000000, -0.0001825100000000, -0.0000846200000000 ] - [ -0.0001319800000000, -0.0001779400000000, 0.0000289100000000 ] - [ 0.0000784600000000, 0.0001789700000000, 0.0000131800000000 ] - [ 0.0000421400000000, 0.0001845600000000, 0.0000427300000000 ] - [ 0.0000545500000000, 0.0001964400000000, 0.0000390600000000 ] - [ 0.0000660600000000, 0.0001778100000000, 0.0000188000000000 ] - [ 0.0001793100000000, 0.0000690200000000, -0.0000332700000000 ] - [ 0.0001986900000000, 0.0000024700000000, -0.0000184300000000 ] - [ 0.0002515900000000, 0.0000341700000000, -0.0000293800000000 ] - [ 0.0001202100000000, 0.0000731800000000, -0.0000518300000000 ] - [ -0.0001742800000000, -0.0000494700000000, 0.0000359600000000 ] - [ -0.0002013000000000, -0.0000436900000000, 0.0000317100000000 ] - [ -0.0001927500000000, -0.0000286000000000, 0.0000200300000000 ] - [ -0.0001832100000000, -0.0000474800000000, 0.0000314200000000 ] - [ 0.0001465600000000, -0.0001443000000000, 0.0000389500000000 ] - [ 0.0001166900000000, -0.0001483400000000, 0.0000178200000000 ] - [ 0.0001329700000000, -0.0001300600000000, 0.0000378000000000 ] - [ 0.0001324100000000, -0.0001470800000000, 0.0000256000000000 ] - [ 0.0000293500000000, -0.0001441600000000, -0.0010311700000000 ] - [ -0.0000237400000000, 0.0000755100000000, -0.0006741800000000 ] - [ -0.0001859700000000, 0.0000728500000000, -0.0008825700000000 ] - [ 0.0001929600000000, 0.0000118000000000, -0.0009433000000000 ] - [ -0.0001108400000000, 0.0001602800000000, -0.0000604200000000 ] - [ -0.0001579600000000, 0.0001152400000000, -0.0000252700000000 ] - [ -0.0000766500000000, 0.0001960000000000, 0.0000514400000000 ] - [ -0.0001808300000000, 0.0000979500000000, -0.0000886800000000 ] - [ -0.0014666200000000, 0.0010492000000000, -0.0017116200000000 ] - [ 0.0020307200000000, -0.0022473000000000, 0.0022820400000000 ] - [ 0.0031565500000000, 0.0024280500000000, 0.0020472100000000 ] - [ -0.0011655700000000, 0.0000427400000000, 0.0008803400000000 ] - [ -0.0001182300000000, -0.0001679800000000, -0.0000347800000000 ] - [ 0.0000081500000000, -0.0002055300000000, -0.0000553100000000 ] - [ 0.0000191100000000, -0.0002084500000000, -0.0000791800000000 ] - [ -0.0001481600000000, -0.0001541400000000, 0.0000513600000000 ] - [ -0.0050010700000000, 0.0018971300000000, 0.0014835500000000 ] - [ 0.0115088800000000, -0.0066200000000000, -0.0027247900000000 ] - [ 0.0060183500000000, -0.0043653500000000, -0.0076819400000000 ] - [ -0.0040073300000000, 0.0023053600000000, 0.0019625100000000 ] - [ 0.0001831700000000, 0.0000470700000000, -0.0000867200000000 ] - [ 0.0002005200000000, -0.0000116700000000, 0.0000489300000000 ] - [ 0.0001823000000000, 0.0000642000000000, -0.0000304700000000 ] - [ 0.0001825800000000, 0.0000688300000000, -0.0000532500000000 ] - [ -0.0046592200000000, 0.0052576800000000, -0.0074687400000000 ] - [ -0.0040700100000000, -0.0093208400000000, 0.0116748100000000 ] - [ 0.0011253200000000, 0.0026566400000000, -0.0008913600000000 ] - [ -0.0007124400000000, 0.0002011300000000, -0.0004282500000000 ] - [ -0.0030537400000000, 0.0014631600000000, -0.0040369900000000 ] - [ -0.0008844900000000, -0.0034376900000000, -0.0004902700000000 ] - [ 0.0140309100000000, 0.0128827400000000, 0.0102365500000000 ] - [ -0.0037855800000000, -0.0020299000000000, -0.0014331300000000 ]- atom: 25 displacement: [ -0.0100000000000000, -0.0000000002713277, 0.0000000000000000 ] forces: - [ -0.0019915900000000, 0.0017514100000000, 0.0037833400000000 ] - [ -0.0013643700000000, -0.0027639700000000, -0.0043941000000000 ] - [ 0.0022335700000000, 0.0000036000000000, 0.0006425000000000 ] - [ -0.0011193400000000, 0.0005080700000000, -0.0000025300000000 ] - [ 0.0000003300000000, -0.0000017000000000, 0.0000050500000000 ] - [ -0.0000002200000000, 0.0000018500000000, -0.0000012600000000 ] - [ -0.0000031700000000, -0.0000007500000000, 0.0000019200000000 ] - [ 0.0000031800000000, 0.0000005000000000, 0.0000019800000000 ] - [ 0.0008536900000000, -0.0002979000000000, 0.0000020500000000 ] - [ -0.0008389300000000, -0.0000891800000000, 0.0002006300000000 ] - [ -0.0001698700000000, 0.0006390500000000, -0.0001537400000000 ] - [ 0.0001264400000000, -0.0003037100000000, -0.0000407300000000 ] - [ -0.0403515800000000, -0.0188197500000000, -0.0298173000000000 ] - [ -0.0405537600000000, 0.0469289000000000, 0.0444932700000000 ] - [ -0.0029786300000000, -0.0030063200000000, -0.0000299100000000 ] - [ 0.0163291800000000, 0.0145493700000000, -0.0150481900000000 ] - [ 0.0003906400000000, -0.0000866100000000, 0.0000107300000000 ] - [ -0.0004344100000000, 0.0000562700000000, -0.0000395600000000 ] - [ 0.0000387200000000, 0.0002758700000000, -0.0000845800000000 ] - [ -0.0000070100000000, -0.0002445700000000, 0.0001539000000000 ] - [ -0.0000034500000000, 0.0000214000000000, -0.0000955100000000 ] - [ -0.0000014400000000, -0.0000548100000000, 0.0000587200000000 ] - [ 0.0000634600000000, -0.0000149700000000, 0.0000308900000000 ] - [ -0.0000553900000000, 0.0000452300000000, -0.0000020500000000 ] - [ 0.4812186600000000, 0.0020598700000000, 0.0065454300000000 ] - [ -0.0258961200000000, -0.0077869900000000, 0.0003472700000000 ] - [ -0.0133967300000000, 0.0149285800000000, -0.0015195900000000 ] - [ 0.0000110300000000, -0.0071526700000000, 0.0013911700000000 ] - [ -0.0000665900000000, 0.0000123200000000, 0.0010067200000000 ] - [ 0.0001106000000000, 0.0000873000000000, -0.0012779900000000 ] - [ -0.0001135800000000, 0.0000008200000000, -0.0000775400000000 ] - [ 0.0000866400000000, -0.0001018200000000, 0.0000449600000000 ] - [ -0.0000166400000000, 0.0000414600000000, 0.0000975100000000 ] - [ 0.0000351100000000, -0.0000610600000000, 0.0000401600000000 ] - [ 0.0000982000000000, 0.0000344800000000, 0.0000718600000000 ] - [ -0.0001026600000000, -0.0000139000000000, 0.0000698600000000 ] - [ 0.0000261900000000, 0.0000001900000000, -0.0000622700000000 ] - [ -0.0000298900000000, -0.0000127300000000, -0.0000613800000000 ] - [ -0.0000163900000000, 0.0000208400000000, -0.0000611000000000 ] - [ 0.0000057500000000, -0.0000076400000000, -0.0000634100000000 ] - [ 0.0000337400000000, -0.0000706800000000, -0.0000906300000000 ] - [ -0.0000176600000000, 0.0000317000000000, 0.0003405200000000 ] - [ -0.0001044100000000, 0.0000139700000000, 0.0000827400000000 ] - [ 0.0000966100000000, 0.0000249200000000, -0.0000008100000000 ] - [ -0.0085108400000000, 0.0043924400000000, -0.0040362200000000 ] - [ 0.0081117500000000, -0.0139949800000000, 0.0070295700000000 ] - [ 0.0156178700000000, 0.0095953500000000, -0.0032172600000000 ] - [ -0.0063274700000000, -0.0000076800000000, -0.0000747800000000 ] - [ -0.0525610000000000, 0.0012865400000000, -0.0023317300000000 ] - [ 0.0053569800000000, 0.0009391000000000, -0.0007488300000000 ] - [ 0.0019846200000000, -0.0032991500000000, 0.0000974500000000 ] - [ 0.0000082500000000, 0.0017325800000000, -0.0019613100000000 ] - [ -0.0964303100000000, -0.0851878000000000, -0.0439382700000000 ] - [ 0.0171211300000000, 0.0038420400000000, 0.0036006600000000 ] - [ 0.0010684200000000, -0.0043807900000000, -0.0000936300000000 ] - [ -0.0063324900000000, -0.0002455500000000, -0.0015237200000000 ] - [ 0.0000516000000000, 0.0000242500000000, -0.0000035900000000 ] - [ -0.0001510000000000, -0.0002335900000000, 0.0018920700000000 ] - [ 0.0002704200000000, 0.0001351700000000, 0.0008798000000000 ] - [ -0.0002730100000000, 0.0000666700000000, 0.0007449200000000 ] - [ -0.2029861600000000, 0.0048150800000000, 0.0635278700000000 ] - [ 0.0175198300000000, -0.0011647400000000, -0.0025901900000000 ] - [ 0.0081496000000000, -0.0086127800000000, -0.0030612100000000 ] - [ -0.0029099400000000, 0.0030158200000000, 0.0012916000000000 ] - [ -0.0003505700000000, 0.0002884300000000, 0.0003730800000000 ] - [ 0.0004460100000000, 0.0000793300000000, -0.0002922000000000 ] - [ 0.0000851800000000, 0.0001065200000000, -0.0000391700000000 ] - [ 0.0000638600000000, 0.0002648500000000, 0.0000579700000000 ] - [ -0.0754989000000000, 0.0612742700000000, -0.0243840500000000 ] - [ 0.0060351900000000, 0.0028801200000000, -0.0012627700000000 ] - [ 0.0052653100000000, -0.0212615700000000, 0.0041140200000000 ] - [ 0.0023510800000000, 0.0053546900000000, -0.0005286900000000 ] - [ -0.0002923000000000, 0.0000518200000000, 0.0000135400000000 ] - [ -0.0000998900000000, -0.0000438400000000, -0.0000118400000000 ] - [ -0.0001040600000000, -0.0004006300000000, 0.0004084900000000 ] - [ -0.0002427300000000, 0.0002289500000000, -0.0003059000000000 ] - [ -0.0001386200000000, -0.0003097600000000, -0.0003051400000000 ] - [ 0.0004135800000000, 0.0000213600000000, 0.0004265800000000 ] - [ 0.0001026200000000, -0.0001767600000000, 0.0000370900000000 ] - [ 0.0001417300000000, -0.0001147000000000, -0.0000348300000000 ] - [ 0.0000020500000000, -0.0000077600000000, -0.0008838700000000 ] - [ -0.0000034400000000, 0.0000116500000000, -0.0008548600000000 ] - [ -0.0000175500000000, -0.0000027100000000, -0.0008680800000000 ] - [ 0.0000198400000000, -0.0000011800000000, -0.0008688000000000 ] - [ -0.0001358300000000, 0.0001103200000000, -0.0000721300000000 ] - [ -0.0001330000000000, 0.0001818900000000, 0.0000088400000000 ] - [ -0.0001844500000000, 0.0001444700000000, -0.0000776000000000 ] - [ -0.0000826200000000, 0.0001278600000000, 0.0000081500000000 ] - [ -0.0000066500000000, 0.0000004100000000, 0.0008641200000000 ] - [ 0.0000063300000000, 0.0000017800000000, 0.0008634700000000 ] - [ 0.0000019900000000, -0.0000048800000000, 0.0008622100000000 ] - [ -0.0000016200000000, 0.0000022100000000, 0.0008658400000000 ] - [ -0.0000635700000000, -0.0002154700000000, -0.0000697400000000 ] - [ -0.0000552000000000, -0.0001447800000000, 0.0000125000000000 ] - [ -0.0001279900000000, -0.0001875700000000, 0.0000218200000000 ] - [ 0.0000143500000000, -0.0001917800000000, -0.0000912400000000 ] - [ 0.0000421500000000, 0.0001898200000000, 0.0000434700000000 ] - [ 0.0000782600000000, 0.0001839200000000, 0.0000139000000000 ] - [ 0.0000663300000000, 0.0001723000000000, 0.0000177500000000 ] - [ 0.0000550300000000, 0.0001911700000000, 0.0000379500000000 ] - [ 0.0001962100000000, 0.0000187200000000, -0.0000319800000000 ] - [ 0.0001762000000000, 0.0000853500000000, -0.0000467200000000 ] - [ 0.0001236000000000, 0.0000544400000000, -0.0000365000000000 ] - [ 0.0002546200000000, 0.0000153600000000, -0.0000139100000000 ] - [ -0.0002008400000000, -0.0000355800000000, 0.0000235700000000 ] - [ -0.0001746400000000, -0.0000410700000000, 0.0000279600000000 ] - [ -0.0001830900000000, -0.0000559700000000, 0.0000397300000000 ] - [ -0.0001926200000000, -0.0000371200000000, 0.0000282000000000 ] - [ 0.0001178800000000, -0.0001399800000000, 0.0000210400000000 ] - [ 0.0001478500000000, -0.0001363700000000, 0.0000423400000000 ] - [ 0.0001316600000000, -0.0001545000000000, 0.0000224900000000 ] - [ 0.0001322100000000, -0.0001378500000000, 0.0000347100000000 ] - [ -0.0000289800000000, 0.0001440800000000, -0.0007340800000000 ] - [ 0.0000240200000000, -0.0000752600000000, -0.0010916800000000 ] - [ 0.0001860000000000, -0.0000722300000000, -0.0008823700000000 ] - [ -0.0001925100000000, -0.0000113300000000, -0.0008221600000000 ] - [ -0.0001532900000000, 0.0001238000000000, -0.0000018100000000 ] - [ -0.0001061200000000, 0.0001691100000000, -0.0000368100000000 ] - [ -0.0001872700000000, 0.0000875400000000, -0.0001132700000000 ] - [ -0.0000834200000000, 0.0001859900000000, 0.0000264500000000 ] - [ 0.0014567000000000, -0.0010561600000000, 0.0034590000000000 ] - [ -0.0020368800000000, 0.0022576800000000, -0.0005381200000000 ] - [ -0.0031403300000000, -0.0024264200000000, -0.0003038600000000 ] - [ 0.0011667400000000, -0.0000405600000000, 0.0008802200000000 ] - [ -0.0000013100000000, -0.0001988900000000, -0.0000234000000000 ] - [ -0.0001275200000000, -0.0001615900000000, -0.0000031500000000 ] - [ -0.0001389400000000, -0.0001588700000000, 0.0000207300000000 ] - [ 0.0000284100000000, -0.0002129100000000, -0.0001094900000000 ] - [ 0.0051015600000000, -0.0015347800000000, -0.0014096600000000 ] - [ -0.0113467300000000, 0.0069439700000000, 0.0027647100000000 ] - [ -0.0058732000000000, 0.0046670500000000, 0.0076501600000000 ] - [ 0.0041295900000000, -0.0019240200000000, -0.0018941600000000 ] - [ 0.0001918400000000, 0.0000366700000000, 0.0000258300000000 ] - [ 0.0001745200000000, 0.0000952500000000, -0.0001095700000000 ] - [ 0.0001929700000000, 0.0000196000000000, -0.0000302900000000 ] - [ 0.0001922700000000, 0.0000151700000000, -0.0000075400000000 ] - [ 0.0042713600000000, -0.0052998400000000, 0.0075040600000000 ] - [ 0.0037451300000000, 0.0093357600000000, -0.0117230100000000 ] - [ -0.0014922200000000, -0.0027465000000000, 0.0009527200000000 ] - [ 0.0003355600000000, -0.0002818900000000, 0.0004890300000000 ] - [ 0.0032433700000000, -0.0017585000000000, 0.0040289900000000 ] - [ 0.0011509600000000, 0.0031611500000000, 0.0005588400000000 ] - [ -0.0138206900000000, -0.0131409800000000, -0.0102253600000000 ] - [ 0.0040513000000000, 0.0017535300000000, 0.0015061400000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0079994800000000, 0.0049397000000000, 0.0006663600000000 ] - [ 0.0082776500000000, 0.0044579000000000, 0.0006663600000000 ] - [ -0.0002781700000000, -0.0093976100000000, 0.0006663600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0030457600000000 ] - [ -0.0000014200000000, 0.0000004700000000, 0.0014237300000000 ] - [ 0.0000003100000000, -0.0000014700000000, 0.0014237300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014135400000000 ] - [ 0.0000011100000000, 0.0000010000000000, 0.0014237300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0018239900000000 ] - [ 0.0000052000000000, 0.0000948800000000, 0.0013174500000000 ] - [ -0.0000847700000000, -0.0000429400000000, 0.0013174500000000 ] - [ 0.0000795700000000, -0.0000519500000000, 0.0013174500000000 ] - [ 0.0234960100000000, 0.0127120100000000, 0.0108902300000000 ] - [ -0.0227569300000000, 0.0139921400000000, 0.0108902300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0043493600000000 ] - [ -0.0007390800000000, -0.0267041400000000, 0.0108902300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0045375700000000 ] - [ 0.0002022900000000, 0.0004106900000000, 0.0029375600000000 ] - [ -0.0004568100000000, -0.0000301600000000, 0.0029375600000000 ] - [ 0.0002545200000000, -0.0003805400000000, 0.0029375600000000 ] - [ 0.0000101500000000, -0.0000027600000000, 0.0033395500000000 ] - [ -0.0000074600000000, -0.0000074100000000, 0.0033395500000000 ] - [ -0.0000026900000000, 0.0000101700000000, 0.0033395500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0033166400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.7869826800000000 ] - [ -0.0002720700000000, -0.0017076500000000, -0.0131392900000000 ] - [ 0.0016149000000000, 0.0006182000000000, -0.0131392900000000 ] - [ -0.0013428300000000, 0.0010894500000000, -0.0131392900000000 ] - [ -0.0010839600000000, -0.0007685500000000, 0.0037456900000000 ] - [ 0.0012075600000000, -0.0005544700000000, 0.0037456900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007292300000000 ] - [ -0.0001236000000000, 0.0013230100000000, 0.0037456900000000 ] - [ -0.0002585900000000, 0.0000522300000000, 0.0029853800000000 ] - [ 0.0001745300000000, 0.0001978300000000, 0.0029853800000000 ] - [ 0.0000840600000000, -0.0002500600000000, 0.0029853800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0029626800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0029679800000000 ] - [ -0.0000009600000000, 0.0000011500000000, 0.0029641800000000 ] - [ -0.0000005100000000, -0.0000014100000000, 0.0029641800000000 ] - [ 0.0000014800000000, 0.0000002600000000, 0.0029641800000000 ] - [ 0.0000296400000000, 0.0000145700000000, 0.0029997100000000 ] - [ -0.0000274400000000, 0.0000183900000000, 0.0029997100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0029771800000000 ] - [ -0.0000022000000000, -0.0000329600000000, 0.0029997100000000 ] - [ 0.0039475900000000, -0.0058915800000000, 0.0045730500000000 ] - [ -0.0070760500000000, -0.0004729200000000, 0.0045730500000000 ] - [ 0.0031284600000000, 0.0063645000000000, 0.0045730500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0019621300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.4986032100000000 ] - [ -0.0000156600000000, 0.0006474300000000, 0.0063834100000000 ] - [ -0.0005528600000000, -0.0003372800000000, 0.0063834100000000 ] - [ 0.0005685200000000, -0.0003101500000000, 0.0063834100000000 ] - [ 0.0476637000000000, 0.0648181100000000, 0.0804657500000000 ] - [ 0.0047250700000000, 0.0008333000000000, 0.0029412000000000 ] - [ -0.0000427900000000, 0.0007440200000000, 0.0028584000000000 ] - [ 0.0049718900000000, 0.0045040900000000, 0.0051589900000000 ] - [ 0.0023833100000000, 0.0014518000000000, -0.0015764400000000 ] - [ -0.0024489500000000, 0.0013381000000000, -0.0015764400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006636400000000 ] - [ 0.0000656500000000, -0.0027899000000000, -0.0015764400000000 ] - [ -0.0799659700000000, 0.0088689200000000, 0.0804657500000000 ] - [ -0.0063866000000000, 0.0020537400000000, 0.0051589900000000 ] - [ -0.0030842000000000, 0.0036753800000000, 0.0029412000000000 ] - [ -0.0006229500000000, -0.0004090600000000, 0.0028584000000000 ] - [ 0.0001823500000000, 0.0000774000000000, -0.0014147800000000 ] - [ 0.0013026200000000, -0.0001988300000000, -0.0013618100000000 ] - [ 0.0011524100000000, -0.0002458900000000, -0.0013467800000000 ] - [ 0.0000949900000000, 0.0000895100000000, -0.0004550000000000 ] - [ 0.0323022800000000, -0.0736870200000000, 0.0804657500000000 ] - [ 0.0006657300000000, -0.0003349600000000, 0.0028584000000000 ] - [ 0.0014147100000000, -0.0065578300000000, 0.0051589900000000 ] - [ -0.0016408700000000, -0.0045086900000000, 0.0029412000000000 ] - [ -0.0001582100000000, 0.0001192200000000, -0.0014147800000000 ] - [ -0.0001250200000000, 0.0000375100000000, -0.0004550000000000 ] - [ -0.0004791100000000, 0.0012275200000000, -0.0013618100000000 ] - [ -0.0003632600000000, 0.0011209600000000, -0.0013467800000000 ] - [ -0.0000241400000000, -0.0001966200000000, -0.0014147800000000 ] - [ -0.0007891500000000, -0.0008750700000000, -0.0013467800000000 ] - [ 0.0000300200000000, -0.0001270200000000, -0.0004550000000000 ] - [ -0.0008235100000000, -0.0010286800000000, -0.0013618100000000 ] - [ 0.0000467100000000, -0.0000128000000000, -0.0026257600000000 ] - [ -0.0000344400000000, -0.0000340500000000, -0.0026257600000000 ] - [ -0.0000122700000000, 0.0000468500000000, -0.0026257600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0026387500000000 ] - [ -0.0005572200000000, -0.0003138000000000, -0.0011361800000000 ] - [ -0.0008051500000000, -0.0003831600000000, -0.0013273700000000 ] - [ -0.0006461400000000, -0.0001519300000000, -0.0011140700000000 ] - [ -0.0007073600000000, -0.0002832700000000, -0.0012298300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010387400000000 ] - [ 0.0000006100000000, -0.0000013500000000, -0.0010362100000000 ] - [ 0.0000008600000000, 0.0000012000000000, -0.0010362100000000 ] - [ -0.0000014700000000, 0.0000001500000000, -0.0010362100000000 ] - [ 0.0007344000000000, -0.0005057000000000, -0.0013273700000000 ] - [ 0.0004546500000000, -0.0004836100000000, -0.0011140700000000 ] - [ 0.0005503700000000, -0.0003256700000000, -0.0011361800000000 ] - [ 0.0005990000000000, -0.0004709600000000, -0.0012298300000000 ] - [ 0.0006827300000000, -0.0000725600000000, -0.0011450900000000 ] - [ 0.0006871500000000, -0.0000719600000000, -0.0011441100000000 ] - [ 0.0006836600000000, -0.0000726000000000, -0.0011433200000000 ] - [ 0.0006843000000000, -0.0000715300000000, -0.0011431100000000 ] - [ 0.0001915000000000, 0.0006355400000000, -0.0011140700000000 ] - [ 0.0000068500000000, 0.0006394700000000, -0.0011361800000000 ] - [ 0.0000707500000000, 0.0008888600000000, -0.0013273700000000 ] - [ 0.0001083600000000, 0.0007542200000000, -0.0012298300000000 ] - [ -0.0002785300000000, 0.0006275400000000, -0.0011450900000000 ] - [ -0.0002802000000000, 0.0006283900000000, -0.0011431100000000 ] - [ -0.0002812600000000, 0.0006310700000000, -0.0011441100000000 ] - [ -0.0002789600000000, 0.0006283700000000, -0.0011433200000000 ] - [ -0.0004042000000000, -0.0005549800000000, -0.0011450900000000 ] - [ -0.0004047000000000, -0.0005557700000000, -0.0011433200000000 ] - [ -0.0004041000000000, -0.0005568600000000, -0.0011431100000000 ] - [ -0.0004058900000000, -0.0005591100000000, -0.0011441100000000 ] - [ -0.0000587500000000, -0.0000326200000000, -0.0026512300000000 ] - [ 0.0000576300000000, -0.0000345700000000, -0.0026512300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0026331500000000 ] - [ 0.0000011200000000, 0.0000671900000000, -0.0026512300000000 ] - [ -0.0006754900000000, -0.0002721000000000, -0.0012046400000000 ] - [ -0.0006712800000000, -0.0002795500000000, -0.0011954400000000 ] - [ -0.0006741500000000, -0.0002855800000000, -0.0012004200000000 ] - [ -0.0006867000000000, -0.0002936000000000, -0.0012011200000000 ] - [ -0.0005382800000000, 0.0011403400000000, -0.0012674300000000 ] - [ 0.0012567000000000, -0.0001040000000000, -0.0012674300000000 ] - [ -0.0007184200000000, -0.0010363300000000, -0.0012674300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003535400000000 ] - [ 0.0005777300000000, -0.0004415700000000, -0.0011954400000000 ] - [ 0.0005843900000000, -0.0004410400000000, -0.0012004200000000 ] - [ 0.0005734000000000, -0.0004489400000000, -0.0012046400000000 ] - [ 0.0005976100000000, -0.0004479000000000, -0.0012011200000000 ] - [ -0.0016622200000000, 0.0012461100000000, 0.0007196500000000 ] - [ 0.0030548400000000, 0.0029308400000000, -0.0031574700000000 ] - [ -0.0013366900000000, 0.0001984500000000, 0.0009275200000000 ] - [ 0.0007029200000000, 0.0000139000000000, -0.0000528300000000 ] - [ 0.0000897600000000, 0.0007266200000000, -0.0012004200000000 ] - [ 0.0001021000000000, 0.0007210500000000, -0.0012046400000000 ] - [ 0.0000935400000000, 0.0007211200000000, -0.0011954400000000 ] - [ 0.0000890900000000, 0.0007415000000000, -0.0012011200000000 ] - [ -0.0040656000000000, 0.0011801500000000, -0.0031574700000000 ] - [ 0.0004964800000000, -0.0012568300000000, 0.0009275200000000 ] - [ -0.0002480500000000, -0.0020625800000000, 0.0007196500000000 ] - [ -0.0003635000000000, 0.0006018000000000, -0.0000528300000000 ] - [ 0.0008402100000000, 0.0010583800000000, 0.0009275200000000 ] - [ 0.0019102700000000, 0.0008164700000000, 0.0007196500000000 ] - [ 0.0010107600000000, -0.0041109900000000, -0.0031574700000000 ] - [ -0.0003394300000000, -0.0006157000000000, -0.0000528300000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0079307700000000, -0.0049001200000000, -0.0006521000000000 ] - [ -0.0082090100000000, -0.0044181800000000, -0.0006521000000000 ] - [ 0.0002782500000000, 0.0093183100000000, -0.0006521000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0030256200000000 ] - [ 0.0000014700000000, -0.0000003900000000, -0.0014181100000000 ] - [ -0.0000003900000000, 0.0000014600000000, -0.0014181100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014079800000000 ] - [ -0.0000010700000000, -0.0000010700000000, -0.0014181100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0018240700000000 ] - [ -0.0000053800000000, -0.0000963300000000, -0.0013127300000000 ] - [ 0.0000861100000000, 0.0000435000000000, -0.0013127300000000 ] - [ -0.0000807300000000, 0.0000528300000000, -0.0013127300000000 ] - [ -0.0238268000000000, -0.0128630400000000, -0.0109249200000000 ] - [ 0.0230531200000000, -0.0142031000000000, -0.0109249200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0043634900000000 ] - [ 0.0007736800000000, 0.0270661400000000, -0.0109249200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0045050300000000 ] - [ -0.0002010800000000, -0.0004072600000000, -0.0029134500000000 ] - [ 0.0004532400000000, 0.0000294900000000, -0.0029134500000000 ] - [ -0.0002521600000000, 0.0003777700000000, -0.0029134500000000 ] - [ -0.0000104000000000, 0.0000030500000000, -0.0033372500000000 ] - [ 0.0000078400000000, 0.0000074800000000, -0.0033372500000000 ] - [ 0.0000025600000000, -0.0000105300000000, -0.0033372500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0033144000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.7540491400000000 ] - [ 0.0002743800000000, 0.0016532300000000, 0.0131101000000000 ] - [ -0.0015689200000000, -0.0005890000000000, 0.0131101000000000 ] - [ 0.0012945500000000, -0.0010642300000000, 0.0131101000000000 ] - [ 0.0010792400000000, 0.0007644200000000, -0.0037713000000000 ] - [ -0.0012016300000000, 0.0005524400000000, -0.0037713000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007816500000000 ] - [ 0.0001223900000000, -0.0013168600000000, -0.0037713000000000 ] - [ 0.0002565400000000, -0.0000514500000000, -0.0029525500000000 ] - [ -0.0001728300000000, -0.0001964400000000, -0.0029525500000000 ] - [ -0.0000837100000000, 0.0002479000000000, -0.0029525500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0029298900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0029791200000000 ] - [ 0.0000006000000000, -0.0000015200000000, -0.0029736300000000 ] - [ 0.0000010200000000, 0.0000012700000000, -0.0029736300000000 ] - [ -0.0000016100000000, 0.0000002400000000, -0.0029736300000000 ] - [ -0.0000298500000000, -0.0000148300000000, -0.0029379800000000 ] - [ 0.0000277700000000, -0.0000184300000000, -0.0029379800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0029148500000000 ] - [ 0.0000020800000000, 0.0000332600000000, -0.0029379800000000 ] - [ -0.0039586800000000, 0.0059654600000000, -0.0046418500000000 ] - [ 0.0071455900000000, 0.0004455900000000, -0.0046418500000000 ] - [ -0.0031869000000000, -0.0064110500000000, -0.0046418500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0019908100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.4688242100000000 ] - [ 0.0000133600000000, -0.0006362300000000, -0.0079651900000000 ] - [ 0.0005443100000000, 0.0003296800000000, -0.0079651900000000 ] - [ -0.0005576700000000, 0.0003065500000000, -0.0079651900000000 ] - [ -0.0486111600000000, -0.0657888300000000, -0.0799251900000000 ] - [ -0.0048840400000000, -0.0005375400000000, -0.0029313300000000 ] - [ -0.0002332500000000, -0.0004772800000000, -0.0029060100000000 ] - [ -0.0051669700000000, -0.0042145600000000, -0.0051641900000000 ] - [ -0.0023675600000000, -0.0014422600000000, 0.0031912600000000 ] - [ 0.0024328100000000, -0.0013292400000000, 0.0031912600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009775100000000 ] - [ -0.0000652500000000, 0.0027715000000000, 0.0031912600000000 ] - [ 0.0812803800000000, -0.0092040800000000, -0.0799251900000000 ] - [ 0.0062334000000000, -0.0023674400000000, -0.0051641900000000 ] - [ 0.0029075400000000, -0.0039609300000000, -0.0029313300000000 ] - [ 0.0005299600000000, 0.0000366400000000, -0.0029060100000000 ] - [ -0.0000780000000000, 0.0002938100000000, 0.0014617000000000 ] - [ -0.0011921300000000, 0.0005681600000000, 0.0014082800000000 ] - [ -0.0010428600000000, 0.0006147400000000, 0.0013940900000000 ] - [ 0.0000096200000000, 0.0002825100000000, 0.0005082700000000 ] - [ -0.0326692200000000, 0.0749929200000000, -0.0799251900000000 ] - [ -0.0002967100000000, 0.0004406400000000, -0.0029060100000000 ] - [ -0.0010664400000000, 0.0065820100000000, -0.0051641900000000 ] - [ 0.0019764900000000, 0.0044984700000000, -0.0029313300000000 ] - [ -0.0002154500000000, -0.0002144500000000, 0.0014617000000000 ] - [ -0.0002494700000000, -0.0001329300000000, 0.0005082700000000 ] - [ 0.0001040200000000, -0.0013165000000000, 0.0014082800000000 ] - [ -0.0000109500000000, -0.0012105100000000, 0.0013940900000000 ] - [ 0.0002934500000000, -0.0000793600000000, 0.0014617000000000 ] - [ 0.0010538100000000, 0.0005957800000000, 0.0013940900000000 ] - [ 0.0002398500000000, -0.0001495900000000, 0.0005082700000000 ] - [ 0.0010881100000000, 0.0007483400000000, 0.0014082800000000 ] - [ -0.0000460600000000, 0.0000129100000000, 0.0010157000000000 ] - [ 0.0000342100000000, 0.0000334300000000, 0.0010157000000000 ] - [ 0.0000118500000000, -0.0000463400000000, 0.0010157000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010283900000000 ] - [ 0.0002831600000000, 0.0005883500000000, 0.0010730000000000 ] - [ 0.0005293800000000, 0.0006583200000000, 0.0012628900000000 ] - [ 0.0003714700000000, 0.0004292900000000, 0.0010508500000000 ] - [ 0.0004320300000000, 0.0005566900000000, 0.0011662100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0026384000000000 ] - [ -0.0000002000000000, 0.0000007200000000, 0.0026340500000000 ] - [ -0.0000005200000000, -0.0000005300000000, 0.0026340500000000 ] - [ 0.0000007200000000, -0.0000001900000000, 0.0026340500000000 ] - [ -0.0008348200000000, 0.0001293000000000, 0.0012628900000000 ] - [ -0.0005575100000000, 0.0001070600000000, 0.0010508500000000 ] - [ -0.0006511100000000, -0.0000489500000000, 0.0010730000000000 ] - [ -0.0006981200000000, 0.0000958100000000, 0.0011662100000000 ] - [ -0.0005788900000000, 0.0004455000000000, 0.0011985200000000 ] - [ -0.0005782300000000, 0.0004463600000000, 0.0011974200000000 ] - [ -0.0005785300000000, 0.0004458300000000, 0.0011967900000000 ] - [ -0.0005758200000000, 0.0004461200000000, 0.0011963800000000 ] - [ 0.0001860400000000, -0.0005363500000000, 0.0010508500000000 ] - [ 0.0003679500000000, -0.0005394000000000, 0.0010730000000000 ] - [ 0.0003054300000000, -0.0007876200000000, 0.0012628900000000 ] - [ 0.0002660900000000, -0.0006525000000000, 0.0011662100000000 ] - [ -0.0000963700000000, -0.0007240800000000, 0.0011985200000000 ] - [ -0.0000984400000000, -0.0007217400000000, 0.0011963800000000 ] - [ -0.0000974500000000, -0.0007239400000000, 0.0011974200000000 ] - [ -0.0000968300000000, -0.0007239400000000, 0.0011967900000000 ] - [ 0.0006752600000000, 0.0002785800000000, 0.0011985200000000 ] - [ 0.0006753700000000, 0.0002781100000000, 0.0011967900000000 ] - [ 0.0006742600000000, 0.0002756200000000, 0.0011963800000000 ] - [ 0.0006756800000000, 0.0002775800000000, 0.0011974200000000 ] - [ 0.0000594900000000, 0.0000325700000000, 0.0010075300000000 ] - [ -0.0000579500000000, 0.0000352300000000, 0.0010075300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009899600000000 ] - [ -0.0000015400000000, -0.0000678000000000, 0.0010075300000000 ] - [ 0.0004038000000000, 0.0005485500000000, 0.0011451900000000 ] - [ 0.0003995300000000, 0.0005559600000000, 0.0011359600000000 ] - [ 0.0004021300000000, 0.0005601300000000, 0.0011411100000000 ] - [ 0.0004149600000000, 0.0005699100000000, 0.0011416300000000 ] - [ 0.0005352400000000, -0.0011515500000000, 0.0028887700000000 ] - [ -0.0012649000000000, 0.0001122400000000, 0.0028887700000000 ] - [ 0.0007296500000000, 0.0010393100000000, 0.0028887700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0019750400000000 ] - [ -0.0006812400000000, 0.0000680300000000, 0.0011359600000000 ] - [ -0.0006861500000000, 0.0000681900000000, 0.0011411100000000 ] - [ -0.0006769600000000, 0.0000754300000000, 0.0011451900000000 ] - [ -0.0007010300000000, 0.0000744100000000, 0.0011416300000000 ] - [ 0.0017775500000000, -0.0008829000000000, -0.0006703200000000 ] - [ -0.0029307700000000, -0.0026356100000000, 0.0031832100000000 ] - [ 0.0015103600000000, 0.0001303400000000, -0.0009325200000000 ] - [ -0.0005896400000000, 0.0003556800000000, 0.0000965500000000 ] - [ 0.0002840200000000, -0.0006283200000000, 0.0011411100000000 ] - [ 0.0002731600000000, -0.0006239800000000, 0.0011451900000000 ] - [ 0.0002817100000000, -0.0006239800000000, 0.0011359600000000 ] - [ 0.0002860800000000, -0.0006443200000000, 0.0011416300000000 ] - [ 0.0037478900000000, -0.0012203200000000, 0.0031832100000000 ] - [ -0.0008680600000000, 0.0012428300000000, -0.0009325200000000 ] - [ -0.0001241600000000, 0.0019808600000000, -0.0006703200000000 ] - [ -0.0000132100000000, -0.0006884900000000, 0.0000965500000000 ] - [ -0.0006423000000000, -0.0013731800000000, -0.0009325200000000 ] - [ -0.0016533900000000, -0.0010979500000000, -0.0006703200000000 ] - [ -0.0008171200000000, 0.0038559300000000, 0.0031832100000000 ] - [ 0.0006028500000000, 0.0003328100000000, 0.0000965500000000 ]- atom: 49 displacement: [ 0.0100000000000000, 0.0000000002713277, 0.0000000000000000 ] forces: - [ 0.0001163700000000, 0.0008262600000000, 0.0007301600000000 ] - [ 0.0003220100000000, -0.0008758800000000, -0.0007083300000000 ] - [ 0.0016936900000000, 0.0000445400000000, 0.0000325500000000 ] - [ -0.0006079700000000, 0.0000736900000000, 0.0000021800000000 ] - [ 0.0000008600000000, -0.0000042100000000, 0.0000064500000000 ] - [ -0.0000012300000000, 0.0000036600000000, -0.0000083300000000 ] - [ -0.0000064300000000, -0.0000010200000000, -0.0000010900000000 ] - [ 0.0000066600000000, 0.0000015100000000, -0.0000013800000000 ] - [ 0.0001543600000000, -0.0000375000000000, -0.0000014400000000 ] - [ -0.0001626100000000, -0.0000111900000000, 0.0000566400000000 ] - [ -0.0000212800000000, 0.0001084200000000, -0.0000385000000000 ] - [ 0.0000111200000000, -0.0000736400000000, -0.0000217200000000 ] - [ -0.0070809100000000, -0.0012609800000000, -0.0048862600000000 ] - [ -0.0056125600000000, 0.0093838700000000, 0.0063874700000000 ] - [ -0.0008110500000000, -0.0006825700000000, 0.0000045800000000 ] - [ 0.0029140200000000, 0.0028871800000000, -0.0015482500000000 ] - [ 0.0008449300000000, -0.0000992000000000, 0.0000027600000000 ] - [ -0.0008369700000000, 0.0001274100000000, -0.0000089200000000 ] - [ 0.0000758300000000, 0.0004949400000000, -0.0001727400000000 ] - [ -0.0000612600000000, -0.0004797000000000, 0.0001912500000000 ] - [ 0.0000007400000000, 0.0000032100000000, -0.0000251600000000 ] - [ 0.0000008300000000, -0.0000097500000000, 0.0000035600000000 ] - [ 0.0000119100000000, -0.0000033600000000, -0.0000055100000000 ] - [ -0.0000072400000000, 0.0000072800000000, -0.0000090700000000 ] - [ 0.0525651400000000, 0.0013580400000000, 0.0014477900000000 ] - [ -0.0053554100000000, -0.0013542300000000, 0.0000804400000000 ] - [ -0.0019927800000000, 0.0028814000000000, -0.0004573900000000 ] - [ -0.0000029300000000, -0.0021552900000000, 0.0006545100000000 ] - [ -0.0000537800000000, -0.0001186000000000, 0.0022935200000000 ] - [ 0.0001491600000000, 0.0001393600000000, -0.0025215700000000 ] - [ -0.0002729600000000, 0.0001360200000000, -0.0000829000000000 ] - [ 0.0002707100000000, -0.0001674300000000, -0.0000162600000000 ] - [ -0.0000203100000000, 0.0001132200000000, 0.0001211700000000 ] - [ 0.0000330200000000, -0.0001062200000000, 0.0000044300000000 ] - [ 0.0001963700000000, 0.0000495100000000, 0.0000648100000000 ] - [ -0.0001821900000000, -0.0000724300000000, 0.0000636100000000 ] - [ 0.0000027900000000, 0.0000007400000000, -0.0000685300000000 ] - [ -0.0000102100000000, -0.0000021200000000, -0.0000679800000000 ] - [ -0.0000057400000000, 0.0000047200000000, -0.0000674200000000 ] - [ -0.0000021700000000, -0.0000026200000000, -0.0000692800000000 ] - [ 0.0000057700000000, -0.0000107500000000, 0.0000422400000000 ] - [ 0.0000003300000000, 0.0000089700000000, 0.0001232200000000 ] - [ -0.0000176400000000, -0.0000009500000000, 0.0000765600000000 ] - [ 0.0000200000000000, 0.0000038000000000, 0.0000645800000000 ] - [ -0.0014724900000000, 0.0002350800000000, -0.0006214200000000 ] - [ 0.0020400900000000, -0.0030757700000000, 0.0011802800000000 ] - [ 0.0031552500000000, 0.0016086300000000, -0.0008072700000000 ] - [ -0.0011703700000000, -0.0000417000000000, -0.0000807500000000 ] - [ -0.0549507700000000, -0.0000283200000000, -0.0021584200000000 ] - [ 0.0020195500000000, 0.0001672200000000, -0.0008447700000000 ] - [ 0.0003549600000000, -0.0011273700000000, -0.0005420100000000 ] - [ 0.0000642700000000, 0.0009615200000000, -0.0012727800000000 ] - [ -0.0001106100000000, 0.0096271400000000, 0.0201075500000000 ] - [ 0.0026789600000000, 0.0008345900000000, 0.0006043600000000 ] - [ 0.0001195500000000, -0.0005777000000000, 0.0000857300000000 ] - [ -0.0008219300000000, 0.0005259600000000, -0.0005262200000000 ] - [ 0.0006581800000000, 0.0008054900000000, -0.0010249100000000 ] - [ 0.0006407300000000, -0.0008231100000000, 0.0028418600000000 ] - [ 0.0007803900000000, 0.0000022700000000, 0.0008815400000000 ] - [ -0.0007607000000000, 0.0000129000000000, 0.0008288800000000 ] - [ 0.0137746300000000, -0.0075498800000000, -0.0327727700000000 ] - [ 0.0029664400000000, -0.0002714000000000, -0.0000175900000000 ] - [ 0.0009582900000000, -0.0012552900000000, -0.0004295800000000 ] - [ -0.0003863100000000, 0.0003950700000000, 0.0000954000000000 ] - [ -0.0006007400000000, 0.0003540800000000, 0.0006132500000000 ] - [ 0.0008194600000000, -0.0000526700000000, -0.0006554800000000 ] - [ 0.0000041900000000, 0.0000525700000000, -0.0000251000000000 ] - [ 0.0001225800000000, 0.0003089200000000, 0.0000731100000000 ] - [ -0.0075381400000000, -0.0108759300000000, 0.0124903700000000 ] - [ 0.0012730800000000, 0.0004688300000000, -0.0002753700000000 ] - [ 0.0009443100000000, -0.0030220300000000, 0.0004474300000000 ] - [ 0.0005780700000000, 0.0014096400000000, -0.0002672400000000 ] - [ -0.0003943500000000, 0.0000666000000000, 0.0001037000000000 ] - [ -0.0000021700000000, -0.0001272000000000, -0.0000331400000000 ] - [ -0.0000582400000000, -0.0007446900000000, 0.0007650500000000 ] - [ -0.0003628600000000, 0.0005645200000000, -0.0006208700000000 ] - [ -0.0003554800000000, -0.0003962000000000, -0.0006273400000000 ] - [ 0.0006559500000000, 0.0001993000000000, 0.0007359900000000 ] - [ 0.0000743700000000, -0.0002282700000000, 0.0000501900000000 ] - [ 0.0001731300000000, -0.0000646000000000, -0.0000198800000000 ] - [ -0.0000001600000000, -0.0000212000000000, -0.0008937200000000 ] - [ -0.0000014800000000, 0.0000198000000000, -0.0008360100000000 ] - [ -0.0000363300000000, -0.0000018100000000, -0.0008627600000000 ] - [ 0.0000342600000000, 0.0000065400000000, -0.0008640900000000 ] - [ -0.0001520700000000, 0.0000605400000000, -0.0001262900000000 ] - [ -0.0001215800000000, 0.0002138100000000, 0.0000568400000000 ] - [ -0.0002299400000000, 0.0001522000000000, -0.0001149000000000 ] - [ -0.0000229600000000, 0.0001331000000000, 0.0000656300000000 ] - [ -0.0000035600000000, -0.0000000500000000, 0.0008669900000000 ] - [ 0.0000037000000000, 0.0000002800000000, 0.0008667600000000 ] - [ 0.0000003000000000, -0.0000025000000000, 0.0008661200000000 ] - [ -0.0000004200000000, 0.0000018600000000, 0.0008676800000000 ] - [ -0.0000859000000000, -0.0002487100000000, -0.0000943000000000 ] - [ -0.0000366200000000, -0.0001205100000000, 0.0000416700000000 ] - [ -0.0002030400000000, -0.0001838900000000, 0.0000815500000000 ] - [ 0.0000699500000000, -0.0001821600000000, -0.0001322900000000 ] - [ 0.0000548200000000, 0.0001860900000000, 0.0000336700000000 ] - [ 0.0000625200000000, 0.0001848300000000, 0.0000282500000000 ] - [ 0.0000598700000000, 0.0001829200000000, 0.0000291300000000 ] - [ 0.0000577400000000, 0.0001867200000000, 0.0000329800000000 ] - [ 0.0001978500000000, -0.0000240600000000, -0.0000170700000000 ] - [ 0.0001778700000000, 0.0001100600000000, -0.0000455900000000 ] - [ 0.0000626400000000, 0.0000793800000000, -0.0000528400000000 ] - [ 0.0003170600000000, 0.0000227300000000, -0.0000234700000000 ] - [ -0.0001900800000000, -0.0000432400000000, 0.0000316300000000 ] - [ -0.0001852100000000, -0.0000441100000000, 0.0000322200000000 ] - [ -0.0001870400000000, -0.0000466000000000, 0.0000340500000000 ] - [ -0.0001886600000000, -0.0000426000000000, 0.0000322300000000 ] - [ 0.0001306400000000, -0.0001412900000000, 0.0000309100000000 ] - [ 0.0001371000000000, -0.0001400900000000, 0.0000349800000000 ] - [ 0.0001333300000000, -0.0001438100000000, 0.0000312100000000 ] - [ 0.0001341500000000, -0.0001400000000000, 0.0000340900000000 ] - [ -0.0000013100000000, 0.0000222900000000, -0.0008486900000000 ] - [ -0.0000001300000000, -0.0000188700000000, -0.0009158300000000 ] - [ 0.0000344200000000, -0.0000063600000000, -0.0008777600000000 ] - [ -0.0000363800000000, 0.0000005200000000, -0.0008691300000000 ] - [ -0.0001357100000000, 0.0001389900000000, -0.0000244800000000 ] - [ -0.0001257500000000, 0.0001489600000000, -0.0000300100000000 ] - [ -0.0001423600000000, 0.0001314400000000, -0.0000435300000000 ] - [ -0.0001215500000000, 0.0001512500000000, -0.0000174100000000 ] - [ 0.0002635100000000, -0.0000808600000000, 0.0013065400000000 ] - [ -0.0005071000000000, 0.0005240800000000, 0.0006029900000000 ] - [ -0.0006462500000000, -0.0004439200000000, 0.0007343600000000 ] - [ 0.0002083000000000, -0.0000004000000000, 0.0008808400000000 ] - [ -0.0000503200000000, -0.0001856500000000, -0.0000258600000000 ] - [ -0.0000729000000000, -0.0001791000000000, -0.0000229800000000 ] - [ -0.0000749600000000, -0.0001789500000000, -0.0000168400000000 ] - [ -0.0000453900000000, -0.0001887700000000, -0.0000413800000000 ] - [ 0.0009373600000000, -0.0000414100000000, -0.0001987800000000 ] - [ -0.0022467400000000, 0.0013436000000000, 0.0007472600000000 ] - [ -0.0010889200000000, 0.0012755800000000, 0.0018574300000000 ] - [ 0.0007989100000000, -0.0002539800000000, -0.0003361700000000 ] - [ 0.0001893500000000, 0.0000381400000000, -0.0000172200000000 ] - [ 0.0001857200000000, 0.0000491900000000, -0.0000424500000000 ] - [ 0.0001885400000000, 0.0000383200000000, -0.0000279400000000 ] - [ 0.0001882000000000, 0.0000373000000000, -0.0000249000000000 ] - [ 0.0004440600000000, -0.0010882800000000, 0.0010792700000000 ] - [ 0.0007866700000000, 0.0020789800000000, -0.0027003300000000 ] - [ -0.0004426600000000, -0.0004310100000000, 0.0001693200000000 ] - [ -0.0001045100000000, -0.0000698800000000, 0.0000882900000000 ] - [ 0.0009268900000000, -0.0003799000000000, 0.0009275000000000 ] - [ 0.0002937800000000, 0.0005254000000000, 0.0001124800000000 ] - [ -0.0026295800000000, -0.0026269000000000, -0.0017419200000000 ] - [ 0.0008958100000000, 0.0001896700000000, 0.0003338000000000 ]- atom: 49 displacement: [ -0.0100000000000000, -0.0000000002713277, 0.0000000000000000 ] forces: - [ -0.0002068300000000, -0.0007711400000000, -0.0006815600000000 ] - [ -0.0002263200000000, 0.0009352900000000, 0.0007600400000000 ] - [ -0.0016946700000000, -0.0000435400000000, -0.0000241500000000 ] - [ 0.0006080100000000, -0.0000712600000000, 0.0000021700000000 ] - [ -0.0000008800000000, 0.0000042200000000, -0.0000086500000000 ] - [ 0.0000012300000000, -0.0000036700000000, 0.0000061600000000 ] - [ 0.0000064100000000, 0.0000010100000000, -0.0000010900000000 ] - [ -0.0000066300000000, -0.0000015400000000, -0.0000007800000000 ] - [ -0.0001536700000000, 0.0000372200000000, -0.0000014400000000 ] - [ 0.0001618300000000, 0.0000107800000000, -0.0000587300000000 ] - [ 0.0000213400000000, -0.0001075100000000, 0.0000359000000000 ] - [ -0.0000113900000000, 0.0000734700000000, 0.0000192400000000 ] - [ 0.0070018700000000, 0.0012523500000000, 0.0048647700000000 ] - [ 0.0056432300000000, -0.0094118300000000, -0.0064145900000000 ] - [ 0.0008087700000000, 0.0006776700000000, 0.0000046400000000 ] - [ -0.0028707800000000, -0.0028057500000000, 0.0015031400000000 ] - [ -0.0008477600000000, 0.0001009600000000, 0.0000027700000000 ] - [ 0.0008357600000000, -0.0001255100000000, 0.0000146700000000 ] - [ -0.0000777200000000, -0.0004945800000000, 0.0001796900000000 ] - [ 0.0000604200000000, 0.0004807000000000, -0.0001847300000000 ] - [ 0.0000009300000000, -0.0000043800000000, 0.0000068500000000 ] - [ 0.0000010200000000, 0.0000086500000000, -0.0000215000000000 ] - [ -0.0000104100000000, 0.0000020700000000, -0.0000125900000000 ] - [ 0.0000091000000000, -0.0000084300000000, -0.0000091000000000 ] - [ -0.0526407000000000, -0.0013237500000000, 0.0014482000000000 ] - [ 0.0053552500000000, 0.0013523500000000, 0.0001098600000000 ] - [ 0.0019840400000000, -0.0028751600000000, 0.0006404200000000 ] - [ 0.0000115000000000, 0.0021513400000000, -0.0004717500000000 ] - [ 0.0000496600000000, 0.0001196600000000, -0.0024583300000000 ] - [ -0.0001530500000000, -0.0001385700000000, 0.0023604800000000 ] - [ 0.0002686000000000, -0.0001394000000000, -0.0000831800000000 ] - [ -0.0002757100000000, 0.0001640400000000, -0.0001474100000000 ] - [ 0.0000272500000000, -0.0001136800000000, 0.0000061500000000 ] - [ -0.0000254800000000, 0.0001056300000000, 0.0001227700000000 ] - [ -0.0001891000000000, -0.0000498900000000, 0.0000625000000000 ] - [ 0.0001895900000000, 0.0000726100000000, 0.0000639200000000 ] - [ -0.0000102100000000, -0.0000003200000000, -0.0000688200000000 ] - [ 0.0000033100000000, 0.0000024200000000, -0.0000691100000000 ] - [ -0.0000015200000000, -0.0000044600000000, -0.0000691100000000 ] - [ -0.0000051700000000, 0.0000031200000000, -0.0000674500000000 ] - [ -0.0000013000000000, 0.0000113000000000, 0.0001110700000000 ] - [ 0.0000042000000000, -0.0000079900000000, 0.0000308600000000 ] - [ 0.0000216900000000, 0.0000016300000000, 0.0000768300000000 ] - [ -0.0000153900000000, -0.0000030800000000, 0.0000889200000000 ] - [ 0.0014506500000000, -0.0002335400000000, 0.0004522500000000 ] - [ -0.0020274600000000, 0.0030655500000000, -0.0013420100000000 ] - [ -0.0031412400000000, -0.0016091700000000, 0.0006404100000000 ] - [ 0.0011624200000000, 0.0000418000000000, -0.0000809900000000 ] - [ 0.0547314300000000, -0.0000304400000000, -0.0021598900000000 ] - [ -0.0020192400000000, -0.0001682200000000, -0.0009305600000000 ] - [ -0.0003533400000000, 0.0011291700000000, -0.0012302400000000 ] - [ -0.0000647200000000, -0.0009584500000000, -0.0004995800000000 ] - [ -0.0000071500000000, -0.0094080000000000, -0.0201628600000000 ] - [ -0.0029392400000000, -0.0005495300000000, -0.0006650600000000 ] - [ -0.0003789700000000, 0.0008618500000000, -0.0001498000000000 ] - [ 0.0005551200000000, -0.0002454600000000, 0.0004639000000000 ] - [ -0.0006618000000000, -0.0008123200000000, 0.0027921000000000 ] - [ -0.0006393700000000, 0.0008176900000000, -0.0010768400000000 ] - [ -0.0007810400000000, 0.0000022800000000, 0.0008818100000000 ] - [ 0.0007613000000000, -0.0000101400000000, 0.0009314700000000 ] - [ -0.0137938500000000, 0.0071665700000000, 0.0324441200000000 ] - [ -0.0030708100000000, -0.0001012900000000, -0.0000559200000000 ] - [ -0.0010726700000000, 0.0008814000000000, 0.0003694000000000 ] - [ 0.0002638800000000, -0.0007586300000000, -0.0001544900000000 ] - [ 0.0007206600000000, 0.0000128400000000, -0.0005564200000000 ] - [ -0.0007009800000000, 0.0004198700000000, 0.0007136000000000 ] - [ 0.0001155400000000, 0.0003152000000000, 0.0000826500000000 ] - [ -0.0000032700000000, 0.0000587200000000, -0.0000150400000000 ] - [ 0.0079583100000000, 0.0109289600000000, -0.0124548300000000 ] - [ -0.0008972800000000, -0.0003831800000000, 0.0002103900000000 ] - [ -0.0005707000000000, 0.0030982200000000, -0.0005040300000000 ] - [ -0.0001976900000000, -0.0013208100000000, 0.0002035100000000 ] - [ 0.0000190500000000, -0.0001497000000000, -0.0000437600000000 ] - [ -0.0003737700000000, 0.0000440900000000, 0.0000934400000000 ] - [ -0.0003164900000000, 0.0006602500000000, -0.0007050500000000 ] - [ -0.0000120800000000, -0.0006493800000000, 0.0006818500000000 ] - [ 0.0006198800000000, 0.0001115300000000, 0.0006894500000000 ] - [ -0.0003919800000000, -0.0004834900000000, -0.0006748500000000 ] - [ 0.0001901500000000, -0.0000547600000000, 0.0000111300000000 ] - [ 0.0000910000000000, -0.0002187600000000, 0.0000807600000000 ] - [ 0.0000003200000000, 0.0000215300000000, -0.0008350700000000 ] - [ 0.0000015300000000, -0.0000196000000000, -0.0008926500000000 ] - [ 0.0000365300000000, 0.0000020400000000, -0.0008657400000000 ] - [ -0.0000341100000000, -0.0000063800000000, -0.0008644200000000 ] - [ -0.0001135700000000, 0.0002234600000000, 0.0000649400000000 ] - [ -0.0001440900000000, 0.0000702200000000, -0.0001184600000000 ] - [ -0.0000356400000000, 0.0001317900000000, 0.0000535200000000 ] - [ -0.0002426400000000, 0.0001498700000000, -0.0001269200000000 ] - [ 0.0000034800000000, -0.0000002200000000, 0.0008672500000000 ] - [ -0.0000038500000000, -0.0000005600000000, 0.0008675300000000 ] - [ -0.0000004400000000, 0.0000022500000000, 0.0008676100000000 ] - [ 0.0000002800000000, -0.0000020900000000, 0.0008663500000000 ] - [ -0.0000331700000000, -0.0001202500000000, 0.0000365200000000 ] - [ -0.0000831800000000, -0.0002487800000000, -0.0000995700000000 ] - [ 0.0000832600000000, -0.0001856000000000, -0.0001397500000000 ] - [ -0.0001894900000000, -0.0001871300000000, 0.0000743200000000 ] - [ 0.0000625500000000, 0.0001842300000000, 0.0000283100000000 ] - [ 0.0000544800000000, 0.0001851000000000, 0.0000336000000000 ] - [ 0.0000577500000000, 0.0001872900000000, 0.0000329000000000 ] - [ 0.0000599900000000, 0.0001836900000000, 0.0000290600000000 ] - [ 0.0001780800000000, 0.0001100200000000, -0.0000439000000000 ] - [ 0.0001973600000000, -0.0000240500000000, -0.0000151500000000 ] - [ 0.0003130600000000, 0.0000065300000000, -0.0000080000000000 ] - [ 0.0000583600000000, 0.0000629000000000, -0.0000371400000000 ] - [ -0.0001848000000000, -0.0000452700000000, 0.0000331900000000 ] - [ -0.0001904000000000, -0.0000441300000000, 0.0000326900000000 ] - [ -0.0001885500000000, -0.0000414400000000, 0.0000310100000000 ] - [ -0.0001868900000000, -0.0000454900000000, 0.0000326300000000 ] - [ 0.0001367200000000, -0.0001410300000000, 0.0000344000000000 ] - [ 0.0001303600000000, -0.0001426400000000, 0.0000304800000000 ] - [ 0.0001342000000000, -0.0001387600000000, 0.0000343400000000 ] - [ 0.0001333400000000, -0.0001428400000000, 0.0000314600000000 ] - [ 0.0000017000000000, -0.0000218300000000, -0.0009069700000000 ] - [ 0.0000003400000000, 0.0000191100000000, -0.0008408200000000 ] - [ -0.0000339400000000, 0.0000066500000000, -0.0008780200000000 ] - [ 0.0000364600000000, -0.0000003500000000, -0.0008866400000000 ] - [ -0.0001267600000000, 0.0001466000000000, -0.0000329500000000 ] - [ -0.0001366400000000, 0.0001368500000000, -0.0000274800000000 ] - [ -0.0001199800000000, 0.0001535900000000, -0.0000137900000000 ] - [ -0.0001408500000000, 0.0001343900000000, -0.0000400100000000 ] - [ -0.0002605900000000, 0.0000796200000000, 0.0004594200000000 ] - [ 0.0005038700000000, -0.0005227000000000, 0.0011581300000000 ] - [ 0.0006426900000000, 0.0004423700000000, 0.0010272900000000 ] - [ -0.0002076600000000, -0.0000004400000000, 0.0008810600000000 ] - [ -0.0000711000000000, -0.0001806200000000, -0.0000277400000000 ] - [ -0.0000487500000000, -0.0001872600000000, -0.0000307000000000 ] - [ -0.0000471100000000, -0.0001875500000000, -0.0000368100000000 ] - [ -0.0000763200000000, -0.0001776000000000, -0.0000121900000000 ] - [ -0.0008076300000000, 0.0004060500000000, 0.0002507000000000 ] - [ 0.0023597200000000, -0.0009799300000000, -0.0006892200000000 ] - [ 0.0012040900000000, -0.0009048300000000, -0.0017943500000000 ] - [ -0.0006747100000000, 0.0006192900000000, 0.0003912500000000 ] - [ 0.0001861500000000, 0.0000433800000000, -0.0000388500000000 ] - [ 0.0001898200000000, 0.0000321600000000, -0.0000136300000000 ] - [ 0.0001872800000000, 0.0000431600000000, -0.0000282100000000 ] - [ 0.0001871500000000, 0.0000443200000000, -0.0000311400000000 ] - [ -0.0008090000000000, 0.0010030900000000, -0.0010130800000000 ] - [ -0.0011563000000000, -0.0021402300000000, 0.0027408600000000 ] - [ 0.0000646300000000, 0.0003519700000000, -0.0001130400000000 ] - [ -0.0002719500000000, -0.0000125400000000, -0.0000298900000000 ] - [ -0.0006638500000000, 0.0000889200000000, -0.0008621500000000 ] - [ -0.0000348300000000, -0.0008096700000000, -0.0000550900000000 ] - [ 0.0028703300000000, 0.0023317200000000, 0.0017865900000000 ] - [ -0.0006316500000000, -0.0004762100000000, -0.0002758100000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0021727900000000, -0.0012923800000000, 0.0020535700000000 ] - [ -0.0022056300000000, -0.0012355000000000, 0.0020535700000000 ] - [ 0.0000328300000000, 0.0025278800000000, 0.0020535700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0019686200000000 ] - [ 0.0000018200000000, 0.0000001800000000, -0.0008767000000000 ] - [ -0.0000010600000000, 0.0000014900000000, -0.0008767000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008685700000000 ] - [ -0.0000007600000000, -0.0000016600000000, -0.0008767000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009774200000000 ] - [ 0.0000211500000000, -0.0000749000000000, -0.0008398000000000 ] - [ 0.0000542900000000, 0.0000557600000000, -0.0008398000000000 ] - [ -0.0000754400000000, 0.0000191300000000, -0.0008398000000000 ] - [ -0.0118096500000000, -0.0017890700000000, -0.0033723900000000 ] - [ 0.0074542000000000, -0.0093329200000000, -0.0033723900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0027050600000000 ] - [ 0.0043554500000000, 0.0111219900000000, -0.0033723900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0030965500000000 ] - [ -0.0001293200000000, -0.0003218100000000, -0.0017360800000000 ] - [ 0.0003433600000000, 0.0000489100000000, -0.0017360800000000 ] - [ -0.0002140400000000, 0.0002729100000000, -0.0017360800000000 ] - [ -0.0000011300000000, -0.0000010400000000, -0.0020657600000000 ] - [ -0.0000003300000000, 0.0000015000000000, -0.0020657600000000 ] - [ 0.0000014600000000, -0.0000004600000000, -0.0020657600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0020483700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.4683896400000000 ] - [ -0.0001278500000000, 0.0011834700000000, 0.0071886000000000 ] - [ -0.0009609800000000, -0.0007024600000000, 0.0071886000000000 ] - [ 0.0010888400000000, -0.0004810100000000, 0.0071886000000000 ] - [ 0.0008819700000000, 0.0006659600000000, -0.0023965400000000 ] - [ -0.0010177200000000, 0.0004308300000000, -0.0023965400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001690200000000 ] - [ 0.0001357500000000, -0.0010967900000000, -0.0023965400000000 ] - [ 0.0002089700000000, -0.0000506700000000, -0.0018247900000000 ] - [ -0.0001483600000000, -0.0001556400000000, -0.0018247900000000 ] - [ -0.0000606100000000, 0.0002063100000000, -0.0018247900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0018072500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0018416800000000 ] - [ 0.0000003800000000, -0.0000022300000000, -0.0018380300000000 ] - [ 0.0000017400000000, 0.0000014400000000, -0.0018380300000000 ] - [ -0.0000021200000000, 0.0000007900000000, -0.0018380300000000 ] - [ -0.0000140200000000, -0.0000089700000000, -0.0018039200000000 ] - [ 0.0000147800000000, -0.0000076600000000, -0.0018039200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0018156300000000 ] - [ -0.0000007600000000, 0.0000166300000000, -0.0018039200000000 ] - [ -0.0025801500000000, 0.0001377800000000, -0.0021040500000000 ] - [ 0.0014093900000000, 0.0021655900000000, -0.0021040500000000 ] - [ 0.0011707600000000, -0.0023033700000000, -0.0021040500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011917200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.5269721900000000 ] - [ 0.0000435300000000, -0.0004212800000000, -0.0048438600000000 ] - [ 0.0003430800000000, 0.0002483400000000, -0.0048438600000000 ] - [ -0.0003866000000000, 0.0001729500000000, -0.0048438600000000 ] - [ 0.0131884800000000, 0.0103253800000000, 0.0205699500000000 ] - [ -0.0021883000000000, -0.0005795200000000, -0.0020272400000000 ] - [ -0.0002994500000000, -0.0002264300000000, -0.0017158200000000 ] - [ -0.0022493900000000, -0.0018722900000000, -0.0023868100000000 ] - [ -0.0019115000000000, -0.0011627700000000, 0.0022888300000000 ] - [ 0.0019627400000000, -0.0010740200000000, 0.0022888300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007572700000000 ] - [ -0.0000512400000000, 0.0022367900000000, 0.0022888300000000 ] - [ -0.0155362800000000, 0.0062588700000000, 0.0205699500000000 ] - [ 0.0027461500000000, -0.0010118800000000, -0.0023868100000000 ] - [ 0.0015960300000000, -0.0016053600000000, -0.0020272400000000 ] - [ 0.0003458100000000, -0.0001461100000000, -0.0017158200000000 ] - [ 0.0001188800000000, 0.0001965000000000, 0.0009652100000000 ] - [ -0.0007665900000000, 0.0004376000000000, 0.0008818200000000 ] - [ -0.0006716000000000, 0.0004656400000000, 0.0008473300000000 ] - [ 0.0000993500000000, 0.0002171500000000, 0.0002320700000000 ] - [ 0.0023478000000000, -0.0165842500000000, 0.0205699500000000 ] - [ -0.0000463700000000, 0.0003725400000000, -0.0017158200000000 ] - [ -0.0004967600000000, 0.0028841800000000, -0.0023868100000000 ] - [ 0.0005922700000000, 0.0021848800000000, -0.0020272400000000 ] - [ -0.0002296100000000, 0.0000047000000000, 0.0009652100000000 ] - [ -0.0002377300000000, -0.0000225400000000, 0.0002320700000000 ] - [ 0.0000043200000000, -0.0008826900000000, 0.0008818200000000 ] - [ -0.0000674600000000, -0.0008144500000000, 0.0008473300000000 ] - [ 0.0001107300000000, -0.0002012000000000, 0.0009652100000000 ] - [ 0.0007390600000000, 0.0003488000000000, 0.0008473300000000 ] - [ 0.0001383800000000, -0.0001946100000000, 0.0002320700000000 ] - [ 0.0007622700000000, 0.0004450900000000, 0.0008818200000000 ] - [ -0.0000375700000000, 0.0000119200000000, 0.0003219100000000 ] - [ 0.0000291100000000, 0.0000265800000000, 0.0003219100000000 ] - [ 0.0000084600000000, -0.0000385000000000, 0.0003219100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003281300000000 ] - [ 0.0001012100000000, 0.0004245900000000, 0.0006459100000000 ] - [ 0.0003023300000000, 0.0004817600000000, 0.0007949300000000 ] - [ 0.0001672100000000, 0.0002976400000000, 0.0006176800000000 ] - [ 0.0002162700000000, 0.0003965600000000, 0.0007094200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0019370700000000 ] - [ -0.0000000200000000, 0.0000005400000000, 0.0019313900000000 ] - [ -0.0000004600000000, -0.0000002900000000, 0.0019313900000000 ] - [ 0.0000004800000000, -0.0000002500000000, 0.0019313900000000 ] - [ -0.0005683800000000, 0.0000209400000000, 0.0007949300000000 ] - [ -0.0003413700000000, -0.0000040100000000, 0.0006176800000000 ] - [ -0.0004183100000000, -0.0001246500000000, 0.0006459100000000 ] - [ -0.0004515600000000, -0.0000109800000000, 0.0007094200000000 ] - [ -0.0003369900000000, 0.0003466900000000, 0.0007505500000000 ] - [ -0.0003347200000000, 0.0003482000000000, 0.0007503400000000 ] - [ -0.0003369300000000, 0.0003466500000000, 0.0007504500000000 ] - [ -0.0003332800000000, 0.0003470100000000, 0.0007489800000000 ] - [ 0.0001741600000000, -0.0002936300000000, 0.0006176800000000 ] - [ 0.0003171000000000, -0.0002999400000000, 0.0006459100000000 ] - [ 0.0002660500000000, -0.0005027000000000, 0.0007949300000000 ] - [ 0.0002352900000000, -0.0003855800000000, 0.0007094200000000 ] - [ -0.0001317500000000, -0.0004651900000000, 0.0007505500000000 ] - [ -0.0001338700000000, -0.0004621300000000, 0.0007489800000000 ] - [ -0.0001341900000000, -0.0004639700000000, 0.0007503400000000 ] - [ -0.0001317400000000, -0.0004651200000000, 0.0007504500000000 ] - [ 0.0004687400000000, 0.0001185000000000, 0.0007505500000000 ] - [ 0.0004686800000000, 0.0001184700000000, 0.0007504500000000 ] - [ 0.0004671600000000, 0.0001151300000000, 0.0007489800000000 ] - [ 0.0004689100000000, 0.0001157800000000, 0.0007503400000000 ] - [ 0.0000282000000000, 0.0000175800000000, 0.0003092200000000 ] - [ -0.0000293200000000, 0.0000156300000000, 0.0003092200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003146000000000 ] - [ 0.0000011200000000, -0.0000332100000000, 0.0003092200000000 ] - [ 0.0001967400000000, 0.0003944600000000, 0.0006950800000000 ] - [ 0.0002005400000000, 0.0004014200000000, 0.0006977000000000 ] - [ 0.0001963700000000, 0.0003969700000000, 0.0006945500000000 ] - [ 0.0002046500000000, 0.0004042600000000, 0.0006936100000000 ] - [ 0.0004229400000000, -0.0000759600000000, 0.0020504000000000 ] - [ -0.0002772500000000, -0.0003282900000000, 0.0020504000000000 ] - [ -0.0001456900000000, 0.0004042500000000, 0.0020504000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014800500000000 ] - [ -0.0004479100000000, -0.0000270300000000, 0.0006977000000000 ] - [ -0.0004419700000000, -0.0000284300000000, 0.0006945500000000 ] - [ -0.0004399800000000, -0.0000268500000000, 0.0006950800000000 ] - [ -0.0004524300000000, -0.0000249000000000, 0.0006936100000000 ] - [ 0.0009635700000000, -0.0001297700000000, -0.0003840500000000 ] - [ -0.0015519300000000, -0.0005848900000000, 0.0013647500000000 ] - [ -0.0000356700000000, 0.0015102200000000, 0.0015727300000000 ] - [ -0.0002219000000000, 0.0003289800000000, 0.0000581900000000 ] - [ 0.0002456000000000, -0.0003685400000000, 0.0006945500000000 ] - [ 0.0002432500000000, -0.0003676100000000, 0.0006950800000000 ] - [ 0.0002473600000000, -0.0003743800000000, 0.0006977000000000 ] - [ 0.0002477800000000, -0.0003793700000000, 0.0006936100000000 ] - [ 0.0012824900000000, -0.0010515600000000, 0.0013647500000000 ] - [ -0.0012900600000000, -0.0007860000000000, 0.0015727300000000 ] - [ -0.0003694000000000, 0.0008993600000000, -0.0003840500000000 ] - [ -0.0001739500000000, -0.0003566600000000, 0.0000581900000000 ] - [ 0.0013257300000000, -0.0007242200000000, 0.0015727300000000 ] - [ -0.0005941700000000, -0.0007695900000000, -0.0003840500000000 ] - [ 0.0002694400000000, 0.0016364500000000, 0.0013647500000000 ] - [ 0.0003958500000000, 0.0000276800000000, 0.0000581900000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0022184700000000, 0.0013202200000000, -0.0020290700000000 ] - [ 0.0022525700000000, 0.0012611400000000, -0.0020290700000000 ] - [ -0.0000341100000000, -0.0025813600000000, -0.0020290700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0019684000000000 ] - [ -0.0000017800000000, -0.0000000900000000, 0.0008779300000000 ] - [ 0.0000009600000000, -0.0000015000000000, 0.0008779300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008697600000000 ] - [ 0.0000008200000000, 0.0000015800000000, 0.0008779300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009784500000000 ] - [ -0.0000212700000000, 0.0000749300000000, 0.0008402600000000 ] - [ -0.0000542600000000, -0.0000558900000000, 0.0008402600000000 ] - [ 0.0000755300000000, -0.0000190500000000, 0.0008402600000000 ] - [ 0.0118523700000000, 0.0017770400000000, 0.0033655900000000 ] - [ -0.0074651400000000, 0.0093759400000000, 0.0033655900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0027223900000000 ] - [ -0.0043872300000000, -0.0111529700000000, 0.0033655900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0031103800000000 ] - [ 0.0001293300000000, 0.0003216500000000, 0.0017524000000000 ] - [ -0.0003432200000000, -0.0000488200000000, 0.0017524000000000 ] - [ 0.0002138900000000, -0.0002728300000000, 0.0017524000000000 ] - [ 0.0000010100000000, 0.0000012600000000, 0.0020578300000000 ] - [ 0.0000005800000000, -0.0000015000000000, 0.0020578300000000 ] - [ -0.0000015900000000, 0.0000002400000000, 0.0020578300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0020400400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.4990588200000000 ] - [ 0.0001185200000000, -0.0011901200000000, -0.0071689900000000 ] - [ 0.0009714100000000, 0.0006977000000000, -0.0071689900000000 ] - [ -0.0010899300000000, 0.0004924200000000, -0.0071689900000000 ] - [ -0.0008801600000000, -0.0006651600000000, 0.0023588900000000 ] - [ 0.0010161300000000, -0.0004296600000000, 0.0023588900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001296200000000 ] - [ -0.0001359700000000, 0.0010948300000000, 0.0023588900000000 ] - [ -0.0002090500000000, 0.0000510300000000, 0.0018427900000000 ] - [ 0.0001487200000000, 0.0001555200000000, 0.0018427900000000 ] - [ 0.0000603300000000, -0.0002065600000000, 0.0018427900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0018251600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0018276200000000 ] - [ -0.0000007400000000, 0.0000017600000000, 0.0018255000000000 ] - [ -0.0000011500000000, -0.0000015200000000, 0.0018255000000000 ] - [ 0.0000018900000000, -0.0000002400000000, 0.0018255000000000 ] - [ 0.0000142200000000, 0.0000090200000000, 0.0018502600000000 ] - [ -0.0000149200000000, 0.0000078000000000, 0.0018502600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0018624400000000 ] - [ 0.0000007000000000, -0.0000168300000000, 0.0018502600000000 ] - [ 0.0025905700000000, -0.0001328400000000, 0.0020646800000000 ] - [ -0.0014103200000000, -0.0021770800000000, 0.0020646800000000 ] - [ -0.0011802400000000, 0.0023099200000000, 0.0020646800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011488800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.5568796100000000 ] - [ -0.0000423400000000, 0.0004221400000000, 0.0032284200000000 ] - [ -0.0003444100000000, -0.0002477400000000, 0.0032284200000000 ] - [ 0.0003867500000000, -0.0001744000000000, 0.0032284200000000 ] - [ -0.0136355000000000, -0.0102438900000000, -0.0209284000000000 ] - [ 0.0019371300000000, 0.0008651300000000, 0.0019878800000000 ] - [ 0.0000336800000000, 0.0005113100000000, 0.0016698300000000 ] - [ 0.0019908600000000, 0.0021522500000000, 0.0023505800000000 ] - [ 0.0019055500000000, 0.0011591600000000, -0.0006639800000000 ] - [ -0.0019566400000000, 0.0010706700000000, -0.0006639800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008727800000000 ] - [ 0.0000510900000000, -0.0022298400000000, -0.0006639800000000 ] - [ 0.0156892200000000, -0.0066867500000000, -0.0209284000000000 ] - [ -0.0028593300000000, 0.0006480100000000, 0.0023505800000000 ] - [ -0.0017177900000000, 0.0012450400000000, 0.0019878800000000 ] - [ -0.0004596400000000, -0.0002264900000000, 0.0016698300000000 ] - [ -0.0000110100000000, 0.0001747200000000, -0.0009125400000000 ] - [ 0.0008727900000000, -0.0000661500000000, -0.0008296500000000 ] - [ 0.0007783000000000, -0.0000944600000000, -0.0007951200000000 ] - [ 0.0000095200000000, 0.0001544200000000, -0.0001803200000000 ] - [ -0.0020537100000000, 0.0169306300000000, -0.0209284000000000 ] - [ 0.0004259600000000, -0.0002848200000000, 0.0016698300000000 ] - [ 0.0008684700000000, -0.0028002600000000, 0.0023505800000000 ] - [ -0.0002193400000000, -0.0021101700000000, 0.0019878800000000 ] - [ -0.0001458000000000, -0.0000969000000000, -0.0009125400000000 ] - [ -0.0001384900000000, -0.0000689700000000, -0.0001803200000000 ] - [ -0.0003791100000000, 0.0007889300000000, -0.0008296500000000 ] - [ -0.0003073400000000, 0.0007212600000000, -0.0007951200000000 ] - [ 0.0001568200000000, -0.0000778200000000, -0.0009125400000000 ] - [ -0.0004709500000000, -0.0006268000000000, -0.0007951200000000 ] - [ 0.0001289800000000, -0.0000854500000000, -0.0001803200000000 ] - [ -0.0004936800000000, -0.0007227900000000, -0.0008296500000000 ] - [ 0.0000379400000000, -0.0000117300000000, -0.0019204600000000 ] - [ -0.0000291300000000, -0.0000269900000000, -0.0019204600000000 ] - [ -0.0000088100000000, 0.0000387200000000, -0.0019204600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0019267100000000 ] - [ -0.0003735600000000, -0.0001467400000000, -0.0007051000000000 ] - [ -0.0005746100000000, -0.0002024500000000, -0.0008540400000000 ] - [ -0.0004395300000000, -0.0000178400000000, -0.0006770900000000 ] - [ -0.0004889400000000, -0.0001197300000000, -0.0007685200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003399400000000 ] - [ 0.0000004600000000, -0.0000011500000000, -0.0003341100000000 ] - [ 0.0000007700000000, 0.0000009700000000, -0.0003341100000000 ] - [ -0.0000012300000000, 0.0000001800000000, -0.0003341100000000 ] - [ 0.0004626300000000, -0.0003964000000000, -0.0008540400000000 ] - [ 0.0002352200000000, -0.0003717200000000, -0.0006770900000000 ] - [ 0.0003138600000000, -0.0002501400000000, -0.0007051000000000 ] - [ 0.0003481600000000, -0.0003635700000000, -0.0007685200000000 ] - [ 0.0004415700000000, 0.0000275500000000, -0.0006936100000000 ] - [ 0.0004441200000000, 0.0000273300000000, -0.0006935200000000 ] - [ 0.0004423700000000, 0.0000277300000000, -0.0006934500000000 ] - [ 0.0004424600000000, 0.0000287900000000, -0.0006921300000000 ] - [ 0.0002043100000000, 0.0003895700000000, -0.0006770900000000 ] - [ 0.0000597000000000, 0.0003968800000000, -0.0007051000000000 ] - [ 0.0001119800000000, 0.0005988500000000, -0.0008540400000000 ] - [ 0.0001407800000000, 0.0004833000000000, -0.0007685200000000 ] - [ -0.0002446500000000, 0.0003686400000000, -0.0006936100000000 ] - [ -0.0002461700000000, 0.0003687900000000, -0.0006921300000000 ] - [ -0.0002457300000000, 0.0003709600000000, -0.0006935200000000 ] - [ -0.0002452000000000, 0.0003692400000000, -0.0006934500000000 ] - [ -0.0001969200000000, -0.0003961900000000, -0.0006936100000000 ] - [ -0.0001971700000000, -0.0003969700000000, -0.0006934500000000 ] - [ -0.0001963000000000, -0.0003975800000000, -0.0006921300000000 ] - [ -0.0001984000000000, -0.0003982900000000, -0.0006935200000000 ] - [ -0.0000282400000000, -0.0000180600000000, -0.0019391700000000 ] - [ 0.0000297600000000, -0.0000154300000000, -0.0019391700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0019447500000000 ] - [ -0.0000015100000000, 0.0000334900000000, -0.0019391700000000 ] - [ -0.0004658000000000, -0.0001144100000000, -0.0007501100000000 ] - [ -0.0004694600000000, -0.0001210100000000, -0.0007527000000000 ] - [ -0.0004657000000000, -0.0001190000000000, -0.0007494100000000 ] - [ -0.0004740400000000, -0.0001252000000000, -0.0007487100000000 ] - [ -0.0004242400000000, 0.0000752800000000, -0.0004268600000000 ] - [ 0.0002773100000000, 0.0003297700000000, -0.0004268600000000 ] - [ 0.0001469300000000, -0.0004050400000000, -0.0004268600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001478300000000 ] - [ 0.0003395300000000, -0.0003460600000000, -0.0007527000000000 ] - [ 0.0003359100000000, -0.0003438100000000, -0.0007494100000000 ] - [ 0.0003319800000000, -0.0003461900000000, -0.0007501100000000 ] - [ 0.0003454500000000, -0.0003479300000000, -0.0007487100000000 ] - [ -0.0008552900000000, 0.0005040200000000, 0.0004411900000000 ] - [ 0.0016686100000000, 0.0009568900000000, -0.0013151300000000 ] - [ 0.0001490000000000, -0.0011489700000000, -0.0015324200000000 ] - [ 0.0003350200000000, 0.0000434300000000, -0.0000032600000000 ] - [ 0.0001298000000000, 0.0004628100000000, -0.0007494100000000 ] - [ 0.0001338200000000, 0.0004606000000000, -0.0007501100000000 ] - [ 0.0001299300000000, 0.0004670700000000, -0.0007527000000000 ] - [ 0.0001285900000000, 0.0004731300000000, -0.0007487100000000 ] - [ -0.0016629900000000, 0.0009666100000000, -0.0013151300000000 ] - [ 0.0009205400000000, 0.0007035300000000, -0.0015324200000000 ] - [ -0.0000088500000000, -0.0009927100000000, 0.0004411900000000 ] - [ -0.0002051200000000, 0.0002684200000000, -0.0000032600000000 ] - [ -0.0010695400000000, 0.0004454400000000, -0.0015324200000000 ] - [ 0.0008641400000000, 0.0004886900000000, 0.0004411900000000 ] - [ -0.0000056100000000, -0.0019235000000000, -0.0013151300000000 ] - [ -0.0001299000000000, -0.0003118500000000, -0.0000032600000000 ]- atom: 53 displacement: [ 0.0100000000000000, 0.0000000002713277, 0.0000000000000000 ] forces: - [ 0.0016172000000000, 0.0000144600000000, 0.0001926500000000 ] - [ -0.0017224100000000, -0.0011862300000000, -0.0006306700000000 ] - [ 0.0008514900000000, 0.0016974300000000, -0.0007350800000000 ] - [ -0.0007425900000000, -0.0002632100000000, 0.0007255300000000 ] - [ 0.0000002800000000, -0.0000001100000000, -0.0002566200000000 ] - [ -0.0000004400000000, 0.0000011900000000, -0.0002582900000000 ] - [ -0.0000006700000000, -0.0000005000000000, -0.0002560400000000 ] - [ 0.0000005500000000, -0.0000006500000000, -0.0002585800000000 ] - [ 0.0005028400000000, 0.0000431000000000, -0.0001709200000000 ] - [ -0.0004456800000000, -0.0000051500000000, -0.0001916000000000 ] - [ 0.0000712800000000, 0.0002240700000000, -0.0001827200000000 ] - [ -0.0000947000000000, -0.0003214800000000, -0.0003403200000000 ] - [ 0.0779110700000000, 0.0047552700000000, 0.0504443900000000 ] - [ -0.0155762900000000, 0.0119391800000000, 0.0140023800000000 ] - [ 0.0006559100000000, 0.0009650300000000, 0.0005233700000000 ] - [ -0.0020030400000000, -0.0072930000000000, 0.0052998500000000 ] - [ 0.0001436100000000, 0.0000445100000000, -0.0008735100000000 ] - [ -0.0001577700000000, -0.0000190600000000, -0.0004661800000000 ] - [ 0.0001212400000000, 0.0000188400000000, -0.0006099200000000 ] - [ -0.0001133200000000, -0.0000358400000000, -0.0004687600000000 ] - [ 0.0000185400000000, 0.0000176900000000, -0.0006530900000000 ] - [ -0.0000141200000000, -0.0000197200000000, -0.0005647000000000 ] - [ 0.0000381700000000, -0.0000058600000000, -0.0006188600000000 ] - [ -0.0000390300000000, 0.0000058700000000, -0.0006038800000000 ] - [ 0.0963604900000000, 0.0738228700000000, 0.0491838800000000 ] - [ -0.0171031000000000, -0.0033168600000000, 0.0048541300000000 ] - [ -0.0012166600000000, 0.0055502000000000, 0.0001686100000000 ] - [ 0.0061993300000000, -0.0146709200000000, 0.0051193000000000 ] - [ 0.0002661200000000, 0.0001870300000000, -0.0002377600000000 ] - [ -0.0002840800000000, 0.0000725200000000, -0.0009987400000000 ] - [ 0.0000261700000000, 0.0000633100000000, -0.0001859500000000 ] - [ -0.0000130500000000, -0.0003186400000000, -0.0010329500000000 ] - [ 0.0000584600000000, 0.0000290700000000, -0.0004692400000000 ] - [ -0.0000446800000000, -0.0000522800000000, -0.0004820500000000 ] - [ 0.0000249900000000, 0.0000577100000000, -0.0004709200000000 ] - [ -0.0000222100000000, -0.0000340100000000, -0.0004665600000000 ] - [ 0.0000106000000000, 0.0000077700000000, -0.0006047100000000 ] - [ -0.0000189600000000, -0.0000063700000000, -0.0006048300000000 ] - [ -0.0000029500000000, 0.0000097000000000, -0.0006037800000000 ] - [ -0.0000036100000000, -0.0000104900000000, -0.0006054800000000 ] - [ 0.0000014500000000, -0.0000270700000000, -0.0005851400000000 ] - [ 0.0000044100000000, 0.0000365500000000, -0.0003380700000000 ] - [ -0.0000491700000000, -0.0000193400000000, -0.0004882100000000 ] - [ 0.0000530400000000, 0.0000094700000000, -0.0004269600000000 ] - [ -0.0031516300000000, 0.0097490300000000, 0.0006783600000000 ] - [ -0.0010033300000000, -0.0040488600000000, 0.0017067200000000 ] - [ 0.0138938700000000, 0.0053288400000000, 0.0008356600000000 ] - [ -0.0039063000000000, -0.0021818400000000, -0.0005432000000000 ] - [ -0.0001745200000000, 0.0153635700000000, 0.0125481300000000 ] - [ 0.0027956600000000, 0.0000341100000000, -0.0029216300000000 ] - [ 0.0002513600000000, -0.0009096000000000, -0.0010438700000000 ] - [ -0.0006822300000000, 0.0022157900000000, -0.0029867200000000 ] - [ -0.2330481300000000, -0.1251768900000000, -0.1294173500000000 ] - [ 0.0070803400000000, 0.0021879100000000, 0.0012037000000000 ] - [ -0.0018575500000000, -0.0020988500000000, -0.0012719500000000 ] - [ 0.0017211800000000, 0.0056272500000000, 0.0004325100000000 ] - [ -0.0004849900000000, -0.0002697000000000, 0.0008574400000000 ] - [ 0.0005204400000000, -0.0002022300000000, 0.0014842000000000 ] - [ -0.0000582300000000, -0.0000546500000000, 0.0008868300000000 ] - [ 0.0000408600000000, 0.0006485500000000, 0.0015067100000000 ] - [ 0.0408218800000000, 0.0183365700000000, -0.0018027600000000 ] - [ 0.0229895800000000, -0.0044128800000000, -0.0030135800000000 ] - [ 0.0018449300000000, -0.0002929700000000, -0.0011432400000000 ] - [ -0.0026827100000000, 0.0018942900000000, 0.0003619300000000 ] - [ -0.0000245800000000, 0.0002134300000000, 0.0003661800000000 ] - [ -0.0000321300000000, 0.0002048500000000, 0.0001146900000000 ] - [ -0.0001833500000000, 0.0002651600000000, 0.0003438700000000 ] - [ 0.0000498000000000, 0.0002191000000000, 0.0001113100000000 ] - [ -0.0058973800000000, 0.0084784900000000, -0.0028363100000000 ] - [ 0.0045668000000000, -0.0012900800000000, -0.0004389000000000 ] - [ 0.0041151300000000, -0.0058366000000000, 0.0002744800000000 ] - [ 0.0052844100000000, 0.0146519500000000, -0.0016623000000000 ] - [ -0.0002037500000000, -0.0001075600000000, 0.0003786500000000 ] - [ -0.0001799900000000, -0.0000874600000000, 0.0001017500000000 ] - [ -0.0001185600000000, -0.0003038200000000, 0.0003484400000000 ] - [ -0.0001917900000000, -0.0001173700000000, 0.0001152400000000 ] - [ 0.0000093900000000, -0.0002587900000000, 0.0001434900000000 ] - [ 0.0003935400000000, 0.0000477800000000, 0.0003540500000000 ] - [ 0.0001091500000000, -0.0001831300000000, 0.0001135900000000 ] - [ 0.0003960700000000, 0.0001117300000000, 0.0003513700000000 ] - [ -0.0000110800000000, -0.0000045400000000, -0.0005372600000000 ] - [ 0.0000096100000000, 0.0000089100000000, -0.0005289300000000 ] - [ -0.0000044300000000, -0.0000096900000000, -0.0005368200000000 ] - [ 0.0000054800000000, 0.0000053300000000, -0.0005333500000000 ] - [ -0.0000732700000000, 0.0001976200000000, 0.0001438000000000 ] - [ 0.0000016800000000, 0.0002436400000000, 0.0002255000000000 ] - [ -0.0000636700000000, 0.0001950500000000, 0.0001429700000000 ] - [ -0.0000092400000000, 0.0002319900000000, 0.0002078600000000 ] - [ -0.0000032200000000, -0.0000014600000000, 0.0011986200000000 ] - [ 0.0000031500000000, 0.0000007700000000, 0.0011986600000000 ] - [ -0.0000006400000000, -0.0000019900000000, 0.0011972600000000 ] - [ 0.0000002000000000, 0.0000021500000000, 0.0011993000000000 ] - [ -0.0002159700000000, -0.0001450100000000, 0.0002024300000000 ] - [ -0.0001384900000000, -0.0001258000000000, 0.0001686300000000 ] - [ -0.0001890900000000, -0.0001598200000000, 0.0001855500000000 ] - [ -0.0001528900000000, -0.0001210500000000, 0.0001740800000000 ] - [ -0.0000656600000000, 0.0002310000000000, 0.0002487900000000 ] - [ -0.0000451100000000, 0.0002316700000000, 0.0002347300000000 ] - [ -0.0000570100000000, 0.0002266500000000, 0.0002399100000000 ] - [ -0.0000541700000000, 0.0002370400000000, 0.0002447400000000 ] - [ 0.0001818000000000, -0.0000814900000000, 0.0001783400000000 ] - [ 0.0002269200000000, -0.0000584400000000, 0.0001751900000000 ] - [ 0.0001882500000000, -0.0001039800000000, 0.0001967200000000 ] - [ 0.0002220300000000, -0.0000725800000000, 0.0001733900000000 ] - [ -0.0001779000000000, -0.0001674800000000, 0.0002436400000000 ] - [ -0.0001636600000000, -0.0001665200000000, 0.0002442000000000 ] - [ -0.0001716900000000, -0.0001705100000000, 0.0002459300000000 ] - [ -0.0001706500000000, -0.0001605200000000, 0.0002402200000000 ] - [ 0.0002220100000000, -0.0000684800000000, 0.0002357700000000 ] - [ 0.0002402300000000, -0.0000630600000000, 0.0002519000000000 ] - [ 0.0002273500000000, -0.0000708900000000, 0.0002374700000000 ] - [ 0.0002346900000000, -0.0000604700000000, 0.0002504300000000 ] - [ 0.0000115700000000, 0.0000428600000000, -0.0004439700000000 ] - [ -0.0000193600000000, -0.0000722800000000, -0.0006449300000000 ] - [ 0.0001101700000000, 0.0000089600000000, -0.0005293000000000 ] - [ -0.0000972300000000, 0.0000051100000000, -0.0005786100000000 ] - [ -0.0000621200000000, 0.0001945800000000, 0.0001747000000000 ] - [ -0.0000074600000000, 0.0002441600000000, 0.0001867400000000 ] - [ -0.0000717300000000, 0.0001826900000000, 0.0001444600000000 ] - [ 0.0000034300000000, 0.0002511000000000, 0.0002229500000000 ] - [ 0.0007960100000000, -0.0022113700000000, 0.0020737300000000 ] - [ 0.0001607300000000, 0.0006331900000000, 0.0001508500000000 ] - [ -0.0027452700000000, -0.0009033000000000, 0.0010098500000000 ] - [ 0.0007610100000000, 0.0004169900000000, 0.0011395200000000 ] - [ -0.0001558000000000, -0.0001422800000000, 0.0001929900000000 ] - [ -0.0001898900000000, -0.0001297100000000, 0.0001741800000000 ] - [ -0.0002155300000000, -0.0001256700000000, 0.0002223900000000 ] - [ -0.0001364400000000, -0.0001482000000000, 0.0001475700000000 ] - [ 0.0017754800000000, -0.0014717200000000, -0.0006630000000000 ] - [ 0.0003189900000000, 0.0016061700000000, -0.0013596200000000 ] - [ -0.0064032200000000, 0.0034817000000000, 0.0052925200000000 ] - [ 0.0025114500000000, -0.0001964600000000, -0.0010518500000000 ] - [ 0.0002094300000000, -0.0001016100000000, 0.0002254500000000 ] - [ 0.0002019500000000, -0.0000668700000000, 0.0001439200000000 ] - [ 0.0002035700000000, -0.0000857900000000, 0.0001935700000000 ] - [ 0.0002023200000000, -0.0000719600000000, 0.0001707000000000 ] - [ 0.0025530600000000, -0.0086584900000000, 0.0047896900000000 ] - [ 0.0012389600000000, 0.0017862400000000, -0.0025667400000000 ] - [ -0.0017343000000000, -0.0004108600000000, -0.0003269300000000 ] - [ 0.0005337000000000, 0.0013261800000000, -0.0001742600000000 ] - [ -0.0019338300000000, -0.0021463800000000, -0.0020159300000000 ] - [ 0.0013390500000000, 0.0013213400000000, 0.0005763400000000 ] - [ -0.0021826000000000, -0.0056729100000000, -0.0079574200000000 ] - [ 0.0047563800000000, 0.0014053500000000, 0.0030202700000000 ]- atom: 53 displacement: [ -0.0100000000000000, -0.0000000002713277, 0.0000000000000000 ] forces: - [ -0.0016353200000000, -0.0000119200000000, -0.0001925100000000 ] - [ 0.0017409500000000, 0.0011929600000000, 0.0006286600000000 ] - [ -0.0008489200000000, -0.0017138000000000, 0.0007415600000000 ] - [ 0.0007461500000000, 0.0002682600000000, -0.0007352700000000 ] - [ -0.0000002800000000, 0.0000001600000000, 0.0002586700000000 ] - [ 0.0000004300000000, -0.0000012000000000, 0.0002603400000000 ] - [ 0.0000006600000000, 0.0000005100000000, 0.0002580900000000 ] - [ -0.0000005200000000, 0.0000006200000000, 0.0002606500000000 ] - [ -0.0005026600000000, -0.0000440000000000, 0.0001721800000000 ] - [ 0.0004451100000000, 0.0000025900000000, 0.0001951800000000 ] - [ -0.0000698400000000, -0.0002213100000000, 0.0001839600000000 ] - [ 0.0000935500000000, 0.0003228100000000, 0.0003435200000000 ] - [ -0.0820549400000000, -0.0054821800000000, -0.0542497900000000 ] - [ 0.0156283500000000, -0.0119156700000000, -0.0139837600000000 ] - [ -0.0006664300000000, -0.0009933500000000, -0.0005123800000000 ] - [ 0.0020675600000000, 0.0074208700000000, -0.0054220700000000 ] - [ -0.0001461200000000, -0.0000436400000000, 0.0008921700000000 ] - [ 0.0001571100000000, 0.0000209700000000, 0.0004807900000000 ] - [ -0.0001240700000000, -0.0000176900000000, 0.0006257900000000 ] - [ 0.0001126000000000, 0.0000369000000000, 0.0004838600000000 ] - [ -0.0000168800000000, -0.0000191000000000, 0.0006446600000000 ] - [ 0.0000158900000000, 0.0000185900000000, 0.0005566800000000 ] - [ -0.0000367400000000, 0.0000047400000000, 0.0006107400000000 ] - [ 0.0000410300000000, -0.0000069300000000, 0.0005959700000000 ] - [ -0.0947743700000000, -0.0699816100000000, -0.0471053400000000 ] - [ 0.0172420400000000, 0.0033282100000000, -0.0047553000000000 ] - [ 0.0011825400000000, -0.0055381300000000, -0.0000214600000000 ] - [ -0.0062755900000000, 0.0148171300000000, -0.0050199800000000 ] - [ -0.0002730700000000, -0.0001891800000000, 0.0000801000000000 ] - [ 0.0002826400000000, -0.0000739200000000, 0.0008442000000000 ] - [ -0.0000305200000000, -0.0000650600000000, 0.0000243100000000 ] - [ 0.0000083300000000, 0.0003205700000000, 0.0008788000000000 ] - [ -0.0000521500000000, -0.0000295100000000, 0.0006062700000000 ] - [ 0.0000525100000000, 0.0000520100000000, 0.0006188600000000 ] - [ -0.0000175000000000, -0.0000586300000000, 0.0006076700000000 ] - [ 0.0000297900000000, 0.0000342200000000, 0.0006034400000000 ] - [ -0.0000180300000000, -0.0000073400000000, 0.0004755600000000 ] - [ 0.0000120700000000, 0.0000066400000000, 0.0004759300000000 ] - [ -0.0000042800000000, -0.0000093200000000, 0.0004754600000000 ] - [ -0.0000037900000000, 0.0000111200000000, 0.0004769200000000 ] - [ 0.0000028100000000, 0.0000273500000000, 0.0007487400000000 ] - [ 0.0000003400000000, -0.0000357900000000, 0.0005016800000000 ] - [ 0.0000531300000000, 0.0000200100000000, 0.0006505300000000 ] - [ -0.0000483400000000, -0.0000085000000000, 0.0005899900000000 ] - [ 0.0031453100000000, -0.0097835500000000, -0.0008031900000000 ] - [ 0.0010322500000000, 0.0040403800000000, -0.0018570100000000 ] - [ -0.0139574400000000, -0.0053507300000000, -0.0009910500000000 ] - [ 0.0039303400000000, 0.0022210000000000, 0.0003995200000000 ] - [ -0.0000704800000000, -0.0153280500000000, -0.0142746300000000 ] - [ -0.0028222900000000, -0.0000313000000000, 0.0012037400000000 ] - [ -0.0002470800000000, 0.0009076100000000, -0.0007106200000000 ] - [ 0.0006949700000000, -0.0022346600000000, 0.0012537400000000 ] - [ 0.2354101700000000, 0.1221281500000000, 0.1312565700000000 ] - [ -0.0073779000000000, -0.0019237500000000, -0.0012677300000000 ] - [ 0.0016149400000000, 0.0023931200000000, 0.0012228900000000 ] - [ -0.0020180800000000, -0.0054122300000000, -0.0004966100000000 ] - [ 0.0004904400000000, 0.0002711000000000, 0.0009024700000000 ] - [ -0.0005270500000000, 0.0002043200000000, 0.0002737200000000 ] - [ 0.0000578000000000, 0.0000557100000000, 0.0008760000000000 ] - [ -0.0000409800000000, -0.0006542800000000, 0.0002501900000000 ] - [ -0.0401918500000000, -0.0181858100000000, 0.0017864500000000 ] - [ -0.0236036600000000, 0.0042817700000000, 0.0030371100000000 ] - [ -0.0019455700000000, -0.0001071400000000, 0.0010873600000000 ] - [ 0.0025750600000000, -0.0022583300000000, -0.0004118800000000 ] - [ 0.0001449300000000, 0.0001535400000000, -0.0003131000000000 ] - [ 0.0001541300000000, 0.0001612000000000, -0.0000604500000000 ] - [ 0.0003057300000000, 0.0001005300000000, -0.0002907300000000 ] - [ 0.0000701200000000, 0.0001473000000000, -0.0000559900000000 ] - [ 0.0061754900000000, -0.0087432100000000, 0.0028864300000000 ] - [ -0.0042367100000000, 0.0014186800000000, 0.0003743700000000 ] - [ -0.0037062600000000, 0.0058677200000000, -0.0003166800000000 ] - [ -0.0051177600000000, -0.0149366200000000, 0.0016988000000000 ] - [ -0.0001709600000000, 0.0000248900000000, -0.0003232400000000 ] - [ -0.0001951500000000, 0.0000049400000000, -0.0000437600000000 ] - [ -0.0002567300000000, 0.0002230900000000, -0.0002927400000000 ] - [ -0.0001834200000000, 0.0000355900000000, -0.0000583600000000 ] - [ 0.0002544200000000, -0.0000251700000000, -0.0000855000000000 ] - [ -0.0001323800000000, -0.0003333200000000, -0.0002968600000000 ] - [ 0.0001546400000000, -0.0001005600000000, -0.0000542500000000 ] - [ -0.0001347700000000, -0.0003977600000000, -0.0002943600000000 ] - [ 0.0000113600000000, 0.0000048700000000, -0.0011983900000000 ] - [ -0.0000096100000000, -0.0000087600000000, -0.0012064500000000 ] - [ 0.0000046000000000, 0.0000100300000000, -0.0011984400000000 ] - [ -0.0000053600000000, -0.0000051700000000, -0.0012018900000000 ] - [ -0.0001935100000000, 0.0000850200000000, -0.0002082800000000 ] - [ -0.0002689700000000, 0.0000389100000000, -0.0002906300000000 ] - [ -0.0002032900000000, 0.0000877200000000, -0.0002074900000000 ] - [ -0.0002579200000000, 0.0000494800000000, -0.0002725800000000 ] - [ 0.0000031300000000, 0.0000012200000000, 0.0005316600000000 ] - [ -0.0000033000000000, -0.0000010300000000, 0.0005314800000000 ] - [ 0.0000004900000000, 0.0000017500000000, 0.0005322300000000 ] - [ -0.0000003400000000, -0.0000023900000000, 0.0005305900000000 ] - [ 0.0000993000000000, -0.0002245400000000, -0.0002638400000000 ] - [ 0.0000205200000000, -0.0002440300000000, -0.0002296800000000 ] - [ 0.0000712000000000, -0.0002099500000000, -0.0002468400000000 ] - [ 0.0000352800000000, -0.0002487900000000, -0.0002352500000000 ] - [ 0.0001848000000000, 0.0001382200000000, -0.0001906900000000 ] - [ 0.0001639500000000, 0.0001372100000000, -0.0001766800000000 ] - [ 0.0001763400000000, 0.0001424500000000, -0.0001816900000000 ] - [ 0.0001737200000000, 0.0001322500000000, -0.0001865600000000 ] - [ 0.0001936400000000, 0.0001692800000000, -0.0002423600000000 ] - [ 0.0001474900000000, 0.0001462900000000, -0.0002390900000000 ] - [ 0.0001867300000000, 0.0001923100000000, -0.0002610500000000 ] - [ 0.0001528000000000, 0.0001604400000000, -0.0002373500000000 ] - [ -0.0001968300000000, 0.0000810200000000, -0.0001827100000000 ] - [ -0.0002118800000000, 0.0000804000000000, -0.0001831600000000 ] - [ -0.0002037800000000, 0.0000844800000000, -0.0001846800000000 ] - [ -0.0002047100000000, 0.0000744400000000, -0.0001791900000000 ] - [ 0.0000434400000000, -0.0002148100000000, -0.0001742900000000 ] - [ 0.0000253500000000, -0.0002206700000000, -0.0001902500000000 ] - [ 0.0000382700000000, -0.0002127500000000, -0.0001757600000000 ] - [ 0.0000309100000000, -0.0002235800000000, -0.0001887200000000 ] - [ -0.0000108300000000, -0.0000419200000000, -0.0013190700000000 ] - [ 0.0000191900000000, 0.0000726800000000, -0.0011184000000000 ] - [ -0.0001093700000000, -0.0000087900000000, -0.0012328300000000 ] - [ 0.0000970600000000, -0.0000055000000000, -0.0011839800000000 ] - [ -0.0002017900000000, 0.0000894600000000, -0.0002353800000000 ] - [ -0.0002562000000000, 0.0000403700000000, -0.0002473200000000 ] - [ -0.0001919700000000, 0.0001009600000000, -0.0002050900000000 ] - [ -0.0002672800000000, 0.0000330800000000, -0.0002838800000000 ] - [ -0.0007944000000000, 0.0022110800000000, -0.0003218000000000 ] - [ -0.0001675800000000, -0.0006320900000000, 0.0016091200000000 ] - [ 0.0027547000000000, 0.0009043500000000, 0.0007348100000000 ] - [ -0.0007661300000000, -0.0004253200000000, 0.0006129300000000 ] - [ 0.0000363200000000, -0.0002243700000000, -0.0002496400000000 ] - [ 0.0000702800000000, -0.0002371100000000, -0.0002310800000000 ] - [ 0.0000958000000000, -0.0002413200000000, -0.0002795200000000 ] - [ 0.0000165900000000, -0.0002186000000000, -0.0002044500000000 ] - [ -0.0016426900000000, 0.0018457100000000, 0.0007042100000000 ] - [ -0.0002233000000000, -0.0012379000000000, 0.0014300200000000 ] - [ 0.0066383400000000, -0.0031851300000000, -0.0053557600000000 ] - [ -0.0023997500000000, 0.0005580200000000, 0.0011067000000000 ] - [ 0.0001651800000000, 0.0001856400000000, -0.0002851800000000 ] - [ 0.0001728500000000, 0.0001503700000000, -0.0002032500000000 ] - [ 0.0001715900000000, 0.0001691200000000, -0.0002527800000000 ] - [ 0.0001723400000000, 0.0001554500000000, -0.0002299800000000 ] - [ -0.0028742100000000, 0.0086712700000000, -0.0048294100000000 ] - [ -0.0016207600000000, -0.0018534800000000, 0.0026096700000000 ] - [ 0.0013699300000000, 0.0003280100000000, 0.0003849300000000 ] - [ -0.0009149900000000, -0.0014273700000000, 0.0002346900000000 ] - [ 0.0022085400000000, 0.0018725300000000, 0.0020892600000000 ] - [ -0.0010860100000000, -0.0016087500000000, -0.0005241200000000 ] - [ 0.0024417500000000, 0.0053894500000000, 0.0079832900000000 ] - [ -0.0044964500000000, -0.0017049200000000, -0.0029633800000000 ]- atom: 53 displacement: [ -0.0050000002486690, 0.0086602538942753, 0.0000000000000000 ] forces: - [ 0.0004174900000000, -0.0002878400000000, -0.0006515200000000 ] - [ -0.0003989800000000, -0.0004130800000000, -0.0001003600000000 ] - [ 0.0004529900000000, 0.0000725300000000, 0.0014924100000000 ] - [ -0.0001984300000000, 0.0000929000000000, 0.0001341800000000 ] - [ -0.0000002500000000, 0.0000004900000000, -0.0000433900000000 ] - [ 0.0000004100000000, 0.0000006300000000, -0.0000441300000000 ] - [ 0.0000000100000000, -0.0000007800000000, -0.0000430600000000 ] - [ -0.0000000600000000, -0.0000001200000000, -0.0000441700000000 ] - [ -0.0002077100000000, 0.0003926600000000, -0.0000045500000000 ] - [ 0.0001593000000000, 0.0001366800000000, 0.0000623200000000 ] - [ 0.0002086700000000, -0.0003612200000000, -0.0000449800000000 ] - [ -0.0002220400000000, -0.0002196800000000, -0.0002800500000000 ] - [ -0.0425540300000000, 0.0114644500000000, -0.0273382300000000 ] - [ 0.0070193100000000, 0.0017588500000000, -0.0000874100000000 ] - [ 0.0020484800000000, -0.0052164400000000, -0.0003742800000000 ] - [ -0.0055430900000000, -0.0101057600000000, 0.0089337100000000 ] - [ 0.0000242000000000, 0.0000586700000000, -0.0001720200000000 ] - [ -0.0000373600000000, -0.0000003600000000, -0.0000955600000000 ] - [ 0.0000815600000000, -0.0000174600000000, -0.0000868700000000 ] - [ -0.0000672100000000, -0.0000343300000000, -0.0000404400000000 ] - [ 0.0000157800000000, 0.0000077500000000, -0.0000657600000000 ] - [ 0.0000005000000000, 0.0000227600000000, -0.0001030800000000 ] - [ -0.0000094500000000, -0.0000061100000000, -0.0001558000000000 ] - [ -0.0000029800000000, -0.0000271700000000, -0.0001134100000000 ] - [ 0.0253036100000000, 0.1018206700000000, 0.0329986300000000 ] - [ 0.0054050300000000, 0.0006009800000000, -0.0017384000000000 ] - [ 0.0045218500000000, -0.0041631400000000, 0.0005537400000000 ] - [ -0.0027956100000000, -0.0075151800000000, 0.0013152800000000 ] - [ 0.0000074200000000, 0.0001263200000000, -0.0000526100000000 ] - [ -0.0000025100000000, 0.0000617900000000, -0.0002571200000000 ] - [ 0.0000130500000000, -0.0000928300000000, -0.0000202100000000 ] - [ -0.0000213000000000, -0.0001074100000000, -0.0003730700000000 ] - [ 0.0000225900000000, 0.0000061200000000, -0.0000289700000000 ] - [ -0.0000100800000000, -0.0000139100000000, -0.0000302500000000 ] - [ 0.0000088700000000, 0.0000178100000000, -0.0000174900000000 ] - [ -0.0000064900000000, -0.0000121300000000, -0.0000257100000000 ] - [ -0.0000127300000000, 0.0000104700000000, -0.0001578100000000 ] - [ -0.0000007200000000, 0.0000073800000000, -0.0001573300000000 ] - [ 0.0000066900000000, -0.0000091900000000, -0.0001570300000000 ] - [ -0.0000076600000000, -0.0000074800000000, -0.0001582200000000 ] - [ -0.0000328200000000, 0.0000540600000000, -0.0000357600000000 ] - [ 0.0000279500000000, 0.0000282500000000, -0.0000986200000000 ] - [ 0.0000387200000000, -0.0000561600000000, 0.0000026100000000 ] - [ -0.0000259500000000, -0.0000258000000000, 0.0000845700000000 ] - [ 0.0029700900000000, -0.0027913100000000, 0.0006097000000000 ] - [ -0.0023571900000000, 0.0001596200000000, -0.0001393900000000 ] - [ 0.0043069100000000, -0.0026782200000000, -0.0039849500000000 ] - [ 0.0003225500000000, -0.0004216700000000, -0.0002510800000000 ] - [ 0.0082686300000000, -0.0042040200000000, 0.0013487000000000 ] - [ -0.0008071700000000, -0.0000167500000000, -0.0004681500000000 ] - [ -0.0007500300000000, 0.0008218200000000, -0.0011124700000000 ] - [ 0.0006795000000000, 0.0012667400000000, -0.0015563600000000 ] - [ 0.0090805300000000, -0.1372783800000000, -0.0109952300000000 ] - [ -0.0019752800000000, -0.0010273400000000, -0.0006531000000000 ] - [ -0.0012096600000000, 0.0011911700000000, -0.0002679100000000 ] - [ 0.0037314700000000, 0.0042667000000000, 0.0011946800000000 ] - [ 0.0000244600000000, -0.0002243000000000, 0.0008399500000000 ] - [ 0.0000330300000000, -0.0001822400000000, 0.0010017700000000 ] - [ -0.0000463800000000, 0.0001875500000000, 0.0008333900000000 ] - [ 0.0000463900000000, 0.0001746000000000, 0.0010737200000000 ] - [ -0.0053600900000000, -0.0102004000000000, -0.0010922200000000 ] - [ -0.0115276500000000, -0.0007218400000000, -0.0002019400000000 ] - [ -0.0028209500000000, 0.0033245300000000, 0.0008037800000000 ] - [ 0.0006742100000000, 0.0047353000000000, 0.0004124700000000 ] - [ 0.0000344000000000, 0.0001640500000000, 0.0000784000000000 ] - [ 0.0000792900000000, 0.0001754500000000, 0.0000235000000000 ] - [ -0.0000143000000000, 0.0002200000000000, 0.0001220900000000 ] - [ 0.0000715300000000, 0.0001989200000000, 0.0000267700000000 ] - [ 0.0115863300000000, 0.0355157700000000, -0.0053698000000000 ] - [ -0.0014688600000000, 0.0019957000000000, -0.0002855000000000 ] - [ -0.0044356700000000, 0.0032743500000000, -0.0008453200000000 ] - [ 0.0063218000000000, 0.0055693600000000, -0.0015868300000000 ] - [ -0.0001900300000000, -0.0000719900000000, 0.0001320000000000 ] - [ -0.0002068400000000, -0.0000003900000000, 0.0000234100000000 ] - [ -0.0001819400000000, -0.0001031000000000, 0.0000959600000000 ] - [ -0.0001577700000000, -0.0000775300000000, 0.0000219100000000 ] - [ 0.0000918400000000, -0.0002000000000000, 0.0000453500000000 ] - [ 0.0001650800000000, -0.0001252100000000, 0.0000866200000000 ] - [ 0.0001075700000000, -0.0001277800000000, 0.0000082600000000 ] - [ 0.0002194300000000, -0.0000581000000000, 0.0001199500000000 ] - [ -0.0000039000000000, -0.0000003600000000, -0.0008089500000000 ] - [ 0.0000024900000000, 0.0000021100000000, -0.0008071600000000 ] - [ -0.0000010000000000, -0.0000029100000000, -0.0008120500000000 ] - [ 0.0000025800000000, 0.0000022200000000, -0.0008081600000000 ] - [ -0.0001282700000000, 0.0001495800000000, -0.0000049900000000 ] - [ -0.0001068600000000, 0.0001565200000000, 0.0000168500000000 ] - [ -0.0001230300000000, 0.0001486200000000, -0.0000095100000000 ] - [ -0.0001075700000000, 0.0001630400000000, 0.0000162400000000 ] - [ 0.0000014200000000, -0.0000022500000000, 0.0009224100000000 ] - [ -0.0000006000000000, -0.0000013500000000, 0.0009226200000000 ] - [ -0.0000019700000000, 0.0000018700000000, 0.0009216500000000 ] - [ 0.0000010100000000, 0.0000014700000000, 0.0009216800000000 ] - [ -0.0000937700000000, -0.0001794300000000, 0.0000165600000000 ] - [ -0.0000702900000000, -0.0001741500000000, 0.0000023800000000 ] - [ -0.0000848600000000, -0.0001830600000000, 0.0000031400000000 ] - [ -0.0000669500000000, -0.0001710500000000, 0.0000027900000000 ] - [ 0.0000440300000000, 0.0001873100000000, 0.0000612200000000 ] - [ 0.0000365400000000, 0.0001916800000000, 0.0000685000000000 ] - [ 0.0000343000000000, 0.0001984500000000, 0.0000716100000000 ] - [ 0.0000439000000000, 0.0001946600000000, 0.0000635700000000 ] - [ 0.0001795100000000, 0.0000273900000000, 0.0000033500000000 ] - [ 0.0001996000000000, 0.0000281500000000, 0.0000050500000000 ] - [ 0.0001876200000000, 0.0000121900000000, 0.0000067700000000 ] - [ 0.0001958000000000, 0.0000249400000000, 0.0000021600000000 ] - [ -0.0001818600000000, -0.0000728100000000, 0.0000745600000000 ] - [ -0.0001870400000000, -0.0000692600000000, 0.0000719000000000 ] - [ -0.0001884400000000, -0.0000564000000000, 0.0000607200000000 ] - [ -0.0001824700000000, -0.0000597000000000, 0.0000638000000000 ] - [ 0.0001520200000000, -0.0001338300000000, 0.0000666900000000 ] - [ 0.0001478100000000, -0.0001325200000000, 0.0000654200000000 ] - [ 0.0001475500000000, -0.0001235400000000, 0.0000684200000000 ] - [ 0.0001530300000000, -0.0001247700000000, 0.0000714000000000 ] - [ 0.0000567600000000, -0.0001118400000000, -0.0008044300000000 ] - [ -0.0000608700000000, -0.0000463600000000, -0.0007533400000000 ] - [ -0.0000619700000000, 0.0001136400000000, -0.0008343500000000 ] - [ 0.0000575200000000, 0.0000446400000000, -0.0008967700000000 ] - [ -0.0001203500000000, 0.0001499900000000, -0.0000244300000000 ] - [ -0.0001150600000000, 0.0001592400000000, 0.0000022000000000 ] - [ -0.0001130900000000, 0.0001579500000000, 0.0000345500000000 ] - [ -0.0001109200000000, 0.0001539600000000, 0.0000132100000000 ] - [ -0.0006014900000000, 0.0007741100000000, -0.0002314600000000 ] - [ 0.0004976200000000, -0.0000073100000000, 0.0006966000000000 ] - [ -0.0007717000000000, 0.0002783700000000, 0.0023476600000000 ] - [ -0.0000941000000000, 0.0000428600000000, 0.0008935700000000 ] - [ -0.0001027300000000, -0.0001680100000000, 0.0000019300000000 ] - [ -0.0000456500000000, -0.0001820200000000, -0.0000201500000000 ] - [ -0.0000608700000000, -0.0001829700000000, 0.0000171300000000 ] - [ -0.0001120100000000, -0.0001674300000000, 0.0000353800000000 ] - [ -0.0013181000000000, 0.0010385500000000, 0.0003207900000000 ] - [ 0.0024710200000000, -0.0002269100000000, -0.0013359700000000 ] - [ 0.0002576100000000, 0.0034142100000000, 0.0077718900000000 ] - [ -0.0009747600000000, 0.0004247100000000, 0.0001939300000000 ] - [ 0.0002006300000000, -0.0000169100000000, 0.0000126700000000 ] - [ 0.0001987300000000, -0.0000148000000000, 0.0000322200000000 ] - [ 0.0001796900000000, 0.0000559800000000, 0.0000061400000000 ] - [ 0.0001837500000000, 0.0000572600000000, -0.0000223200000000 ] - [ -0.0031002400000000, 0.0012124200000000, -0.0035144400000000 ] - [ -0.0002405800000000, -0.0006856200000000, 0.0001457800000000 ] - [ -0.0010389900000000, 0.0020324300000000, -0.0001769500000000 ] - [ 0.0001202000000000, 0.0008233100000000, -0.0001578200000000 ] - [ -0.0005789900000000, 0.0003565700000000, -0.0009871600000000 ] - [ 0.0007939800000000, 0.0007981000000000, 0.0004121800000000 ] - [ -0.0034971000000000, -0.0001743100000000, 0.0038786000000000 ] - [ -0.0008305200000000, -0.0008863000000000, -0.0008493800000000 ]- atom: 53 displacement: [ 0.0050000002486690, -0.0086602538942753, 0.0000000000000000 ] forces: - [ -0.0004204800000000, 0.0002910000000000, 0.0006492800000000 ] - [ 0.0004044200000000, 0.0004181700000000, 0.0001022700000000 ] - [ -0.0004526400000000, -0.0000785500000000, -0.0014909200000000 ] - [ 0.0001986000000000, -0.0000941400000000, -0.0001367600000000 ] - [ 0.0000002900000000, -0.0000003700000000, 0.0000442200000000 ] - [ -0.0000004000000000, -0.0000005500000000, 0.0000449800000000 ] - [ -0.0000000100000000, 0.0000008300000000, 0.0000439000000000 ] - [ 0.0000001000000000, 0.0000001500000000, 0.0000450500000000 ] - [ 0.0002078500000000, -0.0003922900000000, 0.0000049400000000 ] - [ -0.0001592200000000, -0.0001367500000000, -0.0000617100000000 ] - [ -0.0002078200000000, 0.0003614300000000, 0.0000456500000000 ] - [ 0.0002214500000000, 0.0002195700000000, 0.0002806200000000 ] - [ 0.0424867100000000, -0.0120130400000000, 0.0271353100000000 ] - [ -0.0069886900000000, -0.0018064700000000, 0.0000555200000000 ] - [ -0.0020466700000000, 0.0052155300000000, 0.0003784700000000 ] - [ 0.0055308200000000, 0.0100881500000000, -0.0088865900000000 ] - [ -0.0000260700000000, -0.0000577100000000, 0.0001860900000000 ] - [ 0.0000362000000000, 0.0000020500000000, 0.0001086100000000 ] - [ -0.0000841300000000, 0.0000183700000000, 0.0000999700000000 ] - [ 0.0000660300000000, 0.0000357300000000, 0.0000531700000000 ] - [ -0.0000140300000000, -0.0000088500000000, 0.0000547000000000 ] - [ 0.0000013600000000, -0.0000236800000000, 0.0000922400000000 ] - [ 0.0000108700000000, 0.0000049000000000, 0.0001447000000000 ] - [ 0.0000049100000000, 0.0000260100000000, 0.0001023200000000 ] - [ -0.0235445300000000, -0.1013114600000000, -0.0319667700000000 ] - [ -0.0053898200000000, -0.0005956000000000, 0.0018865100000000 ] - [ -0.0044908300000000, 0.0041579300000000, -0.0004012000000000 ] - [ 0.0027852800000000, 0.0075060600000000, -0.0011579500000000 ] - [ -0.0000120600000000, -0.0001278100000000, -0.0001065100000000 ] - [ -0.0000014900000000, -0.0000631600000000, 0.0000988700000000 ] - [ -0.0000170400000000, 0.0000924300000000, -0.0001408400000000 ] - [ 0.0000165300000000, 0.0001077500000000, 0.0002144200000000 ] - [ -0.0000159400000000, -0.0000062600000000, 0.0001629900000000 ] - [ 0.0000175600000000, 0.0000133700000000, 0.0001640600000000 ] - [ -0.0000012900000000, -0.0000183300000000, 0.0001511600000000 ] - [ 0.0000140100000000, 0.0000122200000000, 0.0001596300000000 ] - [ 0.0000053100000000, -0.0000098800000000, 0.0000265200000000 ] - [ -0.0000061600000000, -0.0000069300000000, 0.0000262900000000 ] - [ -0.0000138800000000, 0.0000095700000000, 0.0000265600000000 ] - [ 0.0000003300000000, 0.0000081400000000, 0.0000275100000000 ] - [ 0.0000372200000000, -0.0000533900000000, 0.0001958100000000 ] - [ -0.0000233800000000, -0.0000272600000000, 0.0002589200000000 ] - [ -0.0000345600000000, 0.0000567800000000, 0.0001573000000000 ] - [ 0.0000305300000000, 0.0000264800000000, 0.0000758600000000 ] - [ -0.0029679600000000, 0.0028034800000000, -0.0007622100000000 ] - [ 0.0023394300000000, -0.0001513400000000, -0.0000225300000000 ] - [ -0.0043051400000000, 0.0026627900000000, 0.0038209900000000 ] - [ -0.0003196700000000, 0.0004178300000000, 0.0000945800000000 ] - [ -0.0082677200000000, 0.0041432700000000, -0.0030596300000000 ] - [ 0.0008030600000000, 0.0000172800000000, -0.0012859900000000 ] - [ 0.0007460500000000, -0.0008204800000000, -0.0006436100000000 ] - [ -0.0006772700000000, -0.0012659500000000, -0.0001973300000000 ] - [ -0.0109782300000000, 0.1370484800000000, 0.0104506800000000 ] - [ 0.0016946400000000, 0.0013097200000000, 0.0005937400000000 ] - [ 0.0009432000000000, -0.0009037200000000, 0.0002089800000000 ] - [ -0.0039590800000000, -0.0039645200000000, -0.0012426100000000 ] - [ -0.0000238200000000, 0.0002251000000000, 0.0009199700000000 ] - [ -0.0000343400000000, 0.0001835900000000, 0.0007578100000000 ] - [ 0.0000457500000000, -0.0001884900000000, 0.0009283200000000 ] - [ -0.0000461500000000, -0.0001769600000000, 0.0006861600000000 ] - [ 0.0051686600000000, 0.0098194100000000, 0.0010030000000000 ] - [ 0.0112027300000000, 0.0003912200000000, 0.0001493400000000 ] - [ 0.0026782700000000, -0.0036656500000000, -0.0008486500000000 ] - [ -0.0007950600000000, -0.0051444300000000, -0.0004737500000000 ] - [ 0.0000865000000000, 0.0002033900000000, -0.0000234300000000 ] - [ 0.0000416700000000, 0.0001912600000000, 0.0000317900000000 ] - [ 0.0001355900000000, 0.0001465500000000, -0.0000669200000000 ] - [ 0.0000487900000000, 0.0001677700000000, 0.0000289600000000 ] - [ -0.0110165300000000, -0.0347268900000000, 0.0052351000000000 ] - [ 0.0018353100000000, -0.0019152700000000, 0.0002320800000000 ] - [ 0.0048553200000000, -0.0032080800000000, 0.0007907000000000 ] - [ -0.0060078500000000, -0.0055195800000000, 0.0015658700000000 ] - [ -0.0001849600000000, -0.0000109100000000, -0.0000744200000000 ] - [ -0.0001686200000000, -0.0000823600000000, 0.0000349800000000 ] - [ -0.0001933300000000, 0.0000213400000000, -0.0000385600000000 ] - [ -0.0002180400000000, -0.0000045200000000, 0.0000360200000000 ] - [ 0.0001715300000000, -0.0000847500000000, 0.0000136600000000 ] - [ 0.0000977400000000, -0.0001593600000000, -0.0000277900000000 ] - [ 0.0001561400000000, -0.0001567200000000, 0.0000516200000000 ] - [ 0.0000433800000000, -0.0002267900000000, -0.0000609800000000 ] - [ 0.0000041000000000, 0.0000007300000000, -0.0009241100000000 ] - [ -0.0000024200000000, -0.0000018300000000, -0.0009256300000000 ] - [ 0.0000011500000000, 0.0000032400000000, -0.0009205800000000 ] - [ -0.0000024500000000, -0.0000019600000000, -0.0009245300000000 ] - [ -0.0001384500000000, 0.0001336000000000, -0.0000588500000000 ] - [ -0.0001598300000000, 0.0001269600000000, -0.0000808700000000 ] - [ -0.0001437400000000, 0.0001348000000000, -0.0000543500000000 ] - [ -0.0001592100000000, 0.0001192700000000, -0.0000800200000000 ] - [ -0.0000014500000000, 0.0000020900000000, 0.0008086900000000 ] - [ 0.0000005000000000, 0.0000011700000000, 0.0008082900000000 ] - [ 0.0000018700000000, -0.0000020300000000, 0.0008086200000000 ] - [ -0.0000011200000000, -0.0000016100000000, 0.0008089400000000 ] - [ -0.0000237800000000, -0.0001897900000000, -0.0000767900000000 ] - [ -0.0000481800000000, -0.0001956300000000, -0.0000627800000000 ] - [ -0.0000338500000000, -0.0001868900000000, -0.0000636500000000 ] - [ -0.0000513800000000, -0.0001986800000000, -0.0000631600000000 ] - [ 0.0000747800000000, 0.0001824600000000, -0.0000017700000000 ] - [ 0.0000818900000000, 0.0001777400000000, -0.0000091000000000 ] - [ 0.0000847200000000, 0.0001712500000000, -0.0000120400000000 ] - [ 0.0000752800000000, 0.0001752100000000, -0.0000040300000000 ] - [ 0.0001963200000000, 0.0000597900000000, -0.0000665800000000 ] - [ 0.0001754400000000, 0.0000592600000000, -0.0000681900000000 ] - [ 0.0001877500000000, 0.0000754700000000, -0.0000701600000000 ] - [ 0.0001795600000000, 0.0000624100000000, -0.0000653800000000 ] - [ -0.0001931000000000, -0.0000141900000000, -0.0000122500000000 ] - [ -0.0001886800000000, -0.0000174600000000, -0.0000094900000000 ] - [ -0.0001872800000000, -0.0000300500000000, 0.0000018100000000 ] - [ -0.0001931600000000, -0.0000268700000000, -0.0000014600000000 ] - [ 0.0001141200000000, -0.0001494000000000, -0.0000039000000000 ] - [ 0.0001184300000000, -0.0001510700000000, -0.0000024900000000 ] - [ 0.0001187600000000, -0.0001599100000000, -0.0000053900000000 ] - [ 0.0001132600000000, -0.0001590400000000, -0.0000083700000000 ] - [ -0.0000563400000000, 0.0001121500000000, -0.0009555800000000 ] - [ 0.0000610300000000, 0.0000466600000000, -0.0010072200000000 ] - [ 0.0000623100000000, -0.0001131000000000, -0.0009256800000000 ] - [ -0.0000572600000000, -0.0000443100000000, -0.0008635400000000 ] - [ -0.0001432100000000, 0.0001348500000000, -0.0000355200000000 ] - [ -0.0001483800000000, 0.0001259100000000, -0.0000620900000000 ] - [ -0.0001502300000000, 0.0001264600000000, -0.0000941900000000 ] - [ -0.0001525800000000, 0.0001309400000000, -0.0000730800000000 ] - [ 0.0005996500000000, -0.0007756000000000, 0.0019856400000000 ] - [ -0.0004943600000000, 0.0000054900000000, 0.0010622100000000 ] - [ 0.0007727800000000, -0.0002772500000000, -0.0005909600000000 ] - [ 0.0000931000000000, -0.0000424400000000, 0.0008661300000000 ] - [ -0.0000174900000000, -0.0001986500000000, -0.0000579600000000 ] - [ -0.0000746000000000, -0.0001848200000000, -0.0000360900000000 ] - [ -0.0000597400000000, -0.0001839300000000, -0.0000732400000000 ] - [ -0.0000085100000000, -0.0001993000000000, -0.0000912800000000 ] - [ 0.0014386800000000, -0.0006726600000000, -0.0002671200000000 ] - [ -0.0023322400000000, 0.0005839300000000, 0.0013793900000000 ] - [ -0.0001315000000000, -0.0030790700000000, -0.0077912700000000 ] - [ 0.0010929200000000, -0.0000553900000000, -0.0001380600000000 ] - [ 0.0001744500000000, 0.0001000700000000, -0.0000713800000000 ] - [ 0.0001765600000000, 0.0000975900000000, -0.0000906200000000 ] - [ 0.0001958500000000, 0.0000270500000000, -0.0000646900000000 ] - [ 0.0001912900000000, 0.0000259900000000, -0.0000362300000000 ] - [ 0.0027165000000000, -0.0012827800000000, 0.0035007500000000 ] - [ -0.0001369000000000, 0.0005991300000000, -0.0000816300000000 ] - [ 0.0006606800000000, -0.0021058300000000, 0.0002319200000000 ] - [ -0.0004977700000000, -0.0009002900000000, 0.0002123200000000 ] - [ 0.0008298200000000, -0.0006480900000000, 0.0010339700000000 ] - [ -0.0005315200000000, -0.0010852500000000, -0.0003551400000000 ] - [ 0.0037705700000000, -0.0000866200000000, -0.0038466700000000 ] - [ 0.0011014400000000, 0.0006042700000000, 0.0009153900000000 ]- atom: 53 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0018785600000000, -0.0011625800000000, -0.0001846400000000 ] - [ -0.0020596900000000, -0.0011283600000000, -0.0001539000000000 ] - [ -0.0004382800000000, 0.0026317700000000, -0.0013062400000000 ] - [ -0.0000054700000000, -0.0000015300000000, 0.0006734700000000 ] - [ 0.0000006400000000, -0.0000001200000000, -0.0005588700000000 ] - [ -0.0000003400000000, 0.0000002500000000, -0.0005578900000000 ] - [ -0.0000000800000000, 0.0000003700000000, -0.0005553800000000 ] - [ -0.0000005000000000, -0.0000004900000000, -0.0005579600000000 ] - [ 0.0003871500000000, 0.0002759100000000, -0.0007041800000000 ] - [ -0.0003513400000000, -0.0000593800000000, -0.0003679600000000 ] - [ 0.0002644000000000, 0.0001056500000000, -0.0004749900000000 ] - [ -0.0002951900000000, -0.0003729500000000, -0.0006256900000000 ] - [ 0.0488048500000000, 0.0030882000000000, 0.0523616300000000 ] - [ 0.0005804500000000, 0.0046551000000000, 0.0099011500000000 ] - [ -0.0006505800000000, -0.0011567900000000, 0.0049795100000000 ] - [ 0.0002606300000000, -0.0026792100000000, 0.0061669200000000 ] - [ -0.0000032700000000, -0.0000018500000000, -0.0016742700000000 ] - [ -0.0000477100000000, -0.0001404100000000, -0.0011744400000000 ] - [ 0.0001200200000000, 0.0000170200000000, -0.0011843100000000 ] - [ -0.0000693000000000, 0.0001331200000000, -0.0011939700000000 ] - [ 0.0000225800000000, 0.0000169700000000, -0.0013459600000000 ] - [ -0.0000122700000000, -0.0000005400000000, -0.0012692400000000 ] - [ 0.0000297200000000, -0.0000124900000000, -0.0013511500000000 ] - [ -0.0000342700000000, -0.0000092900000000, -0.0012911600000000 ] - [ 0.0435567800000000, 0.0532628300000000, 0.0801782600000000 ] - [ -0.0035457500000000, -0.0014598200000000, 0.0030160200000000 ] - [ 0.0000560200000000, 0.0014714100000000, 0.0029622900000000 ] - [ 0.0014997700000000, -0.0038107900000000, 0.0052243100000000 ] - [ 0.0003300100000000, 0.0002077800000000, -0.0015149300000000 ] - [ -0.0004007000000000, 0.0001536200000000, -0.0014461600000000 ] - [ -0.0000104900000000, 0.0000408200000000, -0.0005601100000000 ] - [ 0.0000615800000000, -0.0004039500000000, -0.0014592000000000 ] - [ 0.0000856200000000, -0.0000176900000000, -0.0010990500000000 ] - [ -0.0000537100000000, -0.0000597600000000, -0.0010998200000000 ] - [ -0.0000254600000000, 0.0000741200000000, -0.0011034600000000 ] - [ 0.0000095400000000, 0.0000034200000000, -0.0010940000000000 ] - [ 0.0000051800000000, 0.0000125000000000, -0.0012352700000000 ] - [ -0.0000157700000000, -0.0000050800000000, -0.0012328400000000 ] - [ 0.0000039800000000, 0.0000066900000000, -0.0012323200000000 ] - [ -0.0000082300000000, -0.0000136900000000, -0.0012336100000000 ] - [ -0.0000396000000000, -0.0000198600000000, -0.0012095500000000 ] - [ 0.0000411900000000, 0.0000391100000000, -0.0010204000000000 ] - [ -0.0000388500000000, -0.0000449000000000, -0.0011138500000000 ] - [ 0.0000466400000000, 0.0000252700000000, -0.0009987300000000 ] - [ -0.0040091900000000, 0.0111082000000000, 0.0008505500000000 ] - [ -0.0005138300000000, -0.0013576300000000, 0.0006049300000000 ] - [ 0.0101386600000000, -0.0027382500000000, -0.0032362600000000 ] - [ -0.0014538800000000, -0.0013582900000000, -0.0001548800000000 ] - [ 0.0202866200000000, 0.0262250200000000, 0.0201464400000000 ] - [ 0.0006275000000000, 0.0000942900000000, -0.0028802200000000 ] - [ 0.0001198700000000, -0.0002112800000000, -0.0025722000000000 ] - [ -0.0004923200000000, 0.0002541900000000, -0.0032383400000000 ] - [ -0.1297316500000000, -0.0880177000000000, -0.1444337900000000 ] - [ 0.0010912000000000, 0.0001382300000000, -0.0006697200000000 ] - [ -0.0013664700000000, -0.0008461000000000, -0.0017873900000000 ] - [ 0.0003176600000000, 0.0017890800000000, -0.0009957300000000 ] - [ -0.0006567200000000, -0.0002938300000000, 0.0018177800000000 ] - [ 0.0007035000000000, -0.0003441500000000, 0.0016990500000000 ] - [ 0.0000194800000000, -0.0000623200000000, 0.0010864500000000 ] - [ -0.0000506500000000, 0.0008169300000000, 0.0017322600000000 ] - [ 0.0079611600000000, 0.0011994000000000, -0.0117135900000000 ] - [ 0.0031736700000000, -0.0002093300000000, -0.0039800600000000 ] - [ 0.0006078600000000, -0.0002797600000000, -0.0012801600000000 ] - [ 0.0004616200000000, 0.0004557800000000, -0.0019857400000000 ] - [ -0.0000188500000000, 0.0002371400000000, 0.0005632000000000 ] - [ -0.0003928200000000, 0.0003257000000000, 0.0005701300000000 ] - [ -0.0003259900000000, 0.0003286800000000, 0.0005323700000000 ] - [ -0.0000062500000000, 0.0002280700000000, 0.0002740800000000 ] - [ -0.0008830700000000, 0.0025473000000000, -0.0116584400000000 ] - [ 0.0010072700000000, 0.0008437900000000, -0.0012806600000000 ] - [ 0.0006250300000000, -0.0006530300000000, -0.0019886200000000 ] - [ -0.0000196900000000, 0.0035486800000000, -0.0039537500000000 ] - [ -0.0001914700000000, -0.0001390200000000, 0.0005706500000000 ] - [ -0.0001885500000000, -0.0001365300000000, 0.0002753900000000 ] - [ -0.0000930000000000, -0.0004607700000000, 0.0005338700000000 ] - [ -0.0001367800000000, -0.0004616100000000, 0.0005649700000000 ] - [ 0.0002456500000000, -0.0000577300000000, 0.0005922300000000 ] - [ 0.0004556000000000, 0.0001111500000000, 0.0005295800000000 ] - [ 0.0002151100000000, -0.0001188500000000, 0.0002890900000000 ] - [ 0.0004527700000000, 0.0001475700000000, 0.0005386700000000 ] - [ -0.0000146700000000, 0.0000041900000000, -0.0001476000000000 ] - [ 0.0000113600000000, 0.0000103400000000, -0.0001483200000000 ] - [ 0.0000043700000000, -0.0000139000000000, -0.0001467200000000 ] - [ -0.0000011400000000, -0.0000003700000000, -0.0001443300000000 ] - [ 0.0000411600000000, 0.0003161100000000, 0.0004084900000000 ] - [ 0.0001195800000000, 0.0003370500000000, 0.0004666600000000 ] - [ 0.0000713300000000, 0.0002657300000000, 0.0004048000000000 ] - [ 0.0000832600000000, 0.0003027900000000, 0.0004322400000000 ] - [ -0.0000018200000000, -0.0000020900000000, 0.0015868700000000 ] - [ 0.0000021100000000, 0.0000008500000000, 0.0015866200000000 ] - [ -0.0000016700000000, -0.0000013900000000, 0.0015850700000000 ] - [ 0.0000011900000000, 0.0000022900000000, 0.0015864300000000 ] - [ -0.0003552800000000, -0.0000614600000000, 0.0004713500000000 ] - [ -0.0002658800000000, -0.0000732000000000, 0.0003999800000000 ] - [ -0.0002936000000000, -0.0001201500000000, 0.0004094300000000 ] - [ -0.0003170400000000, -0.0000765200000000, 0.0004412500000000 ] - [ -0.0001962000000000, 0.0002822500000000, 0.0004932800000000 ] - [ -0.0001821800000000, 0.0002863000000000, 0.0004841200000000 ] - [ -0.0001939300000000, 0.0002840400000000, 0.0004907800000000 ] - [ -0.0001843200000000, 0.0002914900000000, 0.0004887000000000 ] - [ 0.0001955300000000, -0.0001943700000000, 0.0004008800000000 ] - [ 0.0002504100000000, -0.0001955800000000, 0.0004089100000000 ] - [ 0.0002324700000000, -0.0002713800000000, 0.0004682100000000 ] - [ 0.0002171900000000, -0.0002286100000000, 0.0004370700000000 ] - [ -0.0001558200000000, -0.0003142700000000, 0.0004946800000000 ] - [ -0.0001459000000000, -0.0003098400000000, 0.0004922000000000 ] - [ -0.0001538900000000, -0.0003106900000000, 0.0004902100000000 ] - [ -0.0001489400000000, -0.0003021600000000, 0.0004856100000000 ] - [ 0.0003371200000000, 0.0000170900000000, 0.0004830500000000 ] - [ 0.0003531300000000, 0.0000246400000000, 0.0004979400000000 ] - [ 0.0003387900000000, 0.0000198000000000, 0.0004839100000000 ] - [ 0.0003516500000000, 0.0000305100000000, 0.0004993700000000 ] - [ 0.0000874100000000, 0.0000251000000000, -0.0000596300000000 ] - [ -0.0000949200000000, -0.0000719900000000, -0.0002076600000000 ] - [ 0.0000960900000000, 0.0000632500000000, -0.0001442500000000 ] - [ -0.0000836500000000, -0.0000329000000000, -0.0002352300000000 ] - [ 0.0000433100000000, 0.0002690500000000, 0.0004068500000000 ] - [ 0.0001079800000000, 0.0003359700000000, 0.0004342800000000 ] - [ 0.0000442300000000, 0.0002744500000000, 0.0004105900000000 ] - [ 0.0001256200000000, 0.0003468400000000, 0.0004685000000000 ] - [ 0.0008890900000000, -0.0026084100000000, 0.0024189200000000 ] - [ 0.0000813000000000, 0.0002095200000000, 0.0004739900000000 ] - [ -0.0017491600000000, 0.0001898000000000, 0.0022060600000000 ] - [ 0.0003015000000000, 0.0002405000000000, 0.0009128500000000 ] - [ -0.0002985800000000, -0.0000842700000000, 0.0004406300000000 ] - [ -0.0003048600000000, -0.0000821900000000, 0.0004046000000000 ] - [ -0.0003268200000000, -0.0000736000000000, 0.0004715400000000 ] - [ -0.0003033700000000, -0.0000849300000000, 0.0004126000000000 ] - [ 0.0025194600000000, -0.0013647200000000, -0.0015997500000000 ] - [ 0.0006121100000000, 0.0000936300000000, -0.0013652400000000 ] - [ -0.0011974400000000, 0.0048757300000000, 0.0062225400000000 ] - [ 0.0004454100000000, 0.0001712800000000, -0.0008187200000000 ] - [ 0.0002337700000000, -0.0002537200000000, 0.0004718300000000 ] - [ 0.0002207000000000, -0.0002268700000000, 0.0004105200000000 ] - [ 0.0002204500000000, -0.0002134700000000, 0.0004421400000000 ] - [ 0.0002197900000000, -0.0002067700000000, 0.0004010600000000 ] - [ 0.0075314800000000, -0.0105314700000000, 0.0062334900000000 ] - [ 0.0001031600000000, 0.0005788100000000, -0.0015989500000000 ] - [ -0.0015314400000000, 0.0023398700000000, -0.0013690700000000 ] - [ -0.0000242300000000, 0.0010981600000000, -0.0008174100000000 ] - [ -0.0019074000000000, -0.0024740800000000, -0.0020741200000000 ] - [ 0.0006739800000000, 0.0006103700000000, -0.0003325500000000 ] - [ -0.0077684000000000, -0.0002841000000000, 0.0026941300000000 ] - [ 0.0031176300000000, 0.0005581300000000, 0.0012541900000000 ]- atom: 53 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0018914900000000, 0.0011649600000000, 0.0001890400000000 ] - [ 0.0020747300000000, 0.0011374600000000, 0.0001625700000000 ] - [ 0.0004359600000000, -0.0026440300000000, 0.0013116400000000 ] - [ 0.0000093900000000, 0.0000024600000000, -0.0006769000000000 ] - [ -0.0000006300000000, 0.0000001600000000, 0.0005632800000000 ] - [ 0.0000003000000000, -0.0000002700000000, 0.0005623100000000 ] - [ 0.0000000800000000, -0.0000004000000000, 0.0005597900000000 ] - [ 0.0000005500000000, 0.0000004300000000, 0.0005624000000000 ] - [ -0.0003920100000000, -0.0002801900000000, 0.0007098700000000 ] - [ 0.0003553500000000, 0.0000583300000000, 0.0003705300000000 ] - [ -0.0002667300000000, -0.0001047500000000, 0.0004779200000000 ] - [ 0.0002985300000000, 0.0003787100000000, 0.0006320200000000 ] - [ -0.0513512400000000, -0.0035342000000000, -0.0536016100000000 ] - [ -0.0005086700000000, -0.0047630100000000, -0.0100751000000000 ] - [ 0.0006554100000000, 0.0011813800000000, -0.0050435300000000 ] - [ -0.0002234000000000, 0.0028065600000000, -0.0063365700000000 ] - [ 0.0000010900000000, 0.0000023600000000, 0.0016975200000000 ] - [ 0.0000468300000000, 0.0001420800000000, 0.0011950700000000 ] - [ -0.0001232600000000, -0.0000158500000000, 0.0012058300000000 ] - [ 0.0000688100000000, -0.0001318000000000, 0.0012145200000000 ] - [ -0.0000211400000000, -0.0000185500000000, 0.0013434900000000 ] - [ 0.0000142000000000, -0.0000005600000000, 0.0012661700000000 ] - [ -0.0000286500000000, 0.0000114200000000, 0.0013490700000000 ] - [ 0.0000367300000000, 0.0000082500000000, 0.0012883800000000 ] - [ -0.0423642200000000, -0.0516716700000000, -0.0802187500000000 ] - [ 0.0036109800000000, 0.0014724000000000, -0.0028593700000000 ] - [ -0.0000804900000000, -0.0014889100000000, -0.0028046600000000 ] - [ -0.0015290600000000, 0.0039226100000000, -0.0051015800000000 ] - [ -0.0003357400000000, -0.0002101600000000, 0.0013614400000000 ] - [ 0.0003976700000000, -0.0001550200000000, 0.0012948500000000 ] - [ 0.0000060700000000, -0.0000416400000000, 0.0004035000000000 ] - [ -0.0000659500000000, 0.0004048100000000, 0.0013105300000000 ] - [ -0.0000791700000000, 0.0000172900000000, 0.0012415100000000 ] - [ 0.0000613900000000, 0.0000593400000000, 0.0012420000000000 ] - [ 0.0000329800000000, -0.0000749000000000, 0.0012455600000000 ] - [ -0.0000020100000000, -0.0000033000000000, 0.0012363600000000 ] - [ -0.0000127400000000, -0.0000122300000000, 0.0011104100000000 ] - [ 0.0000090200000000, 0.0000054200000000, 0.0011082100000000 ] - [ -0.0000113500000000, -0.0000064500000000, 0.0011082800000000 ] - [ 0.0000008900000000, 0.0000144200000000, 0.0011094100000000 ] - [ 0.0000445100000000, 0.0000204000000000, 0.0013801200000000 ] - [ -0.0000370800000000, -0.0000387900000000, 0.0011885400000000 ] - [ 0.0000433500000000, 0.0000462200000000, 0.0012821900000000 ] - [ -0.0000425300000000, -0.0000247600000000, 0.0011662600000000 ] - [ 0.0040564400000000, -0.0112513800000000, -0.0010064000000000 ] - [ 0.0005351100000000, 0.0013771500000000, -0.0007825800000000 ] - [ -0.0103222000000000, 0.0027363500000000, 0.0031070400000000 ] - [ 0.0014850600000000, 0.0013977200000000, -0.0000030100000000 ] - [ -0.0199862200000000, -0.0258323500000000, -0.0213522300000000 ] - [ -0.0006416800000000, -0.0000952700000000, 0.0011361100000000 ] - [ -0.0001158200000000, 0.0002133600000000, 0.0008148900000000 ] - [ 0.0004976900000000, -0.0002727900000000, 0.0015002200000000 ] - [ 0.1308943000000000, 0.0872043500000000, 0.1457687400000000 ] - [ -0.0013804300000000, 0.0001505300000000, 0.0006185900000000 ] - [ 0.0011278800000000, 0.0011441200000000, 0.0017493400000000 ] - [ -0.0006114700000000, -0.0015612900000000, 0.0009347100000000 ] - [ 0.0006599700000000, 0.0002962200000000, -0.0000612700000000 ] - [ -0.0007069600000000, 0.0003456700000000, 0.0000558100000000 ] - [ -0.0000194100000000, 0.0000616000000000, 0.0006725800000000 ] - [ 0.0000500900000000, -0.0008220400000000, 0.0000203000000000 ] - [ -0.0083641800000000, -0.0016189800000000, 0.0116424900000000 ] - [ -0.0033374600000000, -0.0000902200000000, 0.0040104800000000 ] - [ -0.0007224900000000, -0.0001090500000000, 0.0012350200000000 ] - [ -0.0005828100000000, -0.0008296800000000, 0.0019477600000000 ] - [ 0.0001409100000000, 0.0001292300000000, -0.0005119700000000 ] - [ 0.0005154700000000, 0.0000398400000000, -0.0005180200000000 ] - [ 0.0004495100000000, 0.0000363400000000, -0.0004816300000000 ] - [ 0.0001276200000000, 0.0001375700000000, -0.0002212500000000 ] - [ 0.0012127700000000, -0.0028068300000000, 0.0116976900000000 ] - [ -0.0006446800000000, -0.0007776300000000, 0.0012345000000000 ] - [ -0.0002612100000000, 0.0007522700000000, 0.0019448000000000 ] - [ 0.0003328100000000, -0.0036382100000000, 0.0040370100000000 ] - [ -0.0001834800000000, 0.0000582600000000, -0.0005174400000000 ] - [ -0.0001865900000000, 0.0000552000000000, -0.0002199100000000 ] - [ -0.0002822600000000, 0.0003809400000000, -0.0004800900000000 ] - [ -0.0002388200000000, 0.0003812700000000, -0.0005102000000000 ] - [ 0.0000167900000000, -0.0002270000000000, -0.0005364200000000 ] - [ -0.0001950200000000, -0.0003969700000000, -0.0004744500000000 ] - [ 0.0000474200000000, -0.0001659500000000, -0.0002321200000000 ] - [ -0.0001926900000000, -0.0004343100000000, -0.0004842000000000 ] - [ 0.0000149100000000, -0.0000039000000000, -0.0015905700000000 ] - [ -0.0000113500000000, -0.0000101800000000, -0.0015895900000000 ] - [ -0.0000042300000000, 0.0000141900000000, -0.0015910000000000 ] - [ 0.0000012300000000, 0.0000005100000000, -0.0015935700000000 ] - [ -0.0003086800000000, -0.0000342800000000, -0.0004745100000000 ] - [ -0.0003874900000000, -0.0000551000000000, -0.0005332100000000 ] - [ -0.0003390200000000, 0.0000161700000000, -0.0004708300000000 ] - [ -0.0003510700000000, -0.0000219900000000, -0.0004984500000000 ] - [ 0.0000017800000000, 0.0000018700000000, 0.0001402400000000 ] - [ -0.0000022700000000, -0.0000011100000000, 0.0001402700000000 ] - [ 0.0000015600000000, 0.0000011400000000, 0.0001411900000000 ] - [ -0.0000013400000000, -0.0000025700000000, 0.0001400100000000 ] - [ 0.0002394500000000, -0.0003080500000000, -0.0005340500000000 ] - [ 0.0001489000000000, -0.0002968200000000, -0.0004626100000000 ] - [ 0.0001766800000000, -0.0002499200000000, -0.0004721900000000 ] - [ 0.0002003200000000, -0.0002935700000000, -0.0005039500000000 ] - [ 0.0003165500000000, 0.0000863600000000, -0.0004374200000000 ] - [ 0.0003020600000000, 0.0000819300000000, -0.0004281900000000 ] - [ 0.0003145400000000, 0.0000844700000000, -0.0004347700000000 ] - [ 0.0003049100000000, 0.0000770600000000, -0.0004326900000000 ] - [ 0.0001797400000000, 0.0002829900000000, -0.0004664700000000 ] - [ 0.0001239200000000, 0.0002842800000000, -0.0004743800000000 ] - [ 0.0001422300000000, 0.0003605800000000, -0.0005339600000000 ] - [ 0.0001574400000000, 0.0003172900000000, -0.0005025300000000 ] - [ -0.0002188200000000, 0.0002291300000000, -0.0004360000000000 ] - [ -0.0002296400000000, 0.0002249600000000, -0.0004333700000000 ] - [ -0.0002215900000000, 0.0002259900000000, -0.0004311700000000 ] - [ -0.0002265100000000, 0.0002172600000000, -0.0004266700000000 ] - [ -0.0000726100000000, -0.0003009700000000, -0.0004237100000000 ] - [ -0.0000887400000000, -0.0003090400000000, -0.0004386200000000 ] - [ -0.0000741600000000, -0.0003039700000000, -0.0004243300000000 ] - [ -0.0000871700000000, -0.0003151400000000, -0.0004399600000000 ] - [ -0.0000879900000000, -0.0000246000000000, -0.0017071800000000 ] - [ 0.0000961400000000, 0.0000732500000000, -0.0015576000000000 ] - [ -0.0000965300000000, -0.0000639700000000, -0.0016208200000000 ] - [ 0.0000845900000000, 0.0000330700000000, -0.0015291400000000 ] - [ -0.0003074300000000, 0.0000148000000000, -0.0004687900000000 ] - [ -0.0003727400000000, -0.0000527000000000, -0.0004964600000000 ] - [ -0.0003081500000000, 0.0000088200000000, -0.0004724300000000 ] - [ -0.0003907700000000, -0.0000639900000000, -0.0005313900000000 ] - [ -0.0009003500000000, 0.0026411300000000, -0.0006890200000000 ] - [ -0.0000861100000000, -0.0002129400000000, 0.0012967200000000 ] - [ 0.0017790600000000, -0.0001889300000000, -0.0004767800000000 ] - [ -0.0003079300000000, -0.0002476500000000, 0.0008487500000000 ] - [ 0.0001799800000000, -0.0002826000000000, -0.0004989900000000 ] - [ 0.0001861400000000, -0.0002848900000000, -0.0004627500000000 ] - [ 0.0002081900000000, -0.0002936800000000, -0.0005306400000000 ] - [ 0.0001844400000000, -0.0002820200000000, -0.0004706900000000 ] - [ -0.0024306400000000, 0.0017550000000000, 0.0016737600000000 ] - [ -0.0005091100000000, 0.0002685400000000, 0.0014482000000000 ] - [ 0.0014048800000000, -0.0047291600000000, -0.0064544900000000 ] - [ -0.0003344200000000, 0.0001934400000000, 0.0008861200000000 ] - [ 0.0001404000000000, 0.0003389700000000, -0.0005335800000000 ] - [ 0.0001539500000000, 0.0003112200000000, -0.0004711100000000 ] - [ 0.0001545100000000, 0.0002975600000000, -0.0005031000000000 ] - [ 0.0001546300000000, 0.0002910200000000, -0.0004615300000000 ] - [ -0.0080312400000000, 0.0107488700000000, -0.0064436200000000 ] - [ -0.0004842500000000, -0.0006610400000000, 0.0016743600000000 ] - [ 0.0011841100000000, -0.0024497600000000, 0.0014445500000000 ] - [ -0.0003556500000000, -0.0012031700000000, 0.0008875400000000 ] - [ 0.0021979100000000, 0.0022303600000000, 0.0021648600000000 ] - [ -0.0004259400000000, -0.0009102200000000, 0.0003933200000000 ] - [ 0.0081731800000000, -0.0000004800000000, -0.0026983400000000 ] - [ -0.0028656300000000, -0.0008579100000000, -0.0011900400000000 ]