# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/82871752-7020-48d3-ad6b-c0938b6de67f/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 Na2LiAlP2H2O9 / Pcca (54) / materials id 556641](https://mdr.nims.go.jp/datasets/a93dab84-4e37-47e4-b3c4-2c18bc89bb88) ## 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: "Pcca" number: 54 Hall_symbol: "-P 2a 2ac"supercell_matrix:- [ 1, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 14.046621820000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 6.957650830000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 14.092549110000000 ] # c points: - symbol: Na # 1 coordinates: [ 0.000000000000000, 0.960972230000000, 0.250000000000000 ] mass: 22.989769 - symbol: Na # 2 coordinates: [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ] mass: 22.989769 - symbol: Na # 3 coordinates: [ 0.250000000000000, 0.000000000000000, 0.753998690000000 ] mass: 22.989769 - symbol: Na # 4 coordinates: [ 0.000000000000000, 0.500000000000000, 0.500000000000000 ] mass: 22.989769 - symbol: Na # 5 coordinates: [ 0.500000000000000, 0.039027770000000, 0.250000000000000 ] mass: 22.989769 - symbol: Na # 6 coordinates: [ 0.750000000000000, 0.000000000000000, 0.246001310000000 ] mass: 22.989769 - symbol: Na # 7 coordinates: [ 0.000000000000000, 0.039027770000000, 0.750000000000000 ] mass: 22.989769 - symbol: Na # 8 coordinates: [ 0.000000000000000, 0.500000000000000, 0.000000000000000 ] mass: 22.989769 - symbol: Na # 9 coordinates: [ 0.250000000000000, 0.500000000000000, 0.477654240000000 ] mass: 22.989769 - symbol: Na # 10 coordinates: [ 0.750000000000000, 0.500000000000000, 0.022345760000000 ] mass: 22.989769 - symbol: Na # 11 coordinates: [ 0.750000000000000, 0.500000000000000, 0.522345760000000 ] mass: 22.989769 - symbol: Na # 12 coordinates: [ 0.750000000000000, 0.000000000000000, 0.746001310000000 ] mass: 22.989769 - symbol: Na # 13 coordinates: [ 0.250000000000000, 0.000000000000000, 0.253998690000000 ] mass: 22.989769 - symbol: Na # 14 coordinates: [ 0.500000000000000, 0.500000000000000, 0.500000000000000 ] mass: 22.989769 - symbol: Na # 15 coordinates: [ 0.500000000000000, 0.960972230000000, 0.750000000000000 ] mass: 22.989769 - symbol: Na # 16 coordinates: [ 0.250000000000000, 0.500000000000000, 0.977654240000000 ] mass: 22.989769 - symbol: Li # 17 coordinates: [ 0.123459240000000, 0.256856610000000, 0.124947140000000 ] mass: 6.941000 - symbol: Li # 18 coordinates: [ 0.876540760000000, 0.256856610000000, 0.375052860000000 ] mass: 6.941000 - symbol: Li # 19 coordinates: [ 0.376540760000000, 0.256856610000000, 0.624947140000000 ] mass: 6.941000 - symbol: Li # 20 coordinates: [ 0.876540760000000, 0.743143390000000, 0.875052860000000 ] mass: 6.941000 - symbol: Li # 21 coordinates: [ 0.123459240000000, 0.743143390000000, 0.624947140000000 ] mass: 6.941000 - symbol: Li # 22 coordinates: [ 0.623459240000000, 0.256856610000000, 0.875052860000000 ] mass: 6.941000 - symbol: Li # 23 coordinates: [ 0.623459240000000, 0.743143390000000, 0.375052860000000 ] mass: 6.941000 - symbol: Li # 24 coordinates: [ 0.376540760000000, 0.743143390000000, 0.124947140000000 ] mass: 6.941000 - symbol: Al # 25 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 26.981539 - symbol: Al # 26 coordinates: [ 0.500000000000000, 0.000000000000000, 0.500000000000000 ] mass: 26.981539 - symbol: Al # 27 coordinates: [ 0.250000000000000, 0.000000000000000, 0.497156480000000 ] mass: 26.981539 - symbol: Al # 28 coordinates: [ 0.750000000000000, 0.000000000000000, 0.502843520000000 ] mass: 26.981539 - symbol: Al # 29 coordinates: [ 0.500000000000000, 0.000000000000000, 0.000000000000000 ] mass: 26.981539 - symbol: Al # 30 coordinates: [ 0.250000000000000, 0.000000000000000, 0.997156480000000 ] mass: 26.981539 - symbol: Al # 31 coordinates: [ 0.750000000000000, 0.000000000000000, 0.002843520000000 ] mass: 26.981539 - symbol: Al # 32 coordinates: [ 0.000000000000000, 0.000000000000000, 0.500000000000000 ] mass: 26.981539 - symbol: P # 33 coordinates: [ 0.869768080000000, 0.279234670000000, 0.869037100000000 ] mass: 30.973762 - symbol: P # 34 coordinates: [ 0.379697760000000, 0.263520550000000, 0.855936820000000 ] mass: 30.973762 - symbol: P # 35 coordinates: [ 0.369768080000000, 0.720765330000000, 0.630962900000000 ] mass: 30.973762 - symbol: P # 36 coordinates: [ 0.869768080000000, 0.720765330000000, 0.369037100000000 ] mass: 30.973762 - symbol: P # 37 coordinates: [ 0.879697760000000, 0.263520550000000, 0.144063180000000 ] mass: 30.973762 - symbol: P # 38 coordinates: [ 0.879697760000000, 0.736479450000000, 0.644063180000000 ] mass: 30.973762 - symbol: P # 39 coordinates: [ 0.120302240000000, 0.263520550000000, 0.355936820000000 ] mass: 30.973762 - symbol: P # 40 coordinates: [ 0.630231920000000, 0.720765330000000, 0.869037100000000 ] mass: 30.973762 - symbol: P # 41 coordinates: [ 0.369768080000000, 0.279234670000000, 0.130962900000000 ] mass: 30.973762 - symbol: P # 42 coordinates: [ 0.130231920000000, 0.720765330000000, 0.130962900000000 ] mass: 30.973762 - symbol: P # 43 coordinates: [ 0.120302240000000, 0.736479450000000, 0.855936820000000 ] mass: 30.973762 - symbol: P # 44 coordinates: [ 0.630231920000000, 0.279234670000000, 0.369037100000000 ] mass: 30.973762 - symbol: P # 45 coordinates: [ 0.130231920000000, 0.279234670000000, 0.630962900000000 ] mass: 30.973762 - symbol: P # 46 coordinates: [ 0.379697760000000, 0.736479450000000, 0.355936820000000 ] mass: 30.973762 - symbol: P # 47 coordinates: [ 0.620302240000000, 0.263520550000000, 0.644063180000000 ] mass: 30.973762 - symbol: P # 48 coordinates: [ 0.620302240000000, 0.736479450000000, 0.144063180000000 ] mass: 30.973762 - symbol: H # 49 coordinates: [ 0.126689150000000, 0.601551460000000, 0.293022290000000 ] mass: 1.007940 - symbol: H # 50 coordinates: [ 0.126689150000000, 0.398448540000000, 0.793022290000000 ] mass: 1.007940 - symbol: H # 51 coordinates: [ 0.124721310000000, 0.203969670000000, 0.940126900000000 ] mass: 1.007940 - symbol: H # 52 coordinates: [ 0.124721310000000, 0.796030330000000, 0.440126900000000 ] mass: 1.007940 - symbol: H # 53 coordinates: [ 0.624721310000000, 0.796030330000000, 0.559873100000000 ] mass: 1.007940 - symbol: H # 54 coordinates: [ 0.875278690000000, 0.796030330000000, 0.059873100000000 ] mass: 1.007940 - symbol: H # 55 coordinates: [ 0.373310850000000, 0.398448540000000, 0.293022290000000 ] mass: 1.007940 - symbol: H # 56 coordinates: [ 0.626689150000000, 0.398448540000000, 0.206977710000000 ] mass: 1.007940 - symbol: H # 57 coordinates: [ 0.375278690000000, 0.203969670000000, 0.440126900000000 ] mass: 1.007940 - symbol: H # 58 coordinates: [ 0.626689150000000, 0.601551460000000, 0.706977710000000 ] mass: 1.007940 - symbol: H # 59 coordinates: [ 0.873310850000000, 0.398448540000000, 0.706977710000000 ] mass: 1.007940 - symbol: H # 60 coordinates: [ 0.373310850000000, 0.601551460000000, 0.793022290000000 ] mass: 1.007940 - symbol: H # 61 coordinates: [ 0.875278690000000, 0.203969670000000, 0.559873100000000 ] mass: 1.007940 - symbol: H # 62 coordinates: [ 0.873310850000000, 0.601551460000000, 0.206977710000000 ] mass: 1.007940 - symbol: H # 63 coordinates: [ 0.375278690000000, 0.796030330000000, 0.940126900000000 ] mass: 1.007940 - symbol: H # 64 coordinates: [ 0.624721310000000, 0.203969670000000, 0.059873100000000 ] mass: 1.007940 - symbol: O # 65 coordinates: [ 0.470418040000000, 0.193149220000000, 0.909523470000000 ] mass: 15.999400 - symbol: O # 66 coordinates: [ 0.459189360000000, 0.835094150000000, 0.598942640000000 ] mass: 15.999400 - symbol: O # 67 coordinates: [ 0.629475440000000, 0.483091200000000, 0.407276020000000 ] mass: 15.999400 - symbol: O # 68 coordinates: [ 0.124663730000000, 0.886521280000000, 0.493555090000000 ] mass: 15.999400 - symbol: O # 69 coordinates: [ 0.279140860000000, 0.171567360000000, 0.097779970000000 ] mass: 15.999400 - symbol: O # 70 coordinates: [ 0.220859140000000, 0.828432640000000, 0.097779970000000 ] mass: 15.999400 - symbol: O # 71 coordinates: [ 0.878023150000000, 0.513732730000000, 0.635943000000000 ] mass: 15.999400 - symbol: O # 72 coordinates: [ 0.211456380000000, 0.185293170000000, 0.406303850000000 ] mass: 15.999400 - symbol: O # 73 coordinates: [ 0.029581960000000, 0.806850780000000, 0.909523470000000 ] mass: 15.999400 - symbol: O # 74 coordinates: [ 0.621976850000000, 0.486267270000000, 0.635943000000000 ] mass: 15.999400 - symbol: O # 75 coordinates: [ 0.630358650000000, 0.270910520000000, 0.258230710000000 ] mass: 15.999400 - symbol: O # 76 coordinates: [ 0.459189360000000, 0.164905850000000, 0.098942640000000 ] mass: 15.999400 - symbol: O # 77 coordinates: [ 0.878023150000000, 0.486267270000000, 0.135943000000000 ] mass: 15.999400 - symbol: O # 78 coordinates: [ 0.621976850000000, 0.513732730000000, 0.135943000000000 ] mass: 15.999400 - symbol: O # 79 coordinates: [ 0.711456380000000, 0.814706830000000, 0.093696150000000 ] mass: 15.999400 - symbol: O # 80 coordinates: [ 0.959189360000000, 0.164905850000000, 0.901057360000000 ] mass: 15.999400 - symbol: O # 81 coordinates: [ 0.118669820000000, 0.807236690000000, 0.753873000000000 ] mass: 15.999400 - symbol: O # 82 coordinates: [ 0.711456380000000, 0.185293170000000, 0.593696150000000 ] mass: 15.999400 - symbol: O # 83 coordinates: [ 0.875336270000000, 0.886521280000000, 0.006444910000000 ] mass: 15.999400 - symbol: O # 84 coordinates: [ 0.378023150000000, 0.486267270000000, 0.864057000000000 ] mass: 15.999400 - symbol: O # 85 coordinates: [ 0.870524560000000, 0.483091200000000, 0.907276020000000 ] mass: 15.999400 - symbol: O # 86 coordinates: [ 0.381330180000000, 0.192763310000000, 0.753873000000000 ] mass: 15.999400 - symbol: O # 87 coordinates: [ 0.720859140000000, 0.171567360000000, 0.402220030000000 ] mass: 15.999400 - symbol: O # 88 coordinates: [ 0.870524560000000, 0.516908800000000, 0.407276020000000 ] mass: 15.999400 - symbol: O # 89 coordinates: [ 0.624663730000000, 0.886521280000000, 0.506444910000000 ] mass: 15.999400 - symbol: O # 90 coordinates: [ 0.381330180000000, 0.807236690000000, 0.253873000000000 ] mass: 15.999400 - symbol: O # 91 coordinates: [ 0.129475440000000, 0.516908800000000, 0.092723980000000 ] mass: 15.999400 - symbol: O # 92 coordinates: [ 0.375336270000000, 0.113478720000000, 0.493555090000000 ] mass: 15.999400 - symbol: O # 93 coordinates: [ 0.869641350000000, 0.270910520000000, 0.758230710000000 ] mass: 15.999400 - symbol: O # 94 coordinates: [ 0.529581960000000, 0.193149220000000, 0.590476530000000 ] mass: 15.999400 - symbol: O # 95 coordinates: [ 0.970418040000000, 0.806850780000000, 0.590476530000000 ] mass: 15.999400 - symbol: O # 96 coordinates: [ 0.279140860000000, 0.828432640000000, 0.597779970000000 ] mass: 15.999400 - symbol: O # 97 coordinates: [ 0.124663730000000, 0.113478720000000, 0.993555090000000 ] mass: 15.999400 - symbol: O # 98 coordinates: [ 0.629475440000000, 0.516908800000000, 0.907276020000000 ] mass: 15.999400 - symbol: O # 99 coordinates: [ 0.720859140000000, 0.828432640000000, 0.902220030000000 ] mass: 15.999400 - symbol: O # 100 coordinates: [ 0.959189360000000, 0.835094150000000, 0.401057360000000 ] mass: 15.999400 - symbol: O # 101 coordinates: [ 0.630358650000000, 0.729089480000000, 0.758230710000000 ] mass: 15.999400 - symbol: O # 102 coordinates: [ 0.130358650000000, 0.729089480000000, 0.241769290000000 ] mass: 15.999400 - symbol: O # 103 coordinates: [ 0.129475440000000, 0.483091200000000, 0.592723980000000 ] mass: 15.999400 - symbol: O # 104 coordinates: [ 0.370524560000000, 0.483091200000000, 0.092723980000000 ] mass: 15.999400 - symbol: O # 105 coordinates: [ 0.040810640000000, 0.835094150000000, 0.098942640000000 ] mass: 15.999400 - symbol: O # 106 coordinates: [ 0.121976850000000, 0.513732730000000, 0.864057000000000 ] mass: 15.999400 - symbol: O # 107 coordinates: [ 0.029581960000000, 0.193149220000000, 0.409523470000000 ] mass: 15.999400 - symbol: O # 108 coordinates: [ 0.130358650000000, 0.270910520000000, 0.741769290000000 ] mass: 15.999400 - symbol: O # 109 coordinates: [ 0.369641350000000, 0.270910520000000, 0.241769290000000 ] mass: 15.999400 - symbol: O # 110 coordinates: [ 0.121976850000000, 0.486267270000000, 0.364057000000000 ] mass: 15.999400 - symbol: O # 111 coordinates: [ 0.624663730000000, 0.113478720000000, 0.006444910000000 ] mass: 15.999400 - symbol: O # 112 coordinates: [ 0.040810640000000, 0.164905850000000, 0.598942640000000 ] mass: 15.999400 - symbol: O # 113 coordinates: [ 0.540810640000000, 0.835094150000000, 0.901057360000000 ] mass: 15.999400 - symbol: O # 114 coordinates: [ 0.881330180000000, 0.807236690000000, 0.746127000000000 ] mass: 15.999400 - symbol: O # 115 coordinates: [ 0.375336270000000, 0.886521280000000, 0.993555090000000 ] mass: 15.999400 - symbol: O # 116 coordinates: [ 0.378023150000000, 0.513732730000000, 0.364057000000000 ] mass: 15.999400 - symbol: O # 117 coordinates: [ 0.970418040000000, 0.193149220000000, 0.090476530000000 ] mass: 15.999400 - symbol: O # 118 coordinates: [ 0.788543620000000, 0.185293170000000, 0.093696150000000 ] mass: 15.999400 - symbol: O # 119 coordinates: [ 0.869641350000000, 0.729089480000000, 0.258230710000000 ] mass: 15.999400 - symbol: O # 120 coordinates: [ 0.779140860000000, 0.828432640000000, 0.402220030000000 ] mass: 15.999400 - symbol: O # 121 coordinates: [ 0.288543620000000, 0.185293170000000, 0.906303850000000 ] mass: 15.999400 - symbol: O # 122 coordinates: [ 0.369641350000000, 0.729089480000000, 0.741769290000000 ] mass: 15.999400 - symbol: O # 123 coordinates: [ 0.875336270000000, 0.113478720000000, 0.506444910000000 ] mass: 15.999400 - symbol: O # 124 coordinates: [ 0.788543620000000, 0.814706830000000, 0.593696150000000 ] mass: 15.999400 - symbol: O # 125 coordinates: [ 0.470418040000000, 0.806850780000000, 0.409523470000000 ] mass: 15.999400 - symbol: O # 126 coordinates: [ 0.779140860000000, 0.171567360000000, 0.902220030000000 ] mass: 15.999400 - symbol: O # 127 coordinates: [ 0.211456380000000, 0.814706830000000, 0.906303850000000 ] mass: 15.999400 - symbol: O # 128 coordinates: [ 0.618669820000000, 0.192763310000000, 0.746127000000000 ] mass: 15.999400 - symbol: O # 129 coordinates: [ 0.881330180000000, 0.192763310000000, 0.246127000000000 ] mass: 15.999400 - symbol: O # 130 coordinates: [ 0.529581960000000, 0.806850780000000, 0.090476530000000 ] mass: 15.999400 - symbol: O # 131 coordinates: [ 0.288543620000000, 0.814706830000000, 0.406303850000000 ] mass: 15.999400 - symbol: O # 132 coordinates: [ 0.220859140000000, 0.171567360000000, 0.597779970000000 ] mass: 15.999400 - symbol: O # 133 coordinates: [ 0.540810640000000, 0.164905850000000, 0.401057360000000 ] mass: 15.999400 - symbol: O # 134 coordinates: [ 0.118669820000000, 0.192763310000000, 0.253873000000000 ] mass: 15.999400 - symbol: O # 135 coordinates: [ 0.370524560000000, 0.516908800000000, 0.592723980000000 ] mass: 15.999400 - symbol: O # 136 coordinates: [ 0.618669820000000, 0.807236690000000, 0.246127000000000 ] mass: 15.999400 reciprocal_lattice: # without 2pi - [ 0.071191494497002, 0.000000000000000, 0.000000000000000 ] # a* - [ 0.000000000000000, 0.143726672181967, 0.000000000000000 ] # b* - [ 0.000000000000000, 0.000000000000000, 0.070959483071122 ] # c*unit_cell: lattice: - [ 14.046621820000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 6.957650830000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 14.092549110000000 ] # c points: - symbol: Na # 1 coordinates: [ 0.000000000000000, 0.960972230000000, 0.250000000000000 ] mass: 22.989769 reduced_to: 1 - symbol: Na # 2 coordinates: [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ] mass: 22.989769 reduced_to: 2 - symbol: Na # 3 coordinates: [ 0.250000000000000, 0.000000000000000, 0.753998690000000 ] mass: 22.989769 reduced_to: 3 - symbol: Na # 4 coordinates: [ 0.000000000000000, 0.500000000000000, 0.500000000000000 ] mass: 22.989769 reduced_to: 4 - symbol: Na # 5 coordinates: [ 0.500000000000000, 0.039027770000000, 0.250000000000000 ] mass: 22.989769 reduced_to: 5 - symbol: Na # 6 coordinates: [ 0.750000000000000, 0.000000000000000, 0.246001310000000 ] mass: 22.989769 reduced_to: 6 - symbol: Na # 7 coordinates: [ 0.000000000000000, 0.039027770000000, 0.750000000000000 ] mass: 22.989769 reduced_to: 7 - symbol: Na # 8 coordinates: [ 0.000000000000000, 0.500000000000000, 0.000000000000000 ] mass: 22.989769 reduced_to: 8 - symbol: Na # 9 coordinates: [ 0.250000000000000, 0.500000000000000, 0.477654240000000 ] mass: 22.989769 reduced_to: 9 - symbol: Na # 10 coordinates: [ 0.750000000000000, 0.500000000000000, 0.022345760000000 ] mass: 22.989769 reduced_to: 10 - symbol: Na # 11 coordinates: [ 0.750000000000000, 0.500000000000000, 0.522345760000000 ] mass: 22.989769 reduced_to: 11 - symbol: Na # 12 coordinates: [ 0.750000000000000, 0.000000000000000, 0.746001310000000 ] mass: 22.989769 reduced_to: 12 - symbol: Na # 13 coordinates: [ 0.250000000000000, 0.000000000000000, 0.253998690000000 ] mass: 22.989769 reduced_to: 13 - symbol: Na # 14 coordinates: [ 0.500000000000000, 0.500000000000000, 0.500000000000000 ] mass: 22.989769 reduced_to: 14 - symbol: Na # 15 coordinates: [ 0.500000000000000, 0.960972230000000, 0.750000000000000 ] mass: 22.989769 reduced_to: 15 - symbol: Na # 16 coordinates: [ 0.250000000000000, 0.500000000000000, 0.977654240000000 ] mass: 22.989769 reduced_to: 16 - symbol: Li # 17 coordinates: [ 0.123459240000000, 0.256856610000000, 0.124947140000000 ] mass: 6.941000 reduced_to: 17 - symbol: Li # 18 coordinates: [ 0.876540760000000, 0.256856610000000, 0.375052860000000 ] mass: 6.941000 reduced_to: 18 - symbol: Li # 19 coordinates: [ 0.376540760000000, 0.256856610000000, 0.624947140000000 ] mass: 6.941000 reduced_to: 19 - symbol: Li # 20 coordinates: [ 0.876540760000000, 0.743143390000000, 0.875052860000000 ] mass: 6.941000 reduced_to: 20 - symbol: Li # 21 coordinates: [ 0.123459240000000, 0.743143390000000, 0.624947140000000 ] mass: 6.941000 reduced_to: 21 - symbol: Li # 22 coordinates: [ 0.623459240000000, 0.256856610000000, 0.875052860000000 ] mass: 6.941000 reduced_to: 22 - symbol: Li # 23 coordinates: [ 0.623459240000000, 0.743143390000000, 0.375052860000000 ] mass: 6.941000 reduced_to: 23 - symbol: Li # 24 coordinates: [ 0.376540760000000, 0.743143390000000, 0.124947140000000 ] mass: 6.941000 reduced_to: 24 - symbol: Al # 25 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 26.981539 reduced_to: 25 - symbol: Al # 26 coordinates: [ 0.500000000000000, 0.000000000000000, 0.500000000000000 ] mass: 26.981539 reduced_to: 26 - symbol: Al # 27 coordinates: [ 0.250000000000000, 0.000000000000000, 0.497156480000000 ] mass: 26.981539 reduced_to: 27 - symbol: Al # 28 coordinates: [ 0.750000000000000, 0.000000000000000, 0.502843520000000 ] mass: 26.981539 reduced_to: 28 - symbol: Al # 29 coordinates: [ 0.500000000000000, 0.000000000000000, 0.000000000000000 ] mass: 26.981539 reduced_to: 29 - symbol: Al # 30 coordinates: [ 0.250000000000000, 0.000000000000000, 0.997156480000000 ] mass: 26.981539 reduced_to: 30 - symbol: Al # 31 coordinates: [ 0.750000000000000, 0.000000000000000, 0.002843520000000 ] mass: 26.981539 reduced_to: 31 - symbol: Al # 32 coordinates: [ 0.000000000000000, 0.000000000000000, 0.500000000000000 ] mass: 26.981539 reduced_to: 32 - symbol: P # 33 coordinates: [ 0.869768080000000, 0.279234670000000, 0.869037100000000 ] mass: 30.973762 reduced_to: 33 - symbol: P # 34 coordinates: [ 0.379697760000000, 0.263520550000000, 0.855936820000000 ] mass: 30.973762 reduced_to: 34 - symbol: P # 35 coordinates: [ 0.369768080000000, 0.720765330000000, 0.630962900000000 ] mass: 30.973762 reduced_to: 35 - symbol: P # 36 coordinates: [ 0.869768080000000, 0.720765330000000, 0.369037100000000 ] mass: 30.973762 reduced_to: 36 - symbol: P # 37 coordinates: [ 0.879697760000000, 0.263520550000000, 0.144063180000000 ] mass: 30.973762 reduced_to: 37 - symbol: P # 38 coordinates: [ 0.879697760000000, 0.736479450000000, 0.644063180000000 ] mass: 30.973762 reduced_to: 38 - symbol: P # 39 coordinates: [ 0.120302240000000, 0.263520550000000, 0.355936820000000 ] mass: 30.973762 reduced_to: 39 - symbol: P # 40 coordinates: [ 0.630231920000000, 0.720765330000000, 0.869037100000000 ] mass: 30.973762 reduced_to: 40 - symbol: P # 41 coordinates: [ 0.369768080000000, 0.279234670000000, 0.130962900000000 ] mass: 30.973762 reduced_to: 41 - symbol: P # 42 coordinates: [ 0.130231920000000, 0.720765330000000, 0.130962900000000 ] mass: 30.973762 reduced_to: 42 - symbol: P # 43 coordinates: [ 0.120302240000000, 0.736479450000000, 0.855936820000000 ] mass: 30.973762 reduced_to: 43 - symbol: P # 44 coordinates: [ 0.630231920000000, 0.279234670000000, 0.369037100000000 ] mass: 30.973762 reduced_to: 44 - symbol: P # 45 coordinates: [ 0.130231920000000, 0.279234670000000, 0.630962900000000 ] mass: 30.973762 reduced_to: 45 - symbol: P # 46 coordinates: [ 0.379697760000000, 0.736479450000000, 0.355936820000000 ] mass: 30.973762 reduced_to: 46 - symbol: P # 47 coordinates: [ 0.620302240000000, 0.263520550000000, 0.644063180000000 ] mass: 30.973762 reduced_to: 47 - symbol: P # 48 coordinates: [ 0.620302240000000, 0.736479450000000, 0.144063180000000 ] mass: 30.973762 reduced_to: 48 - symbol: H # 49 coordinates: [ 0.126689150000000, 0.601551460000000, 0.293022290000000 ] mass: 1.007940 reduced_to: 49 - symbol: H # 50 coordinates: [ 0.126689150000000, 0.398448540000000, 0.793022290000000 ] mass: 1.007940 reduced_to: 50 - symbol: H # 51 coordinates: [ 0.124721310000000, 0.203969670000000, 0.940126900000000 ] mass: 1.007940 reduced_to: 51 - symbol: H # 52 coordinates: [ 0.124721310000000, 0.796030330000000, 0.440126900000000 ] mass: 1.007940 reduced_to: 52 - symbol: H # 53 coordinates: [ 0.624721310000000, 0.796030330000000, 0.559873100000000 ] mass: 1.007940 reduced_to: 53 - symbol: H # 54 coordinates: [ 0.875278690000000, 0.796030330000000, 0.059873100000000 ] mass: 1.007940 reduced_to: 54 - symbol: H # 55 coordinates: [ 0.373310850000000, 0.398448540000000, 0.293022290000000 ] mass: 1.007940 reduced_to: 55 - symbol: H # 56 coordinates: [ 0.626689150000000, 0.398448540000000, 0.206977710000000 ] mass: 1.007940 reduced_to: 56 - symbol: H # 57 coordinates: [ 0.375278690000000, 0.203969670000000, 0.440126900000000 ] mass: 1.007940 reduced_to: 57 - symbol: H # 58 coordinates: [ 0.626689150000000, 0.601551460000000, 0.706977710000000 ] mass: 1.007940 reduced_to: 58 - symbol: H # 59 coordinates: [ 0.873310850000000, 0.398448540000000, 0.706977710000000 ] mass: 1.007940 reduced_to: 59 - symbol: H # 60 coordinates: [ 0.373310850000000, 0.601551460000000, 0.793022290000000 ] mass: 1.007940 reduced_to: 60 - symbol: H # 61 coordinates: [ 0.875278690000000, 0.203969670000000, 0.559873100000000 ] mass: 1.007940 reduced_to: 61 - symbol: H # 62 coordinates: [ 0.873310850000000, 0.601551460000000, 0.206977710000000 ] mass: 1.007940 reduced_to: 62 - symbol: H # 63 coordinates: [ 0.375278690000000, 0.796030330000000, 0.940126900000000 ] mass: 1.007940 reduced_to: 63 - symbol: H # 64 coordinates: [ 0.624721310000000, 0.203969670000000, 0.059873100000000 ] mass: 1.007940 reduced_to: 64 - symbol: O # 65 coordinates: [ 0.470418040000000, 0.193149220000000, 0.909523470000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 66 coordinates: [ 0.459189360000000, 0.835094150000000, 0.598942640000000 ] mass: 15.999400 reduced_to: 66 - symbol: O # 67 coordinates: [ 0.629475440000000, 0.483091200000000, 0.407276020000000 ] mass: 15.999400 reduced_to: 67 - symbol: O # 68 coordinates: [ 0.124663730000000, 0.886521280000000, 0.493555090000000 ] mass: 15.999400 reduced_to: 68 - symbol: O # 69 coordinates: [ 0.279140860000000, 0.171567360000000, 0.097779970000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 70 coordinates: [ 0.220859140000000, 0.828432640000000, 0.097779970000000 ] mass: 15.999400 reduced_to: 70 - symbol: O # 71 coordinates: [ 0.878023150000000, 0.513732730000000, 0.635943000000000 ] mass: 15.999400 reduced_to: 71 - symbol: O # 72 coordinates: [ 0.211456380000000, 0.185293170000000, 0.406303850000000 ] mass: 15.999400 reduced_to: 72 - symbol: O # 73 coordinates: [ 0.029581960000000, 0.806850780000000, 0.909523470000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 74 coordinates: [ 0.621976850000000, 0.486267270000000, 0.635943000000000 ] mass: 15.999400 reduced_to: 74 - symbol: O # 75 coordinates: [ 0.630358650000000, 0.270910520000000, 0.258230710000000 ] mass: 15.999400 reduced_to: 75 - symbol: O # 76 coordinates: [ 0.459189360000000, 0.164905850000000, 0.098942640000000 ] mass: 15.999400 reduced_to: 76 - symbol: O # 77 coordinates: [ 0.878023150000000, 0.486267270000000, 0.135943000000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 78 coordinates: [ 0.621976850000000, 0.513732730000000, 0.135943000000000 ] mass: 15.999400 reduced_to: 78 - symbol: O # 79 coordinates: [ 0.711456380000000, 0.814706830000000, 0.093696150000000 ] mass: 15.999400 reduced_to: 79 - symbol: O # 80 coordinates: [ 0.959189360000000, 0.164905850000000, 0.901057360000000 ] mass: 15.999400 reduced_to: 80 - symbol: O # 81 coordinates: [ 0.118669820000000, 0.807236690000000, 0.753873000000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 82 coordinates: [ 0.711456380000000, 0.185293170000000, 0.593696150000000 ] mass: 15.999400 reduced_to: 82 - symbol: O # 83 coordinates: [ 0.875336270000000, 0.886521280000000, 0.006444910000000 ] mass: 15.999400 reduced_to: 83 - symbol: O # 84 coordinates: [ 0.378023150000000, 0.486267270000000, 0.864057000000000 ] mass: 15.999400 reduced_to: 84 - symbol: O # 85 coordinates: [ 0.870524560000000, 0.483091200000000, 0.907276020000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 86 coordinates: [ 0.381330180000000, 0.192763310000000, 0.753873000000000 ] mass: 15.999400 reduced_to: 86 - symbol: O # 87 coordinates: [ 0.720859140000000, 0.171567360000000, 0.402220030000000 ] mass: 15.999400 reduced_to: 87 - symbol: O # 88 coordinates: [ 0.870524560000000, 0.516908800000000, 0.407276020000000 ] mass: 15.999400 reduced_to: 88 - symbol: O # 89 coordinates: [ 0.624663730000000, 0.886521280000000, 0.506444910000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 90 coordinates: [ 0.381330180000000, 0.807236690000000, 0.253873000000000 ] mass: 15.999400 reduced_to: 90 - symbol: O # 91 coordinates: [ 0.129475440000000, 0.516908800000000, 0.092723980000000 ] mass: 15.999400 reduced_to: 91 - symbol: O # 92 coordinates: [ 0.375336270000000, 0.113478720000000, 0.493555090000000 ] mass: 15.999400 reduced_to: 92 - symbol: O # 93 coordinates: [ 0.869641350000000, 0.270910520000000, 0.758230710000000 ] mass: 15.999400 reduced_to: 93 - symbol: O # 94 coordinates: [ 0.529581960000000, 0.193149220000000, 0.590476530000000 ] mass: 15.999400 reduced_to: 94 - symbol: O # 95 coordinates: [ 0.970418040000000, 0.806850780000000, 0.590476530000000 ] mass: 15.999400 reduced_to: 95 - symbol: O # 96 coordinates: [ 0.279140860000000, 0.828432640000000, 0.597779970000000 ] mass: 15.999400 reduced_to: 96 - symbol: O # 97 coordinates: [ 0.124663730000000, 0.113478720000000, 0.993555090000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 98 coordinates: [ 0.629475440000000, 0.516908800000000, 0.907276020000000 ] mass: 15.999400 reduced_to: 98 - symbol: O # 99 coordinates: [ 0.720859140000000, 0.828432640000000, 0.902220030000000 ] mass: 15.999400 reduced_to: 99 - symbol: O # 100 coordinates: [ 0.959189360000000, 0.835094150000000, 0.401057360000000 ] mass: 15.999400 reduced_to: 100 - symbol: O # 101 coordinates: [ 0.630358650000000, 0.729089480000000, 0.758230710000000 ] mass: 15.999400 reduced_to: 101 - symbol: O # 102 coordinates: [ 0.130358650000000, 0.729089480000000, 0.241769290000000 ] mass: 15.999400 reduced_to: 102 - symbol: O # 103 coordinates: [ 0.129475440000000, 0.483091200000000, 0.592723980000000 ] mass: 15.999400 reduced_to: 103 - symbol: O # 104 coordinates: [ 0.370524560000000, 0.483091200000000, 0.092723980000000 ] mass: 15.999400 reduced_to: 104 - symbol: O # 105 coordinates: [ 0.040810640000000, 0.835094150000000, 0.098942640000000 ] mass: 15.999400 reduced_to: 105 - symbol: O # 106 coordinates: [ 0.121976850000000, 0.513732730000000, 0.864057000000000 ] mass: 15.999400 reduced_to: 106 - symbol: O # 107 coordinates: [ 0.029581960000000, 0.193149220000000, 0.409523470000000 ] mass: 15.999400 reduced_to: 107 - symbol: O # 108 coordinates: [ 0.130358650000000, 0.270910520000000, 0.741769290000000 ] mass: 15.999400 reduced_to: 108 - symbol: O # 109 coordinates: [ 0.369641350000000, 0.270910520000000, 0.241769290000000 ] mass: 15.999400 reduced_to: 109 - symbol: O # 110 coordinates: [ 0.121976850000000, 0.486267270000000, 0.364057000000000 ] mass: 15.999400 reduced_to: 110 - symbol: O # 111 coordinates: [ 0.624663730000000, 0.113478720000000, 0.006444910000000 ] mass: 15.999400 reduced_to: 111 - symbol: O # 112 coordinates: [ 0.040810640000000, 0.164905850000000, 0.598942640000000 ] mass: 15.999400 reduced_to: 112 - symbol: O # 113 coordinates: [ 0.540810640000000, 0.835094150000000, 0.901057360000000 ] mass: 15.999400 reduced_to: 113 - symbol: O # 114 coordinates: [ 0.881330180000000, 0.807236690000000, 0.746127000000000 ] mass: 15.999400 reduced_to: 114 - symbol: O # 115 coordinates: [ 0.375336270000000, 0.886521280000000, 0.993555090000000 ] mass: 15.999400 reduced_to: 115 - symbol: O # 116 coordinates: [ 0.378023150000000, 0.513732730000000, 0.364057000000000 ] mass: 15.999400 reduced_to: 116 - symbol: O # 117 coordinates: [ 0.970418040000000, 0.193149220000000, 0.090476530000000 ] mass: 15.999400 reduced_to: 117 - symbol: O # 118 coordinates: [ 0.788543620000000, 0.185293170000000, 0.093696150000000 ] mass: 15.999400 reduced_to: 118 - symbol: O # 119 coordinates: [ 0.869641350000000, 0.729089480000000, 0.258230710000000 ] mass: 15.999400 reduced_to: 119 - symbol: O # 120 coordinates: [ 0.779140860000000, 0.828432640000000, 0.402220030000000 ] mass: 15.999400 reduced_to: 120 - symbol: O # 121 coordinates: [ 0.288543620000000, 0.185293170000000, 0.906303850000000 ] mass: 15.999400 reduced_to: 121 - symbol: O # 122 coordinates: [ 0.369641350000000, 0.729089480000000, 0.741769290000000 ] mass: 15.999400 reduced_to: 122 - symbol: O # 123 coordinates: [ 0.875336270000000, 0.113478720000000, 0.506444910000000 ] mass: 15.999400 reduced_to: 123 - symbol: O # 124 coordinates: [ 0.788543620000000, 0.814706830000000, 0.593696150000000 ] mass: 15.999400 reduced_to: 124 - symbol: O # 125 coordinates: [ 0.470418040000000, 0.806850780000000, 0.409523470000000 ] mass: 15.999400 reduced_to: 125 - symbol: O # 126 coordinates: [ 0.779140860000000, 0.171567360000000, 0.902220030000000 ] mass: 15.999400 reduced_to: 126 - symbol: O # 127 coordinates: [ 0.211456380000000, 0.814706830000000, 0.906303850000000 ] mass: 15.999400 reduced_to: 127 - symbol: O # 128 coordinates: [ 0.618669820000000, 0.192763310000000, 0.746127000000000 ] mass: 15.999400 reduced_to: 128 - symbol: O # 129 coordinates: [ 0.881330180000000, 0.192763310000000, 0.246127000000000 ] mass: 15.999400 reduced_to: 129 - symbol: O # 130 coordinates: [ 0.529581960000000, 0.806850780000000, 0.090476530000000 ] mass: 15.999400 reduced_to: 130 - symbol: O # 131 coordinates: [ 0.288543620000000, 0.814706830000000, 0.406303850000000 ] mass: 15.999400 reduced_to: 131 - symbol: O # 132 coordinates: [ 0.220859140000000, 0.171567360000000, 0.597779970000000 ] mass: 15.999400 reduced_to: 132 - symbol: O # 133 coordinates: [ 0.540810640000000, 0.164905850000000, 0.401057360000000 ] mass: 15.999400 reduced_to: 133 - symbol: O # 134 coordinates: [ 0.118669820000000, 0.192763310000000, 0.253873000000000 ] mass: 15.999400 reduced_to: 134 - symbol: O # 135 coordinates: [ 0.370524560000000, 0.516908800000000, 0.592723980000000 ] mass: 15.999400 reduced_to: 135 - symbol: O # 136 coordinates: [ 0.618669820000000, 0.807236690000000, 0.246127000000000 ] mass: 15.999400 reduced_to: 136supercell: lattice: - [ 14.046621820000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 6.957650830000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 14.092549110000000 ] # c points: - symbol: Na # 1 coordinates: [ 0.000000000000000, 0.960972230000000, 0.250000000000000 ] mass: 22.989769 reduced_to: 1 - symbol: Na # 2 coordinates: [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ] mass: 22.989769 reduced_to: 2 - symbol: Na # 3 coordinates: [ 0.250000000000000, 0.000000000000000, 0.753998690000000 ] mass: 22.989769 reduced_to: 3 - symbol: Na # 4 coordinates: [ 0.000000000000000, 0.500000000000000, 0.500000000000000 ] mass: 22.989769 reduced_to: 4 - symbol: Na # 5 coordinates: [ 0.500000000000000, 0.039027770000000, 0.250000000000000 ] mass: 22.989769 reduced_to: 5 - symbol: Na # 6 coordinates: [ 0.750000000000000, 0.000000000000000, 0.246001310000000 ] mass: 22.989769 reduced_to: 6 - symbol: Na # 7 coordinates: [ 0.000000000000000, 0.039027770000000, 0.750000000000000 ] mass: 22.989769 reduced_to: 7 - symbol: Na # 8 coordinates: [ 0.000000000000000, 0.500000000000000, 0.000000000000000 ] mass: 22.989769 reduced_to: 8 - symbol: Na # 9 coordinates: [ 0.250000000000000, 0.500000000000000, 0.477654240000000 ] mass: 22.989769 reduced_to: 9 - symbol: Na # 10 coordinates: [ 0.750000000000000, 0.500000000000000, 0.022345760000000 ] mass: 22.989769 reduced_to: 10 - symbol: Na # 11 coordinates: [ 0.750000000000000, 0.500000000000000, 0.522345760000000 ] mass: 22.989769 reduced_to: 11 - symbol: Na # 12 coordinates: [ 0.750000000000000, 0.000000000000000, 0.746001310000000 ] mass: 22.989769 reduced_to: 12 - symbol: Na # 13 coordinates: [ 0.250000000000000, 0.000000000000000, 0.253998690000000 ] mass: 22.989769 reduced_to: 13 - symbol: Na # 14 coordinates: [ 0.500000000000000, 0.500000000000000, 0.500000000000000 ] mass: 22.989769 reduced_to: 14 - symbol: Na # 15 coordinates: [ 0.500000000000000, 0.960972230000000, 0.750000000000000 ] mass: 22.989769 reduced_to: 15 - symbol: Na # 16 coordinates: [ 0.250000000000000, 0.500000000000000, 0.977654240000000 ] mass: 22.989769 reduced_to: 16 - symbol: Li # 17 coordinates: [ 0.123459240000000, 0.256856610000000, 0.124947140000000 ] mass: 6.941000 reduced_to: 17 - symbol: Li # 18 coordinates: [ 0.876540760000000, 0.256856610000000, 0.375052860000000 ] mass: 6.941000 reduced_to: 18 - symbol: Li # 19 coordinates: [ 0.376540760000000, 0.256856610000000, 0.624947140000000 ] mass: 6.941000 reduced_to: 19 - symbol: Li # 20 coordinates: [ 0.876540760000000, 0.743143390000000, 0.875052860000000 ] mass: 6.941000 reduced_to: 20 - symbol: Li # 21 coordinates: [ 0.123459240000000, 0.743143390000000, 0.624947140000000 ] mass: 6.941000 reduced_to: 21 - symbol: Li # 22 coordinates: [ 0.623459240000000, 0.256856610000000, 0.875052860000000 ] mass: 6.941000 reduced_to: 22 - symbol: Li # 23 coordinates: [ 0.623459240000000, 0.743143390000000, 0.375052860000000 ] mass: 6.941000 reduced_to: 23 - symbol: Li # 24 coordinates: [ 0.376540760000000, 0.743143390000000, 0.124947140000000 ] mass: 6.941000 reduced_to: 24 - symbol: Al # 25 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 26.981539 reduced_to: 25 - symbol: Al # 26 coordinates: [ 0.500000000000000, 0.000000000000000, 0.500000000000000 ] mass: 26.981539 reduced_to: 26 - symbol: Al # 27 coordinates: [ 0.250000000000000, 0.000000000000000, 0.497156480000000 ] mass: 26.981539 reduced_to: 27 - symbol: Al # 28 coordinates: [ 0.750000000000000, 0.000000000000000, 0.502843520000000 ] mass: 26.981539 reduced_to: 28 - symbol: Al # 29 coordinates: [ 0.500000000000000, 0.000000000000000, 0.000000000000000 ] mass: 26.981539 reduced_to: 29 - symbol: Al # 30 coordinates: [ 0.250000000000000, 0.000000000000000, 0.997156480000000 ] mass: 26.981539 reduced_to: 30 - symbol: Al # 31 coordinates: [ 0.750000000000000, 0.000000000000000, 0.002843520000000 ] mass: 26.981539 reduced_to: 31 - symbol: Al # 32 coordinates: [ 0.000000000000000, 0.000000000000000, 0.500000000000000 ] mass: 26.981539 reduced_to: 32 - symbol: P # 33 coordinates: [ 0.869768080000000, 0.279234670000000, 0.869037100000000 ] mass: 30.973762 reduced_to: 33 - symbol: P # 34 coordinates: [ 0.379697760000000, 0.263520550000000, 0.855936820000000 ] mass: 30.973762 reduced_to: 34 - symbol: P # 35 coordinates: [ 0.369768080000000, 0.720765330000000, 0.630962900000000 ] mass: 30.973762 reduced_to: 35 - symbol: P # 36 coordinates: [ 0.869768080000000, 0.720765330000000, 0.369037100000000 ] mass: 30.973762 reduced_to: 36 - symbol: P # 37 coordinates: [ 0.879697760000000, 0.263520550000000, 0.144063180000000 ] mass: 30.973762 reduced_to: 37 - symbol: P # 38 coordinates: [ 0.879697760000000, 0.736479450000000, 0.644063180000000 ] mass: 30.973762 reduced_to: 38 - symbol: P # 39 coordinates: [ 0.120302240000000, 0.263520550000000, 0.355936820000000 ] mass: 30.973762 reduced_to: 39 - symbol: P # 40 coordinates: [ 0.630231920000000, 0.720765330000000, 0.869037100000000 ] mass: 30.973762 reduced_to: 40 - symbol: P # 41 coordinates: [ 0.369768080000000, 0.279234670000000, 0.130962900000000 ] mass: 30.973762 reduced_to: 41 - symbol: P # 42 coordinates: [ 0.130231920000000, 0.720765330000000, 0.130962900000000 ] mass: 30.973762 reduced_to: 42 - symbol: P # 43 coordinates: [ 0.120302240000000, 0.736479450000000, 0.855936820000000 ] mass: 30.973762 reduced_to: 43 - symbol: P # 44 coordinates: [ 0.630231920000000, 0.279234670000000, 0.369037100000000 ] mass: 30.973762 reduced_to: 44 - symbol: P # 45 coordinates: [ 0.130231920000000, 0.279234670000000, 0.630962900000000 ] mass: 30.973762 reduced_to: 45 - symbol: P # 46 coordinates: [ 0.379697760000000, 0.736479450000000, 0.355936820000000 ] mass: 30.973762 reduced_to: 46 - symbol: P # 47 coordinates: [ 0.620302240000000, 0.263520550000000, 0.644063180000000 ] mass: 30.973762 reduced_to: 47 - symbol: P # 48 coordinates: [ 0.620302240000000, 0.736479450000000, 0.144063180000000 ] mass: 30.973762 reduced_to: 48 - symbol: H # 49 coordinates: [ 0.126689150000000, 0.601551460000000, 0.293022290000000 ] mass: 1.007940 reduced_to: 49 - symbol: H # 50 coordinates: [ 0.126689150000000, 0.398448540000000, 0.793022290000000 ] mass: 1.007940 reduced_to: 50 - symbol: H # 51 coordinates: [ 0.124721310000000, 0.203969670000000, 0.940126900000000 ] mass: 1.007940 reduced_to: 51 - symbol: H # 52 coordinates: [ 0.124721310000000, 0.796030330000000, 0.440126900000000 ] mass: 1.007940 reduced_to: 52 - symbol: H # 53 coordinates: [ 0.624721310000000, 0.796030330000000, 0.559873100000000 ] mass: 1.007940 reduced_to: 53 - symbol: H # 54 coordinates: [ 0.875278690000000, 0.796030330000000, 0.059873100000000 ] mass: 1.007940 reduced_to: 54 - symbol: H # 55 coordinates: [ 0.373310850000000, 0.398448540000000, 0.293022290000000 ] mass: 1.007940 reduced_to: 55 - symbol: H # 56 coordinates: [ 0.626689150000000, 0.398448540000000, 0.206977710000000 ] mass: 1.007940 reduced_to: 56 - symbol: H # 57 coordinates: [ 0.375278690000000, 0.203969670000000, 0.440126900000000 ] mass: 1.007940 reduced_to: 57 - symbol: H # 58 coordinates: [ 0.626689150000000, 0.601551460000000, 0.706977710000000 ] mass: 1.007940 reduced_to: 58 - symbol: H # 59 coordinates: [ 0.873310850000000, 0.398448540000000, 0.706977710000000 ] mass: 1.007940 reduced_to: 59 - symbol: H # 60 coordinates: [ 0.373310850000000, 0.601551460000000, 0.793022290000000 ] mass: 1.007940 reduced_to: 60 - symbol: H # 61 coordinates: [ 0.875278690000000, 0.203969670000000, 0.559873100000000 ] mass: 1.007940 reduced_to: 61 - symbol: H # 62 coordinates: [ 0.873310850000000, 0.601551460000000, 0.206977710000000 ] mass: 1.007940 reduced_to: 62 - symbol: H # 63 coordinates: [ 0.375278690000000, 0.796030330000000, 0.940126900000000 ] mass: 1.007940 reduced_to: 63 - symbol: H # 64 coordinates: [ 0.624721310000000, 0.203969670000000, 0.059873100000000 ] mass: 1.007940 reduced_to: 64 - symbol: O # 65 coordinates: [ 0.470418040000000, 0.193149220000000, 0.909523470000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 66 coordinates: [ 0.459189360000000, 0.835094150000000, 0.598942640000000 ] mass: 15.999400 reduced_to: 66 - symbol: O # 67 coordinates: [ 0.629475440000000, 0.483091200000000, 0.407276020000000 ] mass: 15.999400 reduced_to: 67 - symbol: O # 68 coordinates: [ 0.124663730000000, 0.886521280000000, 0.493555090000000 ] mass: 15.999400 reduced_to: 68 - symbol: O # 69 coordinates: [ 0.279140860000000, 0.171567360000000, 0.097779970000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 70 coordinates: [ 0.220859140000000, 0.828432640000000, 0.097779970000000 ] mass: 15.999400 reduced_to: 70 - symbol: O # 71 coordinates: [ 0.878023150000000, 0.513732730000000, 0.635943000000000 ] mass: 15.999400 reduced_to: 71 - symbol: O # 72 coordinates: [ 0.211456380000000, 0.185293170000000, 0.406303850000000 ] mass: 15.999400 reduced_to: 72 - symbol: O # 73 coordinates: [ 0.029581960000000, 0.806850780000000, 0.909523470000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 74 coordinates: [ 0.621976850000000, 0.486267270000000, 0.635943000000000 ] mass: 15.999400 reduced_to: 74 - symbol: O # 75 coordinates: [ 0.630358650000000, 0.270910520000000, 0.258230710000000 ] mass: 15.999400 reduced_to: 75 - symbol: O # 76 coordinates: [ 0.459189360000000, 0.164905850000000, 0.098942640000000 ] mass: 15.999400 reduced_to: 76 - symbol: O # 77 coordinates: [ 0.878023150000000, 0.486267270000000, 0.135943000000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 78 coordinates: [ 0.621976850000000, 0.513732730000000, 0.135943000000000 ] mass: 15.999400 reduced_to: 78 - symbol: O # 79 coordinates: [ 0.711456380000000, 0.814706830000000, 0.093696150000000 ] mass: 15.999400 reduced_to: 79 - symbol: O # 80 coordinates: [ 0.959189360000000, 0.164905850000000, 0.901057360000000 ] mass: 15.999400 reduced_to: 80 - symbol: O # 81 coordinates: [ 0.118669820000000, 0.807236690000000, 0.753873000000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 82 coordinates: [ 0.711456380000000, 0.185293170000000, 0.593696150000000 ] mass: 15.999400 reduced_to: 82 - symbol: O # 83 coordinates: [ 0.875336270000000, 0.886521280000000, 0.006444910000000 ] mass: 15.999400 reduced_to: 83 - symbol: O # 84 coordinates: [ 0.378023150000000, 0.486267270000000, 0.864057000000000 ] mass: 15.999400 reduced_to: 84 - symbol: O # 85 coordinates: [ 0.870524560000000, 0.483091200000000, 0.907276020000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 86 coordinates: [ 0.381330180000000, 0.192763310000000, 0.753873000000000 ] mass: 15.999400 reduced_to: 86 - symbol: O # 87 coordinates: [ 0.720859140000000, 0.171567360000000, 0.402220030000000 ] mass: 15.999400 reduced_to: 87 - symbol: O # 88 coordinates: [ 0.870524560000000, 0.516908800000000, 0.407276020000000 ] mass: 15.999400 reduced_to: 88 - symbol: O # 89 coordinates: [ 0.624663730000000, 0.886521280000000, 0.506444910000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 90 coordinates: [ 0.381330180000000, 0.807236690000000, 0.253873000000000 ] mass: 15.999400 reduced_to: 90 - symbol: O # 91 coordinates: [ 0.129475440000000, 0.516908800000000, 0.092723980000000 ] mass: 15.999400 reduced_to: 91 - symbol: O # 92 coordinates: [ 0.375336270000000, 0.113478720000000, 0.493555090000000 ] mass: 15.999400 reduced_to: 92 - symbol: O # 93 coordinates: [ 0.869641350000000, 0.270910520000000, 0.758230710000000 ] mass: 15.999400 reduced_to: 93 - symbol: O # 94 coordinates: [ 0.529581960000000, 0.193149220000000, 0.590476530000000 ] mass: 15.999400 reduced_to: 94 - symbol: O # 95 coordinates: [ 0.970418040000000, 0.806850780000000, 0.590476530000000 ] mass: 15.999400 reduced_to: 95 - symbol: O # 96 coordinates: [ 0.279140860000000, 0.828432640000000, 0.597779970000000 ] mass: 15.999400 reduced_to: 96 - symbol: O # 97 coordinates: [ 0.124663730000000, 0.113478720000000, 0.993555090000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 98 coordinates: [ 0.629475440000000, 0.516908800000000, 0.907276020000000 ] mass: 15.999400 reduced_to: 98 - symbol: O # 99 coordinates: [ 0.720859140000000, 0.828432640000000, 0.902220030000000 ] mass: 15.999400 reduced_to: 99 - symbol: O # 100 coordinates: [ 0.959189360000000, 0.835094150000000, 0.401057360000000 ] mass: 15.999400 reduced_to: 100 - symbol: O # 101 coordinates: [ 0.630358650000000, 0.729089480000000, 0.758230710000000 ] mass: 15.999400 reduced_to: 101 - symbol: O # 102 coordinates: [ 0.130358650000000, 0.729089480000000, 0.241769290000000 ] mass: 15.999400 reduced_to: 102 - symbol: O # 103 coordinates: [ 0.129475440000000, 0.483091200000000, 0.592723980000000 ] mass: 15.999400 reduced_to: 103 - symbol: O # 104 coordinates: [ 0.370524560000000, 0.483091200000000, 0.092723980000000 ] mass: 15.999400 reduced_to: 104 - symbol: O # 105 coordinates: [ 0.040810640000000, 0.835094150000000, 0.098942640000000 ] mass: 15.999400 reduced_to: 105 - symbol: O # 106 coordinates: [ 0.121976850000000, 0.513732730000000, 0.864057000000000 ] mass: 15.999400 reduced_to: 106 - symbol: O # 107 coordinates: [ 0.029581960000000, 0.193149220000000, 0.409523470000000 ] mass: 15.999400 reduced_to: 107 - symbol: O # 108 coordinates: [ 0.130358650000000, 0.270910520000000, 0.741769290000000 ] mass: 15.999400 reduced_to: 108 - symbol: O # 109 coordinates: [ 0.369641350000000, 0.270910520000000, 0.241769290000000 ] mass: 15.999400 reduced_to: 109 - symbol: O # 110 coordinates: [ 0.121976850000000, 0.486267270000000, 0.364057000000000 ] mass: 15.999400 reduced_to: 110 - symbol: O # 111 coordinates: [ 0.624663730000000, 0.113478720000000, 0.006444910000000 ] mass: 15.999400 reduced_to: 111 - symbol: O # 112 coordinates: [ 0.040810640000000, 0.164905850000000, 0.598942640000000 ] mass: 15.999400 reduced_to: 112 - symbol: O # 113 coordinates: [ 0.540810640000000, 0.835094150000000, 0.901057360000000 ] mass: 15.999400 reduced_to: 113 - symbol: O # 114 coordinates: [ 0.881330180000000, 0.807236690000000, 0.746127000000000 ] mass: 15.999400 reduced_to: 114 - symbol: O # 115 coordinates: [ 0.375336270000000, 0.886521280000000, 0.993555090000000 ] mass: 15.999400 reduced_to: 115 - symbol: O # 116 coordinates: [ 0.378023150000000, 0.513732730000000, 0.364057000000000 ] mass: 15.999400 reduced_to: 116 - symbol: O # 117 coordinates: [ 0.970418040000000, 0.193149220000000, 0.090476530000000 ] mass: 15.999400 reduced_to: 117 - symbol: O # 118 coordinates: [ 0.788543620000000, 0.185293170000000, 0.093696150000000 ] mass: 15.999400 reduced_to: 118 - symbol: O # 119 coordinates: [ 0.869641350000000, 0.729089480000000, 0.258230710000000 ] mass: 15.999400 reduced_to: 119 - symbol: O # 120 coordinates: [ 0.779140860000000, 0.828432640000000, 0.402220030000000 ] mass: 15.999400 reduced_to: 120 - symbol: O # 121 coordinates: [ 0.288543620000000, 0.185293170000000, 0.906303850000000 ] mass: 15.999400 reduced_to: 121 - symbol: O # 122 coordinates: [ 0.369641350000000, 0.729089480000000, 0.741769290000000 ] mass: 15.999400 reduced_to: 122 - symbol: O # 123 coordinates: [ 0.875336270000000, 0.113478720000000, 0.506444910000000 ] mass: 15.999400 reduced_to: 123 - symbol: O # 124 coordinates: [ 0.788543620000000, 0.814706830000000, 0.593696150000000 ] mass: 15.999400 reduced_to: 124 - symbol: O # 125 coordinates: [ 0.470418040000000, 0.806850780000000, 0.409523470000000 ] mass: 15.999400 reduced_to: 125 - symbol: O # 126 coordinates: [ 0.779140860000000, 0.171567360000000, 0.902220030000000 ] mass: 15.999400 reduced_to: 126 - symbol: O # 127 coordinates: [ 0.211456380000000, 0.814706830000000, 0.906303850000000 ] mass: 15.999400 reduced_to: 127 - symbol: O # 128 coordinates: [ 0.618669820000000, 0.192763310000000, 0.746127000000000 ] mass: 15.999400 reduced_to: 128 - symbol: O # 129 coordinates: [ 0.881330180000000, 0.192763310000000, 0.246127000000000 ] mass: 15.999400 reduced_to: 129 - symbol: O # 130 coordinates: [ 0.529581960000000, 0.806850780000000, 0.090476530000000 ] mass: 15.999400 reduced_to: 130 - symbol: O # 131 coordinates: [ 0.288543620000000, 0.814706830000000, 0.406303850000000 ] mass: 15.999400 reduced_to: 131 - symbol: O # 132 coordinates: [ 0.220859140000000, 0.171567360000000, 0.597779970000000 ] mass: 15.999400 reduced_to: 132 - symbol: O # 133 coordinates: [ 0.540810640000000, 0.164905850000000, 0.401057360000000 ] mass: 15.999400 reduced_to: 133 - symbol: O # 134 coordinates: [ 0.118669820000000, 0.192763310000000, 0.253873000000000 ] mass: 15.999400 reduced_to: 134 - symbol: O # 135 coordinates: [ 0.370524560000000, 0.516908800000000, 0.592723980000000 ] mass: 15.999400 reduced_to: 135 - symbol: O # 136 coordinates: [ 0.618669820000000, 0.807236690000000, 0.246127000000000 ] mass: 15.999400 reduced_to: 136displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0471606600000000, -0.0000269900000000, 0.0088211800000000 ] - [ 0.0005429000000000, 0.0000825600000000, 0.0000178600000000 ] - [ 0.0000528300000000, 0.0000002600000000, -0.0000578600000000 ] - [ -0.0012202800000000, 0.0004547300000000, 0.0000715800000000 ] - [ 0.0008438600000000, -0.0001326100000000, 0.0000216000000000 ] - [ 0.0039153200000000, -0.0003703200000000, 0.0000749800000000 ] - [ -0.0004213600000000, -0.0001327800000000, 0.0000249100000000 ] - [ -0.0012201600000000, -0.0004543000000000, 0.0000744700000000 ] - [ 0.0003936700000000, 0.0001108200000000, 0.0010407200000000 ] - [ 0.0003946000000000, -0.0001109700000000, 0.0001885400000000 ] - [ 0.0002698700000000, 0.0001120000000000, -0.0009579300000000 ] - [ 0.0000544800000000, -0.0000004300000000, 0.0000684100000000 ] - [ 0.0039629200000000, 0.0003778200000000, -0.0000507500000000 ] - [ 0.0005429900000000, -0.0000829000000000, 0.0000184700000000 ] - [ 0.0003080900000000, 0.0001324900000000, 0.0000156600000000 ] - [ 0.0002686500000000, -0.0001124100000000, -0.0001066300000000 ] - [ -0.0008035000000000, 0.0014614000000000, -0.0024679100000000 ] - [ 0.0002450300000000, -0.0015657500000000, -0.0025665800000000 ] - [ 0.0008239600000000, -0.0000539100000000, 0.0001593500000000 ] - [ 0.0001931600000000, 0.0000876800000000, 0.0001825300000000 ] - [ -0.0008493900000000, 0.0000296400000000, 0.0002871500000000 ] - [ -0.0002167200000000, -0.0000634000000000, 0.0000544100000000 ] - [ 0.0004274100000000, 0.0000698500000000, -0.0002460800000000 ] - [ 0.0014689500000000, 0.0000470200000000, -0.0001422100000000 ] - [ -0.0041681000000000, 0.0022066900000000, -0.0002537300000000 ] - [ 0.0016553700000000, 0.0003784200000000, -0.0000093900000000 ] - [ 0.0010546900000000, -0.0005493100000000, 0.0028199000000000 ] - [ 0.0007558700000000, -0.0006805000000000, -0.0028851000000000 ] - [ 0.0016552400000000, -0.0003780700000000, -0.0000117300000000 ] - [ 0.0007522100000000, 0.0006812000000000, -0.0011799900000000 ] - [ 0.0010570400000000, 0.0005517700000000, 0.0011021600000000 ] - [ -0.0041717900000000, -0.0022082000000000, -0.0002785700000000 ] - [ -0.0007340900000000, -0.0005798200000000, 0.0005982500000000 ] - [ 0.0012928600000000, -0.0000752200000000, 0.0000730600000000 ] - [ 0.0009244800000000, 0.0006813600000000, 0.0002147000000000 ] - [ 0.0023033100000000, 0.0059149300000000, -0.0126337700000000 ] - [ 0.0003310400000000, -0.0052402200000000, 0.0098461200000000 ] - [ -0.0004267000000000, 0.0001051800000000, -0.0007635800000000 ] - [ -0.0004560300000000, 0.0051340800000000, 0.0103544000000000 ] - [ 0.0008503600000000, 0.0005923100000000, 0.0002941000000000 ] - [ 0.0024206400000000, -0.0005712500000000, -0.0005178800000000 ] - [ 0.0021990500000000, -0.0047064100000000, -0.0127777000000000 ] - [ -0.0011965200000000, 0.0000439000000000, -0.0002496000000000 ] - [ 0.0023446400000000, -0.0007007300000000, -0.0004369400000000 ] - [ -0.0008140200000000, -0.0006940600000000, 0.0005170200000000 ] - [ 0.0028935900000000, -0.0000397600000000, 0.0007127100000000 ] - [ 0.0005298800000000, -0.0000742000000000, -0.0004385000000000 ] - [ 0.0021257200000000, 0.0001856400000000, 0.0001993800000000 ] - [ -0.0000392500000000, -0.0025875900000000, 0.0030279800000000 ] - [ 0.0000446800000000, -0.0001851500000000, 0.0000125600000000 ] - [ -0.0001343900000000, -0.0000942800000000, 0.0001725200000000 ] - [ -0.0002207600000000, -0.0002702700000000, 0.0012869300000000 ] - [ 0.0001760700000000, 0.0000803800000000, -0.0003107000000000 ] - [ -0.0003017900000000, 0.0004367000000000, 0.0008028700000000 ] - [ 0.0001962300000000, -0.0000428300000000, 0.0001657200000000 ] - [ 0.0003967600000000, -0.0002291800000000, 0.0000839000000000 ] - [ 0.0003893500000000, -0.0000874800000000, 0.0003193400000000 ] - [ 0.0001555200000000, 0.0001343500000000, -0.0000438500000000 ] - [ -0.0001551500000000, -0.0000864000000000, -0.0000695400000000 ] - [ -0.0000446000000000, 0.0001371900000000, 0.0000379600000000 ] - [ -0.0002194800000000, -0.0000763100000000, -0.0003078800000000 ] - [ -0.0002407900000000, 0.0028445400000000, 0.0029369600000000 ] - [ 0.0000908200000000, 0.0000905000000000, 0.0001691000000000 ] - [ 0.0004745300000000, -0.0000836900000000, -0.0001609600000000 ] - [ -0.0010839400000000, 0.0003389600000000, -0.0001164000000000 ] - [ -0.0006208700000000, -0.0002964400000000, 0.0002921600000000 ] - [ -0.0012431400000000, 0.0008304300000000, 0.0006256800000000 ] - [ 0.0010332000000000, 0.0003925200000000, -0.0011970900000000 ] - [ -0.0013068300000000, -0.0008190000000000, 0.0002051100000000 ] - [ -0.0010972700000000, -0.0000424300000000, 0.0021649600000000 ] - [ 0.0003411700000000, 0.0004728400000000, 0.0003598100000000 ] - [ -0.0014967900000000, 0.0002676100000000, -0.0023943900000000 ] - [ 0.0012411400000000, -0.0003412600000000, 0.0003898400000000 ] - [ -0.0003478900000000, -0.0005092100000000, 0.0002240300000000 ] - [ -0.0009089400000000, -0.0003790200000000, -0.0001884900000000 ] - [ -0.0013201500000000, 0.0006148900000000, 0.0006371200000000 ] - [ 0.0007937200000000, -0.0005367700000000, -0.0032706500000000 ] - [ -0.0007974100000000, 0.0004708800000000, -0.0000559000000000 ] - [ -0.0016230800000000, -0.0002875500000000, -0.0005976600000000 ] - [ 0.0007047800000000, -0.0000578300000000, -0.0006011900000000 ] - [ 0.0004669700000000, -0.0003890500000000, 0.0003858500000000 ] - [ -0.0007405300000000, 0.0001071900000000, 0.0001979400000000 ] - [ 0.0010092700000000, -0.0004605600000000, -0.0007209400000000 ] - [ -0.0001743700000000, -0.0004560900000000, -0.0000666800000000 ] - [ 0.0007820400000000, 0.0007016700000000, 0.0000035600000000 ] - [ -0.0004778600000000, 0.0003562700000000, 0.0002421800000000 ] - [ -0.0012788000000000, -0.0000017800000000, 0.0008055400000000 ] - [ 0.0010331200000000, -0.0021275400000000, 0.0029020600000000 ] - [ -0.0008800300000000, -0.0000212700000000, 0.0005456900000000 ] - [ -0.0012453700000000, -0.0002421300000000, -0.0000052500000000 ] - [ 0.0000793200000000, 0.0006271100000000, 0.0021123900000000 ] - [ -0.0009938500000000, 0.0000091200000000, -0.0005288000000000 ] - [ 0.0002659100000000, -0.0005480700000000, -0.0005624000000000 ] - [ -0.0002270600000000, 0.0001405800000000, -0.0000152500000000 ] - [ 0.0003820500000000, -0.0001395100000000, 0.0004966000000000 ] - [ -0.0004706600000000, 0.0005824800000000, -0.0007051900000000 ] - [ 0.0008743400000000, -0.0003553100000000, 0.0004492000000000 ] - [ -0.0008066900000000, -0.0007170600000000, 0.0002343100000000 ] - [ -0.0004441400000000, 0.0002360800000000, -0.0001012400000000 ] - [ 0.0050077000000000, 0.0017075400000000, 0.0010014500000000 ] - [ -0.0002862800000000, 0.0005008600000000, -0.0004581100000000 ] - [ 0.0035548100000000, 0.0002665500000000, 0.0015030300000000 ] - [ -0.0001766600000000, 0.0007957400000000, -0.0007888300000000 ] - [ -0.0002819600000000, 0.0006652300000000, -0.0001663600000000 ] - [ 0.0050119700000000, -0.0019720100000000, 0.0015456600000000 ] - [ 0.0001697300000000, 0.0004914700000000, 0.0000684000000000 ] - [ 0.0050206800000000, 0.0007856300000000, -0.0031194400000000 ] - [ 0.0001191400000000, -0.0004167700000000, 0.0001568900000000 ] - [ -0.0007605900000000, -0.0005869300000000, 0.0005308500000000 ] - [ 0.0006225300000000, -0.0004175500000000, -0.0035642700000000 ] - [ -0.0009773200000000, 0.0000586300000000, -0.0000535400000000 ] - [ 0.0007001700000000, 0.0003119900000000, -0.0000595700000000 ] - [ -0.0006279300000000, 0.0000423500000000, -0.0002456700000000 ] - [ 0.0000769800000000, -0.0002770000000000, 0.0000314900000000 ] - [ -0.0008972300000000, -0.0000475300000000, 0.0000733300000000 ] - [ -0.0006240700000000, 0.0004952200000000, -0.0003474600000000 ] - [ 0.0041436300000000, -0.0002970200000000, -0.0030203400000000 ] - [ -0.0009431200000000, -0.0003421800000000, -0.0028495200000000 ] - [ 0.0034879200000000, 0.0005127400000000, 0.0008194800000000 ] - [ -0.0011357200000000, 0.0008718500000000, 0.0027602300000000 ] - [ -0.0001766600000000, -0.0001706700000000, 0.0006534000000000 ] - [ -0.0001381000000000, 0.0004633400000000, 0.0002603800000000 ] - [ 0.0008521600000000, 0.0004238700000000, 0.0009234500000000 ] - [ 0.0006066500000000, -0.0000804100000000, 0.0004745100000000 ] - [ -0.0018400100000000, -0.0005740200000000, -0.0005130700000000 ] - [ 0.0001959200000000, -0.0002636600000000, -0.0003319900000000 ] - [ 0.0000472300000000, 0.0001446400000000, 0.0009309200000000 ] - [ -0.0000900900000000, 0.0003097600000000, -0.0001135300000000 ] - [ 0.0082431800000000, -0.0042798800000000, -0.0016394000000000 ] - [ -0.0009811000000000, 0.0000936100000000, -0.0004092300000000 ] - [ -0.0010624600000000, 0.0003521200000000, -0.0001458900000000 ] - [ 0.0002258900000000, -0.0005566500000000, -0.0009364300000000 ] - [ -0.0013264000000000, -0.0003610200000000, 0.0000970200000000 ] - [ 0.0089564000000000, 0.0053145100000000, -0.0012393500000000 ] - [ 0.0001545400000000, -0.0007804000000000, -0.0005593800000000 ] - [ -0.0008560100000000, -0.0004223800000000, -0.0003597800000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, -0.0394836200000000, 0.0000000000000000 ] - [ -0.0000544600000000, 0.0000332500000000, 0.0000078700000000 ] - [ -0.0000001400000000, -0.0000641800000000, 0.0000142500000000 ] - [ -0.0003298400000000, 0.0008682600000000, -0.0001102500000000 ] - [ 0.0000000000000000, -0.0002285300000000, 0.0000000000000000 ] - [ -0.0003165900000000, -0.0014052500000000, 0.0003173800000000 ] - [ 0.0000000000000000, -0.0002789100000000, 0.0000000000000000 ] - [ 0.0003298400000000, 0.0008682600000000, 0.0001102500000000 ] - [ 0.0000808100000000, 0.0002688800000000, 0.0004626100000000 ] - [ -0.0000808100000000, 0.0002688800000000, -0.0004626100000000 ] - [ 0.0001430800000000, 0.0001684700000000, -0.0005952600000000 ] - [ 0.0000001400000000, -0.0000641800000000, -0.0000142500000000 ] - [ 0.0003165900000000, -0.0014052500000000, -0.0003173800000000 ] - [ 0.0000544600000000, 0.0000332500000000, -0.0000078700000000 ] - [ 0.0000000000000000, 0.0001266800000000, 0.0000000000000000 ] - [ -0.0001430800000000, 0.0001684700000000, 0.0005952600000000 ] - [ 0.0016221000000000, 0.0017211600000000, -0.0023857700000000 ] - [ -0.0016221000000000, 0.0017211600000000, 0.0023857700000000 ] - [ 0.0005897900000000, -0.0000416600000000, 0.0001123200000000 ] - [ 0.0006119100000000, 0.0001289200000000, -0.0000544800000000 ] - [ -0.0006119100000000, 0.0001289200000000, 0.0000544800000000 ] - [ -0.0005897900000000, -0.0000416600000000, -0.0001123200000000 ] - [ -0.0001944100000000, 0.0000936200000000, -0.0000567700000000 ] - [ 0.0001944100000000, 0.0000936200000000, 0.0000567700000000 ] - [ 0.0014477300000000, -0.0042295900000000, -0.0004445100000000 ] - [ 0.0002723000000000, -0.0001835800000000, 0.0000077800000000 ] - [ 0.0002318400000000, -0.0011762900000000, 0.0014433700000000 ] - [ 0.0001952900000000, -0.0010196000000000, -0.0013640700000000 ] - [ -0.0002723000000000, -0.0001835800000000, -0.0000077800000000 ] - [ -0.0001952900000000, -0.0010196000000000, 0.0013640700000000 ] - [ -0.0002318400000000, -0.0011762900000000, -0.0014433700000000 ] - [ -0.0014477300000000, -0.0042295900000000, 0.0004445100000000 ] - [ -0.0001836600000000, -0.0003313700000000, -0.0005071700000000 ] - [ 0.0003103400000000, -0.0000187500000000, 0.0003270000000000 ] - [ 0.0001015900000000, 0.0007006400000000, 0.0000475400000000 ] - [ 0.0074284100000000, 0.0044652800000000, -0.0098578600000000 ] - [ -0.0074467100000000, 0.0094167300000000, -0.0083457400000000 ] - [ 0.0005281300000000, 0.0003035100000000, -0.0007176700000000 ] - [ 0.0074467100000000, 0.0094167300000000, 0.0083457400000000 ] - [ -0.0001015900000000, 0.0007006400000000, -0.0000475400000000 ] - [ 0.0002146100000000, -0.0002477600000000, -0.0004256200000000 ] - [ -0.0074284100000000, 0.0044652800000000, 0.0098578600000000 ] - [ -0.0005281300000000, 0.0003035100000000, 0.0007176700000000 ] - [ -0.0002146100000000, -0.0002477600000000, 0.0004256200000000 ] - [ 0.0001836600000000, -0.0003313700000000, 0.0005071700000000 ] - [ 0.0002359700000000, 0.0003143800000000, -0.0000891900000000 ] - [ -0.0003103400000000, -0.0000187500000000, -0.0003270000000000 ] - [ -0.0002359700000000, 0.0003143800000000, 0.0000891900000000 ] - [ -0.0010985900000000, 0.0049023700000000, -0.0035082500000000 ] - [ 0.0000951200000000, 0.0000913300000000, 0.0002483000000000 ] - [ 0.0001550600000000, 0.0000765800000000, 0.0002379000000000 ] - [ -0.0005399600000000, 0.0002214300000000, -0.0003956300000000 ] - [ 0.0000788500000000, 0.0001045300000000, -0.0002711500000000 ] - [ 0.0005399600000000, 0.0002214300000000, 0.0003956300000000 ] - [ -0.0000388900000000, 0.0000226600000000, 0.0000862000000000 ] - [ 0.0000388900000000, 0.0000226600000000, -0.0000862000000000 ] - [ 0.0001400100000000, -0.0000581700000000, 0.0002596400000000 ] - [ 0.0001073000000000, 0.0001203600000000, -0.0000778800000000 ] - [ -0.0000951200000000, 0.0000913300000000, -0.0002483000000000 ] - [ -0.0001073000000000, 0.0001203600000000, 0.0000778800000000 ] - [ -0.0001550600000000, 0.0000765800000000, -0.0002379000000000 ] - [ 0.0010985900000000, 0.0049023700000000, 0.0035082500000000 ] - [ -0.0000788500000000, 0.0001045300000000, 0.0002711500000000 ] - [ -0.0001400100000000, -0.0000581700000000, -0.0002596400000000 ] - [ -0.0003548600000000, 0.0002419900000000, -0.0000398900000000 ] - [ -0.0000681000000000, -0.0001281700000000, 0.0002751600000000 ] - [ -0.0006071400000000, 0.0004666900000000, 0.0003131700000000 ] - [ 0.0004764600000000, 0.0006851800000000, -0.0000844000000000 ] - [ -0.0002558600000000, -0.0002475100000000, 0.0000517300000000 ] - [ 0.0017587900000000, 0.0014036300000000, -0.0017605000000000 ] - [ 0.0001012900000000, 0.0002461300000000, 0.0003622400000000 ] - [ -0.0022416400000000, 0.0000523300000000, -0.0018059800000000 ] - [ 0.0004334000000000, -0.0002617300000000, -0.0007213200000000 ] - [ -0.0001237700000000, -0.0005245900000000, 0.0001897300000000 ] - [ 0.0001449300000000, -0.0006076300000000, -0.0005490700000000 ] - [ -0.0000141100000000, 0.0001302800000000, 0.0003262800000000 ] - [ 0.0002949100000000, -0.0057846500000000, -0.0006991100000000 ] - [ -0.0000405700000000, 0.0002522300000000, 0.0000929600000000 ] - [ -0.0003637300000000, 0.0002318100000000, -0.0004587300000000 ] - [ 0.0000908200000000, 0.0002368100000000, 0.0004631800000000 ] - [ 0.0002470000000000, -0.0003070700000000, -0.0000453000000000 ] - [ -0.0003035600000000, -0.0000075000000000, -0.0002150100000000 ] - [ -0.0004764600000000, 0.0006851800000000, 0.0000844000000000 ] - [ 0.0001237700000000, -0.0005245900000000, -0.0001897300000000 ] - [ 0.0004733100000000, 0.0005364000000000, 0.0005369600000000 ] - [ -0.0002027500000000, 0.0003221600000000, 0.0001267200000000 ] - [ 0.0002558600000000, -0.0002475100000000, -0.0000517300000000 ] - [ 0.0003556600000000, -0.0032062500000000, 0.0017184300000000 ] - [ -0.0002537000000000, 0.0000752300000000, 0.0003398100000000 ] - [ -0.0000064800000000, -0.0002971600000000, 0.0004003300000000 ] - [ -0.0003556600000000, -0.0032062500000000, -0.0017184300000000 ] - [ -0.0003344000000000, 0.0001752200000000, -0.0003459600000000 ] - [ 0.0001166800000000, -0.0006426000000000, -0.0000342700000000 ] - [ 0.0003548600000000, 0.0002419900000000, 0.0000398900000000 ] - [ -0.0004334000000000, -0.0002617300000000, 0.0007213200000000 ] - [ -0.0000181600000000, 0.0004472700000000, -0.0003105300000000 ] - [ -0.0004735500000000, 0.0006532300000000, -0.0001304500000000 ] - [ -0.0004300300000000, -0.0008042400000000, 0.0004329400000000 ] - [ 0.0000181600000000, 0.0004472700000000, 0.0003105300000000 ] - [ 0.0009839200000000, 0.0034802900000000, -0.0005847900000000 ] - [ -0.0000788000000000, 0.0004777300000000, -0.0002868600000000 ] - [ -0.0000916300000000, 0.0016499700000000, 0.0001773500000000 ] - [ -0.0004733100000000, 0.0005364000000000, -0.0005369600000000 ] - [ 0.0006071400000000, 0.0004666900000000, -0.0003131700000000 ] - [ -0.0009839200000000, 0.0034802900000000, 0.0005847900000000 ] - [ -0.0001012900000000, 0.0002461300000000, -0.0003622400000000 ] - [ -0.0004836100000000, -0.0004518300000000, -0.0040491800000000 ] - [ -0.0001166800000000, -0.0006426000000000, 0.0000342700000000 ] - [ -0.0001449300000000, -0.0006076300000000, 0.0005490700000000 ] - [ -0.0002949100000000, -0.0057846500000000, 0.0006991100000000 ] - [ 0.0003344000000000, 0.0001752200000000, 0.0003459600000000 ] - [ -0.0000908200000000, 0.0002368100000000, -0.0004631800000000 ] - [ 0.0000681000000000, -0.0001281700000000, -0.0002751600000000 ] - [ -0.0002470000000000, -0.0003070700000000, 0.0000453000000000 ] - [ 0.0002537000000000, 0.0000752300000000, -0.0003398100000000 ] - [ 0.0000405700000000, 0.0002522300000000, -0.0000929600000000 ] - [ 0.0004836100000000, -0.0004518300000000, 0.0040491800000000 ] - [ 0.0022416400000000, 0.0000523300000000, 0.0018059800000000 ] - [ 0.0000916300000000, 0.0016499700000000, -0.0001773500000000 ] - [ -0.0017587900000000, 0.0014036300000000, 0.0017605000000000 ] - [ 0.0003035600000000, -0.0000075000000000, 0.0002150100000000 ] - [ 0.0000788000000000, 0.0004777300000000, 0.0002868600000000 ] - [ 0.0004735500000000, 0.0006532300000000, 0.0001304500000000 ] - [ 0.0003123400000000, 0.0000673900000000, 0.0000745000000000 ] - [ -0.0004416000000000, -0.0002386400000000, 0.0000208700000000 ] - [ 0.0000094700000000, -0.0003804300000000, 0.0006218300000000 ] - [ -0.0003123400000000, 0.0000673900000000, -0.0000745000000000 ] - [ 0.0002027500000000, 0.0003221600000000, -0.0001267200000000 ] - [ -0.0053653200000000, 0.0067440700000000, 0.0005755000000000 ] - [ 0.0004416000000000, -0.0002386400000000, -0.0000208700000000 ] - [ 0.0003637300000000, 0.0002318100000000, 0.0004587300000000 ] - [ -0.0000094700000000, -0.0003804300000000, -0.0006218300000000 ] - [ 0.0000141100000000, 0.0001302800000000, -0.0003262800000000 ] - [ 0.0053653200000000, 0.0067440700000000, -0.0005755000000000 ] - [ 0.0004300300000000, -0.0008042400000000, -0.0004329400000000 ] - [ 0.0000064800000000, -0.0002971600000000, -0.0004003300000000 ]- atom: 1 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, 0.0394160600000000, 0.0000000000000000 ] - [ 0.0000542400000000, -0.0000334500000000, -0.0000078300000000 ] - [ -0.0000007700000000, 0.0000637100000000, -0.0001416600000000 ] - [ 0.0003285900000000, -0.0008660200000000, 0.0001142100000000 ] - [ 0.0000000000000000, -0.0000380500000000, 0.0000000000000000 ] - [ 0.0003287700000000, 0.0014041700000000, -0.0001892500000000 ] - [ 0.0000000000000000, 0.0000116300000000, 0.0000000000000000 ] - [ -0.0003285900000000, -0.0008660200000000, -0.0001142100000000 ] - [ -0.0000788200000000, -0.0002682400000000, 0.0003924400000000 ] - [ 0.0000788200000000, -0.0002682400000000, -0.0003924400000000 ] - [ -0.0001436200000000, -0.0001682600000000, -0.0002585300000000 ] - [ 0.0000007700000000, 0.0000637100000000, 0.0001416600000000 ] - [ -0.0003287700000000, 0.0014041700000000, 0.0001892500000000 ] - [ -0.0000542400000000, -0.0000334500000000, 0.0000078300000000 ] - [ 0.0000000000000000, 0.0001395000000000, 0.0000000000000000 ] - [ 0.0001436200000000, -0.0001682600000000, 0.0002585300000000 ] - [ -0.0026426900000000, -0.0018416500000000, 0.0024746900000000 ] - [ 0.0026426900000000, -0.0018416500000000, -0.0024746900000000 ] - [ 0.0004510800000000, -0.0000784100000000, -0.0000086800000000 ] - [ 0.0004294900000000, -0.0000080300000000, -0.0000484100000000 ] - [ -0.0004294900000000, -0.0000080300000000, 0.0000484100000000 ] - [ -0.0004510800000000, -0.0000784100000000, 0.0000086800000000 ] - [ -0.0008457300000000, 0.0000267000000000, -0.0000464900000000 ] - [ 0.0008457300000000, 0.0000267000000000, 0.0000464900000000 ] - [ -0.0014437200000000, 0.0042127400000000, 0.0004597400000000 ] - [ -0.0002716200000000, 0.0001831200000000, -0.0000076000000000 ] - [ -0.0002337100000000, 0.0011741400000000, 0.0002704800000000 ] - [ -0.0001934900000000, 0.0010169400000000, -0.0003515200000000 ] - [ 0.0002716200000000, 0.0001831200000000, 0.0000076000000000 ] - [ 0.0001934900000000, 0.0010169400000000, 0.0003515200000000 ] - [ 0.0002337100000000, 0.0011741400000000, -0.0002704800000000 ] - [ 0.0014437200000000, 0.0042127400000000, -0.0004597400000000 ] - [ 0.0002552900000000, -0.0009395000000000, 0.0005870700000000 ] - [ 0.0004566700000000, -0.0001307800000000, 0.0001809600000000 ] - [ -0.0000290600000000, 0.0005707000000000, -0.0001286000000000 ] - [ -0.0073981400000000, -0.0031601200000000, 0.0099908200000000 ] - [ 0.0081237400000000, -0.0095564900000000, 0.0078169700000000 ] - [ 0.0002410600000000, -0.0001528000000000, 0.0002077100000000 ] - [ -0.0081237400000000, -0.0095564900000000, -0.0078169700000000 ] - [ 0.0000290600000000, 0.0005707000000000, 0.0001286000000000 ] - [ -0.0001430000000000, -0.0010234400000000, 0.0003441200000000 ] - [ 0.0073981400000000, -0.0031601200000000, -0.0099908200000000 ] - [ -0.0002410600000000, -0.0001528000000000, -0.0002077100000000 ] - [ 0.0001430000000000, -0.0010234400000000, -0.0003441200000000 ] - [ -0.0002552900000000, -0.0009395000000000, -0.0005870700000000 ] - [ 0.0005316600000000, -0.0001642600000000, 0.0005966500000000 ] - [ -0.0004566700000000, -0.0001307800000000, -0.0001809600000000 ] - [ -0.0005316600000000, -0.0001642600000000, -0.0005966500000000 ] - [ 0.0013260200000000, -0.0046403800000000, 0.0035870500000000 ] - [ 0.0001047100000000, -0.0003628600000000, -0.0001659700000000 ] - [ -0.0000699200000000, -0.0002506000000000, 0.0002453000000000 ] - [ 0.0006237000000000, -0.0000424800000000, 0.0008794700000000 ] - [ 0.0000061600000000, 0.0000688600000000, -0.0002121500000000 ] - [ -0.0006237000000000, -0.0000424800000000, -0.0008794700000000 ] - [ -0.0001610700000000, -0.0002951600000000, -0.0000049600000000 ] - [ 0.0001610700000000, -0.0002951600000000, 0.0000049600000000 ] - [ -0.0002246400000000, -0.0001157400000000, 0.0002237600000000 ] - [ 0.0000926100000000, 0.0001513300000000, -0.0000040300000000 ] - [ -0.0001047100000000, -0.0003628600000000, 0.0001659700000000 ] - [ -0.0000926100000000, 0.0001513300000000, 0.0000040300000000 ] - [ 0.0000699200000000, -0.0002506000000000, -0.0002453000000000 ] - [ -0.0013260200000000, -0.0046403800000000, -0.0035870500000000 ] - [ -0.0000061600000000, 0.0000688600000000, 0.0002121500000000 ] - [ 0.0002246400000000, -0.0001157400000000, -0.0002237600000000 ] - [ -0.0005057000000000, 0.0002405200000000, -0.0000646800000000 ] - [ 0.0000695400000000, -0.0001308700000000, 0.0002684500000000 ] - [ -0.0003545900000000, 0.0010155200000000, 0.0004750200000000 ] - [ -0.0004575100000000, -0.0007577300000000, -0.0003910400000000 ] - [ 0.0002352100000000, -0.0005664600000000, -0.0006512300000000 ] - [ -0.0017320000000000, -0.0005915400000000, 0.0011620400000000 ] - [ 0.0000713500000000, 0.0007267800000000, -0.0000755400000000 ] - [ 0.0016682900000000, -0.0001087000000000, 0.0022553000000000 ] - [ 0.0004285100000000, -0.0002214600000000, 0.0006128600000000 ] - [ -0.0000494300000000, -0.0004504300000000, 0.0000970700000000 ] - [ -0.0002937800000000, -0.0003604000000000, -0.0001591400000000 ] - [ 0.0000159700000000, 0.0001283100000000, 0.0002178500000000 ] - [ -0.0001085300000000, 0.0048215200000000, 0.0009828100000000 ] - [ -0.0001322800000000, 0.0007213400000000, 0.0001935600000000 ] - [ -0.0002028800000000, -0.0001731700000000, 0.0000081200000000 ] - [ -0.0000888200000000, 0.0000224000000000, -0.0010041100000000 ] - [ 0.0001434500000000, -0.0003606100000000, 0.0004123200000000 ] - [ -0.0002622600000000, -0.0000522000000000, -0.0002356200000000 ] - [ 0.0004575100000000, -0.0007577300000000, 0.0003910400000000 ] - [ 0.0000494300000000, -0.0004504300000000, -0.0000970700000000 ] - [ 0.0004881100000000, 0.0009455800000000, 0.0002522700000000 ] - [ -0.0001867200000000, 0.0003450700000000, 0.0002426200000000 ] - [ -0.0002352100000000, -0.0005664600000000, 0.0006512300000000 ] - [ 0.0006093700000000, 0.0017098500000000, -0.0009332800000000 ] - [ 0.0002695200000000, -0.0001483300000000, 0.0001376200000000 ] - [ -0.0003826400000000, -0.0003710400000000, -0.0000308200000000 ] - [ -0.0006093700000000, 0.0017098500000000, 0.0009332800000000 ] - [ 0.0003175000000000, -0.0001020700000000, -0.0001320400000000 ] - [ 0.0000317200000000, -0.0003258500000000, -0.0006731100000000 ] - [ 0.0005057000000000, 0.0002405200000000, 0.0000646800000000 ] - [ -0.0004285100000000, -0.0002214600000000, -0.0006128600000000 ] - [ -0.0000023500000000, 0.0003672300000000, -0.0002894500000000 ] - [ 0.0004891100000000, -0.0005778200000000, -0.0003466400000000 ] - [ -0.0005313300000000, -0.0006794900000000, 0.0003558000000000 ] - [ 0.0000023500000000, 0.0003672300000000, 0.0002894500000000 ] - [ -0.0010146700000000, -0.0037625900000000, 0.0000925000000000 ] - [ -0.0000694500000000, 0.0004897000000000, -0.0004209100000000 ] - [ 0.0001027800000000, -0.0008282100000000, 0.0005073200000000 ] - [ -0.0004881100000000, 0.0009455800000000, -0.0002522700000000 ] - [ 0.0003545900000000, 0.0010155200000000, -0.0004750200000000 ] - [ 0.0010146700000000, -0.0037625900000000, -0.0000925000000000 ] - [ -0.0000713500000000, 0.0007267800000000, 0.0000755400000000 ] - [ 0.0013474500000000, 0.0009660800000000, 0.0039333500000000 ] - [ -0.0000317200000000, -0.0003258500000000, 0.0006731100000000 ] - [ 0.0002937800000000, -0.0003604000000000, 0.0001591400000000 ] - [ 0.0001085300000000, 0.0048215200000000, -0.0009828100000000 ] - [ -0.0003175000000000, -0.0001020700000000, 0.0001320400000000 ] - [ 0.0000888200000000, 0.0000224000000000, 0.0010041100000000 ] - [ -0.0000695400000000, -0.0001308700000000, -0.0002684500000000 ] - [ -0.0001434500000000, -0.0003606100000000, -0.0004123200000000 ] - [ -0.0002695200000000, -0.0001483300000000, -0.0001376200000000 ] - [ 0.0001322800000000, 0.0007213400000000, -0.0001935600000000 ] - [ -0.0013474500000000, 0.0009660800000000, -0.0039333500000000 ] - [ -0.0016682900000000, -0.0001087000000000, -0.0022553000000000 ] - [ -0.0001027800000000, -0.0008282100000000, -0.0005073200000000 ] - [ 0.0017320000000000, -0.0005915400000000, -0.0011620400000000 ] - [ 0.0002622600000000, -0.0000522000000000, 0.0002356200000000 ] - [ 0.0000694500000000, 0.0004897000000000, 0.0004209100000000 ] - [ -0.0004891100000000, -0.0005778200000000, 0.0003466400000000 ] - [ 0.0002525100000000, -0.0000076800000000, -0.0005244300000000 ] - [ -0.0004195400000000, -0.0002441400000000, -0.0001260800000000 ] - [ -0.0000307500000000, -0.0004346400000000, -0.0000210700000000 ] - [ -0.0002525100000000, -0.0000076800000000, 0.0005244300000000 ] - [ 0.0001867200000000, 0.0003450700000000, -0.0002426200000000 ] - [ 0.0046356800000000, -0.0057828000000000, -0.0009932600000000 ] - [ 0.0004195400000000, -0.0002441400000000, 0.0001260800000000 ] - [ 0.0002028800000000, -0.0001731700000000, -0.0000081200000000 ] - [ 0.0000307500000000, -0.0004346400000000, 0.0000210700000000 ] - [ -0.0000159700000000, 0.0001283100000000, -0.0002178500000000 ] - [ -0.0046356800000000, -0.0057828000000000, 0.0009932600000000 ] - [ 0.0005313300000000, -0.0006794900000000, -0.0003558000000000 ] - [ 0.0003826400000000, -0.0003710400000000, 0.0000308200000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0088242400000000, 0.0004223400000000, -0.0353988700000000 ] - [ -0.0000274900000000, 0.0000004900000000, 0.0000329600000000 ] - [ -0.0000265100000000, -0.0000775900000000, 0.0004814000000000 ] - [ 0.0000976500000000, -0.0001726900000000, 0.0009760600000000 ] - [ -0.0000214800000000, -0.0001327000000000, -0.0003222300000000 ] - [ 0.0001275700000000, 0.0002519600000000, -0.0012996200000000 ] - [ 0.0000248200000000, -0.0001330400000000, 0.0009063400000000 ] - [ 0.0000994600000000, 0.0001741800000000, 0.0009761000000000 ] - [ 0.0004573900000000, 0.0000535000000000, 0.0005324300000000 ] - [ 0.0004563600000000, -0.0000541800000000, -0.0003169800000000 ] - [ -0.0004474300000000, -0.0000943300000000, -0.0000778300000000 ] - [ -0.0000263200000000, 0.0000772400000000, 0.0006074800000000 ] - [ 0.0001139400000000, -0.0002526000000000, -0.0014269300000000 ] - [ -0.0000272700000000, -0.0000007200000000, 0.0000319600000000 ] - [ -0.0000156700000000, 0.0001325300000000, 0.0002812400000000 ] - [ -0.0004469000000000, 0.0000945500000000, 0.0007753800000000 ] - [ -0.0027069600000000, -0.0017918100000000, -0.0004456300000000 ] - [ -0.0016778200000000, 0.0016889200000000, -0.0005609200000000 ] - [ 0.0006623500000000, -0.0000430000000000, 0.0003517500000000 ] - [ 0.0007511000000000, 0.0001622600000000, 0.0009160200000000 ] - [ -0.0002904000000000, -0.0000454100000000, 0.0010227500000000 ] - [ -0.0003794000000000, -0.0000745400000000, 0.0002474200000000 ] - [ -0.0009901800000000, 0.0000041300000000, -0.0003921000000000 ] - [ 0.0000505400000000, 0.0001132500000000, -0.0002862900000000 ] - [ 0.0001722600000000, -0.0009374700000000, 0.0086142400000000 ] - [ -0.0000692900000000, 0.0000002200000000, 0.0000643500000000 ] - [ 0.0021607800000000, -0.0000530800000000, 0.0016267600000000 ] - [ -0.0018936500000000, 0.0005319600000000, 0.0001675300000000 ] - [ -0.0000699100000000, -0.0000003400000000, 0.0000666800000000 ] - [ -0.0018886200000000, -0.0005345100000000, 0.0018830700000000 ] - [ 0.0021504400000000, 0.0000571000000000, -0.0000814700000000 ] - [ 0.0001591000000000, 0.0009321400000000, 0.0086871500000000 ] - [ 0.0010662300000000, -0.0009573200000000, 0.0025105900000000 ] - [ -0.0000853500000000, -0.0002191900000000, 0.0012454900000000 ] - [ 0.0004889800000000, 0.0004569900000000, 0.0009935600000000 ] - [ -0.0122164800000000, -0.0082137700000000, -0.0036787200000000 ] - [ 0.0093848800000000, -0.0064799100000000, -0.0047248000000000 ] - [ -0.0006193100000000, -0.0003847300000000, 0.0022362800000000 ] - [ 0.0086641700000000, 0.0063608200000000, -0.0043051500000000 ] - [ 0.0004113800000000, 0.0008158000000000, 0.0010744100000000 ] - [ -0.0007692900000000, -0.0007549900000000, -0.0013853800000000 ] - [ -0.0122607100000000, 0.0094449600000000, -0.0037310300000000 ] - [ -0.0013834500000000, 0.0005342900000000, 0.0027506300000000 ] - [ -0.0008418900000000, -0.0005186100000000, -0.0013075500000000 ] - [ 0.0009949700000000, -0.0003150200000000, 0.0024317700000000 ] - [ 0.0010458900000000, -0.0000829500000000, -0.0010841000000000 ] - [ -0.0008512600000000, 0.0000697000000000, 0.0007325300000000 ] - [ 0.0002808400000000, 0.0002315800000000, -0.0015919800000000 ] - [ 0.0010773400000000, 0.0020814700000000, -0.0033327400000000 ] - [ 0.0000088200000000, 0.0007613700000000, 0.0011670900000000 ] - [ 0.0000486600000000, -0.0001422700000000, 0.0005156700000000 ] - [ 0.0012854900000000, -0.0007635100000000, 0.0008316200000000 ] - [ -0.0000390500000000, 0.0000518100000000, -0.0001517500000000 ] - [ 0.0011915400000000, 0.0009242300000000, 0.0003480500000000 ] - [ -0.0000711500000000, -0.0005433800000000, -0.0005477800000000 ] - [ 0.0001294100000000, 0.0002707100000000, -0.0006286100000000 ] - [ 0.0001379700000000, -0.0000448300000000, 0.0002017200000000 ] - [ 0.0000918400000000, 0.0005038600000000, 0.0004468100000000 ] - [ -0.0001911500000000, -0.0010323300000000, 0.0010844700000000 ] - [ -0.0001080500000000, -0.0002326200000000, 0.0005291900000000 ] - [ -0.0000359700000000, -0.0000274300000000, 0.0000357800000000 ] - [ 0.0008827800000000, -0.0018007900000000, -0.0033972200000000 ] - [ -0.0001239400000000, 0.0001188100000000, 0.0003283100000000 ] - [ 0.0002228700000000, -0.0001261700000000, -0.0002777000000000 ] - [ -0.0003824100000000, 0.0003379600000000, -0.0003276300000000 ] - [ -0.0000410900000000, -0.0000503100000000, 0.0000078200000000 ] - [ -0.0001312100000000, 0.0008574400000000, 0.0006886200000000 ] - [ -0.0018389100000000, 0.0002539300000000, -0.0017627000000000 ] - [ 0.0008416700000000, 0.0000351900000000, 0.0002596200000000 ] - [ 0.0029180500000000, 0.0002804000000000, 0.0001325500000000 ] - [ 0.0003315900000000, 0.0009738500000000, -0.0009467100000000 ] - [ -0.0019850800000000, -0.0002346100000000, 0.0008646200000000 ] - [ 0.0011582100000000, -0.0007940400000000, -0.0021253500000000 ] - [ 0.0000349700000000, -0.0006688200000000, -0.0003013300000000 ] - [ -0.0000397400000000, -0.0006848900000000, 0.0006873400000000 ] - [ 0.0001937000000000, 0.0001432800000000, 0.0005213500000000 ] - [ -0.0012676500000000, 0.0013296700000000, 0.0027267800000000 ] - [ -0.0002689000000000, 0.0002868500000000, 0.0006713700000000 ] - [ -0.0012344000000000, -0.0003789600000000, 0.0003828900000000 ] - [ -0.0007118200000000, 0.0006416800000000, -0.0019470900000000 ] - [ 0.0003053400000000, -0.0001539700000000, -0.0014128900000000 ] - [ 0.0003787800000000, -0.0003025200000000, -0.0008160300000000 ] - [ -0.0018460500000000, -0.0003186600000000, -0.0012789400000000 ] - [ 0.0002079900000000, -0.0002974100000000, -0.0005931000000000 ] - [ 0.0001403400000000, 0.0006398300000000, -0.0004139500000000 ] - [ -0.0001469300000000, 0.0002633200000000, -0.0005081500000000 ] - [ 0.0008692200000000, -0.0008546200000000, 0.0008652600000000 ] - [ 0.0022422300000000, 0.0009426700000000, 0.0013581200000000 ] - [ 0.0004878300000000, -0.0001221200000000, 0.0000666800000000 ] - [ -0.0001707200000000, -0.0004153300000000, 0.0011170500000000 ] - [ 0.0012779700000000, -0.0024433200000000, 0.0005571100000000 ] - [ -0.0004143200000000, 0.0000871600000000, -0.0003545900000000 ] - [ -0.0000030800000000, -0.0000480300000000, -0.0021749600000000 ] - [ 0.0004750500000000, 0.0001422400000000, -0.0002250100000000 ] - [ 0.0003036800000000, 0.0003153500000000, -0.0020193600000000 ] - [ -0.0006651800000000, 0.0006943500000000, -0.0009172000000000 ] - [ 0.0011264200000000, 0.0004829300000000, -0.0014182500000000 ] - [ -0.0006443600000000, -0.0007209500000000, 0.0001236800000000 ] - [ -0.0006339300000000, 0.0001252100000000, -0.0003135300000000 ] - [ 0.0005491200000000, -0.0010454200000000, 0.0080761300000000 ] - [ -0.0001098100000000, 0.0002851300000000, -0.0011995900000000 ] - [ 0.0006786300000000, -0.0014611200000000, 0.0073539400000000 ] - [ -0.0008206500000000, 0.0008573000000000, -0.0012064100000000 ] - [ 0.0008301100000000, 0.0006389100000000, -0.0001046400000000 ] - [ 0.0007266700000000, 0.0005481800000000, 0.0080719600000000 ] - [ 0.0001582400000000, -0.0000093900000000, -0.0012388400000000 ] - [ -0.0029789500000000, -0.0038151300000000, -0.0008995400000000 ] - [ -0.0001514300000000, -0.0009174800000000, -0.0014574800000000 ] - [ 0.0001097800000000, -0.0002798400000000, 0.0014048600000000 ] - [ -0.0014457700000000, -0.0022989900000000, 0.0024589900000000 ] - [ -0.0003970600000000, -0.0000195600000000, 0.0001185900000000 ] - [ -0.0007197400000000, -0.0003894300000000, -0.0014111400000000 ] - [ -0.0000464700000000, -0.0002046600000000, -0.0005319000000000 ] - [ -0.0000831200000000, -0.0005118900000000, -0.0017661800000000 ] - [ 0.0004712100000000, 0.0000541000000000, -0.0004081500000000 ] - [ -0.0000955000000000, 0.0006792400000000, 0.0003815100000000 ] - [ -0.0038202600000000, 0.0042794500000000, -0.0008427600000000 ] - [ -0.0014208400000000, 0.0001652500000000, 0.0003930900000000 ] - [ 0.0008458700000000, 0.0024428200000000, 0.0066531800000000 ] - [ 0.0028932100000000, 0.0005461500000000, 0.0007433100000000 ] - [ 0.0009396800000000, 0.0002385000000000, -0.0003613700000000 ] - [ 0.0000373200000000, 0.0006795200000000, -0.0004813800000000 ] - [ 0.0011145400000000, -0.0004170900000000, -0.0009484900000000 ] - [ 0.0005202500000000, 0.0002672500000000, -0.0010877800000000 ] - [ -0.0004804400000000, -0.0001603900000000, 0.0002458900000000 ] - [ -0.0003864700000000, -0.0002220000000000, -0.0004047700000000 ] - [ -0.0000435500000000, -0.0002031300000000, -0.0006342100000000 ] - [ 0.0002417700000000, 0.0004023400000000, -0.0008629100000000 ] - [ -0.0007541600000000, 0.0001325700000000, 0.0050906400000000 ] - [ 0.0003765800000000, -0.0003196700000000, 0.0003473600000000 ] - [ -0.0006734900000000, 0.0004432900000000, 0.0008418400000000 ] - [ -0.0003608800000000, -0.0005981000000000, -0.0010075400000000 ] - [ 0.0001861000000000, 0.0001103200000000, -0.0000170800000000 ] - [ -0.0004089200000000, 0.0004999800000000, 0.0054653700000000 ] - [ 0.0003155500000000, -0.0007760500000000, -0.0006685000000000 ] - [ 0.0002158800000000, -0.0002510700000000, 0.0007602600000000 ]- atom: 2 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0005430400000000, 0.0000781800000000, -0.0000270600000000 ] - [ -0.0566330200000000, -0.0086006800000000, 0.0262190600000000 ] - [ 0.0003377100000000, 0.0000827700000000, 0.0003861500000000 ] - [ 0.0003456700000000, -0.0000659900000000, -0.0000234900000000 ] - [ -0.0012208600000000, 0.0001967800000000, -0.0000999300000000 ] - [ 0.0003374800000000, 0.0000829400000000, 0.0005140400000000 ] - [ 0.0005426000000000, -0.0001869900000000, -0.0000278000000000 ] - [ 0.0008336800000000, 0.0001056200000000, 0.0000180800000000 ] - [ 0.0000940800000000, 0.0000149200000000, 0.0003899700000000 ] - [ 0.0038178700000000, -0.0000324100000000, -0.0000084300000000 ] - [ 0.0000928600000000, 0.0000147300000000, -0.0004614200000000 ] - [ 0.0002820300000000, 0.0001687200000000, -0.0004226000000000 ] - [ 0.0002829000000000, 0.0001691400000000, -0.0005481100000000 ] - [ -0.0005294800000000, 0.0001028400000000, -0.0000280200000000 ] - [ -0.0012197900000000, 0.0004616500000000, -0.0000971900000000 ] - [ 0.0037701000000000, -0.0000343900000000, 0.0008416000000000 ] - [ 0.0004276400000000, 0.0000080700000000, -0.0001161800000000 ] - [ 0.0008243600000000, -0.0000702100000000, 0.0001064300000000 ] - [ 0.0002372600000000, -0.0000359900000000, 0.0005861200000000 ] - [ 0.0014680600000000, 0.0001261500000000, -0.0002223500000000 ] - [ -0.0002168400000000, 0.0000489500000000, 0.0002102900000000 ] - [ -0.0001946900000000, -0.0030567500000000, -0.0031155200000000 ] - [ -0.0008047900000000, 0.0000819200000000, 0.0004807200000000 ] - [ 0.0008525200000000, -0.0029253800000000, -0.0029873500000000 ] - [ 0.0024293100000000, -0.0004523300000000, 0.0000720000000000 ] - [ -0.0012243100000000, -0.0005494600000000, 0.0001265900000000 ] - [ 0.0001459700000000, -0.0001102100000000, 0.0009166100000000 ] - [ 0.0001446000000000, -0.0001099200000000, -0.0007936600000000 ] - [ -0.0088042100000000, 0.0021035700000000, 0.0004432800000000 ] - [ 0.0026126000000000, 0.0005454900000000, 0.0010126700000000 ] - [ 0.0026154000000000, 0.0005427100000000, -0.0007046800000000 ] - [ 0.0009235100000000, 0.0003268100000000, 0.0000123000000000 ] - [ 0.0026253200000000, -0.0009141000000000, -0.0007809200000000 ] - [ -0.0002510600000000, 0.0088936000000000, 0.0055524400000000 ] - [ -0.0007860300000000, 0.0004617800000000, 0.0019880700000000 ] - [ 0.0008977700000000, 0.0007196900000000, 0.0006331300000000 ] - [ 0.0028944200000000, -0.0001592500000000, 0.0003999000000000 ] - [ 0.0012832700000000, 0.0001483000000000, -0.0007896800000000 ] - [ 0.0005194200000000, -0.0000013200000000, -0.0002772100000000 ] - [ 0.0020105700000000, 0.0113538900000000, -0.0085359700000000 ] - [ 0.0020767700000000, 0.0100874800000000, -0.0085553000000000 ] - [ 0.0025488900000000, 0.0003591200000000, -0.0008567000000000 ] - [ 0.0021240700000000, -0.0000100600000000, 0.0009075600000000 ] - [ -0.0008636900000000, -0.0008121800000000, 0.0020712100000000 ] - [ 0.0008240600000000, -0.0005546800000000, 0.0005509200000000 ] - [ -0.0005415800000000, -0.0003536500000000, -0.0009537900000000 ] - [ -0.0013076900000000, -0.0005013600000000, -0.0014631200000000 ] - [ -0.0010588700000000, 0.0090827300000000, 0.0050790600000000 ] - [ 0.0002183900000000, 0.0003866300000000, -0.0003024800000000 ] - [ 0.0003152400000000, 0.0001038800000000, 0.0003463100000000 ] - [ 0.0004809600000000, -0.0000590400000000, 0.0002918800000000 ] - [ 0.0001670400000000, 0.0000657600000000, 0.0002063400000000 ] - [ -0.0000929500000000, 0.0001307300000000, -0.0003685500000000 ] - [ 0.0003965800000000, 0.0001115300000000, -0.0001870900000000 ] - [ -0.0002814300000000, -0.0011142500000000, -0.0013760400000000 ] - [ 0.0001075700000000, -0.0032484100000000, 0.0029098700000000 ] - [ -0.0001777800000000, -0.0000396000000000, 0.0001102600000000 ] - [ -0.0000807800000000, -0.0008396200000000, -0.0014541700000000 ] - [ 0.0000181100000000, 0.0001156000000000, -0.0003852300000000 ] - [ -0.0000937400000000, -0.0029703300000000, 0.0029844000000000 ] - [ 0.0000818400000000, -0.0001047700000000, -0.0002729800000000 ] - [ 0.0001152400000000, 0.0003776600000000, 0.0002666900000000 ] - [ 0.0006344500000000, -0.0023143000000000, 0.0019463900000000 ] - [ 0.0007158500000000, -0.0025060700000000, 0.0014811200000000 ] - [ 0.0045501000000000, -0.0015803500000000, 0.0003323000000000 ] - [ 0.0009838800000000, 0.0002727200000000, -0.0002606600000000 ] - [ -0.0002201200000000, 0.0006852300000000, -0.0000648300000000 ] - [ -0.0004270700000000, -0.0000667400000000, -0.0002436600000000 ] - [ -0.0011193000000000, -0.0023457800000000, 0.0001633100000000 ] - [ -0.0016121100000000, 0.0001391300000000, 0.0002666300000000 ] - [ -0.0001846300000000, 0.0003531600000000, 0.0004151300000000 ] - [ -0.0005848300000000, -0.0000267800000000, 0.0003544000000000 ] - [ -0.0009859400000000, 0.0000317400000000, 0.0001942100000000 ] - [ 0.0002197600000000, 0.0001145800000000, 0.0009652600000000 ] - [ 0.0002282800000000, 0.0011927000000000, -0.0028156200000000 ] - [ 0.0040692300000000, -0.0035449700000000, 0.0007122000000000 ] - [ -0.0007572100000000, -0.0005161600000000, -0.0001670100000000 ] - [ 0.0013262400000000, -0.0004404200000000, -0.0027462500000000 ] - [ -0.0006980400000000, -0.0012444400000000, -0.0008000600000000 ] - [ -0.0014051000000000, 0.0006068100000000, -0.0004519700000000 ] - [ -0.0004064100000000, -0.0002502600000000, -0.0002563600000000 ] - [ -0.0002710800000000, 0.0000785000000000, 0.0000189900000000 ] - [ -0.0014052900000000, -0.0000415400000000, 0.0001996000000000 ] - [ 0.0014061800000000, -0.0014177400000000, -0.0031083100000000 ] - [ -0.0006225200000000, 0.0008814400000000, 0.0006571700000000 ] - [ 0.0004205800000000, -0.0013180200000000, -0.0015459400000000 ] - [ -0.0000829100000000, -0.0002756700000000, -0.0001947100000000 ] - [ 0.0002031300000000, -0.0007132200000000, 0.0002528000000000 ] - [ 0.0004450500000000, 0.0000145900000000, 0.0002320300000000 ] - [ 0.0003655900000000, -0.0001400900000000, 0.0011592200000000 ] - [ -0.0015826800000000, -0.0006175800000000, -0.0001386400000000 ] - [ 0.0004277800000000, 0.0000821700000000, -0.0002415800000000 ] - [ -0.0004231300000000, -0.0005478500000000, 0.0002361700000000 ] - [ 0.0014028000000000, 0.0005454300000000, 0.0004067400000000 ] - [ -0.0010888400000000, -0.0004141200000000, 0.0002911400000000 ] - [ -0.0001124500000000, 0.0005437300000000, -0.0007962400000000 ] - [ -0.0013877300000000, 0.0000256800000000, -0.0002751000000000 ] - [ 0.0156596200000000, -0.0010996700000000, -0.0089571400000000 ] - [ -0.0010828700000000, -0.0015195600000000, 0.0007781000000000 ] - [ -0.0006073400000000, -0.0003672300000000, -0.0004724200000000 ] - [ 0.0002523700000000, -0.0007434800000000, 0.0027460400000000 ] - [ -0.0005712500000000, 0.0004159900000000, 0.0009515100000000 ] - [ -0.0007577100000000, 0.0007858200000000, -0.0005399700000000 ] - [ 0.0159328100000000, 0.0002876800000000, -0.0091432000000000 ] - [ -0.0014122400000000, 0.0003537700000000, 0.0000853500000000 ] - [ -0.0009282600000000, 0.0004509600000000, -0.0004573000000000 ] - [ -0.0002315800000000, 0.0000662000000000, 0.0001890800000000 ] - [ -0.0004804600000000, -0.0006118300000000, -0.0001193700000000 ] - [ 0.0004046000000000, -0.0017086000000000, 0.0034693900000000 ] - [ -0.0003580000000000, -0.0006125100000000, 0.0001224700000000 ] - [ 0.0006541900000000, 0.0023197500000000, -0.0002816400000000 ] - [ -0.0006142600000000, -0.0001135900000000, 0.0000664600000000 ] - [ 0.0040836800000000, -0.0037996500000000, 0.0001719900000000 ] - [ -0.0007155700000000, -0.0003154300000000, 0.0002107500000000 ] - [ 0.0006230300000000, 0.0022327400000000, -0.0007530100000000 ] - [ 0.0003928400000000, 0.0010830200000000, 0.0006749600000000 ] - [ -0.0018455000000000, 0.0005120500000000, 0.0002956800000000 ] - [ -0.0013731800000000, -0.0002425100000000, -0.0009300800000000 ] - [ -0.0003328700000000, 0.0003507100000000, -0.0008402200000000 ] - [ -0.0003230800000000, 0.0004546300000000, 0.0001237900000000 ] - [ -0.0001418800000000, -0.0013033500000000, -0.0003358300000000 ] - [ 0.0003752400000000, 0.0021521800000000, -0.0020928000000000 ] - [ -0.0004436200000000, 0.0000008000000000, 0.0002299500000000 ] - [ -0.0000207100000000, 0.0000373400000000, -0.0001013300000000 ] - [ 0.0005461500000000, 0.0000657300000000, 0.0003051700000000 ] - [ -0.0016431300000000, -0.0006797700000000, 0.0008729900000000 ] - [ -0.0019311900000000, -0.0001792200000000, -0.0004719700000000 ] - [ 0.0007547900000000, 0.0005265000000000, 0.0008018000000000 ] - [ -0.0007957200000000, 0.0004164200000000, -0.0006155800000000 ] - [ 0.0054265200000000, -0.0020626700000000, 0.0004409500000000 ] - [ 0.0002908300000000, 0.0001431900000000, 0.0004761100000000 ] - [ -0.0002952600000000, -0.0003651600000000, -0.0004787000000000 ] - [ 0.0009780700000000, 0.0005267700000000, -0.0007994800000000 ] - [ -0.0003280300000000, 0.0003506300000000, 0.0005661900000000 ] - [ 0.0007400200000000, -0.0008126400000000, -0.0008572700000000 ] - [ 0.0008142000000000, -0.0019885200000000, -0.0019002300000000 ]- atom: 2 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000827000000000, 0.0001654600000000, 0.0000008400000000 ] - [ -0.0086008300000000, -0.0201371600000000, -0.0031640100000000 ] - [ 0.0001457700000000, 0.0002314300000000, 0.0000069800000000 ] - [ 0.0000659300000000, -0.0000208400000000, 0.0000036600000000 ] - [ -0.0004538800000000, 0.0007337900000000, -0.0001709600000000 ] - [ 0.0001463900000000, 0.0002318800000000, 0.0001346600000000 ] - [ 0.0000826700000000, -0.0000997500000000, 0.0000004400000000 ] - [ 0.0001054800000000, -0.0000328000000000, -0.0000030900000000 ] - [ 0.0000195400000000, -0.0000223000000000, 0.0004255800000000 ] - [ 0.0000347600000000, -0.0007576600000000, -0.0004206300000000 ] - [ 0.0000188900000000, -0.0000224200000000, -0.0004265700000000 ] - [ 0.0000992900000000, 0.0002145400000000, -0.0000415500000000 ] - [ 0.0000981200000000, 0.0002143400000000, -0.0001665700000000 ] - [ -0.0001028100000000, -0.0000209700000000, 0.0000061000000000 ] - [ -0.0004551200000000, 0.0009996400000000, -0.0001758600000000 ] - [ 0.0000476300000000, -0.0007588600000000, 0.0004317900000000 ] - [ -0.0002698400000000, -0.0000952600000000, 0.0000051700000000 ] - [ 0.0005746000000000, -0.0000694100000000, -0.0000462300000000 ] - [ 0.0004750800000000, -0.0001057900000000, 0.0003674200000000 ] - [ 0.0007719400000000, 0.0000218800000000, -0.0001001900000000 ] - [ -0.0004665200000000, 0.0000495000000000, 0.0000582000000000 ] - [ -0.0035247000000000, 0.0007607000000000, 0.0026791600000000 ] - [ -0.0005661600000000, 0.0000114300000000, 0.0002617600000000 ] - [ -0.0025006700000000, 0.0008661400000000, 0.0028057500000000 ] - [ 0.0004102700000000, 0.0001698900000000, -0.0000191800000000 ] - [ -0.0002079400000000, 0.0000867800000000, 0.0000939000000000 ] - [ 0.0000124200000000, 0.0001025300000000, 0.0009241000000000 ] - [ 0.0000121000000000, 0.0001026500000000, -0.0007880200000000 ] - [ -0.0004158600000000, 0.0182038600000000, -0.0000251400000000 ] - [ -0.0011872200000000, 0.0021783100000000, 0.0008407100000000 ] - [ -0.0011634600000000, 0.0021711500000000, -0.0008723000000000 ] - [ 0.0001745200000000, 0.0001076600000000, 0.0000217200000000 ] - [ 0.0000274200000000, -0.0009783500000000, 0.0000619800000000 ] - [ 0.0090010600000000, -0.0015864300000000, 0.0075520700000000 ] - [ -0.0001391700000000, 0.0005985100000000, -0.0000096400000000 ] - [ 0.0002762900000000, 0.0006061400000000, 0.0001879100000000 ] - [ 0.0003930800000000, -0.0003335200000000, -0.0003956100000000 ] - [ 0.0005842500000000, 0.0000205900000000, -0.0003859600000000 ] - [ -0.0001816600000000, -0.0001295100000000, 0.0001258300000000 ] - [ 0.0092103100000000, -0.0008181400000000, -0.0063154400000000 ] - [ 0.0092249500000000, -0.0020029500000000, -0.0063587700000000 ] - [ -0.0000493300000000, 0.0002910600000000, -0.0000182900000000 ] - [ -0.0003748000000000, -0.0001866400000000, 0.0001136400000000 ] - [ -0.0002140700000000, -0.0006753100000000, 0.0000687900000000 ] - [ 0.0002030200000000, -0.0006677500000000, 0.0001069700000000 ] - [ 0.0001311200000000, -0.0004215500000000, 0.0006199600000000 ] - [ -0.0006352200000000, -0.0005702200000000, 0.0001073800000000 ] - [ 0.0082608300000000, -0.0014911900000000, 0.0070832900000000 ] - [ 0.0001243100000000, 0.0000920400000000, 0.0000558700000000 ] - [ 0.0001647800000000, -0.0001980600000000, 0.0000206900000000 ] - [ 0.0002074700000000, -0.0001076500000000, 0.0002330500000000 ] - [ 0.0000578900000000, 0.0000790800000000, 0.0002412300000000 ] - [ 0.0000197700000000, 0.0000887500000000, -0.0002831800000000 ] - [ 0.0001227800000000, 0.0000630200000000, -0.0002468500000000 ] - [ -0.0002438800000000, -0.0008208100000000, -0.0006340500000000 ] - [ -0.0003061600000000, -0.0013272700000000, 0.0005251300000000 ] - [ -0.0000651000000000, -0.0000821900000000, 0.0001966700000000 ] - [ -0.0000452800000000, -0.0005508300000000, -0.0007152300000000 ] - [ -0.0000757900000000, -0.0001790500000000, -0.0000264200000000 ] - [ -0.0005040600000000, -0.0010702400000000, 0.0006161100000000 ] - [ -0.0000270800000000, -0.0000920200000000, -0.0002387500000000 ] - [ -0.0000355400000000, 0.0000736700000000, -0.0000608300000000 ] - [ -0.0025895300000000, 0.0014015500000000, -0.0015313900000000 ] - [ -0.0024785000000000, 0.0012282400000000, -0.0019940800000000 ] - [ -0.0022640100000000, 0.0004085800000000, -0.0013430600000000 ] - [ 0.0002003700000000, -0.0001062100000000, 0.0002191200000000 ] - [ -0.0004367900000000, 0.0008807000000000, 0.0003605400000000 ] - [ -0.0000597100000000, -0.0000607400000000, -0.0002496200000000 ] - [ -0.0014807300000000, -0.0005815100000000, -0.0004825500000000 ] - [ 0.0003593800000000, 0.0004155800000000, -0.0005282800000000 ] - [ 0.0000335200000000, 0.0005351300000000, 0.0001577600000000 ] - [ -0.0003639500000000, -0.0000354700000000, 0.0002599700000000 ] - [ 0.0003393400000000, -0.0002092500000000, -0.0000079600000000 ] - [ 0.0000100800000000, 0.0000611100000000, 0.0004580900000000 ] - [ 0.0001452100000000, 0.0000717200000000, -0.0006711600000000 ] - [ -0.0026200800000000, -0.0029503000000000, 0.0030654000000000 ] - [ -0.0000058600000000, -0.0002991500000000, 0.0001628300000000 ] - [ -0.0007554000000000, 0.0045466800000000, -0.0008169700000000 ] - [ -0.0020536000000000, -0.0006530900000000, -0.0001025800000000 ] - [ -0.0000672500000000, 0.0001705900000000, -0.0002798000000000 ] - [ 0.0001614900000000, -0.0003204300000000, 0.0002511300000000 ] - [ -0.0001847900000000, -0.0000003700000000, -0.0003567100000000 ] - [ -0.0003861100000000, -0.0002054600000000, 0.0002591500000000 ] - [ -0.0005843300000000, 0.0035575700000000, -0.0011142700000000 ] - [ 0.0003628200000000, 0.0009395900000000, 0.0004236400000000 ] - [ -0.0011929500000000, 0.0006625600000000, -0.0016183900000000 ] - [ 0.0000255700000000, -0.0004439000000000, 0.0002583200000000 ] - [ 0.0004205700000000, -0.0007013400000000, 0.0003579600000000 ] - [ 0.0000803300000000, -0.0000700300000000, 0.0002084400000000 ] - [ 0.0001309700000000, -0.0004036800000000, -0.0002848200000000 ] - [ -0.0005986600000000, -0.0005572600000000, -0.0003682600000000 ] - [ 0.0000631800000000, -0.0000021200000000, -0.0002650500000000 ] - [ 0.0000607700000000, -0.0004087000000000, -0.0004053000000000 ] - [ 0.0006138300000000, 0.0003174200000000, -0.0000370600000000 ] - [ -0.0005533100000000, -0.0002685400000000, 0.0001048600000000 ] - [ -0.0000035700000000, 0.0003745800000000, -0.0003439500000000 ] - [ -0.0003674500000000, -0.0001379700000000, -0.0002143200000000 ] - [ -0.0002269600000000, 0.0022466600000000, 0.0000307300000000 ] - [ -0.0014581900000000, 0.0002539700000000, 0.0001239000000000 ] - [ -0.0001328900000000, -0.0001874700000000, -0.0003220800000000 ] - [ -0.0006675700000000, 0.0013245600000000, 0.0010262100000000 ] - [ -0.0000866000000000, 0.0005561600000000, 0.0003109600000000 ] - [ -0.0005399600000000, 0.0007968600000000, -0.0004345600000000 ] - [ 0.0008222800000000, 0.0037330100000000, -0.0008166400000000 ] - [ -0.0000738500000000, -0.0000832200000000, 0.0002593100000000 ] - [ -0.0001790700000000, 0.0006690400000000, -0.0001291100000000 ] - [ 0.0003042700000000, 0.0002127300000000, 0.0000020200000000 ] - [ -0.0002016600000000, -0.0004469600000000, 0.0002740500000000 ] - [ -0.0005148000000000, 0.0003453300000000, 0.0017422800000000 ] - [ -0.0001395200000000, -0.0004310400000000, -0.0001342600000000 ] - [ 0.0026550400000000, -0.0040212400000000, 0.0005791400000000 ] - [ -0.0001402400000000, 0.0000668600000000, 0.0002173300000000 ] - [ -0.0026373500000000, -0.0031455500000000, 0.0025352500000000 ] - [ -0.0003206400000000, -0.0003308000000000, -0.0000739400000000 ] - [ 0.0026734500000000, -0.0041063400000000, 0.0001082500000000 ] - [ 0.0001828000000000, 0.0010277400000000, 0.0001652000000000 ] - [ -0.0005195600000000, 0.0002713000000000, 0.0000942500000000 ] - [ 0.0006204200000000, -0.0000388900000000, 0.0000228900000000 ] - [ -0.0000539600000000, 0.0005169800000000, -0.0004443900000000 ] - [ -0.0001442300000000, 0.0004098700000000, 0.0002122100000000 ] - [ -0.0014860900000000, -0.0007300400000000, 0.0003620000000000 ] - [ 0.0002929200000000, 0.0010434300000000, 0.0000416500000000 ] - [ -0.0000767200000000, 0.0000072300000000, 0.0002237800000000 ] - [ 0.0001983400000000, 0.0000280400000000, -0.0001947600000000 ] - [ -0.0002434500000000, -0.0001636700000000, -0.0001407000000000 ] - [ 0.0003256800000000, -0.0004064400000000, 0.0000775900000000 ] - [ 0.0000641900000000, 0.0000283300000000, 0.0004810900000000 ] - [ 0.0005183700000000, 0.0002601200000000, -0.0006382300000000 ] - [ -0.0002277000000000, 0.0003456800000000, -0.0001066400000000 ] - [ -0.0013597700000000, 0.0001641000000000, -0.0011213800000000 ] - [ 0.0003777200000000, 0.0000628100000000, 0.0000975800000000 ] - [ -0.0001162000000000, -0.0004089100000000, -0.0003898500000000 ] - [ 0.0001923900000000, 0.0001477600000000, -0.0003197100000000 ] - [ 0.0000679900000000, 0.0003351600000000, 0.0002813200000000 ] - [ 0.0005237000000000, -0.0006169800000000, -0.0004321200000000 ] - [ -0.0008087100000000, 0.0000041800000000, -0.0019774100000000 ]- atom: 2 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000183400000000, 0.0001411400000000, 0.0000318200000000 ] - [ 0.0262132200000000, -0.0031622100000000, -0.0364928500000000 ] - [ 0.0006133300000000, 0.0001002400000000, 0.0001365800000000 ] - [ 0.0000235400000000, 0.0000036600000000, 0.0003277400000000 ] - [ -0.0000733100000000, -0.0002465800000000, 0.0009753700000000 ] - [ 0.0006152500000000, 0.0001000600000000, 0.0002628800000000 ] - [ 0.0000179400000000, -0.0001256200000000, 0.0000325600000000 ] - [ -0.0000174800000000, 0.0000030500000000, -0.0004584500000000 ] - [ -0.0000439900000000, -0.0000046300000000, 0.0010406800000000 ] - [ 0.0004269700000000, -0.0000312700000000, -0.0024591200000000 ] - [ -0.0000432700000000, -0.0000044000000000, 0.0001869800000000 ] - [ -0.0005190100000000, -0.0001420200000000, 0.0003288300000000 ] - [ -0.0005209900000000, -0.0001419700000000, 0.0001993600000000 ] - [ -0.0000279900000000, -0.0000061400000000, 0.0009293700000000 ] - [ -0.0000727300000000, 0.0000220500000000, 0.0009763200000000 ] - [ 0.0004380100000000, -0.0000310200000000, -0.0015991500000000 ] - [ -0.0009471500000000, -0.0000971200000000, -0.0001451300000000 ] - [ 0.0006796800000000, -0.0000801600000000, 0.0001878700000000 ] - [ 0.0006602600000000, -0.0000041800000000, 0.0010566300000000 ] - [ 0.0000929300000000, 0.0000227800000000, -0.0002474800000000 ] - [ -0.0003621900000000, 0.0000411500000000, 0.0002912300000000 ] - [ -0.0037398300000000, 0.0027998900000000, 0.0007966700000000 ] - [ -0.0003795500000000, 0.0001165900000000, 0.0009534000000000 ] - [ -0.0027247600000000, 0.0029393000000000, 0.0008907100000000 ] - [ 0.0000686100000000, 0.0000076300000000, -0.0011335600000000 ] - [ -0.0000933000000000, -0.0000185600000000, 0.0025588700000000 ] - [ -0.0000382100000000, -0.0000144200000000, 0.0025672000000000 ] - [ -0.0000352300000000, -0.0000161200000000, 0.0008545900000000 ] - [ -0.0001999100000000, 0.0005545000000000, -0.0117590200000000 ] - [ 0.0003045600000000, 0.0000432800000000, -0.0028434100000000 ] - [ 0.0002973300000000, 0.0000448300000000, -0.0045603400000000 ] - [ 0.0000411300000000, -0.0000032800000000, 0.0008922300000000 ] - [ -0.0008925100000000, -0.0004536800000000, -0.0002002100000000 ] - [ 0.0083355000000000, 0.0091697000000000, 0.0037003600000000 ] - [ 0.0004194200000000, 0.0004683200000000, 0.0034628000000000 ] - [ 0.0005119800000000, 0.0006606800000000, 0.0008299500000000 ] - [ 0.0012109000000000, -0.0003131200000000, -0.0006384400000000 ] - [ 0.0000733300000000, 0.0000255300000000, 0.0004806900000000 ] - [ -0.0006955100000000, -0.0001230100000000, 0.0009853700000000 ] - [ -0.0096048900000000, -0.0070147200000000, 0.0046635700000000 ] - [ -0.0096190900000000, -0.0082992800000000, 0.0045664600000000 ] - [ -0.0009640100000000, 0.0008154600000000, -0.0002852800000000 ] - [ 0.0004429700000000, -0.0001635300000000, -0.0001271100000000 ] - [ 0.0003481000000000, -0.0008041400000000, 0.0035516600000000 ] - [ 0.0004368900000000, -0.0006096300000000, 0.0007510300000000 ] - [ -0.0001542400000000, 0.0004607400000000, 0.0030305800000000 ] - [ -0.0009178900000000, 0.0003114300000000, 0.0025186300000000 ] - [ 0.0076169600000000, 0.0093864500000000, 0.0031929500000000 ] - [ 0.0000228600000000, 0.0000143900000000, 0.0002259400000000 ] - [ 0.0002758800000000, -0.0001405700000000, 0.0000652200000000 ] - [ 0.0002738200000000, -0.0000961100000000, 0.0000526400000000 ] - [ -0.0000142900000000, 0.0000876600000000, 0.0003628200000000 ] - [ -0.0000311700000000, 0.0000568400000000, 0.0000773300000000 ] - [ 0.0001890300000000, 0.0000778600000000, -0.0004315500000000 ] - [ -0.0002087800000000, 0.0007887400000000, 0.0014517400000000 ] - [ 0.0009199400000000, -0.0028646200000000, 0.0030827000000000 ] - [ -0.0001165000000000, -0.0001165800000000, 0.0005602600000000 ] - [ -0.0000059500000000, 0.0010633800000000, 0.0013712900000000 ] - [ -0.0001770100000000, -0.0002587000000000, 0.0001457100000000 ] - [ 0.0007064100000000, -0.0025920500000000, 0.0031538800000000 ] - [ -0.0000988200000000, -0.0000859700000000, -0.0001205000000000 ] - [ 0.0000763800000000, 0.0001305200000000, -0.0000179100000000 ] - [ 0.0013465000000000, -0.0010148400000000, -0.0005264800000000 ] - [ 0.0014273200000000, -0.0011843800000000, -0.0010252700000000 ] - [ -0.0011867300000000, -0.0018434500000000, 0.0032037500000000 ] - [ 0.0003596100000000, 0.0002166100000000, -0.0011360500000000 ] - [ -0.0005865200000000, 0.0005378800000000, -0.0007618500000000 ] - [ 0.0000057200000000, -0.0000147100000000, -0.0006749900000000 ] - [ 0.0026638300000000, 0.0018314500000000, 0.0011256000000000 ] - [ 0.0005985200000000, 0.0003813200000000, 0.0002638000000000 ] - [ 0.0001904800000000, 0.0005300600000000, -0.0001550400000000 ] - [ -0.0001870400000000, 0.0000431700000000, -0.0003152200000000 ] - [ 0.0000841700000000, -0.0000378400000000, 0.0004307100000000 ] - [ 0.0000771900000000, -0.0009634700000000, -0.0011567200000000 ] - [ -0.0005666400000000, 0.0009665800000000, -0.0034538200000000 ] - [ 0.0012790300000000, 0.0036313500000000, 0.0018685900000000 ] - [ -0.0002829000000000, -0.0004004000000000, 0.0003395900000000 ] - [ -0.0024495400000000, -0.0004145100000000, 0.0000376600000000 ] - [ -0.0031094200000000, -0.0020839500000000, 0.0020274400000000 ] - [ 0.0003518000000000, -0.0000959300000000, 0.0001162700000000 ] - [ -0.0000478200000000, -0.0003362800000000, 0.0002700800000000 ] - [ 0.0004592900000000, -0.0004432500000000, -0.0014587900000000 ] - [ -0.0001317200000000, -0.0000108800000000, 0.0010303200000000 ] - [ -0.0023562000000000, -0.0014032600000000, -0.0003701000000000 ] - [ 0.0009081300000000, 0.0007106400000000, 0.0007093600000000 ] - [ -0.0008941900000000, -0.0010322800000000, -0.0015317600000000 ] - [ -0.0006660200000000, 0.0000449900000000, -0.0009464100000000 ] - [ 0.0003451200000000, -0.0006644400000000, 0.0000462200000000 ] - [ 0.0000539600000000, -0.0000758900000000, -0.0005710300000000 ] - [ 0.0003559500000000, -0.0004188100000000, -0.0015997000000000 ] - [ -0.0000547500000000, -0.0007712400000000, -0.0000775300000000 ] - [ 0.0000377300000000, -0.0000014400000000, -0.0010469900000000 ] - [ 0.0002880400000000, -0.0004351400000000, -0.0003528200000000 ] - [ 0.0001959200000000, -0.0000829800000000, -0.0012486000000000 ] - [ -0.0002418400000000, -0.0001138400000000, -0.0003841700000000 ] - [ -0.0006844300000000, 0.0008580400000000, -0.0015440800000000 ] - [ -0.0001142900000000, 0.0000638000000000, 0.0005528700000000 ] - [ -0.0090971200000000, -0.0009962900000000, 0.0094987800000000 ] - [ 0.0026852100000000, 0.0026528500000000, 0.0017264100000000 ] - [ -0.0002567700000000, -0.0002927100000000, -0.0006735000000000 ] - [ 0.0007434100000000, 0.0008162400000000, -0.0022508200000000 ] - [ 0.0001399300000000, 0.0005338200000000, 0.0003570500000000 ] - [ -0.0006148000000000, 0.0008179000000000, -0.0007420300000000 ] - [ -0.0085119300000000, 0.0004300300000000, 0.0089064400000000 ] - [ 0.0003522200000000, -0.0003554300000000, 0.0006601900000000 ] - [ -0.0004552300000000, 0.0005748500000000, 0.0000510300000000 ] - [ 0.0006190300000000, 0.0003687400000000, -0.0004881500000000 ] - [ -0.0003459400000000, -0.0004730400000000, -0.0000426300000000 ] - [ 0.0009002300000000, -0.0001535700000000, -0.0015314800000000 ] - [ 0.0000178200000000, -0.0004461500000000, -0.0004400100000000 ] - [ -0.0002666000000000, -0.0003472300000000, 0.0031673500000000 ] - [ -0.0002554000000000, -0.0000330000000000, -0.0001303000000000 ] - [ 0.0012856400000000, 0.0033707500000000, 0.0012934300000000 ] - [ 0.0000326900000000, -0.0003803700000000, -0.0005714700000000 ] - [ -0.0002900200000000, -0.0004085000000000, 0.0026900800000000 ] - [ 0.0002522700000000, 0.0000136800000000, -0.0014434100000000 ] - [ -0.0007775700000000, 0.0004454000000000, 0.0005365300000000 ] - [ -0.0002217100000000, 0.0000027000000000, 0.0003365800000000 ] - [ -0.0001987300000000, 0.0004960700000000, -0.0007478100000000 ] - [ -0.0002402500000000, 0.0003770300000000, -0.0002580400000000 ] - [ -0.0025390700000000, -0.0021349500000000, 0.0024695900000000 ] - [ -0.0004148800000000, 0.0019334300000000, -0.0027416200000000 ] - [ -0.0000132200000000, 0.0000603500000000, -0.0001984900000000 ] - [ 0.0003788600000000, 0.0001032600000000, -0.0007658100000000 ] - [ -0.0006636500000000, -0.0005659500000000, -0.0013541800000000 ] - [ 0.0005780700000000, -0.0004337400000000, 0.0008623100000000 ] - [ -0.0007899300000000, 0.0000609100000000, 0.0007835400000000 ] - [ 0.0007415900000000, 0.0002522100000000, -0.0019653600000000 ] - [ -0.0004381800000000, 0.0003316500000000, -0.0000954300000000 ] - [ -0.0003021000000000, -0.0022770800000000, 0.0033679800000000 ] - [ 0.0010296700000000, -0.0003851800000000, -0.0010097200000000 ] - [ -0.0002162900000000, -0.0004394200000000, -0.0008589500000000 ] - [ 0.0003611200000000, 0.0004771900000000, -0.0016810700000000 ] - [ 0.0004224800000000, 0.0002874700000000, -0.0002023000000000 ] - [ 0.0003753400000000, -0.0009447600000000, -0.0015481400000000 ] - [ -0.0005063700000000, -0.0017042900000000, -0.0018933700000000 ]- atom: 3 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000539700000000, 0.0001329800000000, -0.0000265800000000 ] - [ 0.0003368400000000, 0.0001457900000000, 0.0006143400000000 ] - [ -0.0526518600000000, -0.0216084500000000, -0.0000573200000000 ] - [ 0.0002832000000000, -0.0000984800000000, 0.0005196500000000 ] - [ 0.0000532400000000, -0.0001322700000000, 0.0000263600000000 ] - [ 0.0003009000000000, -0.0000025900000000, 0.0000630700000000 ] - [ 0.0039148300000000, -0.0004545200000000, 0.0001201000000000 ] - [ 0.0003384700000000, 0.0001463900000000, -0.0006142800000000 ] - [ -0.0009827800000000, -0.0003432900000000, 0.0004268900000000 ] - [ 0.0005184600000000, -0.0000638400000000, -0.0004255700000000 ] - [ 0.0005606000000000, 0.0000963100000000, -0.0004262500000000 ] - [ 0.0008409000000000, -0.0000145000000000, 0.0000629900000000 ] - [ -0.0004091400000000, -0.0000265300000000, -0.0000630800000000 ] - [ 0.0002818900000000, -0.0000989100000000, -0.0005205300000000 ] - [ 0.0039631600000000, -0.0001908800000000, -0.0001214200000000 ] - [ -0.0014549700000000, 0.0005600200000000, 0.0004241500000000 ] - [ -0.0008398200000000, -0.0000793300000000, -0.0001932600000000 ] - [ 0.0008001000000000, -0.0000634400000000, 0.0000400200000000 ] - [ 0.0006533400000000, 0.0018173300000000, -0.0031098300000000 ] - [ 0.0014851100000000, 0.0000734500000000, -0.0002286500000000 ] - [ -0.0003826800000000, 0.0019177300000000, 0.0032045400000000 ] - [ 0.0004429300000000, -0.0000446700000000, 0.0001240200000000 ] - [ -0.0002416300000000, 0.0000550200000000, -0.0001454000000000 ] - [ 0.0002008300000000, 0.0000386600000000, 0.0002981700000000 ] - [ 0.0010289700000000, -0.0007171300000000, -0.0020069800000000 ] - [ 0.0007804400000000, 0.0005386600000000, -0.0019772600000000 ] - [ -0.0033368700000000, 0.0018994600000000, 0.0008666900000000 ] - [ 0.0016294700000000, -0.0004056700000000, -0.0008567800000000 ] - [ 0.0010268800000000, -0.0007141600000000, 0.0020120800000000 ] - [ -0.0048745000000000, -0.0025681500000000, 0.0008417700000000 ] - [ 0.0016320800000000, 0.0003383800000000, -0.0008549800000000 ] - [ 0.0007819700000000, 0.0005367400000000, 0.0019699100000000 ] - [ 0.0025034200000000, -0.0007725200000000, -0.0003189400000000 ] - [ 0.0029800500000000, 0.0075047200000000, 0.0123841800000000 ] - [ -0.0003562200000000, -0.0034889700000000, -0.0105120600000000 ] - [ 0.0009053900000000, 0.0006005000000000, 0.0002262900000000 ] - [ 0.0012951700000000, -0.0000727900000000, -0.0004959600000000 ] - [ 0.0027783900000000, 0.0001890200000000, 0.0004221500000000 ] - [ -0.0011449100000000, -0.0000704300000000, 0.0006871000000000 ] - [ 0.0024323900000000, 0.0004980800000000, 0.0004002700000000 ] - [ -0.0008184000000000, -0.0006364600000000, 0.0005952400000000 ] - [ -0.0008898300000000, 0.0006366700000000, -0.0006778200000000 ] - [ 0.0022102100000000, 0.0075785800000000, -0.0118603100000000 ] - [ 0.0008299500000000, -0.0006737100000000, -0.0001465500000000 ] - [ -0.0003849800000000, -0.0047229300000000, 0.0103920500000000 ] - [ -0.0003843100000000, 0.0000797500000000, -0.0001754200000000 ] - [ 0.0020131300000000, 0.0000408100000000, -0.0009331400000000 ] - [ 0.0005279900000000, 0.0000770000000000, -0.0000145400000000 ] - [ 0.0000378600000000, 0.0000861900000000, 0.0000668500000000 ] - [ -0.0000244100000000, -0.0018050300000000, -0.0022572800000000 ] - [ -0.0002931300000000, -0.0004423100000000, -0.0006549200000000 ] - [ -0.0001088400000000, 0.0000980100000000, 0.0003030100000000 ] - [ 0.0004585800000000, 0.0000787100000000, -0.0003200500000000 ] - [ 0.0001032100000000, 0.0000817700000000, -0.0003228700000000 ] - [ -0.0001621700000000, -0.0001854700000000, 0.0000146800000000 ] - [ 0.0001617500000000, -0.0001903900000000, 0.0000167900000000 ] - [ -0.0001938200000000, -0.0000721200000000, 0.0001767600000000 ] - [ 0.0003838200000000, 0.0001144100000000, -0.0001017700000000 ] - [ 0.0001841800000000, -0.0001563300000000, 0.0000192600000000 ] - [ -0.0002218600000000, -0.0015432500000000, 0.0023457700000000 ] - [ 0.0003732100000000, -0.0000918200000000, -0.0001598800000000 ] - [ -0.0000380200000000, 0.0000813700000000, -0.0000985700000000 ] - [ -0.0003815600000000, -0.0002758800000000, 0.0011377300000000 ] - [ 0.0001878300000000, -0.0000890300000000, -0.0001566900000000 ] - [ -0.0019336200000000, 0.0005933300000000, -0.0028832900000000 ] - [ -0.0007470900000000, -0.0002265900000000, 0.0026234200000000 ] - [ -0.0007982300000000, 0.0007868200000000, 0.0005350200000000 ] - [ 0.0008926900000000, -0.0003328700000000, -0.0008907300000000 ] - [ 0.0008367800000000, -0.0002050400000000, -0.0007460900000000 ] - [ 0.0008657400000000, 0.0006136800000000, 0.0001460600000000 ] - [ -0.0005867900000000, 0.0004050600000000, -0.0000606300000000 ] - [ 0.0003794400000000, -0.0001574100000000, -0.0000658900000000 ] - [ -0.0010849700000000, 0.0001227200000000, 0.0027818500000000 ] - [ -0.0007597100000000, -0.0005614900000000, 0.0003533500000000 ] - [ -0.0002918100000000, -0.0004365300000000, -0.0003241900000000 ] - [ 0.0003202800000000, -0.0000436200000000, -0.0004194500000000 ] - [ -0.0001767600000000, -0.0004731500000000, 0.0002636600000000 ] - [ -0.0003493600000000, 0.0004933500000000, 0.0000286800000000 ] - [ -0.0009281700000000, -0.0000794700000000, -0.0001684800000000 ] - [ -0.0013598800000000, 0.0006244600000000, 0.0001358300000000 ] - [ 0.0122846300000000, 0.0060299900000000, 0.0016488200000000 ] - [ -0.0016289500000000, 0.0003613400000000, 0.0002997800000000 ] - [ -0.0009261600000000, 0.0000004000000000, 0.0005462500000000 ] - [ 0.0006010600000000, -0.0013088400000000, -0.0033351500000000 ] - [ -0.0003068600000000, 0.0008036600000000, 0.0006000000000000 ] - [ 0.0124759300000000, 0.0071991400000000, -0.0012396400000000 ] - [ -0.0006039300000000, -0.0002558600000000, 0.0002713300000000 ] - [ 0.0001618700000000, -0.0007119500000000, 0.0002577600000000 ] - [ -0.0009257400000000, 0.0000056800000000, 0.0005221900000000 ] - [ 0.0000493400000000, -0.0003802700000000, 0.0003460600000000 ] - [ -0.0001352700000000, -0.0007245600000000, 0.0000117300000000 ] - [ 0.0008800400000000, -0.0002656500000000, 0.0004181100000000 ] - [ -0.0007515000000000, -0.0004090200000000, -0.0002173900000000 ] - [ -0.0008088600000000, -0.0000001500000000, 0.0005518100000000 ] - [ -0.0016645000000000, -0.0004790500000000, -0.0004479700000000 ] - [ 0.0047100100000000, -0.0005515700000000, 0.0018185100000000 ] - [ 0.0009685300000000, 0.0005757800000000, 0.0007314400000000 ] - [ -0.0012673500000000, -0.0006939000000000, 0.0001917600000000 ] - [ -0.0013604100000000, -0.0000162800000000, -0.0000074500000000 ] - [ -0.0004098000000000, -0.0002855700000000, -0.0006252400000000 ] - [ -0.0009006100000000, 0.0005558800000000, -0.0005007300000000 ] - [ 0.0001387700000000, 0.0005415600000000, 0.0005868000000000 ] - [ 0.0002580200000000, 0.0016255500000000, -0.0026908100000000 ] - [ 0.0008263800000000, 0.0007740500000000, -0.0008033300000000 ] - [ 0.0003112600000000, -0.0002971000000000, 0.0009582800000000 ] - [ 0.0004293000000000, -0.0003510800000000, 0.0030394000000000 ] - [ 0.0006732800000000, 0.0003477200000000, -0.0007149200000000 ] - [ 0.0018430600000000, 0.0008329500000000, -0.0011921100000000 ] - [ 0.0002872900000000, -0.0004220300000000, 0.0001312600000000 ] - [ 0.0001420700000000, -0.0004768000000000, -0.0003400500000000 ] - [ -0.0009084300000000, 0.0000674100000000, -0.0000741100000000 ] - [ -0.0007616500000000, 0.0000161200000000, -0.0020750000000000 ] - [ -0.0013705500000000, 0.0003719700000000, -0.0006783700000000 ] - [ -0.0012790000000000, -0.0004727300000000, -0.0004664000000000 ] - [ 0.0009571400000000, 0.0005083900000000, -0.0012065800000000 ] - [ 0.0003161600000000, 0.0004896100000000, 0.0000474800000000 ] - [ -0.0009263900000000, 0.0003947600000000, 0.0005207300000000 ] - [ -0.0003664100000000, -0.0001434000000000, -0.0002872900000000 ] - [ -0.0001444400000000, 0.0005269800000000, -0.0003936300000000 ] - [ -0.0006335500000000, 0.0005632800000000, 0.0003309000000000 ] - [ 0.0052202100000000, 0.0005658600000000, -0.0035079500000000 ] - [ 0.0020945900000000, 0.0017040600000000, 0.0018930100000000 ] - [ -0.0009423100000000, 0.0000732000000000, -0.0000485600000000 ] - [ -0.0010662600000000, 0.0004249900000000, -0.0007547100000000 ] - [ -0.0001811300000000, -0.0001328400000000, 0.0006140800000000 ] - [ -0.0013882700000000, -0.0008349700000000, 0.0006088200000000 ] - [ 0.0046343300000000, 0.0006251500000000, 0.0039543700000000 ] - [ -0.0008909500000000, 0.0001917500000000, 0.0001107400000000 ] - [ -0.0004611200000000, 0.0003090500000000, -0.0000807500000000 ] - [ -0.0000683700000000, -0.0000862800000000, -0.0004187100000000 ] - [ 0.0009437400000000, -0.0000945000000000, 0.0005167100000000 ] - [ 0.0047218600000000, -0.0013630900000000, -0.0024197800000000 ] - [ -0.0004161600000000, -0.0000311400000000, 0.0000863000000000 ] - [ 0.0004362700000000, 0.0002860900000000, 0.0000090700000000 ] - [ 0.0012250600000000, 0.0001241000000000, 0.0019012600000000 ] - [ -0.0000722100000000, -0.0003573400000000, -0.0002752400000000 ]- atom: 3 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000006000000000, 0.0000687500000000, -0.0000773400000000 ] - [ 0.0000832500000000, 0.0002313500000000, 0.0001004900000000 ] - [ -0.0216040000000000, -0.0362584300000000, -0.0000381800000000 ] - [ -0.0001694400000000, 0.0002143600000000, -0.0001423000000000 ] - [ 0.0000005600000000, -0.0001977100000000, 0.0000771100000000 ] - [ -0.0000023400000000, -0.0000075500000000, 0.0000635200000000 ] - [ -0.0003690500000000, -0.0015410400000000, 0.0002523300000000 ] - [ 0.0000824900000000, 0.0002317600000000, -0.0000998100000000 ] - [ 0.0003994500000000, 0.0006865000000000, 0.0004259400000000 ] - [ 0.0000491300000000, 0.0000295500000000, -0.0004270600000000 ] - [ -0.0000628900000000, 0.0000380200000000, -0.0004270900000000 ] - [ 0.0000151100000000, -0.0001004700000000, 0.0000636500000000 ] - [ 0.0000258000000000, -0.0001725500000000, -0.0000636700000000 ] - [ -0.0001684300000000, 0.0002142800000000, 0.0001416800000000 ] - [ -0.0003794500000000, -0.0012695100000000, -0.0002517900000000 ] - [ -0.0002830800000000, 0.0011800100000000, 0.0004302200000000 ] - [ -0.0006167700000000, 0.0000266100000000, 0.0000612500000000 ] - [ 0.0004461600000000, -0.0000466800000000, -0.0001130700000000 ] - [ 0.0029477900000000, 0.0014798900000000, -0.0026588400000000 ] - [ 0.0008595200000000, 0.0001202800000000, -0.0000378200000000 ] - [ 0.0018872900000000, 0.0016073700000000, 0.0027485700000000 ] - [ -0.0001822700000000, 0.0000006100000000, -0.0000661900000000 ] - [ -0.0005948000000000, 0.0000733900000000, 0.0000097800000000 ] - [ 0.0004244900000000, 0.0001461200000000, 0.0000422700000000 ] - [ 0.0001168500000000, -0.0011537900000000, -0.0005285000000000 ] - [ -0.0003010200000000, -0.0010791300000000, 0.0006025800000000 ] - [ 0.0015673300000000, -0.0042455300000000, 0.0008627500000000 ] - [ -0.0002944200000000, -0.0002009200000000, -0.0008560900000000 ] - [ 0.0001153100000000, -0.0011525000000000, 0.0005266800000000 ] - [ -0.0014848000000000, -0.0049543200000000, 0.0008453700000000 ] - [ 0.0002643900000000, -0.0001783500000000, -0.0008567400000000 ] - [ -0.0003009800000000, -0.0010800500000000, -0.0006022000000000 ] - [ -0.0000510500000000, -0.0004052200000000, 0.0004206900000000 ] - [ 0.0100559000000000, 0.0086449800000000, 0.0084086600000000 ] - [ -0.0067097300000000, 0.0056250800000000, 0.0093388700000000 ] - [ -0.0000609500000000, 0.0007045700000000, -0.0000479000000000 ] - [ 0.0004253400000000, -0.0000156200000000, -0.0003311100000000 ] - [ 0.0005789600000000, 0.0004838400000000, 0.0001509200000000 ] - [ -0.0005725000000000, 0.0001915800000000, -0.0002237800000000 ] - [ -0.0001239500000000, 0.0008664900000000, -0.0003399700000000 ] - [ 0.0002890200000000, -0.0003326300000000, 0.0005500600000000 ] - [ 0.0002147400000000, 0.0009394600000000, -0.0006316000000000 ] - [ 0.0091956300000000, 0.0088130200000000, -0.0078639900000000 ] - [ -0.0001345100000000, -0.0005669200000000, 0.0001281200000000 ] - [ -0.0068286000000000, 0.0043423900000000, -0.0094855700000000 ] - [ 0.0001939100000000, 0.0003413200000000, 0.0007320100000000 ] - [ -0.0001882600000000, 0.0003344200000000, -0.0006576700000000 ] - [ -0.0003415500000000, 0.0001333400000000, -0.0001782300000000 ] - [ 0.0001258900000000, 0.0003758300000000, -0.0001767900000000 ] - [ -0.0008885900000000, 0.0045766300000000, 0.0038089500000000 ] - [ -0.0006257100000000, 0.0001550700000000, 0.0008983600000000 ] - [ 0.0001366200000000, 0.0002317500000000, 0.0002303000000000 ] - [ -0.0001255100000000, 0.0001148600000000, -0.0002224600000000 ] - [ -0.0000003700000000, 0.0001065200000000, -0.0002780200000000 ] - [ -0.0000740200000000, 0.0001028400000000, 0.0002581600000000 ] - [ 0.0001100800000000, -0.0001512200000000, -0.0000048800000000 ] - [ 0.0000518200000000, 0.0000579800000000, 0.0002521700000000 ] - [ 0.0000006900000000, 0.0002489500000000, -0.0000210100000000 ] - [ -0.0001994200000000, -0.0000234500000000, -0.0000610300000000 ] - [ -0.0010660300000000, 0.0048327700000000, -0.0037245900000000 ] - [ -0.0002105000000000, -0.0000582800000000, -0.0002604200000000 ] - [ -0.0000897800000000, 0.0001211500000000, -0.0000774000000000 ] - [ -0.0007098700000000, 0.0003318400000000, -0.0004140300000000 ] - [ 0.0000844200000000, -0.0000673000000000, -0.0002057800000000 ] - [ -0.0023843900000000, 0.0002364700000000, -0.0018200600000000 ] - [ 0.0019066100000000, 0.0009594900000000, -0.0012631500000000 ] - [ -0.0004182300000000, 0.0006780700000000, 0.0003508200000000 ] - [ -0.0004917200000000, 0.0005594500000000, -0.0003552700000000 ] - [ -0.0000350200000000, -0.0003382500000000, -0.0010751500000000 ] - [ -0.0000129100000000, 0.0004779300000000, 0.0004743000000000 ] - [ 0.0001870600000000, 0.0002015600000000, 0.0000789200000000 ] - [ -0.0002192600000000, -0.0000197300000000, 0.0009972600000000 ] - [ -0.0015222700000000, -0.0002469300000000, 0.0017198500000000 ] - [ 0.0000145600000000, -0.0007741100000000, 0.0002039300000000 ] - [ -0.0000740300000000, -0.0004915800000000, -0.0004185400000000 ] - [ 0.0000049800000000, 0.0001987900000000, -0.0000230500000000 ] - [ 0.0000564400000000, -0.0005310700000000, 0.0001852200000000 ] - [ -0.0001157800000000, 0.0004445500000000, 0.0000989200000000 ] - [ -0.0003414800000000, 0.0000402200000000, -0.0002247800000000 ] - [ 0.0001044200000000, 0.0003338500000000, -0.0004860100000000 ] - [ 0.0063879200000000, 0.0060170200000000, 0.0006861300000000 ] - [ -0.0002954600000000, -0.0000352600000000, -0.0001428000000000 ] - [ -0.0002893000000000, 0.0000937900000000, 0.0003450400000000 ] - [ -0.0001350000000000, -0.0054356100000000, 0.0008867600000000 ] - [ 0.0003795600000000, 0.0005221900000000, 0.0003085600000000 ] - [ 0.0063102800000000, 0.0068664100000000, -0.0002851000000000 ] - [ 0.0000969700000000, -0.0004168800000000, 0.0003161000000000 ] - [ 0.0005434200000000, -0.0008037100000000, 0.0004390100000000 ] - [ 0.0003271100000000, 0.0000856000000000, 0.0001295700000000 ] - [ -0.0001249100000000, -0.0003131900000000, -0.0000657200000000 ] - [ -0.0004708500000000, -0.0009679000000000, -0.0002402400000000 ] - [ -0.0005087500000000, 0.0006343900000000, -0.0001230800000000 ] - [ 0.0002562000000000, -0.0005343700000000, -0.0005436800000000 ] - [ 0.0002664900000000, 0.0003775900000000, 0.0003851300000000 ] - [ -0.0005943500000000, -0.0001046100000000, -0.0002833100000000 ] - [ 0.0003463500000000, 0.0024859600000000, -0.0028069200000000 ] - [ 0.0005189900000000, 0.0008583300000000, -0.0004600500000000 ] - [ -0.0005828500000000, -0.0009600100000000, 0.0004813200000000 ] - [ -0.0000145900000000, 0.0004129100000000, 0.0003606500000000 ] - [ 0.0000322800000000, -0.0000833800000000, -0.0002576200000000 ] - [ 0.0001070600000000, 0.0004348600000000, -0.0001624000000000 ] - [ -0.0001414900000000, 0.0003221700000000, 0.0006772800000000 ] - [ -0.0003618200000000, -0.0021656300000000, 0.0009186000000000 ] - [ 0.0004911100000000, 0.0005150300000000, -0.0005499600000000 ] - [ 0.0000043200000000, -0.0000601900000000, 0.0005678900000000 ] - [ -0.0002961200000000, -0.0044790200000000, -0.0011741300000000 ] - [ 0.0004344000000000, 0.0002470900000000, 0.0002735200000000 ] - [ 0.0013436600000000, -0.0010405200000000, 0.0007756400000000 ] - [ 0.0000069500000000, -0.0006469000000000, 0.0000293700000000 ] - [ -0.0001096100000000, -0.0007439500000000, 0.0000838500000000 ] - [ -0.0002724300000000, 0.0001681700000000, 0.0001342000000000 ] - [ 0.0019088100000000, 0.0012261100000000, 0.0018118900000000 ] - [ 0.0001033000000000, 0.0000741000000000, -0.0000583800000000 ] - [ -0.0004766700000000, -0.0003708700000000, -0.0004453800000000 ] - [ 0.0005021100000000, 0.0007835000000000, -0.0000162700000000 ] - [ 0.0000628900000000, 0.0002326100000000, -0.0003671500000000 ] - [ -0.0004182500000000, 0.0002597300000000, 0.0000605500000000 ] - [ 0.0002248300000000, -0.0000194400000000, -0.0002264900000000 ] - [ 0.0000742700000000, 0.0004778500000000, -0.0002870100000000 ] - [ 0.0000758300000000, 0.0003988500000000, 0.0002844700000000 ] - [ -0.0002039600000000, 0.0010854800000000, -0.0025862100000000 ] - [ 0.0015934900000000, -0.0002107200000000, -0.0000875300000000 ] - [ 0.0003105800000000, 0.0001600600000000, 0.0003479700000000 ] - [ 0.0002706500000000, 0.0000246300000000, -0.0003099300000000 ] - [ -0.0004278200000000, -0.0002355200000000, -0.0003772800000000 ] - [ -0.0000357800000000, -0.0004028000000000, 0.0002405000000000 ] - [ -0.0007942900000000, 0.0010902400000000, 0.0030708000000000 ] - [ -0.0000853500000000, 0.0002952600000000, 0.0000758200000000 ] - [ -0.0001780500000000, 0.0003206100000000, -0.0001245000000000 ] - [ 0.0004433900000000, -0.0002225200000000, 0.0000432400000000 ] - [ 0.0003482800000000, 0.0000399000000000, -0.0005468200000000 ] - [ 0.0003479000000000, 0.0017195500000000, 0.0021700000000000 ] - [ 0.0000314000000000, 0.0001754300000000, -0.0002866600000000 ] - [ 0.0002652100000000, 0.0003534000000000, 0.0004349000000000 ] - [ 0.0005963700000000, -0.0036555200000000, -0.0017019900000000 ] - [ 0.0002124000000000, -0.0003453700000000, -0.0002438800000000 ]- atom: 3 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000049000000000, 0.0002116800000000, 0.0005441600000000 ] - [ 0.0004501700000000, 0.0000703900000000, 0.0001986900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0256943200000000 ] - [ 0.0004850700000000, -0.0001041800000000, 0.0002648600000000 ] - [ -0.0000049000000000, -0.0002116800000000, 0.0005441600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003504000000000 ] - [ 0.0000186500000000, 0.0001191800000000, -0.0013629600000000 ] - [ -0.0004501700000000, -0.0000703900000000, 0.0001986900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015255000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003612200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004302900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002647800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008905100000000 ] - [ -0.0004850700000000, 0.0001041800000000, 0.0002648600000000 ] - [ -0.0000186500000000, -0.0001191800000000, -0.0013629600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012182900000000 ] - [ -0.0007723500000000, 0.0000276500000000, 0.0010091500000000 ] - [ 0.0006733400000000, -0.0000773600000000, 0.0002729600000000 ] - [ -0.0024457600000000, -0.0021128600000000, -0.0000541300000000 ] - [ 0.0001423700000000, 0.0000226200000000, -0.0004003200000000 ] - [ 0.0024457600000000, 0.0021128600000000, -0.0000541300000000 ] - [ -0.0001423700000000, -0.0000226200000000, -0.0004003200000000 ] - [ -0.0006733400000000, 0.0000773600000000, 0.0002729600000000 ] - [ 0.0007723500000000, -0.0000276500000000, 0.0010091500000000 ] - [ -0.0021829400000000, 0.0001749400000000, 0.0008306300000000 ] - [ -0.0019212600000000, -0.0004686700000000, 0.0009999100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0090074300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007753200000000 ] - [ 0.0021829400000000, -0.0001749400000000, 0.0008306300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0106592500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008098600000000 ] - [ 0.0019212600000000, 0.0004686700000000, 0.0009999100000000 ] - [ -0.0006827000000000, -0.0004192800000000, -0.0012884800000000 ] - [ 0.0122522000000000, 0.0076854600000000, -0.0047646100000000 ] - [ -0.0101889200000000, 0.0085458400000000, -0.0041689800000000 ] - [ 0.0004584900000000, 0.0007902300000000, 0.0010662200000000 ] - [ -0.0000821200000000, 0.0000671300000000, 0.0007834400000000 ] - [ 0.0010875600000000, 0.0001493100000000, -0.0016062600000000 ] - [ 0.0006954600000000, -0.0005608400000000, 0.0026346000000000 ] - [ 0.0006827000000000, 0.0004192800000000, -0.0012884800000000 ] - [ 0.0010734200000000, -0.0002933500000000, 0.0026540100000000 ] - [ -0.0010734200000000, 0.0002933500000000, 0.0026540100000000 ] - [ -0.0122522000000000, -0.0076854600000000, -0.0047646100000000 ] - [ -0.0004584900000000, -0.0007902300000000, 0.0010662200000000 ] - [ 0.0101889200000000, -0.0085458400000000, -0.0041689800000000 ] - [ -0.0006954600000000, 0.0005608400000000, 0.0026346000000000 ] - [ -0.0010875600000000, -0.0001493100000000, -0.0016062600000000 ] - [ 0.0000821200000000, -0.0000671300000000, 0.0007834400000000 ] - [ 0.0000810300000000, -0.0007721700000000, 0.0011870500000000 ] - [ -0.0002735700000000, -0.0023235900000000, -0.0033694500000000 ] - [ -0.0010109800000000, 0.0007044100000000, 0.0006586700000000 ] - [ 0.0000488400000000, 0.0001881900000000, 0.0005370000000000 ] - [ -0.0001958900000000, 0.0001398800000000, -0.0002732700000000 ] - [ -0.0001223300000000, 0.0000549400000000, -0.0001605100000000 ] - [ -0.0000810300000000, 0.0007721700000000, 0.0011870500000000 ] - [ 0.0001475600000000, -0.0005078400000000, 0.0004506000000000 ] - [ -0.0000488400000000, -0.0001881900000000, 0.0005370000000000 ] - [ 0.0000057200000000, -0.0002812500000000, -0.0006440600000000 ] - [ -0.0000057200000000, 0.0002812500000000, -0.0006440600000000 ] - [ 0.0002735700000000, 0.0023235900000000, -0.0033694500000000 ] - [ 0.0001958900000000, -0.0001398800000000, -0.0002732700000000 ] - [ -0.0001475600000000, 0.0005078400000000, 0.0004506000000000 ] - [ 0.0010109800000000, -0.0007044100000000, 0.0006586700000000 ] - [ 0.0001223300000000, -0.0000549400000000, -0.0001605100000000 ] - [ -0.0026340800000000, 0.0000211900000000, 0.0006859400000000 ] - [ 0.0025527600000000, -0.0002176700000000, 0.0006100300000000 ] - [ -0.0003206200000000, 0.0006940500000000, 0.0001095400000000 ] - [ -0.0012319800000000, -0.0003225800000000, -0.0014538600000000 ] - [ -0.0006215700000000, -0.0009185100000000, -0.0021611200000000 ] - [ 0.0006215700000000, 0.0009185100000000, -0.0021611200000000 ] - [ -0.0001722100000000, 0.0003257100000000, 0.0006890800000000 ] - [ -0.0011312100000000, 0.0005175200000000, -0.0017707400000000 ] - [ 0.0026340800000000, -0.0000211900000000, 0.0006859400000000 ] - [ 0.0001722100000000, -0.0003257100000000, 0.0006890800000000 ] - [ -0.0000563100000000, -0.0002902800000000, -0.0011791700000000 ] - [ -0.0003484300000000, -0.0000596900000000, -0.0005015100000000 ] - [ 0.0002342200000000, -0.0006862700000000, -0.0003069600000000 ] - [ -0.0002342200000000, 0.0006862700000000, -0.0003069600000000 ] - [ -0.0003150200000000, 0.0001240900000000, -0.0005018400000000 ] - [ 0.0009029600000000, -0.0003308000000000, 0.0002868600000000 ] - [ 0.0014052400000000, -0.0001901100000000, 0.0059356200000000 ] - [ -0.0001943300000000, 0.0000336300000000, 0.0000580100000000 ] - [ 0.0004115400000000, -0.0001024500000000, 0.0001118300000000 ] - [ -0.0012329000000000, -0.0028451000000000, 0.0025952900000000 ] - [ 0.0007520500000000, 0.0008133100000000, 0.0006806400000000 ] - [ -0.0014052400000000, 0.0001901100000000, 0.0059356200000000 ] - [ 0.0000653500000000, -0.0003272100000000, 0.0000216400000000 ] - [ 0.0003206200000000, -0.0006940500000000, 0.0001095400000000 ] - [ 0.0005240200000000, 0.0000433300000000, 0.0000695700000000 ] - [ -0.0000577000000000, -0.0001653700000000, -0.0013783300000000 ] - [ -0.0001367800000000, -0.0008141900000000, -0.0012683200000000 ] - [ 0.0012319800000000, 0.0003225800000000, -0.0014538600000000 ] - [ 0.0000702000000000, -0.0007053500000000, 0.0006975000000000 ] - [ 0.0013574000000000, 0.0006168200000000, 0.0006676200000000 ] - [ -0.0013574000000000, -0.0006168200000000, 0.0006676200000000 ] - [ 0.0026970400000000, -0.0017782900000000, 0.0009077700000000 ] - [ 0.0017886400000000, -0.0004444600000000, -0.0017098700000000 ] - [ -0.0007520500000000, -0.0008133100000000, 0.0006806400000000 ] - [ -0.0001383800000000, 0.0004575400000000, 0.0005724900000000 ] - [ -0.0005950500000000, -0.0004125100000000, -0.0008158000000000 ] - [ -0.0000702000000000, 0.0007053500000000, 0.0006975000000000 ] - [ 0.0000527800000000, 0.0009197900000000, -0.0015511900000000 ] - [ -0.0021961100000000, 0.0021158200000000, 0.0005775400000000 ] - [ 0.0001367800000000, 0.0008141900000000, -0.0012683200000000 ] - [ 0.0003484300000000, 0.0000596900000000, -0.0005015100000000 ] - [ 0.0012329000000000, 0.0028451000000000, 0.0025952900000000 ] - [ 0.0001499000000000, 0.0004971700000000, -0.0008790600000000 ] - [ -0.0008210000000000, 0.0013614600000000, 0.0070085400000000 ] - [ -0.0000527800000000, -0.0009197900000000, -0.0015511900000000 ] - [ -0.0002919800000000, 0.0000006200000000, -0.0012346700000000 ] - [ -0.0004115400000000, 0.0001024500000000, 0.0001118300000000 ] - [ -0.0025527600000000, 0.0002176700000000, 0.0006100300000000 ] - [ -0.0009029600000000, 0.0003308000000000, 0.0002868600000000 ] - [ -0.0001843600000000, -0.0002451500000000, 0.0007509100000000 ] - [ -0.0017886400000000, 0.0004444600000000, -0.0017098700000000 ] - [ 0.0002919800000000, -0.0000006200000000, -0.0012346700000000 ] - [ 0.0002996700000000, -0.0000360100000000, -0.0006106100000000 ] - [ 0.0003150200000000, -0.0001240900000000, -0.0005018400000000 ] - [ 0.0000563100000000, 0.0002902800000000, -0.0011791700000000 ] - [ -0.0000653500000000, 0.0003272100000000, 0.0000216400000000 ] - [ -0.0032173600000000, -0.0028448900000000, 0.0015367900000000 ] - [ 0.0008210000000000, -0.0013614600000000, 0.0070085400000000 ] - [ -0.0005240200000000, -0.0000433300000000, 0.0000695700000000 ] - [ 0.0001943300000000, -0.0000336300000000, 0.0000580100000000 ] - [ -0.0001499000000000, -0.0004971700000000, -0.0008790600000000 ] - [ 0.0001383800000000, -0.0004575400000000, 0.0005724900000000 ] - [ 0.0032173600000000, 0.0028448900000000, 0.0015367900000000 ] - [ 0.0001843600000000, 0.0002451500000000, 0.0007509100000000 ] - [ -0.0001595200000000, 0.0004056600000000, -0.0009068800000000 ] - [ -0.0002996700000000, 0.0000360100000000, -0.0006106100000000 ] - [ 0.0011312100000000, -0.0005175200000000, -0.0017707400000000 ] - [ -0.0026970400000000, 0.0017782900000000, 0.0009077700000000 ] - [ 0.0005950500000000, 0.0004125100000000, -0.0008158000000000 ] - [ 0.0000577000000000, 0.0001653700000000, -0.0013783300000000 ] - [ 0.0021961100000000, -0.0021158200000000, 0.0005775400000000 ] - [ 0.0001595200000000, -0.0004056600000000, -0.0009068800000000 ]- atom: 3 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0000056500000000, 0.0000547200000000, -0.0005444000000000 ] - [ -0.0004498600000000, -0.0000711600000000, -0.0002009500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0256622000000000 ] - [ -0.0004856900000000, 0.0001040400000000, -0.0002635900000000 ] - [ 0.0000056500000000, -0.0000547200000000, -0.0005444000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002237800000000 ] - [ -0.0000054700000000, -0.0003862800000000, 0.0013638600000000 ] - [ 0.0004498600000000, 0.0000711600000000, -0.0002009500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006727000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004929300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004219800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003917300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010173900000000 ] - [ 0.0004856900000000, -0.0001040400000000, -0.0002635900000000 ] - [ 0.0000054700000000, 0.0003862800000000, 0.0013638600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003668100000000 ] - [ -0.0002695000000000, -0.0001452500000000, -0.0009034400000000 ] - [ 0.0003674100000000, -0.0000414900000000, -0.0003769700000000 ] - [ 0.0035046000000000, 0.0020143100000000, 0.0001666400000000 ] - [ 0.0008994300000000, 0.0000958300000000, 0.0002948000000000 ] - [ -0.0035046000000000, -0.0020143100000000, 0.0001666400000000 ] - [ -0.0008994300000000, -0.0000958300000000, 0.0002948000000000 ] - [ -0.0003674100000000, 0.0000414900000000, -0.0003769700000000 ] - [ 0.0002695000000000, 0.0001452500000000, -0.0009034400000000 ] - [ 0.0021736700000000, -0.0001792600000000, -0.0008351800000000 ] - [ 0.0019285900000000, 0.0004678300000000, -0.0009975200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0073542800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009348800000000 ] - [ -0.0021736700000000, 0.0001792600000000, -0.0008351800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0088505400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009059700000000 ] - [ -0.0019285900000000, -0.0004678300000000, -0.0009975200000000 ] - [ 0.0007569500000000, -0.0008511200000000, 0.0013667200000000 ] - [ -0.0114452700000000, -0.0077998800000000, 0.0051980500000000 ] - [ 0.0103008400000000, -0.0073256600000000, 0.0041453200000000 ] - [ -0.0003871300000000, 0.0004803400000000, -0.0009845900000000 ] - [ 0.0008477500000000, -0.0002165300000000, -0.0012924700000000 ] - [ -0.0003194100000000, -0.0000001500000000, 0.0011030400000000 ] - [ -0.0014655000000000, 0.0004117700000000, -0.0021267500000000 ] - [ -0.0007569500000000, 0.0008511200000000, 0.0013667200000000 ] - [ -0.0009969700000000, -0.0009755900000000, -0.0027363300000000 ] - [ 0.0009969700000000, 0.0009755900000000, -0.0027363300000000 ] - [ 0.0114452700000000, 0.0077998800000000, 0.0051980500000000 ] - [ 0.0003871300000000, -0.0004803400000000, -0.0009845900000000 ] - [ -0.0103008400000000, 0.0073256600000000, 0.0041453200000000 ] - [ 0.0014655000000000, -0.0004117700000000, -0.0021267500000000 ] - [ 0.0003194100000000, 0.0000001500000000, 0.0011030400000000 ] - [ -0.0008477500000000, 0.0002165300000000, -0.0012924700000000 ] - [ 0.0001188000000000, 0.0010434200000000, -0.0011056000000000 ] - [ 0.0004778300000000, 0.0020453000000000, 0.0034361300000000 ] - [ 0.0010886200000000, -0.0008680700000000, -0.0001755300000000 ] - [ 0.0000368800000000, -0.0000174100000000, -0.0000558600000000 ] - [ 0.0002810800000000, 0.0000323000000000, -0.0002079100000000 ] - [ 0.0000373000000000, 0.0001177400000000, -0.0003219500000000 ] - [ -0.0001188000000000, -0.0010434200000000, -0.0011056000000000 ] - [ 0.0000523600000000, 0.0002365700000000, -0.0005327900000000 ] - [ -0.0000368800000000, 0.0000174100000000, -0.0000558600000000 ] - [ 0.0001936400000000, 0.0005530900000000, 0.0005629200000000 ] - [ -0.0001936400000000, -0.0005530900000000, 0.0005629200000000 ] - [ -0.0004778300000000, -0.0020453000000000, 0.0034361300000000 ] - [ -0.0002810800000000, -0.0000323000000000, -0.0002079100000000 ] - [ -0.0000523600000000, -0.0002365700000000, -0.0005327900000000 ] - [ -0.0010886200000000, 0.0008680700000000, -0.0001755300000000 ] - [ -0.0000373000000000, -0.0001177400000000, -0.0003219500000000 ] - [ 0.0017752700000000, 0.0004549300000000, -0.0007762500000000 ] - [ -0.0025540400000000, -0.0000309500000000, -0.0000794800000000 ] - [ -0.0006402000000000, 0.0007964800000000, 0.0006780400000000 ] - [ 0.0012539200000000, 0.0002558000000000, 0.0009843100000000 ] - [ 0.0005925300000000, 0.0000993600000000, 0.0015588900000000 ] - [ -0.0005925300000000, -0.0000993600000000, 0.0015588900000000 ] - [ 0.0003451900000000, 0.0006426100000000, -0.0003992000000000 ] - [ 0.0005701300000000, -0.0005816700000000, 0.0022236700000000 ] - [ -0.0017752700000000, -0.0004549300000000, -0.0007762500000000 ] - [ -0.0003451900000000, -0.0006426100000000, -0.0003992000000000 ] - [ -0.0000919800000000, -0.0006744500000000, 0.0004634500000000 ] - [ 0.0003521700000000, 0.0003150600000000, 0.0010434600000000 ] - [ -0.0000605600000000, -0.0002818900000000, 0.0005991400000000 ] - [ 0.0000605600000000, 0.0002818900000000, 0.0005991400000000 ] - [ -0.0002478300000000, -0.0000619800000000, 0.0000496300000000 ] - [ -0.0008958800000000, 0.0005861800000000, -0.0008245600000000 ] - [ -0.0009421100000000, -0.0004324100000000, -0.0055518100000000 ] - [ -0.0003673200000000, -0.0000965900000000, -0.0005132800000000 ] - [ -0.0004280800000000, 0.0000327900000000, 0.0003646100000000 ] - [ 0.0014017800000000, 0.0018739000000000, -0.0028678400000000 ] - [ 0.0002085200000000, 0.0006779800000000, 0.0001090800000000 ] - [ 0.0009421100000000, 0.0004324100000000, -0.0055518100000000 ] - [ -0.0000400200000000, -0.0004891000000000, 0.0005781400000000 ] - [ 0.0006402000000000, -0.0007964800000000, 0.0006780400000000 ] - [ -0.0005079700000000, -0.0001132700000000, 0.0004036500000000 ] - [ -0.0003315100000000, -0.0005028800000000, 0.0017385200000000 ] - [ -0.0008231200000000, -0.0006764800000000, 0.0004805600000000 ] - [ -0.0012539200000000, -0.0002558000000000, 0.0009843100000000 ] - [ 0.0000767700000000, -0.0002588300000000, -0.0014118800000000 ] - [ -0.0005014500000000, -0.0001365500000000, -0.0005677000000000 ] - [ 0.0005014500000000, 0.0001365500000000, -0.0005677000000000 ] - [ -0.0026863800000000, 0.0025015000000000, -0.0017245200000000 ] - [ -0.0017616800000000, 0.0005113100000000, 0.0012267800000000 ] - [ -0.0002085200000000, -0.0006779800000000, 0.0001090800000000 ] - [ 0.0001647500000000, 0.0003593600000000, 0.0000297600000000 ] - [ 0.0006031900000000, 0.0001570400000000, 0.0002742700000000 ] - [ -0.0000767700000000, 0.0002588300000000, -0.0014118800000000 ] - [ -0.0002001800000000, 0.0000449100000000, 0.0022667900000000 ] - [ 0.0012416200000000, -0.0006262500000000, -0.0013787800000000 ] - [ 0.0008231200000000, 0.0006764800000000, 0.0004805600000000 ] - [ -0.0003521700000000, -0.0003150600000000, 0.0010434600000000 ] - [ -0.0014017800000000, -0.0018739000000000, -0.0028678400000000 ] - [ 0.0007104500000000, -0.0000158000000000, 0.0007735300000000 ] - [ 0.0006756200000000, -0.0023283600000000, -0.0063171900000000 ] - [ 0.0002001800000000, -0.0000449100000000, 0.0022667900000000 ] - [ 0.0001193000000000, -0.0009689300000000, 0.0009424100000000 ] - [ 0.0004280800000000, -0.0000327900000000, 0.0003646100000000 ] - [ 0.0025540400000000, 0.0000309500000000, -0.0000794800000000 ] - [ 0.0008958800000000, -0.0005861800000000, -0.0008245600000000 ] - [ -0.0002060900000000, -0.0004234900000000, -0.0011132800000000 ] - [ 0.0017616800000000, -0.0005113100000000, 0.0012267800000000 ] - [ -0.0001193000000000, 0.0009689300000000, 0.0009424100000000 ] - [ -0.0011547300000000, 0.0005170400000000, 0.0007144800000000 ] - [ 0.0002478300000000, 0.0000619800000000, 0.0000496300000000 ] - [ 0.0000919800000000, 0.0006744500000000, 0.0004634500000000 ] - [ 0.0000400200000000, 0.0004891000000000, 0.0005781400000000 ] - [ 0.0038136800000000, 0.0028578400000000, -0.0009057300000000 ] - [ -0.0006756200000000, 0.0023283600000000, -0.0063171900000000 ] - [ 0.0005079700000000, 0.0001132700000000, 0.0004036500000000 ] - [ 0.0003673200000000, 0.0000965900000000, -0.0005132800000000 ] - [ -0.0007104500000000, 0.0000158000000000, 0.0007735300000000 ] - [ -0.0001647500000000, -0.0003593600000000, 0.0000297600000000 ] - [ -0.0038136800000000, -0.0028578400000000, -0.0009057300000000 ] - [ 0.0002060900000000, 0.0004234900000000, -0.0011132800000000 ] - [ -0.0002287600000000, 0.0002624200000000, 0.0005463400000000 ] - [ 0.0011547300000000, -0.0005170400000000, 0.0007144800000000 ] - [ -0.0005701300000000, 0.0005816700000000, 0.0022236700000000 ] - [ 0.0026863800000000, -0.0025015000000000, -0.0017245200000000 ] - [ -0.0006031900000000, -0.0001570400000000, 0.0002742700000000 ] - [ 0.0003315100000000, 0.0005028800000000, 0.0017385200000000 ] - [ -0.0012416200000000, 0.0006262500000000, -0.0013787800000000 ] - [ 0.0002287600000000, -0.0002624200000000, 0.0005463400000000 ]- atom: 9 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0003947200000000, 0.0002125200000000, 0.0004560500000000 ] - [ 0.0000932000000000, 0.0000191400000000, -0.0000436500000000 ] - [ -0.0009832700000000, 0.0003991300000000, -0.0000642600000000 ] - [ 0.0037701300000000, -0.0000421600000000, -0.0004285000000000 ] - [ 0.0003936100000000, -0.0000528200000000, -0.0004576200000000 ] - [ 0.0005613000000000, -0.0000625100000000, 0.0000628500000000 ] - [ 0.0002700600000000, 0.0000109100000000, -0.0004466700000000 ] - [ 0.0000939700000000, 0.0000193100000000, 0.0000435900000000 ] - [ -0.0460242200000000, -0.0097288300000000, 0.0003530000000000 ] - [ 0.0003585000000000, -0.0000661400000000, -0.0004260200000000 ] - [ 0.0008225000000000, 0.0000998000000000, -0.0004257800000000 ] - [ 0.0005190900000000, -0.0000489900000000, 0.0000636500000000 ] - [ -0.0014554700000000, 0.0002829400000000, -0.0000611500000000 ] - [ 0.0038181900000000, -0.0000402100000000, 0.0004364800000000 ] - [ 0.0002684300000000, 0.0002757600000000, 0.0004476400000000 ] - [ -0.0005367000000000, 0.0000964700000000, 0.0004262200000000 ] - [ -0.0008573100000000, -0.0000314600000000, 0.0006947400000000 ] - [ 0.0015172800000000, 0.0000151000000000, 0.0001102100000000 ] - [ 0.0004358000000000, -0.0020948100000000, 0.0023969400000000 ] - [ 0.0007854400000000, 0.0000508600000000, -0.0001986200000000 ] - [ -0.0005985900000000, -0.0019703400000000, -0.0022775200000000 ] - [ -0.0002564600000000, -0.0000674900000000, 0.0000945200000000 ] - [ 0.0004761800000000, 0.0001339900000000, -0.0002162000000000 ] - [ 0.0001837100000000, 0.0000868200000000, -0.0005886900000000 ] - [ 0.0001619700000000, -0.0001192000000000, 0.0001912000000000 ] - [ 0.0026412900000000, 0.0005689000000000, 0.0003357400000000 ] - [ -0.0087389400000000, 0.0021231600000000, 0.0008542400000000 ] - [ 0.0024078600000000, -0.0004376000000000, -0.0008551500000000 ] - [ 0.0001600700000000, -0.0001186200000000, -0.0001916300000000 ] - [ -0.0012148700000000, -0.0005675600000000, 0.0008556100000000 ] - [ 0.0009339500000000, 0.0003300500000000, -0.0008561100000000 ] - [ 0.0026396000000000, 0.0005716100000000, -0.0003315400000000 ] - [ 0.0008794500000000, -0.0005821800000000, -0.0004669400000000 ] - [ -0.0004277000000000, -0.0004649900000000, 0.0012767900000000 ] - [ -0.0007028200000000, 0.0097956300000000, 0.0069091400000000 ] - [ 0.0026970500000000, 0.0004438500000000, 0.0006855800000000 ] - [ 0.0013498300000000, 0.0000040300000000, 0.0003988900000000 ] - [ 0.0027829400000000, -0.0000599600000000, -0.0010252500000000 ] - [ 0.0014463500000000, 0.0112351300000000, 0.0067290200000000 ] - [ 0.0008031900000000, 0.0006925400000000, 0.0005492600000000 ] - [ -0.0009833400000000, -0.0008027200000000, -0.0024810200000000 ] - [ -0.0010562200000000, 0.0004705700000000, 0.0024001000000000 ] - [ -0.0011912200000000, -0.0003165000000000, -0.0007661100000000 ] - [ 0.0026257200000000, -0.0008310800000000, -0.0006096800000000 ] - [ -0.0007578000000000, 0.0085235300000000, -0.0069555600000000 ] - [ 0.0021889000000000, 0.0114359800000000, -0.0062862200000000 ] - [ 0.0020193700000000, -0.0002086400000000, 0.0005182000000000 ] - [ 0.0005822200000000, 0.0001541500000000, -0.0009131100000000 ] - [ -0.0001498600000000, -0.0035080900000000, 0.0038540600000000 ] - [ 0.0000563200000000, -0.0009402000000000, -0.0011428500000000 ] - [ -0.0000749400000000, -0.0000455900000000, 0.0001342100000000 ] - [ 0.0009698400000000, -0.0027939400000000, 0.0017425600000000 ] - [ 0.0004594000000000, 0.0001038100000000, -0.0001742000000000 ] - [ 0.0001060700000000, 0.0000683600000000, -0.0002003900000000 ] - [ -0.0003485000000000, -0.0037849800000000, -0.0037818900000000 ] - [ 0.0002181700000000, 0.0000539000000000, -0.0003295600000000 ] - [ 0.0008829900000000, -0.0029927300000000, -0.0012762000000000 ] - [ 0.0003219000000000, 0.0004504900000000, 0.0003336300000000 ] - [ 0.0001223100000000, 0.0001769600000000, -0.0004135700000000 ] - [ -0.0001433700000000, -0.0006662100000000, 0.0012222100000000 ] - [ 0.0003746200000000, -0.0000669200000000, -0.0003044400000000 ] - [ 0.0000186000000000, 0.0003246300000000, 0.0002463800000000 ] - [ -0.0001601700000000, 0.0001249500000000, 0.0003451600000000 ] - [ 0.0001908100000000, -0.0001022800000000, -0.0002791000000000 ] - [ -0.0004211400000000, 0.0003425800000000, -0.0002189900000000 ] - [ -0.0005558200000000, -0.0017188800000000, -0.0004125900000000 ] - [ -0.0015832900000000, 0.0008781200000000, 0.0005909500000000 ] - [ 0.0005938700000000, 0.0020746900000000, -0.0004148800000000 ] - [ 0.0011464600000000, 0.0000451200000000, 0.0002994100000000 ] - [ 0.0011741500000000, 0.0008643200000000, -0.0009022700000000 ] - [ -0.0007370800000000, 0.0004122600000000, 0.0005202500000000 ] - [ 0.0047922500000000, -0.0024165200000000, 0.0009325600000000 ] - [ 0.0004354200000000, -0.0001367100000000, 0.0001178700000000 ] - [ -0.0009102800000000, -0.0005552100000000, -0.0002304000000000 ] - [ -0.0006168100000000, -0.0005266000000000, 0.0001299800000000 ] - [ -0.0001037100000000, 0.0002735100000000, 0.0008928000000000 ] - [ -0.0002020500000000, -0.0005679900000000, -0.0001252800000000 ] - [ -0.0003743400000000, 0.0003980600000000, 0.0004190100000000 ] - [ -0.0009744400000000, -0.0001823900000000, 0.0000739400000000 ] - [ -0.0002948600000000, 0.0001806700000000, -0.0001504300000000 ] - [ 0.0006247800000000, -0.0001778600000000, 0.0009963300000000 ] - [ -0.0016240400000000, 0.0002802200000000, -0.0000011300000000 ] - [ -0.0004551700000000, -0.0000685200000000, 0.0002077300000000 ] - [ 0.0002990400000000, 0.0000110900000000, -0.0008210200000000 ] - [ 0.0002108900000000, 0.0007684300000000, 0.0005106400000000 ] - [ 0.0002382400000000, 0.0004890800000000, -0.0006380000000000 ] - [ -0.0014553900000000, 0.0000268000000000, 0.0001088500000000 ] - [ -0.0006209400000000, -0.0006199000000000, 0.0002040900000000 ] - [ -0.0013853000000000, -0.0000436900000000, 0.0001693600000000 ] - [ 0.0002309300000000, -0.0022526700000000, 0.0022489000000000 ] - [ -0.0001552100000000, -0.0008264700000000, -0.0009683500000000 ] - [ 0.0005917700000000, 0.0021609300000000, -0.0000569300000000 ] - [ -0.0003210100000000, -0.0006458700000000, 0.0001061800000000 ] - [ -0.0012049000000000, 0.0001145300000000, -0.0007008500000000 ] - [ -0.0020605400000000, -0.0003663700000000, 0.0007993500000000 ] - [ 0.0040864400000000, -0.0022873200000000, -0.0006277100000000 ] - [ 0.0004458300000000, 0.0000836600000000, -0.0002639300000000 ] - [ -0.0007494600000000, -0.0007294600000000, 0.0002827300000000 ] - [ -0.0005886000000000, 0.0002063900000000, 0.0001425400000000 ] - [ -0.0016362700000000, -0.0004882100000000, -0.0007714000000000 ] - [ -0.0004677000000000, 0.0003166100000000, -0.0008255900000000 ] - [ 0.0005383700000000, 0.0024590400000000, -0.0025928400000000 ] - [ 0.0067644100000000, -0.0007703900000000, -0.0033038800000000 ] - [ 0.0008056600000000, 0.0006709300000000, 0.0001753300000000 ] - [ -0.0001116000000000, 0.0000203800000000, -0.0003542900000000 ] - [ 0.0001256600000000, 0.0009791300000000, 0.0005308300000000 ] - [ -0.0004837700000000, -0.0013774500000000, -0.0002091900000000 ] - [ 0.0003701300000000, -0.0016767900000000, 0.0030694900000000 ] - [ 0.0006876900000000, 0.0014997600000000, 0.0033151800000000 ] - [ 0.0045802600000000, -0.0009167800000000, 0.0001337600000000 ] - [ -0.0004376300000000, -0.0000008700000000, 0.0002672600000000 ] - [ -0.0005709800000000, -0.0014691600000000, 0.0009418000000000 ] - [ -0.0003004400000000, -0.0000731700000000, -0.0003876200000000 ] - [ -0.0007311200000000, -0.0002511900000000, 0.0003002200000000 ] - [ 0.0004296100000000, 0.0000159100000000, -0.0002099600000000 ] - [ 0.0050049700000000, 0.0000893500000000, -0.0006558000000000 ] - [ -0.0007494900000000, 0.0002417100000000, -0.0001383800000000 ] - [ -0.0004114200000000, -0.0002466000000000, -0.0005288900000000 ] - [ -0.0004693100000000, 0.0004374700000000, -0.0008447300000000 ] - [ -0.0014831500000000, 0.0008464900000000, 0.0004948000000000 ] - [ 0.0011403400000000, 0.0002496000000000, -0.0000890500000000 ] - [ 0.0005167700000000, -0.0007131000000000, -0.0023474200000000 ] - [ -0.0014022600000000, 0.0000241000000000, 0.0003039000000000 ] - [ -0.0010608200000000, 0.0003452900000000, -0.0004560200000000 ] - [ -0.0013328300000000, -0.0018622700000000, 0.0001172800000000 ] - [ -0.0006173700000000, -0.0006131200000000, 0.0004606700000000 ] - [ 0.0005767200000000, 0.0003140400000000, 0.0005457900000000 ] - [ -0.0003427100000000, 0.0004153600000000, -0.0006602600000000 ] - [ -0.0007537300000000, 0.0003568700000000, -0.0006264200000000 ] - [ 0.0001106500000000, -0.0002386600000000, 0.0002417800000000 ] - [ 0.0053762700000000, -0.0023575800000000, -0.0004830300000000 ] - [ 0.0040968900000000, -0.0031103600000000, 0.0000314500000000 ] - [ -0.0016463800000000, -0.0002338100000000, 0.0002352500000000 ] - [ 0.0006150700000000, -0.0015843200000000, -0.0018948500000000 ] - [ 0.0080173500000000, -0.0022162200000000, 0.0028303100000000 ] - [ -0.0003646700000000, -0.0003091900000000, 0.0002711200000000 ]- atom: 9 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001108700000000, 0.0004006100000000, 0.0000532400000000 ] - [ 0.0000146700000000, -0.0000223200000000, -0.0000041900000000 ] - [ -0.0003436900000000, 0.0006864100000000, -0.0000599600000000 ] - [ 0.0000396400000000, -0.0007588000000000, -0.0000315300000000 ] - [ 0.0001109500000000, 0.0001357900000000, -0.0000544300000000 ] - [ 0.0000967000000000, 0.0000384600000000, 0.0000631600000000 ] - [ 0.0001119700000000, 0.0000354500000000, -0.0000937600000000 ] - [ 0.0000149000000000, -0.0000222400000000, 0.0000047200000000 ] - [ -0.0097291200000000, -0.0250069700000000, 0.0006032600000000 ] - [ 0.0000659900000000, -0.0000220000000000, -0.0004257800000000 ] - [ 0.0000996000000000, -0.0000323600000000, -0.0004260700000000 ] - [ 0.0000643000000000, 0.0000298800000000, 0.0000634800000000 ] - [ -0.0005603700000000, 0.0011799000000000, -0.0000648000000000 ] - [ 0.0000272400000000, -0.0007576000000000, 0.0000308000000000 ] - [ 0.0001123900000000, 0.0003005100000000, 0.0000950300000000 ] - [ -0.0000962600000000, -0.0000188000000000, 0.0004265700000000 ] - [ -0.0005831500000000, -0.0001161600000000, 0.0004043900000000 ] - [ 0.0008408000000000, -0.0001018300000000, -0.0000077200000000 ] - [ -0.0013813400000000, 0.0001354400000000, -0.0019435500000000 ] - [ 0.0005596300000000, 0.0000490500000000, -0.0000505500000000 ] - [ -0.0024328800000000, 0.0002394600000000, 0.0020614400000000 ] - [ -0.0004818400000000, -0.0000690100000000, -0.0000535400000000 ] - [ -0.0002005100000000, 0.0000157500000000, -0.0000974300000000 ] - [ 0.0004580700000000, 0.0000013800000000, -0.0002988000000000 ] - [ 0.0000118400000000, 0.0001045800000000, 0.0000473000000000 ] - [ -0.0011986000000000, 0.0021538100000000, 0.0000838300000000 ] - [ -0.0002891600000000, 0.0178571000000000, 0.0008520700000000 ] - [ 0.0003880000000000, 0.0001692900000000, -0.0008557500000000 ] - [ 0.0000113600000000, 0.0001047200000000, -0.0000461600000000 ] - [ -0.0001904800000000, 0.0000935400000000, 0.0008568700000000 ] - [ 0.0001717500000000, 0.0001103400000000, -0.0008556900000000 ] - [ -0.0012216000000000, 0.0021613200000000, -0.0000824000000000 ] - [ 0.0002124900000000, -0.0006506400000000, -0.0000503800000000 ] - [ 0.0002159300000000, -0.0004623600000000, 0.0000718000000000 ] - [ 0.0071881600000000, -0.0007166700000000, 0.0055609900000000 ] - [ 0.0000746000000000, 0.0002937100000000, -0.0000083800000000 ] - [ 0.0006478000000000, -0.0001601100000000, -0.0000597100000000 ] - [ 0.0003424000000000, -0.0001688900000000, -0.0001354100000000 ] - [ 0.0102216100000000, -0.0011677600000000, 0.0082059200000000 ] - [ 0.0001375000000000, 0.0006240600000000, 0.0001320200000000 ] - [ -0.0001991800000000, -0.0006715500000000, 0.0001654000000000 ] - [ -0.0002733200000000, 0.0006022400000000, -0.0002425900000000 ] - [ -0.0005491900000000, -0.0003141000000000, 0.0004427300000000 ] - [ 0.0000014200000000, -0.0009764300000000, 0.0000878000000000 ] - [ 0.0070648900000000, -0.0018986000000000, -0.0056163500000000 ] - [ 0.0110278600000000, -0.0010640500000000, -0.0077456600000000 ] - [ -0.0004215500000000, -0.0003152800000000, -0.0003749500000000 ] - [ -0.0001185100000000, -0.0000106500000000, -0.0004526100000000 ] - [ -0.0006711800000000, -0.0013040200000000, 0.0005331400000000 ] - [ 0.0000371000000000, -0.0007149700000000, -0.0005308300000000 ] - [ 0.0000259800000000, -0.0000840600000000, 0.0002005400000000 ] - [ -0.0030542500000000, 0.0018239000000000, -0.0013262500000000 ] - [ 0.0001636600000000, 0.0000623900000000, -0.0002277300000000 ] - [ -0.0000203900000000, 0.0000797100000000, -0.0002367200000000 ] - [ -0.0008742200000000, -0.0015597800000000, -0.0004410100000000 ] - [ 0.0001298200000000, -0.0001889200000000, -0.0000182000000000 ] - [ -0.0031048800000000, 0.0016452900000000, 0.0017900000000000 ] - [ 0.0001487600000000, 0.0001028400000000, -0.0000447300000000 ] - [ -0.0000509300000000, -0.0001688500000000, -0.0000367900000000 ] - [ -0.0001637100000000, -0.0004447500000000, 0.0006122000000000 ] - [ 0.0000785000000000, -0.0001082200000000, -0.0002520200000000 ] - [ -0.0000697400000000, 0.0000823500000000, -0.0000638300000000 ] - [ -0.0000590100000000, 0.0000869300000000, 0.0002796300000000 ] - [ 0.0000644600000000, -0.0000913000000000, -0.0002430200000000 ] - [ -0.0003942200000000, 0.0002863900000000, 0.0000090800000000 ] - [ -0.0012293200000000, -0.0005098700000000, 0.0004262200000000 ] - [ -0.0006094700000000, 0.0009419100000000, 0.0004078100000000 ] - [ 0.0026553600000000, -0.0040090800000000, -0.0000532500000000 ] - [ 0.0002053800000000, -0.0004080700000000, -0.0003329600000000 ] - [ 0.0002339500000000, 0.0004112600000000, -0.0002709400000000 ] - [ 0.0000130700000000, 0.0006526700000000, 0.0001427500000000 ] - [ -0.0016201200000000, 0.0013786400000000, -0.0001870500000000 ] - [ 0.0004639500000000, -0.0001942200000000, -0.0001124300000000 ] - [ -0.0001593200000000, -0.0003159600000000, 0.0001488400000000 ] - [ -0.0001092100000000, -0.0004108000000000, -0.0004183400000000 ] - [ 0.0000770500000000, 0.0000351600000000, 0.0002466700000000 ] - [ 0.0000240600000000, -0.0004076900000000, 0.0001232500000000 ] - [ -0.0001485300000000, 0.0005592700000000, 0.0001689900000000 ] - [ -0.0004373000000000, -0.0000123300000000, -0.0001420600000000 ] - [ -0.0000754600000000, 0.0001267600000000, -0.0002479300000000 ] - [ 0.0004124100000000, -0.0003451800000000, -0.0001000200000000 ] - [ -0.0003424100000000, -0.0000175100000000, -0.0001996900000000 ] - [ -0.0000768600000000, -0.0000626200000000, 0.0002306200000000 ] - [ 0.0001252000000000, -0.0000342300000000, -0.0004359600000000 ] - [ 0.0004303400000000, 0.0007775100000000, 0.0004141500000000 ] - [ 0.0000229700000000, 0.0003192300000000, 0.0004535600000000 ] - [ -0.0000795900000000, -0.0003525400000000, 0.0002811900000000 ] - [ 0.0003499400000000, -0.0005538200000000, 0.0003847900000000 ] - [ -0.0003482800000000, -0.0002046100000000, 0.0001970500000000 ] - [ -0.0012949100000000, 0.0000524800000000, 0.0020400100000000 ] - [ -0.0004208000000000, -0.0005625600000000, -0.0003816600000000 ] - [ 0.0026032200000000, -0.0039236300000000, -0.0004195900000000 ] - [ -0.0000152400000000, -0.0004663700000000, -0.0003016900000000 ] - [ 0.0007796400000000, 0.0002916800000000, 0.0003026600000000 ] - [ -0.0000735600000000, -0.0001850600000000, -0.0002037600000000 ] - [ -0.0022550200000000, -0.0021870700000000, -0.0035124700000000 ] - [ 0.0000757300000000, -0.0000003500000000, -0.0002530300000000 ] - [ -0.0005304000000000, -0.0007198100000000, 0.0003782800000000 ] - [ -0.0000897800000000, 0.0003689500000000, 0.0002723400000000 ] - [ 0.0003222400000000, -0.0001698100000000, -0.0000461500000000 ] - [ -0.0001626000000000, 0.0004974800000000, -0.0004160800000000 ] - [ 0.0003270500000000, 0.0011106900000000, 0.0001811000000000 ] - [ -0.0007304600000000, 0.0038471000000000, -0.0003350600000000 ] - [ 0.0005398300000000, 0.0009341500000000, -0.0004112600000000 ] - [ 0.0000696000000000, -0.0002186600000000, 0.0002913100000000 ] - [ -0.0000479300000000, 0.0009330300000000, 0.0001436300000000 ] - [ -0.0015316600000000, -0.0002220000000000, 0.0001259300000000 ] - [ -0.0006211600000000, 0.0002460100000000, 0.0015758800000000 ] - [ 0.0004742000000000, 0.0001388000000000, 0.0005321100000000 ] - [ -0.0007195700000000, 0.0038968100000000, -0.0010911000000000 ] - [ -0.0000593000000000, 0.0000057200000000, 0.0002438200000000 ] - [ -0.0012304500000000, -0.0002734500000000, 0.0001078200000000 ] - [ -0.0000816700000000, -0.0001276200000000, -0.0002911300000000 ] - [ -0.0002003100000000, -0.0003180200000000, -0.0002424600000000 ] - [ 0.0000583500000000, -0.0000685300000000, -0.0002213800000000 ] - [ -0.0005720400000000, 0.0048843800000000, 0.0008202300000000 ] - [ -0.0005529800000000, 0.0002374500000000, -0.0000496600000000 ] - [ 0.0001257200000000, -0.0000759500000000, -0.0003125000000000 ] - [ 0.0000384100000000, 0.0005543600000000, -0.0002976900000000 ] - [ -0.0001069200000000, 0.0004674900000000, 0.0003220300000000 ] - [ 0.0004327700000000, 0.0000365000000000, 0.0002438300000000 ] - [ -0.0004791100000000, 0.0012258600000000, -0.0008582400000000 ] - [ -0.0003645200000000, -0.0001364700000000, 0.0002773200000000 ] - [ 0.0002212700000000, 0.0000467200000000, -0.0002555800000000 ] - [ -0.0023948000000000, -0.0006892900000000, -0.0002190300000000 ] - [ -0.0001176100000000, -0.0004499300000000, 0.0003304100000000 ] - [ -0.0001308200000000, 0.0000997900000000, 0.0002100000000000 ] - [ 0.0001873000000000, 0.0003480900000000, -0.0001141600000000 ] - [ -0.0003692300000000, 0.0003453700000000, -0.0003230800000000 ] - [ 0.0003055300000000, -0.0002429800000000, 0.0001524500000000 ] - [ -0.0009612500000000, 0.0017800600000000, 0.0004966200000000 ] - [ -0.0022087400000000, -0.0030432200000000, 0.0028873700000000 ] - [ 0.0003107300000000, 0.0000812600000000, -0.0004895400000000 ] - [ -0.0009028700000000, 0.0007117000000000, -0.0016819400000000 ] - [ 0.0001965600000000, 0.0023733000000000, -0.0004780800000000 ] - [ 0.0000194200000000, -0.0003209100000000, -0.0000321700000000 ]- atom: 9 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0006141100000000, 0.0001689500000000, 0.0001090100000000 ] - [ -0.0000351500000000, -0.0000002500000000, 0.0006144600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010360400000000 ] - [ -0.0004110400000000, 0.0000056400000000, -0.0020293200000000 ] - [ -0.0006141100000000, -0.0001689500000000, 0.0001090100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000610400000000 ] - [ -0.0005328300000000, -0.0003015700000000, 0.0003486800000000 ] - [ 0.0000351500000000, 0.0000002500000000, 0.0006144600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0370461100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001009400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008744400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001304800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007302400000000 ] - [ 0.0004110400000000, -0.0000056400000000, -0.0020293200000000 ] - [ 0.0005328300000000, 0.0003015700000000, 0.0003486800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013481500000000 ] - [ -0.0003254600000000, 0.0000217700000000, 0.0009843100000000 ] - [ 0.0009431800000000, -0.0000114700000000, -0.0003165700000000 ] - [ 0.0030144200000000, -0.0023058500000000, 0.0009813900000000 ] - [ 0.0004063800000000, 0.0000777300000000, 0.0002252500000000 ] - [ -0.0030144200000000, 0.0023058500000000, 0.0009813900000000 ] - [ -0.0004063800000000, -0.0000777300000000, 0.0002252500000000 ] - [ -0.0009431800000000, 0.0000114700000000, -0.0003165700000000 ] - [ 0.0003254600000000, -0.0000217700000000, 0.0009843100000000 ] - [ 0.0000886000000000, -0.0000334300000000, 0.0017093600000000 ] - [ 0.0002270500000000, -0.0000221300000000, -0.0036799400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0104627900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0019814600000000 ] - [ -0.0000886000000000, 0.0000334300000000, 0.0017093600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0034255900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000388600000000 ] - [ -0.0002270500000000, 0.0000221300000000, -0.0036799400000000 ] - [ -0.0002657900000000, -0.0006562500000000, 0.0009030000000000 ] - [ 0.0007458600000000, -0.0005032800000000, 0.0029115100000000 ] - [ 0.0080647100000000, 0.0086804700000000, 0.0058529700000000 ] - [ 0.0007996400000000, 0.0004724100000000, -0.0005071300000000 ] - [ 0.0008649300000000, -0.0000222400000000, 0.0004319500000000 ] - [ -0.0006124800000000, 0.0003035500000000, -0.0003676300000000 ] - [ 0.0083692500000000, 0.0097274100000000, 0.0022547600000000 ] - [ 0.0002657900000000, 0.0006562500000000, 0.0009030000000000 ] - [ -0.0004644200000000, -0.0003975100000000, 0.0036034900000000 ] - [ 0.0004644200000000, 0.0003975100000000, 0.0036034900000000 ] - [ -0.0007458600000000, 0.0005032800000000, 0.0029115100000000 ] - [ -0.0007996400000000, -0.0004724100000000, -0.0005071300000000 ] - [ -0.0080647100000000, -0.0086804700000000, 0.0058529700000000 ] - [ -0.0083692500000000, -0.0097274100000000, 0.0022547600000000 ] - [ 0.0006124800000000, -0.0003035500000000, -0.0003676300000000 ] - [ -0.0008649300000000, 0.0000222400000000, 0.0004319500000000 ] - [ 0.0012527600000000, -0.0022253600000000, 0.0031817200000000 ] - [ -0.0000571700000000, 0.0009943800000000, 0.0016471400000000 ] - [ -0.0000106900000000, -0.0001170700000000, 0.0005755200000000 ] - [ 0.0011943600000000, -0.0008248500000000, -0.0010475400000000 ] - [ 0.0002763600000000, 0.0000744900000000, -0.0004145100000000 ] - [ 0.0000299700000000, 0.0000909400000000, -0.0001260900000000 ] - [ -0.0012527600000000, 0.0022253600000000, 0.0031817200000000 ] - [ 0.0000038800000000, -0.0001790600000000, 0.0000553300000000 ] - [ -0.0011943600000000, 0.0008248500000000, -0.0010475400000000 ] - [ 0.0002440700000000, 0.0002372000000000, 0.0001121600000000 ] - [ -0.0002440700000000, -0.0002372000000000, 0.0001121600000000 ] - [ 0.0000571700000000, -0.0009943800000000, 0.0016471400000000 ] - [ -0.0002763600000000, -0.0000744900000000, -0.0004145100000000 ] - [ -0.0000038800000000, 0.0001790600000000, 0.0000553300000000 ] - [ 0.0000106900000000, 0.0001170700000000, 0.0005755200000000 ] - [ -0.0000299700000000, -0.0000909400000000, -0.0001260900000000 ] - [ -0.0010695500000000, 0.0006393500000000, -0.0012444800000000 ] - [ -0.0028103200000000, -0.0027287100000000, 0.0016696600000000 ] - [ -0.0001696300000000, 0.0007342000000000, 0.0008227500000000 ] - [ -0.0000876900000000, -0.0007863200000000, 0.0026490900000000 ] - [ -0.0002672800000000, -0.0007581200000000, -0.0017056700000000 ] - [ 0.0002672800000000, 0.0007581200000000, -0.0017056700000000 ] - [ 0.0005070500000000, 0.0004434600000000, 0.0001945400000000 ] - [ -0.0002395600000000, -0.0014952300000000, 0.0042656700000000 ] - [ 0.0010695500000000, -0.0006393500000000, -0.0012444800000000 ] - [ -0.0005070500000000, -0.0004434600000000, 0.0001945400000000 ] - [ 0.0001573100000000, -0.0004704000000000, -0.0001669900000000 ] - [ 0.0007872000000000, -0.0003942100000000, -0.0010280000000000 ] - [ -0.0000660800000000, -0.0004940300000000, -0.0001038400000000 ] - [ 0.0000660800000000, 0.0004940300000000, -0.0001038400000000 ] - [ -0.0000295600000000, 0.0001679900000000, -0.0006509300000000 ] - [ 0.0000951900000000, 0.0001898400000000, -0.0008259100000000 ] - [ 0.0006623500000000, -0.0003547900000000, -0.0015295700000000 ] - [ -0.0006705600000000, 0.0001724000000000, 0.0002040500000000 ] - [ -0.0000669000000000, -0.0000582600000000, -0.0001953100000000 ] - [ -0.0000694300000000, 0.0001100500000000, -0.0015152100000000 ] - [ 0.0005615400000000, 0.0006656900000000, 0.0000305800000000 ] - [ -0.0006623500000000, 0.0003547900000000, -0.0015295700000000 ] - [ 0.0003031200000000, -0.0006143700000000, 0.0007380400000000 ] - [ 0.0001696300000000, -0.0007342000000000, 0.0008227500000000 ] - [ -0.0001084600000000, -0.0000004300000000, 0.0010270400000000 ] - [ 0.0005748400000000, 0.0009938900000000, -0.0010210700000000 ] - [ -0.0006388200000000, -0.0009698300000000, -0.0015738300000000 ] - [ 0.0000876900000000, 0.0007863200000000, 0.0026490900000000 ] - [ 0.0002830700000000, -0.0004503900000000, -0.0008552300000000 ] - [ -0.0002850900000000, 0.0003453300000000, 0.0005309900000000 ] - [ 0.0002850900000000, -0.0003453300000000, 0.0005309900000000 ] - [ -0.0014153700000000, -0.0031954600000000, 0.0003479100000000 ] - [ -0.0000029700000000, 0.0000024600000000, -0.0010507900000000 ] - [ -0.0005615400000000, -0.0006656900000000, 0.0000305800000000 ] - [ -0.0001672900000000, 0.0002693300000000, -0.0001171000000000 ] - [ -0.0003929000000000, -0.0001111100000000, 0.0003594400000000 ] - [ -0.0002830700000000, 0.0004503900000000, -0.0008552300000000 ] - [ -0.0005560000000000, 0.0017785500000000, -0.0026478700000000 ] - [ -0.0040821000000000, 0.0013803400000000, 0.0059615600000000 ] - [ 0.0006388200000000, 0.0009698300000000, -0.0015738300000000 ] - [ -0.0007872000000000, 0.0003942100000000, -0.0010280000000000 ] - [ 0.0000694300000000, -0.0001100500000000, -0.0015152100000000 ] - [ -0.0021528700000000, -0.0017919300000000, 0.0023798700000000 ] - [ 0.0006091000000000, -0.0001021500000000, -0.0021644400000000 ] - [ 0.0005560000000000, -0.0017785500000000, -0.0026478700000000 ] - [ 0.0007295100000000, -0.0009873000000000, 0.0033421400000000 ] - [ 0.0000669000000000, 0.0000582600000000, -0.0001953100000000 ] - [ 0.0028103200000000, 0.0027287100000000, 0.0016696600000000 ] - [ -0.0000951900000000, -0.0001898400000000, -0.0008259100000000 ] - [ 0.0000507200000000, -0.0003389900000000, -0.0002428700000000 ] - [ 0.0000029700000000, -0.0000024600000000, -0.0010507900000000 ] - [ -0.0007295100000000, 0.0009873000000000, 0.0033421400000000 ] - [ -0.0006397400000000, 0.0001877400000000, -0.0004766400000000 ] - [ 0.0000295600000000, -0.0001679900000000, -0.0006509300000000 ] - [ -0.0001573100000000, 0.0004704000000000, -0.0001669900000000 ] - [ -0.0003031200000000, 0.0006143700000000, 0.0007380400000000 ] - [ 0.0006151900000000, 0.0003074800000000, -0.0010724900000000 ] - [ -0.0006091000000000, 0.0001021500000000, -0.0021644400000000 ] - [ 0.0001084600000000, 0.0000004300000000, 0.0010270400000000 ] - [ 0.0006705600000000, -0.0001724000000000, 0.0002040500000000 ] - [ 0.0021528700000000, 0.0017919300000000, 0.0023798700000000 ] - [ 0.0001672900000000, -0.0002693300000000, -0.0001171000000000 ] - [ -0.0006151900000000, -0.0003074800000000, -0.0010724900000000 ] - [ -0.0000507200000000, 0.0003389900000000, -0.0002428700000000 ] - [ -0.0004969700000000, 0.0003647400000000, -0.0005006900000000 ] - [ 0.0006397400000000, -0.0001877400000000, -0.0004766400000000 ] - [ 0.0002395600000000, 0.0014952300000000, 0.0042656700000000 ] - [ 0.0014153700000000, 0.0031954600000000, 0.0003479100000000 ] - [ 0.0003929000000000, 0.0001111100000000, 0.0003594400000000 ] - [ -0.0005748400000000, -0.0009938900000000, -0.0010210700000000 ] - [ 0.0040821000000000, -0.0013803400000000, 0.0059615600000000 ] - [ 0.0004969700000000, -0.0003647400000000, -0.0005006900000000 ]- atom: 9 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0006148500000000, 0.0000993200000000, -0.0001069100000000 ] - [ 0.0000361800000000, 0.0000005300000000, -0.0006140900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011614600000000 ] - [ 0.0004223800000000, -0.0000055700000000, 0.0020278500000000 ] - [ 0.0006148500000000, -0.0000993200000000, -0.0001069100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000673700000000 ] - [ 0.0005316400000000, 0.0000347400000000, -0.0003494600000000 ] - [ -0.0000361800000000, -0.0000005300000000, -0.0006140900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0376609700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007528300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000201600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000033000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008540700000000 ] - [ -0.0004223800000000, 0.0000055700000000, 0.0020278500000000 ] - [ -0.0005316400000000, -0.0000347400000000, -0.0003494600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004866300000000 ] - [ -0.0007172000000000, -0.0001428700000000, -0.0008797600000000 ] - [ 0.0000989500000000, -0.0001089000000000, 0.0002139000000000 ] - [ -0.0019521700000000, 0.0021721100000000, -0.0008786100000000 ] - [ 0.0006341000000000, 0.0000425100000000, -0.0003289500000000 ] - [ 0.0019521700000000, -0.0021721100000000, -0.0008786100000000 ] - [ -0.0006341000000000, -0.0000425100000000, -0.0003289500000000 ] - [ -0.0000989500000000, 0.0001089000000000, 0.0002139000000000 ] - [ 0.0007172000000000, 0.0001428700000000, -0.0008797600000000 ] - [ -0.0000910700000000, 0.0000350500000000, -0.0017089300000000 ] - [ -0.0002351500000000, 0.0000232500000000, 0.0036756600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0121451000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002678200000000 ] - [ 0.0000910700000000, -0.0000350500000000, -0.0017089300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0017118200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0017521300000000 ] - [ 0.0002351500000000, -0.0000232500000000, 0.0036756600000000 ] - [ 0.0003367300000000, -0.0006132100000000, -0.0008241000000000 ] - [ 0.0000242800000000, 0.0003543000000000, -0.0024014200000000 ] - [ -0.0079060700000000, -0.0073937600000000, -0.0059153800000000 ] - [ -0.0007256100000000, 0.0007974800000000, 0.0005912000000000 ] - [ -0.0000976400000000, -0.0001267400000000, -0.0009351100000000 ] - [ 0.0013808100000000, -0.0001552100000000, -0.0001414500000000 ] - [ -0.0091878900000000, -0.0099218300000000, -0.0017240600000000 ] - [ -0.0003367300000000, 0.0006132100000000, -0.0008241000000000 ] - [ 0.0005394500000000, -0.0008742400000000, -0.0036915400000000 ] - [ -0.0005394500000000, 0.0008742400000000, -0.0036915400000000 ] - [ -0.0000242800000000, -0.0003543000000000, -0.0024014200000000 ] - [ 0.0007256100000000, -0.0007974800000000, 0.0005912000000000 ] - [ 0.0079060700000000, 0.0073937600000000, -0.0059153800000000 ] - [ 0.0091878900000000, 0.0099218300000000, -0.0017240600000000 ] - [ -0.0013808100000000, 0.0001552100000000, -0.0001414500000000 ] - [ 0.0000976400000000, 0.0001267400000000, -0.0009351100000000 ] - [ -0.0010754200000000, 0.0024937700000000, -0.0031064900000000 ] - [ 0.0002555700000000, -0.0012667800000000, -0.0015650900000000 ] - [ 0.0000952200000000, -0.0000564000000000, -0.0000924200000000 ] - [ -0.0010993800000000, 0.0009887900000000, 0.0015448100000000 ] - [ -0.0001915200000000, 0.0000988200000000, -0.0000685300000000 ] - [ -0.0001150900000000, 0.0000829500000000, -0.0003572100000000 ] - [ 0.0010754200000000, -0.0024937700000000, -0.0031064900000000 ] - [ 0.0001961700000000, -0.0000936700000000, -0.0001356700000000 ] - [ 0.0010993800000000, -0.0009887900000000, 0.0015448100000000 ] - [ -0.0000442700000000, 0.0000336300000000, -0.0001951000000000 ] - [ 0.0000442700000000, -0.0000336300000000, -0.0001951000000000 ] - [ -0.0002555700000000, 0.0012667800000000, -0.0015650900000000 ] - [ 0.0001915200000000, -0.0000988200000000, -0.0000685300000000 ] - [ -0.0001961700000000, 0.0000936700000000, -0.0001356700000000 ] - [ -0.0000952200000000, 0.0000564000000000, -0.0000924200000000 ] - [ 0.0001150900000000, -0.0000829500000000, -0.0003572100000000 ] - [ 0.0002078000000000, -0.0001560300000000, 0.0011389100000000 ] - [ 0.0028061900000000, 0.0024688300000000, -0.0011241900000000 ] - [ -0.0007906500000000, 0.0007490000000000, -0.0000361200000000 ] - [ 0.0000981600000000, 0.0007242700000000, -0.0031201900000000 ] - [ 0.0002438600000000, -0.0000564100000000, 0.0011067700000000 ] - [ -0.0002438600000000, 0.0000564100000000, 0.0011067700000000 ] - [ -0.0003344900000000, 0.0005304800000000, 0.0000942400000000 ] - [ -0.0003545800000000, 0.0013969600000000, -0.0038510100000000 ] - [ -0.0002078000000000, 0.0001560300000000, 0.0011389100000000 ] - [ 0.0003344900000000, -0.0005304800000000, 0.0000942400000000 ] - [ -0.0003054300000000, -0.0004969900000000, -0.0005430800000000 ] - [ -0.0007867800000000, 0.0006545500000000, 0.0015734000000000 ] - [ 0.0002394300000000, -0.0004801000000000, 0.0003907400000000 ] - [ -0.0002394300000000, 0.0004801000000000, 0.0003907400000000 ] - [ -0.0005344000000000, -0.0001075600000000, 0.0001992400000000 ] - [ -0.0000909300000000, 0.0000679200000000, 0.0002835600000000 ] - [ -0.0002697800000000, -0.0003153400000000, 0.0018949400000000 ] - [ 0.0001060900000000, -0.0002324500000000, -0.0006545700000000 ] - [ 0.0000512300000000, -0.0000154600000000, 0.0006736500000000 ] - [ 0.0002415000000000, -0.0010846900000000, 0.0012271500000000 ] - [ 0.0004009500000000, 0.0008178800000000, 0.0007573000000000 ] - [ 0.0002697800000000, 0.0003153400000000, 0.0018949400000000 ] - [ -0.0002802400000000, -0.0002011600000000, -0.0001382900000000 ] - [ 0.0007906500000000, -0.0007490000000000, -0.0000361200000000 ] - [ 0.0001260100000000, -0.0000725600000000, -0.0005494100000000 ] - [ -0.0009672700000000, -0.0016631200000000, 0.0013771600000000 ] - [ -0.0003213400000000, -0.0005130600000000, 0.0007886800000000 ] - [ -0.0000981600000000, -0.0007242700000000, -0.0031201900000000 ] - [ -0.0001348900000000, -0.0005177100000000, 0.0001495000000000 ] - [ 0.0011463900000000, 0.0001379200000000, -0.0004236300000000 ] - [ -0.0011463900000000, -0.0001379200000000, -0.0004236300000000 ] - [ 0.0013895500000000, 0.0039974000000000, -0.0009237500000000 ] - [ 0.0000210200000000, 0.0000702800000000, 0.0005743500000000 ] - [ -0.0004009500000000, -0.0008178800000000, 0.0007573000000000 ] - [ 0.0001896800000000, 0.0005459500000000, 0.0007181800000000 ] - [ 0.0003936900000000, -0.0001483600000000, -0.0009047800000000 ] - [ 0.0001348900000000, 0.0005177100000000, 0.0001495000000000 ] - [ 0.0004136100000000, -0.0008103400000000, 0.0033587500000000 ] - [ 0.0028288300000000, 0.0000503400000000, -0.0064913600000000 ] - [ 0.0003213400000000, 0.0005130600000000, 0.0007886800000000 ] - [ 0.0007867800000000, -0.0006545500000000, 0.0015734000000000 ] - [ -0.0002415000000000, 0.0010846900000000, 0.0012271500000000 ] - [ 0.0030113200000000, 0.0022778000000000, -0.0024880500000000 ] - [ -0.0007491600000000, -0.0008689000000000, 0.0028787700000000 ] - [ -0.0004136100000000, 0.0008103400000000, 0.0033587500000000 ] - [ -0.0011021900000000, -0.0000188600000000, -0.0038023500000000 ] - [ -0.0000512300000000, 0.0000154600000000, 0.0006736500000000 ] - [ -0.0028061900000000, -0.0024688300000000, -0.0011241900000000 ] - [ 0.0000909300000000, -0.0000679200000000, 0.0002835600000000 ] - [ -0.0004400500000000, -0.0003293500000000, -0.0001222400000000 ] - [ -0.0000210200000000, -0.0000702800000000, 0.0005743500000000 ] - [ 0.0011021900000000, 0.0000188600000000, -0.0038023500000000 ] - [ -0.0002193400000000, 0.0002943300000000, 0.0005809800000000 ] - [ 0.0005344000000000, 0.0001075600000000, 0.0001992400000000 ] - [ 0.0003054300000000, 0.0004969900000000, -0.0005430800000000 ] - [ 0.0002802400000000, 0.0002011600000000, -0.0001382900000000 ] - [ -0.0000510900000000, -0.0003675100000000, 0.0015232600000000 ] - [ 0.0007491600000000, 0.0008689000000000, 0.0028787700000000 ] - [ -0.0001260100000000, 0.0000725600000000, -0.0005494100000000 ] - [ -0.0001060900000000, 0.0002324500000000, -0.0006545700000000 ] - [ -0.0030113200000000, -0.0022778000000000, -0.0024880500000000 ] - [ -0.0001896800000000, -0.0005459500000000, 0.0007181800000000 ] - [ 0.0000510900000000, 0.0003675100000000, 0.0015232600000000 ] - [ 0.0004400500000000, 0.0003293500000000, -0.0001222400000000 ] - [ 0.0001070100000000, 0.0003042200000000, 0.0001307800000000 ] - [ 0.0002193400000000, -0.0002943300000000, 0.0005809800000000 ] - [ 0.0003545800000000, -0.0013969600000000, -0.0038510100000000 ] - [ -0.0013895500000000, -0.0039974000000000, -0.0009237500000000 ] - [ -0.0003936900000000, 0.0001483600000000, -0.0009047800000000 ] - [ 0.0009672700000000, 0.0016631200000000, 0.0013771600000000 ] - [ -0.0028288300000000, -0.0000503400000000, -0.0064913600000000 ] - [ -0.0001070100000000, -0.0003042200000000, 0.0001307800000000 ]- atom: 17 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0002693400000000, 0.0022585900000000, -0.0021863400000000 ] - [ 0.0009488400000000, 0.0002516600000000, -0.0004290500000000 ] - [ -0.0003215000000000, -0.0000963800000000, -0.0003146600000000 ] - [ -0.0002812500000000, 0.0000447700000000, -0.0001417000000000 ] - [ 0.0009489700000000, -0.0004594800000000, 0.0004714300000000 ] - [ 0.0009636100000000, 0.0003376800000000, -0.0003141000000000 ] - [ -0.0003262900000000, -0.0000418200000000, 0.0002304400000000 ] - [ 0.0003379900000000, -0.0030014800000000, 0.0032213600000000 ] - [ -0.0003390700000000, -0.0000631800000000, 0.0006210300000000 ] - [ 0.0009958800000000, -0.0003194800000000, -0.0000056000000000 ] - [ 0.0002650400000000, 0.0000389100000000, -0.0005395400000000 ] - [ 0.0002804100000000, 0.0000744900000000, 0.0002155800000000 ] - [ 0.0001259300000000, -0.0024270200000000, 0.0029209900000000 ] - [ 0.0003034100000000, -0.0000538600000000, 0.0001594100000000 ] - [ 0.0003031900000000, 0.0000632000000000, -0.0001424200000000 ] - [ -0.0000896400000000, 0.0019140600000000, -0.0020640300000000 ] - [ -0.0108333400000000, -0.0010860000000000, 0.0002528300000000 ] - [ 0.0005898900000000, -0.0001038800000000, -0.0011436300000000 ] - [ 0.0005181900000000, -0.0000560900000000, -0.0000962100000000 ] - [ 0.0005367900000000, -0.0000003500000000, 0.0004214800000000 ] - [ -0.0007747600000000, 0.0000598700000000, 0.0000370600000000 ] - [ 0.0001484700000000, -0.0000616900000000, -0.0000580400000000 ] - [ -0.0000255500000000, 0.0000598000000000, -0.0000516000000000 ] - [ 0.0009767700000000, 0.0003268700000000, 0.0002296200000000 ] - [ -0.0022631500000000, 0.0069259300000000, 0.0076207400000000 ] - [ 0.0007098400000000, 0.0002726600000000, 0.0003339400000000 ] - [ -0.0007583100000000, 0.0003534300000000, 0.0012056700000000 ] - [ 0.0006707200000000, -0.0002195900000000, -0.0012890500000000 ] - [ 0.0028109300000000, -0.0012373300000000, -0.0015450000000000 ] - [ -0.0020539200000000, -0.0062687400000000, -0.0068608600000000 ] - [ 0.0028522000000000, 0.0013096600000000, 0.0006323400000000 ] - [ -0.0007055600000000, -0.0002561800000000, -0.0004847700000000 ] - [ 0.0012649000000000, -0.0008010800000000, 0.0018914000000000 ] - [ 0.0016905800000000, 0.0003471300000000, -0.0013795000000000 ] - [ 0.0000135400000000, 0.0007637600000000, -0.0004220200000000 ] - [ 0.0002401300000000, 0.0003774700000000, -0.0020198600000000 ] - [ 0.0142664800000000, -0.0038391300000000, -0.0061857500000000 ] - [ 0.0003640700000000, -0.0000703200000000, 0.0000044600000000 ] - [ -0.0022567100000000, -0.0002441400000000, -0.0001237400000000 ] - [ 0.0016987700000000, 0.0006110400000000, 0.0000580800000000 ] - [ 0.0137302400000000, 0.0046174100000000, 0.0040484900000000 ] - [ -0.0071574600000000, 0.0012914200000000, 0.0002130300000000 ] - [ -0.0026116700000000, 0.0000269800000000, 0.0002132600000000 ] - [ 0.0016023100000000, -0.0006639600000000, -0.0000004800000000 ] - [ -0.0008104200000000, -0.0006556500000000, -0.0001109400000000 ] - [ 0.0005559000000000, 0.0008678400000000, 0.0019745200000000 ] - [ 0.0004273500000000, -0.0000726600000000, -0.0002878100000000 ] - [ 0.0026185000000000, 0.0000880400000000, -0.0002009900000000 ] - [ -0.0004140700000000, -0.0000350000000000, 0.0002588600000000 ] - [ -0.0000636100000000, -0.0001240100000000, 0.0000379000000000 ] - [ -0.0006000300000000, -0.0000952900000000, 0.0002188400000000 ] - [ -0.0001959200000000, 0.0000848100000000, 0.0002452800000000 ] - [ 0.0001527600000000, 0.0000844100000000, -0.0002401700000000 ] - [ 0.0001007000000000, 0.0000590500000000, -0.0001717900000000 ] - [ 0.0000489300000000, 0.0016996700000000, 0.0021100700000000 ] - [ 0.0005017000000000, -0.0002055200000000, 0.0000201400000000 ] - [ -0.0000486400000000, -0.0001479700000000, 0.0004723100000000 ] - [ 0.0001639600000000, 0.0001555200000000, -0.0000234700000000 ] - [ -0.0001412900000000, -0.0004563200000000, 0.0003507500000000 ] - [ -0.0001360700000000, 0.0006071300000000, -0.0004686800000000 ] - [ -0.0000452600000000, -0.0000662700000000, -0.0002398300000000 ] - [ 0.0000905700000000, -0.0016861000000000, -0.0018576200000000 ] - [ -0.0001594500000000, 0.0002137300000000, 0.0000052900000000 ] - [ 0.0009455400000000, -0.0000722800000000, -0.0002336100000000 ] - [ -0.0011228900000000, 0.0002397300000000, 0.0005650700000000 ] - [ -0.0002003700000000, -0.0002080900000000, 0.0003074500000000 ] - [ -0.0009564900000000, 0.0007831600000000, 0.0004100400000000 ] - [ 0.0006007700000000, -0.0000463900000000, -0.0002219900000000 ] - [ -0.0079950000000000, 0.0008670900000000, 0.0010692700000000 ] - [ 0.0032617400000000, 0.0035067300000000, -0.0005457200000000 ] - [ 0.0001054000000000, 0.0006855500000000, -0.0000648800000000 ] - [ 0.0011131000000000, -0.0002585000000000, 0.0010193900000000 ] - [ 0.0018379700000000, -0.0004168700000000, -0.0006940800000000 ] - [ -0.0003155500000000, -0.0005002700000000, 0.0001439900000000 ] - [ -0.0008921300000000, -0.0004389700000000, -0.0003606000000000 ] - [ -0.0052674800000000, 0.0010258900000000, 0.0009053800000000 ] - [ -0.0021156000000000, 0.0024903200000000, 0.0014133800000000 ] - [ -0.0011502000000000, 0.0005207300000000, 0.0000987500000000 ] - [ -0.0020565000000000, -0.0005177900000000, 0.0001378300000000 ] - [ -0.0000962300000000, 0.0000564100000000, -0.0022234000000000 ] - [ 0.0007070200000000, -0.0003366100000000, 0.0002033900000000 ] - [ -0.0007360700000000, 0.0000694700000000, -0.0000701000000000 ] - [ -0.0008383100000000, -0.0012307000000000, -0.0007850800000000 ] - [ -0.0001159400000000, -0.0008040400000000, 0.0005399900000000 ] - [ 0.0001478700000000, 0.0008140200000000, -0.0004410000000000 ] - [ -0.0004502800000000, 0.0004415600000000, 0.0010560000000000 ] - [ -0.0008798500000000, -0.0001940600000000, 0.0004451200000000 ] - [ 0.0004164100000000, -0.0006991900000000, 0.0010489300000000 ] - [ -0.0005297500000000, -0.0000395700000000, 0.0002461400000000 ] - [ -0.0004781700000000, -0.0001165800000000, -0.0009266400000000 ] - [ 0.0043863100000000, 0.0005176800000000, -0.0007539500000000 ] - [ 0.0000116400000000, -0.0000332800000000, -0.0004141500000000 ] - [ -0.0000757200000000, -0.0003493500000000, -0.0013074600000000 ] - [ -0.0000270000000000, 0.0001551900000000, -0.0000583000000000 ] - [ -0.0001901000000000, -0.0001674500000000, 0.0000688600000000 ] - [ 0.0002248900000000, 0.0003235800000000, -0.0002674700000000 ] - [ 0.0066233200000000, 0.0000508900000000, -0.0002183900000000 ] - [ -0.0011634500000000, -0.0007505700000000, 0.0003896300000000 ] - [ -0.0010929200000000, 0.0000753700000000, -0.0000915100000000 ] - [ 0.0004853600000000, 0.0000963600000000, 0.0004485200000000 ] - [ -0.0004196500000000, 0.0004746600000000, -0.0003809100000000 ] - [ 0.0013635200000000, 0.0004117000000000, 0.0000610800000000 ] - [ -0.0002177400000000, 0.0007420700000000, -0.0003754900000000 ] - [ -0.0018341100000000, -0.0018804600000000, -0.0002299000000000 ] - [ 0.0037455900000000, -0.0038660800000000, 0.0005044400000000 ] - [ 0.0007035800000000, 0.0004835900000000, -0.0001342300000000 ] - [ 0.0015678700000000, 0.0003969600000000, -0.0004887600000000 ] - [ 0.0002643300000000, -0.0004870500000000, 0.0004033000000000 ] - [ -0.0018972500000000, -0.0018175900000000, -0.0029200600000000 ] - [ 0.0005676400000000, -0.0002380800000000, -0.0001199300000000 ] - [ -0.0019580000000000, 0.0000157800000000, 0.0002358600000000 ] - [ 0.0004334100000000, 0.0002763100000000, 0.0003716800000000 ] - [ -0.0011115300000000, 0.0002347100000000, 0.0000984700000000 ] - [ -0.0001864200000000, -0.0003452900000000, -0.0004419600000000 ] - [ -0.0005481500000000, 0.0007654500000000, 0.0008202700000000 ] - [ -0.0000248800000000, -0.0006221300000000, -0.0015775800000000 ] - [ -0.0078009700000000, -0.0012000200000000, -0.0005697700000000 ] - [ -0.0049327600000000, -0.0008775500000000, -0.0009975500000000 ] - [ -0.0001411700000000, 0.0013253400000000, 0.0015647000000000 ] - [ -0.0006177900000000, 0.0006892800000000, 0.0009320700000000 ] - [ -0.0000098400000000, -0.0001122300000000, 0.0023258500000000 ] - [ 0.0000912500000000, 0.0002291900000000, 0.0008470200000000 ] - [ 0.0000014400000000, 0.0000697700000000, 0.0004409800000000 ] - [ 0.0000747000000000, 0.0001092600000000, -0.0002285100000000 ] - [ -0.0011161300000000, -0.0006327600000000, -0.0006811400000000 ] - [ -0.0007206700000000, -0.0005130300000000, -0.0002710800000000 ] - [ 0.0011105600000000, 0.0002524300000000, 0.0009075700000000 ] - [ -0.0001973200000000, 0.0003279500000000, -0.0001576000000000 ] - [ -0.0023237400000000, 0.0002157400000000, 0.0029772700000000 ] - [ -0.0013771300000000, 0.0002266200000000, -0.0003240700000000 ] - [ 0.0008514300000000, -0.0003248800000000, -0.0004479300000000 ] - [ 0.0004419300000000, -0.0005300100000000, -0.0003203100000000 ] - [ -0.0008496500000000, -0.0001229800000000, -0.0003065700000000 ] - [ 0.0039512200000000, 0.0006143900000000, -0.0010638700000000 ] - [ 0.0004915800000000, -0.0007719300000000, -0.0003879200000000 ] - [ -0.0006327200000000, -0.0003292900000000, -0.0002016100000000 ]- atom: 17 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0002891000000000, -0.0020065000000000, 0.0021982200000000 ] - [ -0.0009469000000000, -0.0002507500000000, 0.0004252900000000 ] - [ 0.0003173300000000, 0.0000953200000000, 0.0001887200000000 ] - [ 0.0002859300000000, -0.0000464500000000, 0.0001392300000000 ] - [ -0.0009470600000000, 0.0001916500000000, -0.0004681400000000 ] - [ -0.0009641100000000, -0.0003396300000000, 0.0004429800000000 ] - [ 0.0003299800000000, -0.0002242200000000, -0.0002302400000000 ] - [ -0.0003200200000000, 0.0030238000000000, -0.0032432900000000 ] - [ 0.0003345400000000, 0.0000616000000000, 0.0002289500000000 ] - [ -0.0009974900000000, 0.0003206100000000, -0.0008497700000000 ] - [ -0.0002638300000000, -0.0000388300000000, -0.0003114900000000 ] - [ -0.0002781200000000, -0.0000744200000000, -0.0000906500000000 ] - [ -0.0001449400000000, 0.0024080600000000, -0.0030289400000000 ] - [ -0.0003042300000000, 0.0000539800000000, -0.0001581900000000 ] - [ -0.0003040500000000, 0.0002015700000000, 0.0001409200000000 ] - [ 0.0000734200000000, -0.0019001200000000, 0.0029024000000000 ] - [ 0.0098595700000000, 0.0011750600000000, 0.0000552100000000 ] - [ 0.0004575500000000, -0.0000147300000000, 0.0010465900000000 ] - [ 0.0005208500000000, -0.0000614300000000, 0.0002004600000000 ] - [ 0.0005090100000000, 0.0001186600000000, -0.0005287400000000 ] - [ -0.0002664500000000, 0.0000590600000000, 0.0000671500000000 ] - [ -0.0011894500000000, -0.0000567300000000, -0.0000488100000000 ] - [ -0.0010155200000000, 0.0000581000000000, -0.0000514600000000 ] - [ 0.0000588500000000, -0.0002051700000000, -0.0001233600000000 ] - [ 0.0023256100000000, -0.0069735100000000, -0.0076579300000000 ] - [ -0.0007140100000000, -0.0002735000000000, -0.0003304500000000 ] - [ 0.0007468900000000, -0.0003450100000000, 0.0004987500000000 ] - [ -0.0006653500000000, 0.0002183600000000, -0.0004187200000000 ] - [ -0.0028090100000000, 0.0012319500000000, 0.0015338900000000 ] - [ 0.0019927200000000, 0.0062228800000000, 0.0085329900000000 ] - [ -0.0028521500000000, -0.0013141200000000, -0.0023537400000000 ] - [ 0.0007161300000000, 0.0002645900000000, 0.0004775900000000 ] - [ -0.0011840800000000, -0.0004742200000000, -0.0018198700000000 ] - [ -0.0009300800000000, -0.0004947600000000, 0.0018830400000000 ] - [ 0.0000557100000000, 0.0005112500000000, 0.0003386600000000 ] - [ -0.0001529900000000, 0.0008985100000000, 0.0021125100000000 ] - [ -0.0136118800000000, 0.0036951400000000, 0.0056898100000000 ] - [ 0.0004080700000000, 0.0002203400000000, -0.0005182900000000 ] - [ 0.0014899300000000, 0.0000794200000000, 0.0005579500000000 ] - [ -0.0017723200000000, 0.0006638200000000, 0.0000163300000000 ] - [ -0.0135430300000000, -0.0058754100000000, -0.0041149800000000 ] - [ 0.0070727300000000, -0.0000764800000000, -0.0003079900000000 ] - [ 0.0018477500000000, 0.0001209100000000, 0.0003085500000000 ] - [ -0.0016771400000000, -0.0006106200000000, 0.0000903400000000 ] - [ 0.0007351900000000, -0.0006179500000000, 0.0000302600000000 ] - [ 0.0001972500000000, -0.0007118600000000, -0.0014522200000000 ] - [ -0.0011917900000000, -0.0000771800000000, -0.0002264500000000 ] - [ -0.0033828000000000, 0.0000633000000000, -0.0003072800000000 ] - [ 0.0006141400000000, 0.0003045700000000, -0.0001846100000000 ] - [ 0.0002634600000000, -0.0001452500000000, 0.0000473700000000 ] - [ 0.0006847600000000, -0.0000724500000000, 0.0002726100000000 ] - [ 0.0002810000000000, 0.0000846600000000, 0.0002320000000000 ] - [ -0.0000674700000000, 0.0000862300000000, -0.0002391900000000 ] - [ -0.0001819900000000, 0.0001121300000000, -0.0003079500000000 ] - [ -0.0002494000000000, -0.0019569000000000, -0.0020116600000000 ] - [ -0.0003013600000000, -0.0000678000000000, -0.0000997400000000 ] - [ -0.0000390100000000, -0.0000231500000000, 0.0000086300000000 ] - [ 0.0000361800000000, 0.0001152100000000, -0.0000599400000000 ] - [ -0.0000576600000000, 0.0001861800000000, -0.0004348300000000 ] - [ -0.0000646900000000, -0.0003324800000000, 0.0005477600000000 ] - [ -0.0000383200000000, -0.0001046400000000, -0.0002401300000000 ] - [ -0.0002893300000000, 0.0019723800000000, 0.0017897500000000 ] - [ 0.0000716000000000, -0.0000422900000000, 0.0004728100000000 ] - [ -0.0008600300000000, -0.0000981000000000, -0.0002462500000000 ] - [ 0.0002692800000000, 0.0002388400000000, -0.0006606800000000 ] - [ 0.0002103200000000, -0.0000449300000000, 0.0002301300000000 ] - [ -0.0000042600000000, 0.0007128000000000, 0.0003800100000000 ] - [ -0.0005829200000000, -0.0000232800000000, -0.0002490900000000 ] - [ 0.0081143000000000, -0.0016857200000000, -0.0016741500000000 ] - [ -0.0031944000000000, -0.0026558400000000, -0.0000619500000000 ] - [ 0.0000656900000000, 0.0002791700000000, 0.0003580200000000 ] - [ -0.0016524200000000, 0.0001899400000000, -0.0005382800000000 ] - [ -0.0009877700000000, -0.0000659300000000, 0.0005870900000000 ] - [ 0.0001425400000000, -0.0004654900000000, 0.0001491000000000 ] - [ 0.0007442000000000, -0.0005242200000000, -0.0003634000000000 ] - [ 0.0052569300000000, -0.0007671800000000, -0.0003626300000000 ] - [ 0.0023032000000000, -0.0034785100000000, -0.0011294700000000 ] - [ 0.0009768100000000, 0.0004443200000000, 0.0001919000000000 ] - [ 0.0014934900000000, 0.0005820200000000, -0.0005929900000000 ] - [ 0.0000941900000000, 0.0002006700000000, 0.0016951700000000 ] - [ -0.0003182500000000, -0.0003283800000000, 0.0001490700000000 ] - [ 0.0001715500000000, -0.0001332000000000, -0.0003857600000000 ] - [ 0.0008169000000000, 0.0011709700000000, 0.0012650900000000 ] - [ 0.0002920800000000, -0.0001641600000000, -0.0008279600000000 ] - [ 0.0008100900000000, 0.0006844700000000, 0.0012387500000000 ] - [ 0.0000640200000000, 0.0002257000000000, -0.0006952500000000 ] - [ 0.0009066600000000, -0.0006236700000000, 0.0001530600000000 ] - [ 0.0005395100000000, -0.0007992200000000, -0.0002592400000000 ] - [ 0.0005466900000000, -0.0000282900000000, 0.0002268800000000 ] - [ 0.0000950500000000, -0.0005489600000000, 0.0012765000000000 ] - [ -0.0053661900000000, -0.0021759500000000, -0.0000040100000000 ] - [ -0.0000218600000000, 0.0001004600000000, -0.0000604700000000 ] - [ 0.0002220000000000, -0.0006150700000000, 0.0005944300000000 ] - [ 0.0008861300000000, 0.0003249000000000, 0.0001602000000000 ] - [ -0.0006726600000000, -0.0003138100000000, 0.0000344700000000 ] - [ -0.0002486900000000, 0.0004938800000000, -0.0003340400000000 ] - [ -0.0066062600000000, 0.0000252900000000, -0.0002162600000000 ] - [ 0.0002027800000000, -0.0007486500000000, 0.0004062400000000 ] - [ 0.0011210100000000, 0.0007445400000000, 0.0006974700000000 ] - [ -0.0004886800000000, -0.0003544800000000, -0.0009901900000000 ] - [ 0.0002720000000000, 0.0004890900000000, -0.0003330200000000 ] - [ -0.0015092600000000, 0.0005642000000000, 0.0006727400000000 ] - [ -0.0007418600000000, 0.0007559700000000, -0.0004162300000000 ] - [ 0.0027810600000000, 0.0033578100000000, -0.0005606400000000 ] - [ -0.0037871600000000, 0.0036379800000000, 0.0000294300000000 ] - [ -0.0008761100000000, 0.0004842000000000, -0.0001644400000000 ] - [ -0.0007318300000000, 0.0000798100000000, 0.0004130400000000 ] - [ -0.0004110900000000, -0.0004783100000000, 0.0003127800000000 ] - [ 0.0020319700000000, 0.0008446100000000, 0.0036132800000000 ] - [ -0.0007394500000000, -0.0007121900000000, -0.0001512200000000 ] - [ 0.0019743600000000, 0.0000530000000000, 0.0002421600000000 ] - [ -0.0004410500000000, -0.0000234000000000, 0.0001690400000000 ] - [ 0.0011046300000000, -0.0004876900000000, -0.0006335900000000 ] - [ -0.0002043300000000, -0.0003211000000000, 0.0000872000000000 ] - [ 0.0005376200000000, -0.0008273700000000, -0.0012885200000000 ] - [ 0.0002018000000000, 0.0015793600000000, 0.0012751600000000 ] - [ 0.0067061600000000, 0.0016675400000000, 0.0006501500000000 ] - [ 0.0055084800000000, 0.0008174800000000, 0.0005471600000000 ] - [ 0.0002847800000000, -0.0003681700000000, -0.0022956100000000 ] - [ 0.0005857600000000, 0.0001314300000000, -0.0003315200000000 ] - [ 0.0005828100000000, 0.0000502700000000, -0.0018594600000000 ] - [ 0.0000588100000000, 0.0007331400000000, -0.0001265700000000 ] - [ -0.0000248100000000, -0.0000025000000000, 0.0000335900000000 ] - [ 0.0004855000000000, -0.0000444600000000, -0.0002280500000000 ] - [ 0.0002614800000000, 0.0001514300000000, 0.0005764500000000 ] - [ 0.0006883100000000, -0.0003080100000000, 0.0008796300000000 ] - [ -0.0016649600000000, -0.0001913900000000, -0.0004576600000000 ] - [ 0.0005854500000000, 0.0003382700000000, -0.0001970300000000 ] - [ 0.0019477500000000, 0.0004531100000000, -0.0033563600000000 ] - [ 0.0022338400000000, -0.0007061600000000, 0.0004264700000000 ] - [ -0.0002765100000000, 0.0003840800000000, 0.0008997300000000 ] - [ -0.0004112600000000, -0.0002904600000000, -0.0002807600000000 ] - [ 0.0008444100000000, 0.0003781600000000, -0.0002357700000000 ] - [ -0.0035481500000000, 0.0000884700000000, 0.0012507500000000 ] - [ 0.0004716400000000, -0.0007264800000000, -0.0004048000000000 ] - [ 0.0010209800000000, -0.0003374600000000, -0.0001576400000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0015022500000000, 0.0019157800000000, -0.0017291700000000 ] - [ 0.0000673500000000, -0.0000413000000000, -0.0000372800000000 ] - [ -0.0000207100000000, 0.0000825300000000, 0.0000233600000000 ] - [ -0.0000227900000000, -0.0000519500000000, 0.0000557900000000 ] - [ -0.0000116400000000, -0.0001037600000000, -0.0000550400000000 ] - [ 0.0000153000000000, 0.0000577000000000, 0.0000257600000000 ] - [ 0.0000292300000000, -0.0000688900000000, 0.0001040100000000 ] - [ -0.0029995800000000, 0.0008017100000000, -0.0028796000000000 ] - [ 0.0000277300000000, -0.0000624500000000, 0.0005091100000000 ] - [ -0.0000749600000000, -0.0000475000000000, -0.0004759800000000 ] - [ -0.0000083800000000, -0.0000139900000000, -0.0004096600000000 ] - [ 0.0000045000000000, 0.0000106300000000, 0.0000809300000000 ] - [ -0.0018578300000000, 0.0015472700000000, -0.0021163300000000 ] - [ 0.0000107400000000, -0.0000139600000000, 0.0000193300000000 ] - [ -0.0000046500000000, 0.0001478100000000, 0.0000152800000000 ] - [ 0.0020376900000000, 0.0001765600000000, -0.0018180000000000 ] - [ -0.0017040600000000, -0.0562219600000000, 0.0145312300000000 ] - [ 0.0005663400000000, -0.0001459300000000, -0.0000717600000000 ] - [ 0.0005176400000000, -0.0000762800000000, 0.0000721700000000 ] - [ 0.0004602600000000, 0.0001225000000000, -0.0000855400000000 ] - [ -0.0005207200000000, 0.0000578300000000, 0.0000269900000000 ] - [ -0.0005229000000000, -0.0000822500000000, -0.0000339900000000 ] - [ -0.0005211700000000, 0.0000556100000000, -0.0000526900000000 ] - [ 0.0007918500000000, 0.0003595800000000, 0.0000178500000000 ] - [ 0.0049671500000000, 0.0037567200000000, 0.0033302500000000 ] - [ -0.0000053200000000, 0.0000456600000000, 0.0000382000000000 ] - [ -0.0000691500000000, 0.0002793100000000, 0.0007720300000000 ] - [ 0.0000083000000000, 0.0000496000000000, -0.0008182800000000 ] - [ -0.0000737800000000, 0.0002128400000000, 0.0000992100000000 ] - [ -0.0045307000000000, 0.0038015000000000, 0.0039110200000000 ] - [ 0.0000455000000000, 0.0001874600000000, -0.0008009800000000 ] - [ 0.0000500200000000, 0.0002682100000000, -0.0000838300000000 ] - [ 0.0003588600000000, -0.0013418300000000, 0.0001321200000000 ] - [ 0.0000725500000000, -0.0005630900000000, 0.0004597800000000 ] - [ 0.0000574200000000, 0.0006326600000000, -0.0000324700000000 ] - [ -0.0000854200000000, 0.0007305600000000, 0.0003288000000000 ] - [ 0.0009440600000000, -0.0025430500000000, -0.0014683400000000 ] - [ 0.0003635500000000, 0.0000515500000000, -0.0002420600000000 ] - [ -0.0004599600000000, -0.0018085700000000, -0.0006028200000000 ] - [ -0.0000432300000000, 0.0006538600000000, 0.0000545300000000 ] - [ -0.0006226000000000, -0.0040264400000000, -0.0011451600000000 ] - [ -0.0004615600000000, 0.0276267800000000, 0.0026461600000000 ] - [ -0.0004238000000000, 0.0015490100000000, -0.0003342800000000 ] - [ -0.0000207600000000, -0.0006683200000000, 0.0000026000000000 ] - [ -0.0000331800000000, -0.0007116700000000, -0.0000732400000000 ] - [ 0.0005715900000000, 0.0001659100000000, 0.0004127400000000 ] - [ -0.0003863100000000, -0.0000935200000000, -0.0002147800000000 ] - [ -0.0003905000000000, 0.0001110300000000, -0.0002970500000000 ] - [ 0.0000499200000000, -0.0005214000000000, 0.0022296700000000 ] - [ 0.0001289300000000, -0.0007353900000000, -0.0002733400000000 ] - [ 0.0000257200000000, -0.0017742100000000, -0.0011927100000000 ] - [ 0.0000385100000000, 0.0001007700000000, 0.0003729100000000 ] - [ 0.0000426100000000, 0.0000813700000000, -0.0002371500000000 ] - [ -0.0000903500000000, 0.0001963100000000, -0.0002458500000000 ] - [ 0.0000617400000000, -0.0003579500000000, -0.0000135600000000 ] - [ 0.0000958800000000, -0.0001672200000000, -0.0000394700000000 ] - [ -0.0000764300000000, -0.0001097000000000, 0.0002395400000000 ] - [ 0.0001005000000000, 0.0001359900000000, -0.0000331600000000 ] - [ -0.0001168500000000, -0.0002016200000000, 0.0000011700000000 ] - [ -0.0000790600000000, 0.0001392500000000, 0.0000365500000000 ] - [ -0.0000369500000000, -0.0000994600000000, -0.0002413200000000 ] - [ -0.0003654300000000, 0.0002985200000000, 0.0000873100000000 ] - [ 0.0000143700000000, 0.0001210500000000, 0.0002113500000000 ] - [ 0.0000359500000000, -0.0001130400000000, -0.0002330600000000 ] - [ -0.0003052700000000, 0.0002893900000000, -0.0001006600000000 ] - [ -0.0000037100000000, -0.0001443000000000, 0.0002599500000000 ] - [ -0.0004815400000000, 0.0007598300000000, 0.0003987500000000 ] - [ 0.0000090500000000, -0.0001346300000000, -0.0002643400000000 ] - [ 0.0023438400000000, 0.0030264400000000, 0.0000523400000000 ] - [ -0.0020177000000000, -0.0076221600000000, 0.0000843200000000 ] - [ 0.0000954100000000, 0.0005230000000000, 0.0001092000000000 ] - [ 0.0000638000000000, -0.0000777100000000, 0.0011148800000000 ] - [ 0.0004665300000000, -0.0012666600000000, -0.0001328500000000 ] - [ -0.0000871200000000, -0.0004832200000000, 0.0001309900000000 ] - [ -0.0000770200000000, -0.0004666400000000, -0.0003217000000000 ] - [ 0.0008581700000000, 0.0003238100000000, 0.0003895900000000 ] - [ 0.0007987500000000, 0.0005995400000000, 0.0002981600000000 ] - [ -0.0000823900000000, 0.0004913200000000, 0.0001546100000000 ] - [ -0.0002797200000000, -0.0000411600000000, -0.0001946300000000 ] - [ -0.0006989000000000, 0.0004960400000000, -0.0007335300000000 ] - [ 0.0002024200000000, -0.0005864500000000, 0.0003260200000000 ] - [ -0.0002812200000000, -0.0000373600000000, -0.0002397800000000 ] - [ -0.0000278600000000, -0.0002080000000000, 0.0002468100000000 ] - [ 0.0000236800000000, -0.0002504900000000, -0.0000674800000000 ] - [ 0.0006262100000000, 0.0010441200000000, 0.0005731000000000 ] - [ -0.0001140600000000, 0.0003795200000000, 0.0000500500000000 ] - [ -0.0000019400000000, -0.0004137300000000, 0.0003111200000000 ] - [ 0.0005175700000000, -0.0007140600000000, 0.0003163100000000 ] - [ 0.0000082500000000, -0.0000506700000000, 0.0002238900000000 ] - [ -0.0002758300000000, -0.0005352400000000, 0.0001295600000000 ] - [ 0.0006969500000000, 0.0253126000000000, -0.0077603300000000 ] - [ 0.0000505700000000, -0.0000039400000000, -0.0002306800000000 ] - [ 0.0000133700000000, -0.0003453500000000, -0.0004635600000000 ] - [ 0.0004312600000000, 0.0002347300000000, 0.0000353100000000 ] - [ -0.0004134900000000, -0.0002510300000000, 0.0000376100000000 ] - [ -0.0000228000000000, 0.0003906300000000, -0.0003143100000000 ] - [ 0.0000071500000000, 0.0048136500000000, 0.0013217900000000 ] - [ -0.0004775500000000, -0.0007413800000000, 0.0003982400000000 ] - [ 0.0000147000000000, 0.0003758000000000, 0.0002921400000000 ] - [ 0.0000234500000000, -0.0002818000000000, -0.0003597600000000 ] - [ -0.0000731100000000, 0.0004724700000000, -0.0003694600000000 ] - [ 0.0000054500000000, -0.0034613100000000, -0.0027993600000000 ] - [ -0.0004815800000000, 0.0008058200000000, -0.0004319200000000 ] - [ -0.0001627600000000, 0.0020522900000000, -0.0003652400000000 ] - [ 0.0022971400000000, -0.0093275500000000, 0.0004803800000000 ] - [ -0.0000821500000000, 0.0004300000000000, 0.0009050400000000 ] - [ 0.0001168800000000, 0.0002088900000000, 0.0008293500000000 ] - [ -0.0000860100000000, -0.0001706600000000, 0.0004582400000000 ] - [ 0.0001863400000000, 0.0001830200000000, 0.0008104000000000 ] - [ -0.0000111600000000, 0.0016784700000000, -0.0002362200000000 ] - [ 0.0000236100000000, -0.0000105400000000, 0.0001994700000000 ] - [ 0.0000309700000000, 0.0001275400000000, 0.0003488200000000 ] - [ 0.0000043600000000, -0.0001625000000000, -0.0002793600000000 ] - [ -0.0001800200000000, -0.0003595500000000, -0.0001867900000000 ] - [ -0.0000307600000000, -0.0002712600000000, -0.0002338300000000 ] - [ -0.0000074500000000, 0.0005693400000000, -0.0001318100000000 ] - [ -0.0021165100000000, 0.0041368000000000, 0.0005673100000000 ] - [ -0.0003620700000000, 0.0000475300000000, -0.0000597600000000 ] - [ 0.0002039600000000, 0.0003238800000000, -0.0005024700000000 ] - [ 0.0000507100000000, 0.0003477700000000, 0.0002302000000000 ] - [ 0.0009688400000000, 0.0004088700000000, -0.0003089300000000 ] - [ 0.0000576500000000, 0.0004684800000000, 0.0003507500000000 ] - [ -0.0000667000000000, -0.0000000900000000, 0.0002471300000000 ] - [ 0.0002821700000000, 0.0000223600000000, -0.0002397100000000 ] - [ -0.0004920800000000, -0.0002751300000000, -0.0001077300000000 ] - [ -0.0001364100000000, -0.0003345000000000, 0.0002637200000000 ] - [ -0.0003221300000000, -0.0010745500000000, 0.0001984700000000 ] - [ 0.0001967200000000, 0.0003370400000000, -0.0002133800000000 ] - [ -0.0005503500000000, 0.0007275100000000, 0.0000933700000000 ] - [ 0.0004240100000000, -0.0003195300000000, 0.0000830000000000 ] - [ 0.0002196500000000, -0.0000941300000000, 0.0001333100000000 ] - [ -0.0000116200000000, -0.0004049500000000, -0.0002201200000000 ] - [ -0.0000090800000000, 0.0001220000000000, -0.0002694300000000 ] - [ 0.0004153100000000, 0.0057141700000000, -0.0072074900000000 ] - [ 0.0004760300000000, -0.0007361500000000, -0.0004087600000000 ] - [ 0.0001959000000000, -0.0003509900000000, -0.0001581000000000 ]- atom: 17 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0015247200000000, -0.0016407500000000, 0.0017531100000000 ] - [ -0.0000666300000000, 0.0000382500000000, 0.0000374900000000 ] - [ 0.0000203500000000, -0.0000836300000000, -0.0001508100000000 ] - [ 0.0000225900000000, 0.0000484000000000, -0.0000556200000000 ] - [ 0.0000116800000000, -0.0001635700000000, 0.0000544600000000 ] - [ -0.0000140000000000, -0.0000574800000000, 0.0001012800000000 ] - [ -0.0000295700000000, -0.0001988700000000, -0.0001038600000000 ] - [ 0.0029823400000000, -0.0008193300000000, 0.0028598900000000 ] - [ -0.0000272100000000, 0.0000587800000000, 0.0003454800000000 ] - [ 0.0000743500000000, 0.0000441000000000, -0.0003780000000000 ] - [ 0.0000081100000000, 0.0000116200000000, -0.0004441700000000 ] - [ -0.0000035600000000, -0.0000120200000000, 0.0000468900000000 ] - [ 0.0018768600000000, -0.0015337000000000, 0.0020101400000000 ] - [ -0.0000105100000000, 0.0000115900000000, -0.0000191400000000 ] - [ 0.0000046300000000, 0.0001171800000000, -0.0000153200000000 ] - [ -0.0020279700000000, -0.0001916900000000, 0.0026602400000000 ] - [ 0.0005519600000000, 0.0541631200000000, -0.0136565400000000 ] - [ 0.0004767300000000, 0.0000221500000000, -0.0000324400000000 ] - [ 0.0005229300000000, -0.0000449800000000, 0.0000318700000000 ] - [ 0.0005791800000000, -0.0000053500000000, -0.0000192400000000 ] - [ -0.0005204500000000, 0.0000613300000000, 0.0000742000000000 ] - [ -0.0005178000000000, -0.0000395100000000, -0.0000692500000000 ] - [ -0.0005196800000000, 0.0000602900000000, -0.0000520600000000 ] - [ 0.0002603200000000, -0.0002412700000000, 0.0000863800000000 ] - [ -0.0050020400000000, -0.0037075600000000, -0.0033826000000000 ] - [ 0.0000052900000000, -0.0000462600000000, -0.0000375100000000 ] - [ 0.0000662800000000, -0.0002735600000000, 0.0009385600000000 ] - [ -0.0000073500000000, -0.0000503900000000, -0.0008949000000000 ] - [ 0.0000754800000000, -0.0002096600000000, -0.0000963500000000 ] - [ 0.0045579000000000, -0.0037569700000000, -0.0022404300000000 ] - [ -0.0000463500000000, -0.0001826200000000, -0.0009097800000000 ] - [ -0.0000482700000000, -0.0002627100000000, 0.0000804600000000 ] - [ -0.0002828200000000, 0.0000643200000000, -0.0000482600000000 ] - [ 0.0006927000000000, 0.0004074500000000, 0.0000485900000000 ] - [ 0.0000157800000000, 0.0006351100000000, -0.0000496500000000 ] - [ 0.0001546000000000, 0.0005357600000000, -0.0002416300000000 ] - [ -0.0001317500000000, 0.0023555000000000, 0.0009432100000000 ] - [ 0.0004045200000000, 0.0000945000000000, -0.0002655400000000 ] - [ -0.0003113800000000, 0.0016079700000000, 0.0010561900000000 ] - [ -0.0000280400000000, 0.0006128800000000, 0.0000257600000000 ] - [ 0.0006529800000000, 0.0027136800000000, 0.0010583300000000 ] - [ 0.0004123800000000, -0.0262623900000000, -0.0027635200000000 ] - [ -0.0003434500000000, -0.0013994600000000, 0.0008312500000000 ] - [ -0.0000505400000000, -0.0006042900000000, 0.0000784500000000 ] - [ -0.0000391200000000, -0.0005614500000000, -0.0000104400000000 ] - [ 0.0002000800000000, -0.0000226600000000, 0.0001015000000000 ] - [ -0.0003814400000000, -0.0000577900000000, -0.0002912700000000 ] - [ -0.0003772100000000, 0.0000353600000000, -0.0002089400000000 ] - [ 0.0001480700000000, 0.0007639400000000, -0.0021070100000000 ] - [ 0.0000711300000000, 0.0004570200000000, 0.0003518200000000 ] - [ 0.0000588100000000, 0.0015928200000000, 0.0016970600000000 ] - [ 0.0000461700000000, 0.0000712400000000, 0.0001127100000000 ] - [ 0.0000423600000000, 0.0000899300000000, -0.0002455800000000 ] - [ -0.0000007200000000, -0.0000241900000000, -0.0002385600000000 ] - [ -0.0002615200000000, 0.0000788500000000, 0.0000916400000000 ] - [ 0.0001041200000000, -0.0001070000000000, -0.0000419000000000 ] - [ -0.0000095000000000, -0.0000655600000000, 0.0002427600000000 ] - [ 0.0000994200000000, 0.0001330600000000, -0.0000486800000000 ] - [ -0.0000831500000000, -0.0000725100000000, -0.0000823800000000 ] - [ -0.0001204700000000, 0.0001300900000000, 0.0000450400000000 ] - [ -0.0000476300000000, -0.0000760600000000, -0.0002414400000000 ] - [ 0.0001624200000000, -0.0000323100000000, -0.0001699400000000 ] - [ -0.0000978200000000, 0.0000496900000000, 0.0002704300000000 ] - [ 0.0000492300000000, -0.0000629800000000, -0.0002498300000000 ] - [ -0.0005532800000000, 0.0001915000000000, -0.0000057600000000 ] - [ 0.0000066100000000, -0.0001163800000000, 0.0002829400000000 ] - [ -0.0004794900000000, 0.0007227200000000, 0.0003874300000000 ] - [ 0.0000082800000000, 0.0000585000000000, -0.0002112900000000 ] - [ -0.0023273500000000, -0.0038580600000000, -0.0006587700000000 ] - [ 0.0020233700000000, 0.0084597700000000, -0.0006570300000000 ] - [ 0.0000782300000000, 0.0004483800000000, 0.0001805000000000 ] - [ -0.0006142300000000, 0.0000165800000000, -0.0006418400000000 ] - [ 0.0003906400000000, 0.0007753600000000, 0.0000366800000000 ] - [ -0.0000866100000000, -0.0004916800000000, 0.0001592700000000 ] - [ -0.0000713400000000, -0.0005006300000000, -0.0003868900000000 ] - [ -0.0008403800000000, -0.0000653500000000, 0.0001521800000000 ] - [ -0.0006213500000000, -0.0015580700000000, -0.0000073200000000 ] - [ -0.0000915500000000, 0.0004793400000000, 0.0001356600000000 ] - [ -0.0002833500000000, 0.0000990000000000, -0.0002565000000000 ] - [ 0.0006987200000000, -0.0002395100000000, 0.0001852100000000 ] - [ 0.0001869800000000, -0.0000864400000000, 0.0000436900000000 ] - [ -0.0002833200000000, -0.0000250300000000, -0.0002113100000000 ] - [ 0.0000192200000000, 0.0001266200000000, 0.0002319800000000 ] - [ 0.0001496100000000, -0.0007223400000000, -0.0002220400000000 ] - [ 0.0003361300000000, 0.0004419100000000, 0.0002137700000000 ] - [ -0.0002743000000000, 0.0002888200000000, 0.0003146200000000 ] - [ 0.0000229600000000, -0.0004018600000000, 0.0002882600000000 ] - [ 0.0004429500000000, -0.0007700800000000, 0.0004690900000000 ] - [ 0.0000082500000000, -0.0000232700000000, 0.0002512800000000 ] - [ -0.0001172200000000, -0.0001370800000000, 0.0002308900000000 ] - [ -0.0015651200000000, -0.0247232300000000, 0.0064597400000000 ] - [ -0.0000654300000000, 0.0000718500000000, -0.0002435500000000 ] - [ 0.0001342600000000, -0.0006214000000000, -0.0002466800000000 ] - [ 0.0004274900000000, 0.0002458600000000, 0.0000705600000000 ] - [ -0.0004461200000000, -0.0002341000000000, 0.0000682300000000 ] - [ -0.0000004600000000, 0.0004211700000000, -0.0002850100000000 ] - [ 0.0000110700000000, -0.0048319700000000, -0.0019559600000000 ] - [ -0.0004836800000000, -0.0007442800000000, 0.0003880000000000 ] - [ 0.0000094800000000, 0.0004367100000000, 0.0003080300000000 ] - [ -0.0000187500000000, 0.0000195400000000, -0.0001860500000000 ] - [ -0.0000749900000000, 0.0004914500000000, -0.0003392900000000 ] - [ -0.0001541800000000, 0.0044184100000000, 0.0034612000000000 ] - [ -0.0004790800000000, 0.0006770100000000, -0.0003536900000000 ] - [ 0.0011193700000000, -0.0005538800000000, -0.0004228200000000 ] - [ -0.0022825800000000, 0.0091031300000000, 0.0000916600000000 ] - [ -0.0000913400000000, 0.0005447700000000, -0.0011880400000000 ] - [ 0.0007322700000000, 0.0002751000000000, -0.0009128200000000 ] - [ -0.0000619400000000, -0.0007941000000000, 0.0002544400000000 ] - [ -0.0000318800000000, -0.0011436300000000, -0.0000952400000000 ] - [ -0.0001609600000000, -0.0026202300000000, -0.0000644000000000 ] - [ -0.0000076000000000, 0.0000794600000000, 0.0002755700000000 ] - [ -0.0000332400000000, 0.0001287900000000, 0.0001967300000000 ] - [ -0.0000084100000000, -0.0000977900000000, -0.0002628700000000 ] - [ -0.0002083700000000, -0.0003116600000000, -0.0001759100000000 ] - [ 0.0000075000000000, 0.0001918700000000, -0.0002396200000000 ] - [ 0.0001808700000000, 0.0004068600000000, -0.0001577500000000 ] - [ 0.0012217600000000, -0.0036643600000000, -0.0004633800000000 ] - [ 0.0009093500000000, -0.0001089900000000, -0.0003916700000000 ] - [ -0.0000524300000000, 0.0006411000000000, -0.0002101400000000 ] - [ -0.0000742300000000, 0.0004649200000000, 0.0003687600000000 ] - [ -0.0004007500000000, -0.0004703700000000, 0.0007544300000000 ] - [ 0.0000898000000000, 0.0004952900000000, 0.0003590500000000 ] - [ 0.0000479600000000, 0.0000684100000000, 0.0002287200000000 ] - [ 0.0002818100000000, 0.0000361300000000, -0.0002109900000000 ] - [ -0.0003695400000000, -0.0002102000000000, -0.0000008600000000 ] - [ 0.0001122400000000, -0.0004821000000000, 0.0003358200000000 ] - [ -0.0002387500000000, 0.0011254600000000, 0.0002596100000000 ] - [ 0.0001921900000000, 0.0003308000000000, -0.0001526000000000 ] - [ 0.0001528700000000, -0.0000585000000000, -0.0004512200000000 ] - [ 0.0004334100000000, -0.0001654300000000, 0.0000230500000000 ] - [ 0.0003448000000000, 0.0001507800000000, 0.0003141900000000 ] - [ 0.0000347100000000, -0.0004117400000000, -0.0003772300000000 ] - [ 0.0000059700000000, 0.0001341800000000, -0.0002734000000000 ] - [ -0.0000245100000000, -0.0049473400000000, 0.0075504700000000 ] - [ 0.0004849100000000, -0.0007512300000000, -0.0003773100000000 ] - [ 0.0001929600000000, -0.0003207000000000, -0.0002070500000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0025213900000000, -0.0023027900000000, -0.0005133300000000 ] - [ -0.0001699000000000, -0.0000478700000000, -0.0001987300000000 ] - [ -0.0002457800000000, 0.0000085000000000, 0.0008898000000000 ] - [ -0.0005349900000000, 0.0003144900000000, 0.0010023400000000 ] - [ 0.0001939500000000, -0.0001379100000000, -0.0003441500000000 ] - [ -0.0001757400000000, 0.0000143200000000, -0.0002896100000000 ] - [ 0.0002344700000000, -0.0001363700000000, 0.0009656200000000 ] - [ 0.0030395900000000, -0.0027302700000000, 0.0008457200000000 ] - [ 0.0006437400000000, 0.0003518200000000, 0.0013546700000000 ] - [ 0.0001635400000000, -0.0000452900000000, -0.0006941100000000 ] - [ -0.0001471400000000, 0.0000012900000000, -0.0001530700000000 ] - [ 0.0000929000000000, 0.0000616500000000, 0.0003842700000000 ] - [ 0.0031635500000000, -0.0027118500000000, -0.0001823500000000 ] - [ 0.0001587200000000, -0.0000062500000000, 0.0002356300000000 ] - [ -0.0001067100000000, 0.0001927500000000, 0.0002958300000000 ] - [ -0.0023270100000000, -0.0019926800000000, 0.0013537800000000 ] - [ -0.0003741700000000, 0.0144801100000000, -0.0601965700000000 ] - [ -0.0005760400000000, -0.0000409200000000, -0.0001113700000000 ] - [ 0.0006694400000000, -0.0000388600000000, 0.0006735700000000 ] - [ 0.0009954900000000, 0.0000262900000000, 0.0002514100000000 ] - [ -0.0005358300000000, 0.0000826500000000, 0.0011064500000000 ] - [ -0.0005162400000000, -0.0000775900000000, 0.0000884200000000 ] - [ -0.0005208500000000, 0.0000587000000000, -0.0001717800000000 ] - [ 0.0003420300000000, 0.0000930200000000, -0.0006605800000000 ] - [ 0.0086787100000000, 0.0054926500000000, -0.0001449100000000 ] - [ 0.0006132000000000, -0.0000087500000000, 0.0006265600000000 ] - [ 0.0015070900000000, -0.0016030500000000, 0.0038346100000000 ] - [ -0.0005686200000000, -0.0000176200000000, -0.0002490000000000 ] - [ -0.0005960300000000, 0.0001969800000000, -0.0005285500000000 ] - [ -0.0085923500000000, 0.0051184700000000, 0.0006581600000000 ] - [ 0.0006282100000000, 0.0001986300000000, -0.0013731800000000 ] - [ -0.0013750900000000, -0.0016003000000000, 0.0029525200000000 ] - [ 0.0023458800000000, -0.0014113900000000, 0.0015990300000000 ] - [ -0.0019577200000000, -0.0007373900000000, 0.0018789100000000 ] - [ 0.0003437900000000, 0.0005934600000000, 0.0016727000000000 ] - [ -0.0016441700000000, 0.0007180800000000, -0.0007980700000000 ] - [ 0.0011578000000000, -0.0013653900000000, -0.0054328700000000 ] - [ 0.0000835300000000, -0.0000867600000000, 0.0013828700000000 ] - [ -0.0003380900000000, 0.0037974000000000, 0.0204582800000000 ] - [ 0.0000045100000000, 0.0006946500000000, 0.0005823100000000 ] - [ -0.0008202700000000, -0.0018992800000000, -0.0043012900000000 ] - [ -0.0001213400000000, 0.0001418400000000, -0.0075801700000000 ] - [ -0.0001884700000000, -0.0001697200000000, 0.0027265000000000 ] - [ -0.0000731400000000, -0.0005338100000000, -0.0004766800000000 ] - [ -0.0000066600000000, -0.0004324500000000, 0.0035859800000000 ] - [ 0.0019753200000000, 0.0002479400000000, -0.0003813300000000 ] - [ -0.0004029200000000, 0.0000150000000000, 0.0006426000000000 ] - [ -0.0003682300000000, 0.0001701300000000, -0.0012083700000000 ] - [ 0.0002779600000000, 0.0034947900000000, -0.0018079600000000 ] - [ 0.0000121600000000, 0.0010379100000000, 0.0017626400000000 ] - [ -0.0000055500000000, 0.0007456600000000, 0.0041514600000000 ] - [ 0.0000628900000000, 0.0002745000000000, 0.0005154500000000 ] - [ 0.0000448700000000, 0.0000695900000000, -0.0001567000000000 ] - [ 0.0000648900000000, 0.0001352400000000, -0.0004637700000000 ] - [ 0.0003517600000000, -0.0004458200000000, -0.0004292800000000 ] - [ 0.0000877200000000, 0.0001514900000000, -0.0004454100000000 ] - [ 0.0004534400000000, -0.0000379200000000, 0.0003216100000000 ] - [ 0.0001152200000000, 0.0003987400000000, 0.0003115900000000 ] - [ -0.0001640600000000, -0.0008013500000000, 0.0007849400000000 ] - [ -0.0001493200000000, -0.0004490200000000, 0.0007806800000000 ] - [ -0.0001251400000000, -0.0000469100000000, -0.0000032400000000 ] - [ -0.0002343500000000, -0.0005169900000000, -0.0010495200000000 ] - [ -0.0002767200000000, 0.0001128900000000, 0.0002439000000000 ] - [ 0.0000472700000000, -0.0001133200000000, -0.0003278500000000 ] - [ 0.0004312100000000, 0.0001806400000000, -0.0000091800000000 ] - [ 0.0000031700000000, 0.0000183100000000, -0.0002801700000000 ] - [ -0.0004647200000000, 0.0007562100000000, 0.0004475200000000 ] - [ 0.0000298800000000, 0.0004171000000000, -0.0013334300000000 ] - [ 0.0024368600000000, 0.0003479100000000, 0.0050723700000000 ] - [ 0.0002862400000000, 0.0001829700000000, 0.0022683400000000 ] - [ 0.0002103800000000, 0.0007707100000000, -0.0006769500000000 ] - [ -0.0038465800000000, 0.0009277500000000, -0.0054223500000000 ] - [ -0.0002700400000000, -0.0014237100000000, -0.0009292600000000 ] - [ -0.0000949200000000, -0.0006098300000000, -0.0002361200000000 ] - [ -0.0000637000000000, -0.0006381400000000, 0.0001591200000000 ] - [ 0.0006203500000000, 0.0004043700000000, 0.0009011900000000 ] - [ -0.0001654000000000, 0.0001982200000000, 0.0016595900000000 ] - [ -0.0000780100000000, 0.0003574300000000, 0.0005539200000000 ] - [ -0.0005231400000000, -0.0001455200000000, 0.0002256900000000 ] - [ -0.0025885000000000, 0.0008124700000000, -0.0015439700000000 ] - [ 0.0001540400000000, 0.0000931000000000, -0.0015973200000000 ] - [ -0.0000395600000000, -0.0001798800000000, -0.0006819500000000 ] - [ -0.0007089200000000, -0.0001674500000000, 0.0005372000000000 ] - [ 0.0006190900000000, 0.0000625600000000, -0.0007613400000000 ] - [ -0.0002145600000000, 0.0009632000000000, 0.0001261600000000 ] - [ 0.0002098100000000, 0.0002880700000000, -0.0010022100000000 ] - [ 0.0002558300000000, -0.0004919400000000, 0.0003690400000000 ] - [ 0.0011656800000000, -0.0009436800000000, 0.0003919800000000 ] - [ 0.0000012000000000, -0.0000679900000000, 0.0000283500000000 ] - [ -0.0006394700000000, -0.0003278000000000, 0.0009239300000000 ] - [ -0.0007269000000000, -0.0075814600000000, 0.0069188700000000 ] - [ -0.0009531400000000, 0.0001749000000000, -0.0008351300000000 ] - [ -0.0002249500000000, -0.0000431000000000, -0.0017195300000000 ] - [ 0.0002074600000000, 0.0000960000000000, -0.0004230100000000 ] - [ 0.0000892300000000, 0.0000702000000000, -0.0009632700000000 ] - [ -0.0004332200000000, 0.0007054700000000, -0.0012477200000000 ] - [ 0.0000091200000000, -0.0037656400000000, 0.0034459000000000 ] - [ -0.0005009400000000, -0.0007033800000000, 0.0003177400000000 ] - [ -0.0002027800000000, 0.0003032100000000, 0.0001738800000000 ] - [ 0.0011612600000000, 0.0004772800000000, -0.0003114500000000 ] - [ -0.0000851100000000, 0.0003436300000000, -0.0008688000000000 ] - [ -0.0001698900000000, 0.0005688600000000, 0.0057268800000000 ] - [ -0.0004931700000000, 0.0009524700000000, -0.0017968800000000 ] - [ 0.0010187800000000, 0.0008267800000000, 0.0006592300000000 ] - [ -0.0000525500000000, -0.0004945200000000, 0.0031969800000000 ] - [ -0.0000825200000000, 0.0009181400000000, -0.0018474500000000 ] - [ 0.0038383600000000, 0.0010360300000000, -0.0055670500000000 ] - [ -0.0000247100000000, -0.0010400100000000, -0.0024031600000000 ] - [ -0.0007936200000000, -0.0001031900000000, 0.0027842900000000 ] - [ -0.0002366300000000, -0.0052651400000000, -0.0029550600000000 ] - [ 0.0000046300000000, -0.0000520600000000, 0.0003954900000000 ] - [ -0.0003633400000000, -0.0001700600000000, -0.0014658500000000 ] - [ 0.0001733100000000, -0.0002317700000000, -0.0003833200000000 ] - [ -0.0003163100000000, -0.0004822100000000, -0.0012464300000000 ] - [ 0.0006980200000000, -0.0001626600000000, 0.0000999000000000 ] - [ -0.0005201100000000, 0.0004955900000000, 0.0001427500000000 ] - [ -0.0034869200000000, 0.0009775500000000, 0.0058770800000000 ] - [ -0.0003964100000000, 0.0002542400000000, 0.0006565900000000 ] - [ 0.0004656500000000, 0.0008755400000000, 0.0006813200000000 ] - [ 0.0006235700000000, 0.0002116400000000, 0.0002363300000000 ] - [ 0.0030514300000000, 0.0005707100000000, -0.0011890100000000 ] - [ 0.0001453400000000, 0.0007337000000000, -0.0009228600000000 ] - [ 0.0008217700000000, 0.0002299900000000, -0.0003682400000000 ] - [ 0.0002229700000000, 0.0002345400000000, -0.0008237400000000 ] - [ -0.0010374800000000, -0.0003929900000000, -0.0002145700000000 ] - [ -0.0009203300000000, -0.0005304900000000, 0.0003055900000000 ] - [ 0.0003127000000000, -0.0013524300000000, -0.0008119900000000 ] - [ 0.0002058800000000, 0.0003974400000000, -0.0007728300000000 ] - [ 0.0007029300000000, 0.0002405000000000, 0.0024455200000000 ] - [ 0.0006528000000000, -0.0003983600000000, 0.0005100500000000 ] - [ -0.0008438000000000, 0.0004857600000000, 0.0002279000000000 ] - [ 0.0002303600000000, -0.0007137800000000, -0.0020337700000000 ] - [ -0.0002138100000000, 0.0000419800000000, -0.0001993000000000 ] - [ -0.0005624300000000, -0.0063079800000000, 0.0277338500000000 ] - [ 0.0003052400000000, -0.0009018100000000, -0.0010194500000000 ] - [ 0.0001804400000000, -0.0002598900000000, 0.0004165400000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0025130300000000, 0.0025583600000000, 0.0004995300000000 ] - [ 0.0001688600000000, 0.0000474900000000, 0.0001991200000000 ] - [ 0.0002458100000000, -0.0000095800000000, -0.0010174100000000 ] - [ 0.0005316300000000, -0.0003140200000000, -0.0010017600000000 ] - [ -0.0001941200000000, -0.0001271700000000, 0.0003399500000000 ] - [ 0.0001765500000000, -0.0000135600000000, 0.0004119100000000 ] - [ -0.0002356200000000, -0.0001297200000000, -0.0009671200000000 ] - [ -0.0030639300000000, 0.0027552000000000, -0.0008362300000000 ] - [ -0.0006396000000000, -0.0003508100000000, -0.0005024200000000 ] - [ -0.0001630500000000, 0.0000448200000000, -0.0001576300000000 ] - [ 0.0001458600000000, -0.0000015100000000, -0.0007010900000000 ] - [ -0.0000927200000000, -0.0000614800000000, -0.0002590900000000 ] - [ -0.0031510500000000, 0.0026967600000000, 0.0000436600000000 ] - [ -0.0001580600000000, 0.0000061400000000, -0.0002380200000000 ] - [ 0.0001070500000000, 0.0000721400000000, -0.0002969400000000 ] - [ 0.0023472700000000, 0.0020133400000000, -0.0004997400000000 ] - [ -0.0005711700000000, -0.0137030500000000, 0.0590024300000000 ] - [ 0.0016136200000000, -0.0000783800000000, 0.0000031900000000 ] - [ 0.0003728100000000, -0.0000785800000000, -0.0005697100000000 ] - [ 0.0000448100000000, 0.0000918600000000, -0.0003560600000000 ] - [ -0.0005057800000000, 0.0000366100000000, -0.0010028000000000 ] - [ -0.0005252000000000, -0.0000407900000000, -0.0001938500000000 ] - [ -0.0005207000000000, 0.0000589400000000, 0.0000633200000000 ] - [ 0.0006953100000000, 0.0000250800000000, 0.0007615800000000 ] - [ -0.0087153600000000, -0.0055221000000000, 0.0001782500000000 ] - [ -0.0006107300000000, 0.0000088100000000, -0.0006296900000000 ] - [ -0.0015012000000000, 0.0015986900000000, -0.0021208000000000 ] - [ 0.0005666900000000, 0.0000176600000000, -0.0014658100000000 ] - [ 0.0005932800000000, -0.0001956400000000, 0.0005331800000000 ] - [ 0.0086274700000000, -0.0051470700000000, 0.0010849600000000 ] - [ -0.0006245800000000, -0.0001970000000000, -0.0003341800000000 ] - [ 0.0013689300000000, 0.0015968200000000, -0.0029512000000000 ] - [ -0.0022796500000000, 0.0001404600000000, -0.0015161000000000 ] - [ 0.0027326000000000, 0.0005907300000000, -0.0013674600000000 ] - [ -0.0002650300000000, 0.0006807100000000, -0.0017536300000000 ] - [ 0.0017122900000000, 0.0005565300000000, 0.0008665600000000 ] - [ -0.0003506500000000, 0.0012105400000000, 0.0048798100000000 ] - [ 0.0006785200000000, 0.0002362600000000, -0.0018943700000000 ] - [ -0.0004361000000000, -0.0039993800000000, -0.0197748500000000 ] - [ -0.0000789500000000, 0.0005799600000000, -0.0005009500000000 ] - [ 0.0008544100000000, 0.0006123600000000, 0.0041880800000000 ] - [ 0.0000423200000000, 0.0010907700000000, 0.0074309500000000 ] - [ -0.0005773200000000, 0.0003341000000000, -0.0022079600000000 ] - [ -0.0000020700000000, -0.0007401400000000, 0.0005512000000000 ] - [ -0.0000684400000000, -0.0008430100000000, -0.0036668800000000 ] - [ -0.0012039900000000, -0.0000978700000000, 0.0008832000000000 ] - [ -0.0003618800000000, -0.0001641800000000, -0.0011544100000000 ] - [ -0.0003973000000000, -0.0000208000000000, 0.0006920200000000 ] - [ -0.0000768400000000, -0.0031965900000000, 0.0018722000000000 ] - [ 0.0001877200000000, -0.0013108400000000, -0.0016849900000000 ] - [ 0.0000911700000000, -0.0009635100000000, -0.0037585900000000 ] - [ 0.0000220200000000, -0.0001022400000000, -0.0000378300000000 ] - [ 0.0000400300000000, 0.0001006500000000, -0.0003245200000000 ] - [ -0.0001477900000000, 0.0000356700000000, -0.0000169800000000 ] - [ -0.0005499400000000, 0.0001704700000000, 0.0005042800000000 ] - [ 0.0001121100000000, -0.0004222500000000, 0.0003599000000000 ] - [ -0.0005372500000000, -0.0001324400000000, 0.0001555500000000 ] - [ 0.0000846800000000, -0.0001261600000000, -0.0003941600000000 ] - [ -0.0000362300000000, 0.0005290100000000, -0.0008678300000000 ] - [ -0.0000504400000000, 0.0007200000000000, -0.0006997400000000 ] - [ 0.0000395700000000, -0.0001236500000000, -0.0004779800000000 ] - [ 0.0000348500000000, 0.0007827900000000, 0.0009579400000000 ] - [ 0.0001925500000000, 0.0000573900000000, 0.0002347500000000 ] - [ 0.0000376700000000, -0.0000574800000000, -0.0001531800000000 ] - [ -0.0012928400000000, 0.0003008700000000, -0.0000990600000000 ] - [ 0.0000022000000000, -0.0002725800000000, 0.0008164200000000 ] - [ -0.0004962300000000, 0.0007416600000000, 0.0003442800000000 ] - [ -0.0000123300000000, -0.0004840700000000, 0.0008559200000000 ] - [ -0.0024529200000000, -0.0011686000000000, -0.0056895200000000 ] - [ -0.0002431900000000, 0.0006507200000000, -0.0028740900000000 ] - [ -0.0000364700000000, 0.0001949100000000, 0.0009663100000000 ] - [ 0.0032851300000000, -0.0009811700000000, 0.0058659800000000 ] - [ 0.0011313700000000, 0.0009433200000000, 0.0008196100000000 ] - [ -0.0000786300000000, -0.0003568400000000, 0.0005258300000000 ] - [ -0.0000845400000000, -0.0003257400000000, -0.0008761900000000 ] - [ -0.0005980500000000, -0.0001519800000000, -0.0003627800000000 ] - [ 0.0003302100000000, -0.0011575000000000, -0.0013614800000000 ] - [ -0.0000954100000000, 0.0006078900000000, -0.0002621600000000 ] - [ -0.0000417000000000, 0.0002087200000000, -0.0006826300000000 ] - [ 0.0026065600000000, -0.0005585800000000, 0.0010030500000000 ] - [ 0.0002347900000000, -0.0007631700000000, 0.0019504300000000 ] - [ -0.0005226700000000, 0.0001154700000000, 0.0002237400000000 ] - [ 0.0006877800000000, 0.0000974500000000, -0.0000710400000000 ] - [ -0.0004479900000000, -0.0010300600000000, 0.0004655500000000 ] - [ 0.0011769200000000, 0.0005342200000000, 0.0006618900000000 ] - [ -0.0006002700000000, 0.0003779400000000, 0.0013562400000000 ] - [ -0.0002271500000000, -0.0003275600000000, 0.0002328200000000 ] - [ -0.0002029200000000, -0.0005561200000000, 0.0004013400000000 ] - [ 0.0000152600000000, -0.0000000400000000, 0.0004439700000000 ] - [ 0.0002509800000000, -0.0003392700000000, -0.0005629900000000 ] - [ -0.0002337100000000, 0.0060431400000000, -0.0076256800000000 ] - [ 0.0009333600000000, -0.0001071200000000, 0.0003587900000000 ] - [ 0.0003741400000000, -0.0009207500000000, 0.0009976900000000 ] - [ 0.0006482500000000, 0.0003836200000000, 0.0005226800000000 ] - [ -0.0009445000000000, -0.0005498100000000, 0.0010618800000000 ] - [ 0.0004020100000000, 0.0001143300000000, 0.0006418800000000 ] - [ 0.0000112800000000, 0.0036254700000000, -0.0044515800000000 ] - [ -0.0004598000000000, -0.0007953400000000, 0.0004722400000000 ] - [ 0.0002302100000000, 0.0005154900000000, 0.0004252500000000 ] - [ -0.0011489100000000, -0.0007288200000000, -0.0002262600000000 ] - [ -0.0000628200000000, 0.0006189200000000, 0.0001464800000000 ] - [ 0.0000221200000000, 0.0003912700000000, -0.0049767000000000 ] - [ -0.0004670100000000, 0.0005466700000000, 0.0009997700000000 ] - [ -0.0000495300000000, 0.0006772200000000, -0.0014530800000000 ] - [ 0.0000332100000000, 0.0002525500000000, -0.0026622700000000 ] - [ -0.0000901400000000, 0.0000343700000000, 0.0015569800000000 ] - [ -0.0029820500000000, -0.0005443700000000, 0.0054582500000000 ] - [ -0.0001229000000000, 0.0000777900000000, 0.0031207000000000 ] - [ 0.0009396300000000, -0.0008580100000000, -0.0020524200000000 ] - [ 0.0000632600000000, 0.0042720700000000, 0.0026407900000000 ] - [ 0.0000117100000000, 0.0001195500000000, 0.0000748400000000 ] - [ 0.0003576000000000, 0.0004239500000000, 0.0020011000000000 ] - [ -0.0001799000000000, -0.0000225200000000, -0.0001584700000000 ] - [ -0.0000709700000000, -0.0001842900000000, 0.0008868800000000 ] - [ -0.0007134200000000, 0.0000941900000000, -0.0005821400000000 ] - [ 0.0006906600000000, 0.0004713000000000, -0.0004333400000000 ] - [ 0.0026149400000000, -0.0005020000000000, -0.0057897800000000 ] - [ 0.0009436500000000, -0.0003204400000000, -0.0011122300000000 ] - [ -0.0003179900000000, 0.0000908000000000, -0.0013928200000000 ] - [ -0.0006511400000000, 0.0006083300000000, 0.0003671700000000 ] - [ -0.0025001200000000, -0.0006335800000000, 0.0016428600000000 ] - [ 0.0000012300000000, 0.0002300400000000, 0.0016374900000000 ] - [ -0.0008367600000000, -0.0001621900000000, 0.0008402600000000 ] - [ 0.0003408900000000, -0.0001704000000000, 0.0003663100000000 ] - [ 0.0001788600000000, -0.0000874800000000, 0.0001115600000000 ] - [ 0.0008950000000000, -0.0002878500000000, 0.0002923000000000 ] - [ -0.0008781100000000, 0.0014164700000000, 0.0012606800000000 ] - [ 0.0001819200000000, 0.0002689800000000, 0.0004128700000000 ] - [ -0.0010892600000000, 0.0004242100000000, -0.0027893000000000 ] - [ 0.0002056000000000, -0.0000823200000000, -0.0004089200000000 ] - [ 0.0014016200000000, -0.0004203200000000, 0.0002283400000000 ] - [ -0.0002035600000000, -0.0001055600000000, 0.0014269200000000 ] - [ 0.0002054500000000, 0.0002112000000000, -0.0003396700000000 ] - [ 0.0008780500000000, 0.0064886400000000, -0.0253850200000000 ] - [ 0.0006538700000000, -0.0005971300000000, 0.0002241000000000 ] - [ 0.0002074500000000, -0.0004062700000000, -0.0007724300000000 ]- atom: 25 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0041695200000000, 0.0015800100000000, 0.0001568200000000 ] - [ 0.0024309000000000, 0.0004105300000000, 0.0000687400000000 ] - [ 0.0010265700000000, 0.0001157400000000, -0.0022465200000000 ] - [ -0.0012266400000000, 0.0002080000000000, 0.0000934000000000 ] - [ 0.0016554000000000, -0.0004047300000000, 0.0000709300000000 ] - [ 0.0010293300000000, 0.0001163400000000, -0.0021122500000000 ] - [ -0.0041718500000000, 0.0013116100000000, 0.0001748800000000 ] - [ -0.0088042100000000, -0.0004164600000000, 0.0001999500000000 ] - [ 0.0001587500000000, 0.0000115100000000, 0.0005155100000000 ] - [ 0.0026418800000000, 0.0012109300000000, -0.0006573900000000 ] - [ 0.0001607500000000, 0.0000117200000000, -0.0003358000000000 ] - [ 0.0007833300000000, 0.0003014700000000, 0.0019857700000000 ] - [ 0.0007791900000000, 0.0003004800000000, 0.0018667500000000 ] - [ 0.0009233400000000, -0.0001746600000000, 0.0000411500000000 ] - [ 0.0016553900000000, -0.0001394800000000, 0.0000686100000000 ] - [ 0.0026408500000000, 0.0012091700000000, 0.0001947600000000 ] - [ -0.0028230100000000, 0.0049448900000000, 0.0087719600000000 ] - [ -0.0001889500000000, -0.0001086900000000, -0.0014263800000000 ] - [ 0.0012320900000000, -0.0000535100000000, -0.0005605700000000 ] - [ -0.0017665800000000, 0.0050229400000000, 0.0086210300000000 ] - [ -0.0012321700000000, 0.0000107700000000, -0.0013189300000000 ] - [ 0.0022889200000000, -0.0001330100000000, 0.0005407300000000 ] - [ 0.0001919200000000, 0.0000640900000000, -0.0006641200000000 ] - [ 0.0033334800000000, -0.0000155100000000, 0.0006489900000000 ] - [ -0.1970124200000000, -0.0041380600000000, -0.0003361600000000 ] - [ 0.0024035700000000, 0.0008854100000000, -0.0001371400000000 ] - [ 0.0002327400000000, -0.0001117800000000, 0.0007094600000000 ] - [ 0.0002389700000000, -0.0001136800000000, -0.0010014000000000 ] - [ 0.0081312300000000, -0.0018000000000000, 0.0000952800000000 ] - [ 0.0268411500000000, -0.0056593000000000, 0.0018962600000000 ] - [ 0.0266503700000000, -0.0056855200000000, 0.0001834100000000 ] - [ -0.0028910500000000, -0.0011256100000000, -0.0001566800000000 ] - [ 0.0090731600000000, -0.0123787900000000, 0.0139080600000000 ] - [ 0.0095672100000000, 0.0015865600000000, -0.0029686000000000 ] - [ 0.0022109300000000, 0.0008125900000000, -0.0019354500000000 ] - [ -0.0020978400000000, 0.0000034600000000, -0.0035895500000000 ] - [ 0.0038538000000000, -0.0101434700000000, -0.0147283900000000 ] - [ -0.0019500200000000, -0.0008632800000000, 0.0023930500000000 ] - [ -0.0027209900000000, -0.0010086200000000, 0.0029029200000000 ] - [ 0.0088048400000000, 0.0023818000000000, 0.0029942300000000 ] - [ 0.0088858700000000, 0.0011132800000000, 0.0029282300000000 ] - [ 0.0088794500000000, -0.0111860600000000, 0.0139145100000000 ] - [ 0.0029245900000000, -0.0100541400000000, -0.0142804700000000 ] - [ 0.0021407300000000, -0.0004629300000000, -0.0018471900000000 ] - [ -0.0021794200000000, -0.0012718900000000, -0.0036694100000000 ] - [ 0.0026943400000000, 0.0003370700000000, 0.0017772300000000 ] - [ 0.0019347900000000, 0.0001878100000000, 0.0012579300000000 ] - [ 0.0087930100000000, 0.0017320800000000, -0.0034653900000000 ] - [ -0.0003863800000000, -0.0024619500000000, 0.0030110800000000 ] - [ -0.0004546700000000, -0.0023116300000000, -0.0031729600000000 ] - [ 0.0015652900000000, 0.0055209100000000, -0.0035279500000000 ] - [ -0.0002750100000000, 0.0001831900000000, 0.0005160500000000 ] - [ 0.0003577300000000, 0.0000294200000000, -0.0001305500000000 ] - [ 0.0014084100000000, 0.0055935400000000, -0.0039724300000000 ] - [ 0.0001197200000000, 0.0008733700000000, 0.0012237100000000 ] - [ 0.0005632100000000, 0.0006750200000000, -0.0011356600000000 ] - [ 0.0002720800000000, -0.0001415700000000, 0.0003495500000000 ] - [ 0.0003200300000000, 0.0011425800000000, 0.0011382700000000 ] - [ -0.0005900400000000, -0.0027416600000000, 0.0029353600000000 ] - [ 0.0003630800000000, 0.0009499000000000, -0.0010581700000000 ] - [ -0.0003592200000000, 0.0000124500000000, 0.0000372200000000 ] - [ -0.0006537600000000, -0.0020474900000000, -0.0032603100000000 ] - [ 0.0013336600000000, 0.0000385400000000, 0.0001295400000000 ] - [ 0.0014168100000000, -0.0001313600000000, -0.0003491800000000 ] - [ -0.0056157000000000, 0.0009876400000000, -0.0008312800000000 ] - [ -0.0016433600000000, -0.0007679200000000, 0.0008879000000000 ] - [ -0.0011457400000000, 0.0008688900000000, 0.0008744900000000 ] - [ 0.0010790800000000, 0.0000527300000000, -0.0002220700000000 ] - [ -0.0081712000000000, -0.0031473700000000, -0.0048192900000000 ] - [ -0.0027434200000000, 0.0040428000000000, -0.0043518700000000 ] - [ 0.0008379900000000, 0.0019346600000000, -0.0018939900000000 ] - [ -0.0001478500000000, 0.0002154700000000, -0.0003693100000000 ] - [ 0.0201637000000000, -0.0021358200000000, -0.0026062400000000 ] - [ -0.0007606500000000, -0.0010153900000000, -0.0007461400000000 ] - [ -0.0011558000000000, -0.0008646500000000, 0.0012795800000000 ] - [ -0.0049088600000000, 0.0013812300000000, 0.0007740900000000 ] - [ 0.0011729100000000, 0.0012068000000000, 0.0030361100000000 ] - [ -0.0024246300000000, -0.0006156000000000, 0.0012017900000000 ] - [ -0.0094975200000000, -0.0026960400000000, 0.0043974800000000 ] - [ 0.0195325400000000, -0.0033306500000000, 0.0043438000000000 ] - [ 0.0007746700000000, -0.0009803500000000, 0.0052624900000000 ] - [ -0.0009706000000000, -0.0000453400000000, -0.0005724700000000 ] - [ 0.0379655000000000, 0.0125998000000000, -0.0048859300000000 ] - [ -0.0022520300000000, -0.0015838700000000, 0.0009154300000000 ] - [ 0.0009358200000000, 0.0027336400000000, -0.0015224000000000 ] - [ -0.0023041100000000, 0.0003904400000000, 0.0023455200000000 ] - [ -0.0006966300000000, -0.0003359200000000, 0.0009017700000000 ] - [ 0.0011263200000000, -0.0008240900000000, 0.0013861800000000 ] - [ -0.0010598100000000, -0.0001309600000000, 0.0002684800000000 ] - [ -0.0016721400000000, -0.0001947000000000, -0.0010030000000000 ] - [ 0.0000136800000000, 0.0012066100000000, -0.0023239800000000 ] - [ -0.0010741900000000, -0.0000629300000000, -0.0002067800000000 ] - [ -0.0006627800000000, 0.0009932900000000, -0.0071515300000000 ] - [ -0.0013661800000000, -0.0002450400000000, -0.0005678000000000 ] - [ 0.0019679600000000, 0.0004899300000000, -0.0008534500000000 ] - [ -0.0007192600000000, 0.0004813800000000, 0.0003007400000000 ] - [ 0.0412799800000000, 0.0142182000000000, -0.0055893700000000 ] - [ -0.0032643700000000, -0.0013459000000000, -0.0002157100000000 ] - [ -0.0081323400000000, -0.0023188500000000, -0.0042127800000000 ] - [ 0.0021771100000000, 0.0007324200000000, 0.0006776400000000 ] - [ -0.0017337400000000, -0.0003009400000000, -0.0028252800000000 ] - [ -0.0007760800000000, 0.0019456500000000, -0.0063996200000000 ] - [ 0.0001680400000000, 0.0006721700000000, 0.0005928900000000 ] - [ -0.0023042600000000, 0.0001510500000000, -0.0010114500000000 ] - [ 0.0195192400000000, -0.0036606500000000, 0.0049724300000000 ] - [ 0.0010424800000000, 0.0021287500000000, 0.0027384700000000 ] - [ 0.0028275000000000, 0.0009694700000000, -0.0009545900000000 ] - [ 0.0011103600000000, 0.0006457600000000, 0.0041185300000000 ] - [ -0.0015848400000000, -0.0012668800000000, -0.0021144300000000 ] - [ 0.0006662200000000, 0.0009624000000000, -0.0021790500000000 ] - [ -0.0047728500000000, 0.0004325100000000, 0.0001780700000000 ] - [ 0.0021728800000000, 0.0009874500000000, 0.0012149200000000 ] - [ -0.0049166900000000, 0.0011290400000000, 0.0002392500000000 ] - [ 0.0015519500000000, -0.0008352500000000, -0.0027107000000000 ] - [ -0.0047950800000000, 0.0003641400000000, -0.0002973600000000 ] - [ -0.0005861700000000, -0.0000490500000000, -0.0010395600000000 ] - [ 0.0193509400000000, -0.0017365200000000, -0.0025762800000000 ] - [ -0.0010577000000000, 0.0053319700000000, 0.0047456700000000 ] - [ 0.0012528800000000, 0.0016149200000000, 0.0034008600000000 ] - [ 0.0001119100000000, 0.0005536600000000, 0.0011978000000000 ] - [ -0.0089411500000000, -0.0027660800000000, 0.0048535000000000 ] - [ -0.0010069600000000, 0.0000992500000000, 0.0020037100000000 ] - [ 0.0010594200000000, 0.0001209700000000, 0.0002528100000000 ] - [ 0.0004107500000000, 0.0002814200000000, -0.0008264600000000 ] - [ -0.0022235300000000, -0.0007254900000000, -0.0006716200000000 ] - [ -0.0027995300000000, 0.0031835400000000, -0.0037104800000000 ] - [ -0.0015861200000000, 0.0054430100000000, 0.0052476400000000 ] - [ -0.0012848700000000, 0.0004705200000000, -0.0013553100000000 ] - [ 0.0003470600000000, -0.0003178300000000, 0.0049303200000000 ] - [ -0.0047595200000000, 0.0005089300000000, -0.0007330000000000 ] - [ -0.0004016700000000, 0.0000169300000000, -0.0001189400000000 ] - [ 0.0001443400000000, -0.0002671600000000, 0.0005939200000000 ] - [ -0.0016507500000000, -0.0005136400000000, 0.0003475500000000 ] - [ 0.0019484700000000, -0.0001691700000000, -0.0023553900000000 ] - [ -0.0001834500000000, -0.0006272800000000, 0.0000834900000000 ] - [ -0.0019167400000000, -0.0002764000000000, 0.0019832700000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0022075400000000, -0.0040891000000000, -0.0009401300000000 ] - [ -0.0004522100000000, 0.0001696900000000, 0.0000076200000000 ] - [ -0.0007155800000000, -0.0011518800000000, 0.0001139200000000 ] - [ 0.0005492000000000, 0.0000847400000000, -0.0000183900000000 ] - [ -0.0003781300000000, -0.0003173100000000, -0.0000000700000000 ] - [ -0.0007157500000000, -0.0011547500000000, 0.0002405100000000 ] - [ 0.0022069200000000, -0.0043543600000000, -0.0009293400000000 ] - [ 0.0021033800000000, 0.0182029700000000, -0.0005544500000000 ] - [ -0.0001185900000000, 0.0001044500000000, 0.0003927500000000 ] - [ -0.0005730100000000, 0.0021627700000000, -0.0004492200000000 ] - [ -0.0001193100000000, 0.0001042400000000, -0.0004612100000000 ] - [ -0.0005371700000000, -0.0010797600000000, -0.0004040500000000 ] - [ -0.0005382900000000, -0.0010800500000000, -0.0005323400000000 ] - [ -0.0003266500000000, 0.0001058400000000, 0.0000033800000000 ] - [ -0.0003781300000000, -0.0000502900000000, 0.0000003900000000 ] - [ -0.0005675300000000, 0.0021540200000000, 0.0004036200000000 ] - [ 0.0064491400000000, 0.0036671900000000, 0.0055716900000000 ] - [ 0.0007810200000000, 0.0002082100000000, 0.0015488900000000 ] - [ 0.0002476200000000, -0.0000108100000000, 0.0000436600000000 ] - [ 0.0074503900000000, 0.0038032400000000, 0.0054436400000000 ] - [ -0.0002601300000000, 0.0003294000000000, 0.0016481900000000 ] - [ -0.0017567000000000, 0.0001541000000000, -0.0002477500000000 ] - [ -0.0007936600000000, 0.0001095800000000, -0.0000598900000000 ] - [ -0.0007133800000000, 0.0002749500000000, -0.0001448000000000 ] - [ -0.0040876500000000, -0.1914361700000000, 0.0030371200000000 ] - [ -0.0008849300000000, -0.0005222500000000, 0.0000603900000000 ] - [ -0.0001009300000000, -0.0004821800000000, 0.0011015700000000 ] - [ -0.0001014100000000, -0.0004817200000000, -0.0006110900000000 ] - [ -0.0017991900000000, -0.0008905500000000, -0.0000246600000000 ] - [ 0.0056670700000000, -0.0118160000000000, 0.0015766000000000 ] - [ 0.0057001300000000, -0.0118545700000000, -0.0001392600000000 ] - [ 0.0011249000000000, -0.0003676900000000, 0.0003220800000000 ] - [ -0.0256896400000000, 0.0193710400000000, -0.0117619900000000 ] - [ 0.0005468200000000, 0.0012018500000000, -0.0004885600000000 ] - [ -0.0011856500000000, 0.0008116500000000, 0.0005687100000000 ] - [ 0.0009772900000000, 0.0009516400000000, 0.0000723200000000 ] - [ -0.0288824500000000, 0.0151640400000000, 0.0168913700000000 ] - [ 0.0016315700000000, 0.0024389000000000, 0.0011336300000000 ] - [ 0.0008640000000000, 0.0022920500000000, 0.0016448100000000 ] - [ 0.0001792900000000, 0.0022643300000000, 0.0001980600000000 ] - [ 0.0002464300000000, 0.0009875700000000, 0.0001156300000000 ] - [ -0.0257296400000000, 0.0206254700000000, -0.0117158000000000 ] - [ -0.0296237800000000, 0.0152465100000000, 0.0172945600000000 ] - [ -0.0012596400000000, -0.0004591800000000, 0.0006510800000000 ] - [ 0.0009049800000000, -0.0003192600000000, -0.0000104900000000 ] - [ -0.0006623500000000, 0.0003712800000000, -0.0003847900000000 ] - [ -0.0014299600000000, 0.0002221100000000, -0.0008922100000000 ] - [ -0.0002144500000000, 0.0013575400000000, -0.0010001600000000 ] - [ 0.0010192500000000, 0.0038292000000000, -0.0033420800000000 ] - [ 0.0008337600000000, 0.0037991200000000, 0.0026984700000000 ] - [ 0.0108305000000000, 0.0055937600000000, -0.0028658900000000 ] - [ 0.0001579000000000, 0.0000639700000000, -0.0000002900000000 ] - [ -0.0000452400000000, 0.0001156800000000, -0.0002360800000000 ] - [ 0.0106230200000000, 0.0057670500000000, -0.0032659000000000 ] - [ -0.0002237100000000, 0.0001245100000000, 0.0001647900000000 ] - [ -0.0002098300000000, 0.0002168500000000, -0.0002062200000000 ] - [ -0.0001300500000000, -0.0000577700000000, 0.0002470400000000 ] - [ -0.0000240700000000, 0.0003972200000000, 0.0000839300000000 ] - [ 0.0008159800000000, 0.0035533600000000, -0.0034242400000000 ] - [ -0.0004088700000000, 0.0004869100000000, -0.0001231700000000 ] - [ 0.0000728700000000, -0.0001098200000000, -0.0004833900000000 ] - [ 0.0006309700000000, 0.0040816300000000, 0.0026231500000000 ] - [ -0.0007820700000000, 0.0001949900000000, 0.0002111600000000 ] - [ -0.0006991000000000, 0.0000215600000000, -0.0002723200000000 ] - [ -0.0001615400000000, 0.0001232200000000, 0.0001138900000000 ] - [ 0.0006725200000000, 0.0001581800000000, 0.0000445500000000 ] - [ -0.0001758800000000, 0.0005039700000000, 0.0002404800000000 ] - [ -0.0003677200000000, 0.0001323500000000, -0.0003364200000000 ] - [ -0.0020524300000000, -0.0005839300000000, -0.0018466100000000 ] - [ 0.0086738200000000, 0.0020448700000000, -0.0015910700000000 ] - [ -0.0004176900000000, -0.0023504400000000, 0.0018852400000000 ] - [ -0.0006504800000000, -0.0002176700000000, -0.0002581400000000 ] - [ 0.0018312900000000, 0.0269849500000000, 0.0127112500000000 ] - [ 0.0001884200000000, -0.0007812600000000, 0.0001766900000000 ] - [ 0.0005469800000000, -0.0006778600000000, -0.0006708900000000 ] - [ 0.0002441500000000, -0.0000493100000000, 0.0002168500000000 ] - [ 0.0034871700000000, -0.0121354900000000, -0.0024802100000000 ] - [ 0.0002835600000000, -0.0005094600000000, 0.0002785300000000 ] - [ -0.0026455300000000, -0.0004214100000000, 0.0014133400000000 ] - [ -0.0008658500000000, 0.0231264800000000, -0.0147242100000000 ] - [ 0.0058728100000000, -0.0005673400000000, -0.0095864400000000 ] - [ 0.0001714300000000, -0.0000221100000000, -0.0000501700000000 ] - [ 0.0029172300000000, 0.0243842600000000, -0.0044171200000000 ] - [ 0.0004576700000000, -0.0014792700000000, -0.0000113900000000 ] - [ 0.0028465800000000, -0.0099641300000000, 0.0005127000000000 ] - [ -0.0000992800000000, 0.0002792000000000, 0.0006531200000000 ] - [ 0.0007077500000000, -0.0004265300000000, -0.0001118500000000 ] - [ 0.0002450000000000, -0.0014067600000000, 0.0002334900000000 ] - [ 0.0003709500000000, 0.0000962300000000, 0.0001975500000000 ] - [ 0.0004385200000000, -0.0003504900000000, 0.0006871400000000 ] - [ 0.0018736600000000, -0.0114832600000000, -0.0003068400000000 ] - [ 0.0003538600000000, 0.0001685900000000, -0.0002775200000000 ] - [ 0.0039375100000000, -0.0055571000000000, 0.0086398600000000 ] - [ 0.0010577500000000, 0.0003793900000000, 0.0003373400000000 ] - [ -0.0014748400000000, -0.0006730200000000, -0.0002490100000000 ] - [ 0.0006847100000000, 0.0003875100000000, -0.0007106000000000 ] - [ 0.0033695800000000, 0.0245896200000000, -0.0048846500000000 ] - [ -0.0000058600000000, -0.0016865400000000, 0.0004994500000000 ] - [ -0.0020402000000000, 0.0002279600000000, -0.0012579000000000 ] - [ -0.0009701300000000, -0.0002352100000000, -0.0004372600000000 ] - [ -0.0000519700000000, 0.0000883800000000, -0.0007234600000000 ] - [ 0.0038139700000000, -0.0045980700000000, 0.0093715700000000 ] - [ -0.0007156100000000, 0.0000784200000000, -0.0005531000000000 ] - [ 0.0009544000000000, -0.0001987900000000, -0.0002876400000000 ] - [ -0.0003279800000000, 0.0219993200000000, -0.0130325200000000 ] - [ 0.0033257500000000, -0.0111951300000000, -0.0027519300000000 ] - [ -0.0006146900000000, -0.0001906000000000, -0.0003555600000000 ] - [ -0.0009776700000000, -0.0023652700000000, -0.0005063200000000 ] - [ 0.0000970600000000, -0.0008772400000000, -0.0000136700000000 ] - [ -0.0005922800000000, -0.0033282200000000, 0.0015986300000000 ] - [ 0.0017412800000000, 0.0009047000000000, 0.0002583600000000 ] - [ -0.0009704400000000, 0.0000240200000000, 0.0001055500000000 ] - [ 0.0002410800000000, -0.0003085800000000, -0.0003254700000000 ] - [ -0.0016581900000000, -0.0001305800000000, -0.0019728300000000 ] - [ 0.0017216300000000, 0.0008296000000000, -0.0002177800000000 ] - [ 0.0003622500000000, 0.0001943300000000, -0.0001112900000000 ] - [ 0.0004018300000000, 0.0289026800000000, 0.0143569600000000 ] - [ 0.0092892000000000, 0.0037091800000000, 0.0011637700000000 ] - [ -0.0008290000000000, -0.0014025100000000, -0.0012166900000000 ] - [ -0.0000908500000000, 0.0005700900000000, 0.0001359000000000 ] - [ -0.0020606200000000, -0.0004782500000000, 0.0018526500000000 ] - [ 0.0006936300000000, 0.0002908300000000, 0.0000357000000000 ] - [ -0.0003845300000000, 0.0002047900000000, 0.0001387700000000 ] - [ -0.0000831200000000, -0.0001570300000000, -0.0007081300000000 ] - [ 0.0001976700000000, -0.0001032900000000, 0.0002314000000000 ] - [ 0.0086634900000000, 0.0012402800000000, -0.0009904800000000 ] - [ 0.0086937900000000, 0.0037579900000000, 0.0016134100000000 ] - [ 0.0008274700000000, 0.0003184000000000, 0.0003221000000000 ] - [ 0.0054860400000000, 0.0000900800000000, -0.0099673600000000 ] - [ 0.0006934800000000, -0.0003595100000000, 0.0002193900000000 ] - [ 0.0007387700000000, 0.0000382700000000, 0.0004015500000000 ] - [ -0.0000679400000000, -0.0002448800000000, -0.0004636900000000 ] - [ 0.0006726100000000, 0.0004176100000000, -0.0004983600000000 ] - [ -0.0012717500000000, 0.0005398800000000, -0.0016130700000000 ] - [ 0.0007846000000000, -0.0009808500000000, -0.0005466200000000 ] - [ 0.0002880600000000, -0.0003900300000000, 0.0002926000000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0002657500000000, -0.0003252100000000, 0.0086922900000000 ] - [ 0.0000719400000000, -0.0000193200000000, -0.0011351200000000 ] - [ -0.0020085300000000, -0.0005272300000000, 0.0007716400000000 ] - [ -0.0001263900000000, 0.0000938200000000, 0.0025589900000000 ] - [ 0.0000108700000000, -0.0001252200000000, 0.0000663700000000 ] - [ -0.0020133900000000, -0.0005280500000000, 0.0008945200000000 ] - [ -0.0002665000000000, -0.0005790900000000, 0.0086086800000000 ] - [ -0.0004434500000000, 0.0000256500000000, -0.0117608200000000 ] - [ 0.0001928100000000, 0.0000471200000000, 0.0021364400000000 ] - [ -0.0003316200000000, 0.0000875900000000, -0.0041041500000000 ] - [ 0.0001899600000000, 0.0000462600000000, 0.0012845700000000 ] - [ 0.0019725200000000, 0.0006029000000000, 0.0010622200000000 ] - [ 0.0019778200000000, 0.0006015900000000, 0.0009353000000000 ] - [ 0.0000124200000000, -0.0000218800000000, 0.0008932700000000 ] - [ 0.0000102100000000, 0.0001401900000000, 0.0000683000000000 ] - [ -0.0003360200000000, 0.0000785600000000, -0.0032547000000000 ] - [ 0.0071381600000000, 0.0033167800000000, -0.0001170600000000 ] - [ 0.0000380800000000, 0.0000219200000000, 0.0029039700000000 ] - [ 0.0001889700000000, -0.0000201800000000, 0.0006853700000000 ] - [ 0.0081403600000000, 0.0033954600000000, -0.0002017300000000 ] - [ -0.0010010000000000, 0.0001406600000000, 0.0030079200000000 ] - [ 0.0010174600000000, -0.0001565200000000, -0.0005798900000000 ] - [ -0.0008539600000000, 0.0000971900000000, 0.0005776400000000 ] - [ 0.0020625500000000, -0.0000389900000000, -0.0004762300000000 ] - [ -0.0003478400000000, 0.0030505300000000, -0.1923168300000000 ] - [ 0.0001373300000000, 0.0000601600000000, 0.0024531200000000 ] - [ 0.0002122900000000, -0.0001710700000000, 0.0056795100000000 ] - [ 0.0002061700000000, -0.0001674000000000, 0.0039669600000000 ] - [ -0.0000952800000000, 0.0000244600000000, -0.0028469600000000 ] - [ -0.0020908000000000, 0.0012204800000000, -0.0110375800000000 ] - [ -0.0020228000000000, 0.0011794200000000, -0.0127330900000000 ] - [ -0.0001565500000000, -0.0003221500000000, 0.0074549800000000 ] - [ 0.0318129800000000, -0.0169944300000000, 0.0086320100000000 ] - [ -0.0015630500000000, 0.0002071900000000, -0.0006959200000000 ] - [ -0.0011732300000000, 0.0006981700000000, 0.0020311100000000 ] - [ -0.0015044700000000, 0.0008704500000000, 0.0080839900000000 ] - [ -0.0302465000000000, 0.0118587000000000, 0.0136404600000000 ] - [ 0.0016540400000000, -0.0007455400000000, 0.0079578800000000 ] - [ 0.0008929600000000, -0.0008870800000000, 0.0084910200000000 ] - [ 0.0020639500000000, 0.0002089900000000, -0.0008146300000000 ] - [ 0.0021331900000000, -0.0010710600000000, -0.0009030200000000 ] - [ 0.0317820000000000, -0.0158161300000000, 0.0086327700000000 ] - [ -0.0309684600000000, 0.0118739000000000, 0.0141116800000000 ] - [ -0.0012522600000000, -0.0005762900000000, 0.0021060100000000 ] - [ -0.0015719100000000, -0.0004047300000000, 0.0080001400000000 ] - [ 0.0015477100000000, 0.0000877000000000, 0.0023461600000000 ] - [ 0.0007798200000000, -0.0000603500000000, 0.0018368600000000 ] - [ -0.0023152500000000, 0.0003618700000000, -0.0012196700000000 ] - [ -0.0003060100000000, -0.0037531200000000, 0.0044217900000000 ] - [ -0.0006156100000000, 0.0024244100000000, 0.0036369200000000 ] - [ -0.0104250300000000, -0.0057782900000000, -0.0009110100000000 ] - [ 0.0002173400000000, 0.0001858500000000, 0.0011928800000000 ] - [ 0.0002515900000000, 0.0000884000000000, 0.0000847800000000 ] - [ -0.0105118100000000, -0.0056680500000000, -0.0014253500000000 ] - [ 0.0001298700000000, 0.0000765800000000, 0.0004122600000000 ] - [ -0.0002781800000000, 0.0000183600000000, -0.0000624100000000 ] - [ 0.0001675300000000, -0.0000819300000000, 0.0005638900000000 ] - [ 0.0003292100000000, 0.0003515600000000, 0.0003336800000000 ] - [ -0.0005100400000000, -0.0040311800000000, 0.0043414200000000 ] - [ -0.0004777500000000, 0.0002869500000000, 0.0000238200000000 ] - [ 0.0001315100000000, 0.0000157700000000, 0.0007143600000000 ] - [ -0.0008193800000000, 0.0026860400000000, 0.0035411200000000 ] - [ -0.0008489400000000, 0.0001299800000000, -0.0003026800000000 ] - [ -0.0007639000000000, -0.0000400600000000, -0.0007818600000000 ] - [ 0.0003470100000000, -0.0002533100000000, 0.0011732100000000 ] - [ 0.0006107600000000, 0.0002677900000000, -0.0007881600000000 ] - [ -0.0001868200000000, 0.0004848900000000, -0.0005349200000000 ] - [ 0.0000239500000000, 0.0001370100000000, -0.0025760700000000 ] - [ -0.0006833300000000, -0.0006578700000000, 0.0018249100000000 ] - [ -0.0127147700000000, -0.0019088900000000, 0.0043612200000000 ] - [ -0.0000904800000000, 0.0021891100000000, -0.0041403000000000 ] - [ -0.0025394000000000, 0.0012504100000000, -0.0034663400000000 ] - [ 0.0017709000000000, 0.0138761600000000, 0.0287365700000000 ] - [ -0.0004484700000000, -0.0004912900000000, -0.0006105700000000 ] - [ 0.0006511600000000, -0.0006315500000000, -0.0013929300000000 ] - [ -0.0008238700000000, 0.0007055800000000, 0.0012875500000000 ] - [ 0.0066542200000000, -0.0090341500000000, -0.0022817200000000 ] - [ 0.0006384600000000, 0.0003038500000000, 0.0006371700000000 ] - [ 0.0008133700000000, 0.0003763900000000, 0.0011189400000000 ] - [ 0.0007414300000000, -0.0117025000000000, 0.0327957500000000 ] - [ 0.0052907100000000, -0.0011547900000000, -0.0067320000000000 ] - [ -0.0007171200000000, -0.0001848100000000, -0.0017647800000000 ] - [ 0.0053191600000000, -0.0003447200000000, 0.0220853400000000 ] - [ 0.0008137300000000, -0.0006592800000000, 0.0003426600000000 ] - [ -0.0070160700000000, 0.0098210500000000, 0.0039642600000000 ] - [ 0.0003888500000000, 0.0004301200000000, 0.0004126400000000 ] - [ 0.0006834500000000, -0.0003153800000000, -0.0013118500000000 ] - [ 0.0008441500000000, -0.0002602300000000, -0.0025659400000000 ] - [ -0.0001453600000000, -0.0000886000000000, -0.0009693700000000 ] - [ -0.0010092800000000, -0.0001630000000000, -0.0009721400000000 ] - [ -0.0079854000000000, 0.0083473000000000, 0.0031655600000000 ] - [ -0.0001644400000000, -0.0000199900000000, -0.0014448900000000 ] - [ -0.0047908200000000, 0.0037327700000000, -0.0089363600000000 ] - [ -0.0002586000000000, -0.0001294600000000, -0.0012040300000000 ] - [ 0.0004559700000000, 0.0007407600000000, -0.0038943900000000 ] - [ 0.0006528300000000, 0.0005050000000000, -0.0019166300000000 ] - [ 0.0050988800000000, -0.0004731300000000, 0.0216709200000000 ] - [ -0.0013990900000000, -0.0005908200000000, 0.0012481400000000 ] - [ -0.0006686800000000, 0.0001588900000000, 0.0024115600000000 ] - [ -0.0003561400000000, -0.0006518800000000, -0.0039978100000000 ] - [ -0.0006367500000000, 0.0003973900000000, -0.0000757400000000 ] - [ -0.0049188300000000, 0.0046966200000000, -0.0081786200000000 ] - [ -0.0001178500000000, 0.0012352700000000, -0.0033588100000000 ] - [ -0.0004377700000000, 0.0009069900000000, 0.0004570900000000 ] - [ 0.0015968300000000, -0.0135249700000000, 0.0349850300000000 ] - [ 0.0064989400000000, -0.0080840500000000, -0.0025802200000000 ] - [ 0.0013146700000000, 0.0012196900000000, -0.0039998700000000 ] - [ 0.0015372900000000, -0.0014848900000000, -0.0058621400000000 ] - [ -0.0004884500000000, -0.0005648300000000, 0.0006485800000000 ] - [ -0.0002647000000000, 0.0012140100000000, -0.0044309700000000 ] - [ 0.0002716900000000, -0.0000594800000000, 0.0026651200000000 ] - [ -0.0003656000000000, -0.0003998000000000, -0.0034581000000000 ] - [ -0.0008312700000000, 0.0004506000000000, 0.0007476900000000 ] - [ -0.0022601100000000, -0.0017657900000000, -0.0059314800000000 ] - [ 0.0002549100000000, -0.0001297500000000, 0.0021916400000000 ] - [ -0.0002765200000000, 0.0004783300000000, -0.0008985700000000 ] - [ 0.0003839800000000, 0.0157989900000000, 0.0300853300000000 ] - [ 0.0117122400000000, 0.0023526400000000, 0.0047499700000000 ] - [ 0.0016929500000000, -0.0005099300000000, -0.0065801600000000 ] - [ 0.0017006500000000, -0.0006536100000000, -0.0027692500000000 ] - [ 0.0014035300000000, 0.0003182200000000, 0.0015573400000000 ] - [ 0.0007982500000000, 0.0003350600000000, -0.0006816900000000 ] - [ 0.0000094500000000, 0.0002041900000000, -0.0021012900000000 ] - [ -0.0019694100000000, 0.0013128800000000, -0.0039159400000000 ] - [ -0.0011177800000000, -0.0006090900000000, -0.0013050200000000 ] - [ -0.0127104100000000, -0.0027233400000000, 0.0049545800000000 ] - [ 0.0111328900000000, 0.0024001700000000, 0.0051887100000000 ] - [ -0.0006196400000000, 0.0005029900000000, -0.0013336600000000 ] - [ 0.0049032600000000, -0.0005165500000000, -0.0070715800000000 ] - [ 0.0012007400000000, -0.0007332800000000, 0.0012759200000000 ] - [ -0.0001554900000000, -0.0001195800000000, -0.0013073000000000 ] - [ 0.0017241600000000, -0.0014719200000000, -0.0033732200000000 ] - [ 0.0006053100000000, 0.0005219800000000, -0.0013251700000000 ] - [ -0.0018820400000000, -0.0011118200000000, -0.0055945900000000 ] - [ 0.0007727400000000, -0.0010103100000000, -0.0013294300000000 ] - [ 0.0007752900000000, -0.0002355300000000, 0.0000622800000000 ]- atom: 27 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0010567700000000, 0.0003647900000000, 0.0021528600000000 ] - [ 0.0001425000000000, 0.0000121000000000, -0.0000369400000000 ] - [ -0.0033379900000000, 0.0015677100000000, -0.0000721200000000 ] - [ 0.0026160000000000, 0.0011762700000000, -0.0003008800000000 ] - [ 0.0010548000000000, 0.0000994500000000, -0.0021604300000000 ] - [ 0.0016297200000000, -0.0002947100000000, 0.0000620600000000 ] - [ 0.0007557900000000, 0.0000626600000000, -0.0018883200000000 ] - [ 0.0001448700000000, 0.0000124900000000, 0.0000364700000000 ] - [ -0.0087384100000000, -0.0002895100000000, 0.0004292300000000 ] - [ 0.0009332500000000, -0.0001715900000000, -0.0004260100000000 ] - [ 0.0024093000000000, 0.0003880700000000, -0.0004257300000000 ] - [ 0.0016322100000000, -0.0002637800000000, 0.0000643400000000 ] - [ -0.0048754000000000, 0.0014841900000000, -0.0000521300000000 ] - [ 0.0026146100000000, 0.0011743200000000, 0.0003010700000000 ] - [ 0.0007522400000000, 0.0003273300000000, 0.0018960200000000 ] - [ -0.0012166500000000, 0.0001904100000000, 0.0004254200000000 ] - [ -0.0012725200000000, -0.0001267900000000, 0.0015585200000000 ] - [ 0.0033724000000000, -0.0001046100000000, 0.0005722200000000 ] - [ -0.0015100200000000, 0.0045040000000000, 0.0086840500000000 ] - [ 0.0011897000000000, 0.0000667400000000, -0.0006197900000000 ] - [ -0.0025374600000000, 0.0045839500000000, -0.0085351200000000 ] - [ 0.0001468200000000, -0.0000514500000000, 0.0005166800000000 ] - [ 0.0023343600000000, 0.0000130800000000, -0.0006807400000000 ] - [ -0.0002324000000000, -0.0000080300000000, -0.0014511800000000 ] - [ 0.0002388000000000, -0.0001020300000000, 0.0002091500000000 ] - [ 0.0268414200000000, -0.0056694700000000, 0.0020584500000000 ] - [ -0.1913072400000000, -0.0021281600000000, 0.0011267600000000 ] - [ 0.0080491600000000, -0.0017540500000000, -0.0008556900000000 ] - [ 0.0002328700000000, -0.0001002400000000, -0.0002094400000000 ] - [ -0.0027945300000000, -0.0010895800000000, 0.0008551200000000 ] - [ 0.0023611300000000, 0.0008830600000000, -0.0008557600000000 ] - [ 0.0266500100000000, -0.0056971800000000, -0.0020553700000000 ] - [ 0.0022236200000000, -0.0004729600000000, -0.0016015300000000 ] - [ -0.0017272600000000, -0.0008508600000000, 0.0028087000000000 ] - [ 0.0042377200000000, -0.0111418400000000, 0.0143509000000000 ] - [ 0.0093381000000000, 0.0027902100000000, 0.0028427000000000 ] - [ 0.0027043900000000, 0.0001148800000000, 0.0015737400000000 ] - [ 0.0088840200000000, 0.0013421900000000, -0.0035146200000000 ] - [ 0.0070566000000000, -0.0101586400000000, 0.0144285500000000 ] - [ 0.0021438900000000, 0.0008026700000000, 0.0016886400000000 ] - [ -0.0024013300000000, -0.0012563300000000, -0.0037371300000000 ] - [ -0.0024708800000000, 0.0000188000000000, 0.0036571500000000 ] - [ -0.0024851100000000, -0.0007062600000000, -0.0022972300000000 ] - [ 0.0092704400000000, 0.0015203100000000, -0.0027759200000000 ] - [ 0.0043359600000000, -0.0123442300000000, -0.0143590200000000 ] - [ 0.0076992500000000, -0.0100770000000000, -0.0139970100000000 ] - [ 0.0081268700000000, 0.0011973900000000, 0.0030175400000000 ] - [ 0.0019341200000000, 0.0002640900000000, -0.0020933400000000 ] - [ -0.0009408500000000, -0.0024221600000000, 0.0036063300000000 ] - [ -0.0000015900000000, -0.0022978000000000, -0.0024993500000000 ] - [ -0.0002591800000000, -0.0000012300000000, 0.0000030400000000 ] - [ 0.0015945200000000, 0.0059951700000000, 0.0040638000000000 ] - [ 0.0013681400000000, 0.0000172300000000, -0.0000808500000000 ] - [ 0.0002883000000000, 0.0000352700000000, -0.0001190600000000 ] - [ -0.0011412300000000, -0.0026880100000000, -0.0035206200000000 ] - [ 0.0002203900000000, 0.0007468800000000, -0.0011213200000000 ] - [ 0.0015807400000000, 0.0059296600000000, -0.0036217900000000 ] - [ 0.0006611900000000, 0.0011162200000000, 0.0011915500000000 ] - [ 0.0004611100000000, 0.0008415000000000, -0.0012690800000000 ] - [ -0.0001988500000000, -0.0020164800000000, 0.0025734400000000 ] - [ 0.0012811700000000, -0.0001522200000000, -0.0003975100000000 ] - [ 0.0000210100000000, 0.0010162800000000, 0.0010361500000000 ] - [ -0.0003449700000000, 0.0001692200000000, 0.0004754200000000 ] - [ 0.0003726500000000, -0.0001354700000000, -0.0003607300000000 ] - [ -0.0003481200000000, 0.0004872100000000, -0.0006136500000000 ] - [ -0.0012742200000000, 0.0044637400000000, -0.0047068600000000 ] - [ -0.0033635200000000, 0.0001305800000000, 0.0008899100000000 ] - [ 0.0354997500000000, 0.0116446000000000, 0.0037247100000000 ] - [ 0.0023657600000000, 0.0004344400000000, 0.0005553800000000 ] - [ 0.0023920200000000, 0.0012529900000000, -0.0011599400000000 ] - [ -0.0021965100000000, -0.0006679400000000, 0.0013379000000000 ] - [ 0.0192615000000000, -0.0038875300000000, 0.0042611400000000 ] - [ 0.0005058100000000, 0.0000092900000000, 0.0005132000000000 ] - [ -0.0023698800000000, -0.0016361800000000, -0.0010505000000000 ] - [ -0.0017682600000000, -0.0012301800000000, 0.0019439100000000 ] - [ 0.0002172400000000, 0.0001889600000000, 0.0011986700000000 ] - [ -0.0005283200000000, -0.0008751400000000, -0.0007642100000000 ] - [ -0.0006997000000000, 0.0000906700000000, 0.0010588100000000 ] - [ -0.0020745700000000, -0.0005281800000000, 0.0005694400000000 ] - [ -0.0006792100000000, 0.0002478600000000, 0.0001593300000000 ] - [ 0.0017081300000000, -0.0007484300000000, 0.0026182900000000 ] - [ -0.0050970100000000, 0.0008717000000000, 0.0004366100000000 ] - [ -0.0010604100000000, -0.0001359600000000, 0.0002100200000000 ] - [ 0.0006243400000000, 0.0006714700000000, -0.0019206100000000 ] - [ -0.0001952700000000, 0.0007971800000000, 0.0007938300000000 ] - [ 0.0013278700000000, -0.0000824500000000, -0.0022639100000000 ] - [ -0.0052144100000000, 0.0006975000000000, -0.0002672000000000 ] - [ -0.0024024600000000, -0.0013668100000000, -0.0000943800000000 ] - [ -0.0047381200000000, 0.0003499200000000, 0.0001403300000000 ] - [ -0.0005729500000000, -0.0009349600000000, 0.0058606800000000 ] - [ 0.0002533100000000, -0.0007593900000000, -0.0014295500000000 ] - [ 0.0386897200000000, 0.0132002500000000, -0.0043527200000000 ] - [ -0.0010457100000000, -0.0009676300000000, 0.0011942900000000 ] - [ -0.0080101700000000, -0.0022876600000000, -0.0049829500000000 ] - [ -0.0088568900000000, -0.0027590000000000, 0.0050800800000000 ] - [ 0.0193716600000000, -0.0012309500000000, 0.0017837800000000 ] - [ 0.0010493200000000, 0.0001172600000000, -0.0002820600000000 ] - [ -0.0011542600000000, -0.0007001200000000, -0.0000021600000000 ] - [ -0.0016332100000000, -0.0001478300000000, -0.0001563500000000 ] - [ -0.0089048400000000, -0.0031468000000000, -0.0042979000000000 ] - [ -0.0011931800000000, -0.0000050600000000, -0.0019180800000000 ] - [ 0.0015213800000000, 0.0017773100000000, -0.0035654900000000 ] - [ 0.0009443100000000, 0.0018941100000000, 0.0016847100000000 ] - [ 0.0012150900000000, 0.0007369400000000, 0.0006363800000000 ] - [ 0.0002072200000000, -0.0000639100000000, -0.0006613400000000 ] - [ 0.0004499900000000, 0.0016450700000000, 0.0016344300000000 ] - [ -0.0021937600000000, 0.0049156600000000, -0.0041501500000000 ] - [ 0.0000108800000000, 0.0005282600000000, 0.0060157100000000 ] - [ 0.0016739900000000, 0.0008105700000000, 0.0042834200000000 ] - [ 0.0004244300000000, 0.0021300900000000, -0.0032770600000000 ] - [ -0.0010411000000000, -0.0000681400000000, 0.0002655600000000 ] - [ -0.0013151100000000, 0.0046655600000000, 0.0051965600000000 ] - [ -0.0006810100000000, -0.0000074300000000, -0.0006990300000000 ] - [ -0.0021230800000000, -0.0002544100000000, 0.0020135400000000 ] - [ 0.0010345700000000, 0.0000491500000000, -0.0001927300000000 ] - [ 0.0006339300000000, 0.0030538900000000, 0.0029809000000000 ] - [ -0.0011109200000000, 0.0001933600000000, -0.0004828000000000 ] - [ -0.0015110900000000, -0.0005920200000000, -0.0010230900000000 ] - [ -0.0016210300000000, -0.0002655800000000, -0.0026562400000000 ] - [ -0.0052438900000000, 0.0015184800000000, 0.0008741200000000 ] - [ 0.0024413300000000, 0.0006806900000000, -0.0007209300000000 ] - [ 0.0001979300000000, 0.0014801600000000, -0.0052629900000000 ] - [ -0.0047490800000000, 0.0004183100000000, 0.0003342500000000 ] - [ -0.0045346200000000, 0.0009373200000000, -0.0008960900000000 ] - [ -0.0030242800000000, 0.0044744300000000, 0.0040875400000000 ] - [ -0.0016617600000000, -0.0009670200000000, 0.0007585000000000 ] - [ 0.0018754500000000, 0.0007449500000000, 0.0011770100000000 ] - [ -0.0017337800000000, 0.0004123200000000, -0.0023756800000000 ] - [ -0.0016726600000000, 0.0005363000000000, -0.0015435000000000 ] - [ -0.0002470200000000, -0.0002877700000000, 0.0005866000000000 ] - [ 0.0198032500000000, -0.0038577000000000, -0.0038439000000000 ] - [ 0.0194490100000000, -0.0021132200000000, -0.0024565000000000 ] - [ -0.0089185100000000, -0.0029011800000000, 0.0037593100000000 ] - [ -0.0002208100000000, -0.0002720200000000, -0.0055281700000000 ] - [ 0.0019497100000000, 0.0003633700000000, -0.0024864600000000 ] - [ -0.0012832500000000, -0.0001292600000000, 0.0011920100000000 ]- atom: 27 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0005512600000000, -0.0010439900000000, -0.0000544200000000 ] - [ -0.0001098400000000, 0.0001024600000000, -0.0000153700000000 ] - [ 0.0018991700000000, -0.0042464100000000, -0.0000655400000000 ] - [ -0.0005470700000000, 0.0021796400000000, 0.0000430000000000 ] - [ -0.0005507100000000, -0.0013067400000000, 0.0000563500000000 ] - [ -0.0004054700000000, -0.0002002800000000, 0.0000634800000000 ] - [ -0.0006804200000000, -0.0011514800000000, 0.0005331700000000 ] - [ -0.0001103600000000, 0.0001024200000000, 0.0000150600000000 ] - [ 0.0021235100000000, 0.0178567400000000, 0.0004132900000000 ] - [ -0.0003302900000000, 0.0001085400000000, -0.0004257800000000 ] - [ -0.0004380300000000, 0.0001690200000000, -0.0004259700000000 ] - [ -0.0003380400000000, -0.0001781300000000, 0.0000629200000000 ] - [ 0.0025679200000000, -0.0049547900000000, -0.0000551600000000 ] - [ -0.0005410700000000, 0.0021712700000000, -0.0000450100000000 ] - [ -0.0006803600000000, -0.0008858400000000, -0.0005329700000000 ] - [ 0.0005678000000000, 0.0000915100000000, 0.0004255100000000 ] - [ -0.0001717600000000, 0.0002207500000000, -0.0015495600000000 ] - [ -0.0007933600000000, 0.0001288800000000, -0.0002503000000000 ] - [ 0.0067832500000000, 0.0037153200000000, 0.0051968000000000 ] - [ 0.0003015200000000, 0.0001123400000000, -0.0000699100000000 ] - [ 0.0057086400000000, 0.0038499100000000, -0.0050696700000000 ] - [ -0.0007396000000000, -0.0000059400000000, -0.0000354800000000 ] - [ -0.0018309300000000, 0.0002469500000000, 0.0001451300000000 ] - [ 0.0008698900000000, 0.0003391400000000, 0.0016523200000000 ] - [ -0.0001133500000000, -0.0004816300000000, -0.0001695900000000 ] - [ 0.0056567400000000, -0.0118161200000000, 0.0011984000000000 ] - [ -0.0020780000000000, -0.1892152000000000, 0.0009865000000000 ] - [ -0.0017536600000000, -0.0009054300000000, -0.0008563000000000 ] - [ -0.0001121500000000, -0.0004821700000000, 0.0001687200000000 ] - [ 0.0010889800000000, -0.0003955500000000, 0.0008551900000000 ] - [ -0.0008825900000000, -0.0005285800000000, -0.0008561200000000 ] - [ 0.0056886600000000, -0.0118546100000000, -0.0012015200000000 ] - [ -0.0009671200000000, -0.0005473100000000, 0.0005578400000000 ] - [ 0.0013246900000000, 0.0022346500000000, 0.0014003000000000 ] - [ -0.0272131100000000, 0.0203328100000000, -0.0131761400000000 ] - [ 0.0001771800000000, 0.0023328300000000, 0.0003413600000000 ] - [ -0.0009178600000000, 0.0003385600000000, -0.0010212600000000 ] - [ 0.0006259300000000, 0.0012523100000000, -0.0008890800000000 ] - [ -0.0283179800000000, 0.0162136900000000, -0.0147810100000000 ] - [ -0.0010413500000000, 0.0007268000000000, -0.0004774900000000 ] - [ 0.0012597600000000, -0.0003093700000000, -0.0004354600000000 ] - [ 0.0011839400000000, 0.0009646500000000, 0.0003513600000000 ] - [ 0.0005586500000000, 0.0023837900000000, -0.0008873600000000 ] - [ 0.0000957400000000, 0.0010511000000000, -0.0002572200000000 ] - [ -0.0273174600000000, 0.0190765100000000, 0.0132344300000000 ] - [ -0.0275234800000000, 0.0162985300000000, 0.0151907800000000 ] - [ -0.0001431700000000, 0.0010979300000000, 0.0003756000000000 ] - [ -0.0016824600000000, 0.0004876000000000, 0.0005102700000000 ] - [ 0.0013644400000000, 0.0040994600000000, -0.0024522600000000 ] - [ 0.0005860700000000, 0.0036541900000000, 0.0034628200000000 ] - [ 0.0001373600000000, -0.0001089500000000, 0.0004984600000000 ] - [ 0.0111180700000000, 0.0056980200000000, 0.0031390500000000 ] - [ -0.0006507200000000, 0.0002195100000000, -0.0002399900000000 ] - [ -0.0001574200000000, 0.0001098900000000, -0.0002441500000000 ] - [ 0.0011670200000000, 0.0038195800000000, 0.0025284800000000 ] - [ -0.0000549500000000, 0.0001803600000000, -0.0002269800000000 ] - [ 0.0111581900000000, 0.0055262900000000, -0.0027409900000000 ] - [ -0.0001650400000000, 0.0003819100000000, 0.0000395300000000 ] - [ -0.0003654400000000, 0.0001108500000000, -0.0001218400000000 ] - [ 0.0003887600000000, 0.0039279300000000, -0.0033784800000000 ] - [ -0.0007370100000000, 0.0000491200000000, -0.0002393700000000 ] - [ -0.0002554100000000, 0.0004538500000000, 0.0001468900000000 ] - [ 0.0000525800000000, 0.0000618300000000, -0.0000192500000000 ] - [ -0.0000723100000000, -0.0000608500000000, -0.0002353800000000 ] - [ -0.0005950300000000, -0.0000515600000000, -0.0003921500000000 ] - [ 0.0086720000000000, 0.0024498700000000, -0.0010535800000000 ] - [ 0.0000011200000000, -0.0002138900000000, 0.0003241800000000 ] - [ 0.0017265900000000, 0.0240312400000000, 0.0040817400000000 ] - [ -0.0011172700000000, -0.0005012400000000, -0.0002406600000000 ] - [ -0.0010887400000000, 0.0003171500000000, -0.0003608700000000 ] - [ 0.0004104400000000, -0.0004444500000000, 0.0002178800000000 ] - [ -0.0006020600000000, 0.0271112300000000, -0.0134003900000000 ] - [ 0.0002627500000000, -0.0005323800000000, 0.0002892600000000 ] - [ 0.0002369800000000, -0.0014073100000000, 0.0000751400000000 ] - [ 0.0000276000000000, -0.0008916500000000, 0.0001051900000000 ] - [ -0.0002641500000000, 0.0004483400000000, 0.0002303900000000 ] - [ 0.0003961200000000, -0.0008712500000000, 0.0001780100000000 ] - [ 0.0002227900000000, 0.0000961000000000, 0.0001135600000000 ] - [ 0.0004461800000000, 0.0002286700000000, -0.0005884500000000 ] - [ 0.0004764500000000, 0.0001276800000000, -0.0004362700000000 ] - [ -0.0010601400000000, -0.0002822500000000, 0.0017432500000000 ] - [ -0.0000386300000000, -0.0001055300000000, -0.0003827800000000 ] - [ 0.0003588600000000, 0.0001052600000000, 0.0002565200000000 ] - [ -0.0001282200000000, -0.0033372300000000, 0.0016845600000000 ] - [ 0.0007611900000000, 0.0005810100000000, 0.0002835200000000 ] - [ -0.0014495700000000, 0.0003867000000000, -0.0013887900000000 ] - [ 0.0002547200000000, -0.0006223000000000, 0.0003649700000000 ] - [ 0.0009616500000000, -0.0017153500000000, 0.0004678800000000 ] - [ 0.0017244600000000, 0.0008346700000000, 0.0002202600000000 ] - [ 0.0056273800000000, -0.0009553900000000, -0.0095211900000000 ] - [ -0.0007990400000000, -0.0015040600000000, -0.0003499600000000 ] - [ 0.0021261800000000, 0.0242344600000000, -0.0045387100000000 ] - [ 0.0005848500000000, -0.0006029500000000, -0.0006560600000000 ] - [ -0.0016811200000000, -0.0001588100000000, -0.0016116600000000 ] - [ -0.0025494500000000, -0.0006434900000000, 0.0017257200000000 ] - [ 0.0008782700000000, 0.0235882100000000, -0.0139016700000000 ] - [ -0.0003561400000000, 0.0002008100000000, -0.0001951000000000 ] - [ -0.0001995600000000, -0.0009176400000000, 0.0005087600000000 ] - [ 0.0005874200000000, 0.0006325800000000, 0.0004759800000000 ] - [ -0.0022805400000000, -0.0004197100000000, -0.0017702600000000 ] - [ 0.0004365900000000, 0.0003610100000000, -0.0000618300000000 ] - [ -0.0013956000000000, -0.0013439800000000, 0.0008238300000000 ] - [ 0.0023967700000000, -0.0103168100000000, -0.0004877500000000 ] - [ 0.0001610900000000, -0.0000058500000000, -0.0004411800000000 ] - [ -0.0002696600000000, 0.0001930700000000, 0.0003098700000000 ] - [ -0.0003005100000000, -0.0023698200000000, -0.0019760800000000 ] - [ 0.0094335800000000, 0.0029193400000000, -0.0014390300000000 ] - [ 0.0042370000000000, -0.0054693400000000, -0.0087939400000000 ] - [ -0.0012499200000000, -0.0023036100000000, -0.0001013300000000 ] - [ 0.0025549500000000, -0.0119049000000000, 0.0021791100000000 ] - [ 0.0003752100000000, 0.0001730400000000, 0.0002175000000000 ] - [ 0.0086834500000000, 0.0027192100000000, 0.0015934800000000 ] - [ 0.0004690500000000, -0.0001264500000000, -0.0001024300000000 ] - [ -0.0001804000000000, -0.0003776400000000, 0.0002333000000000 ] - [ -0.0003737000000000, 0.0001332600000000, -0.0002778300000000 ] - [ 0.0027371700000000, -0.0109770500000000, -0.0024555800000000 ] - [ 0.0002251200000000, 0.0002219600000000, 0.0004637500000000 ] - [ 0.0010087300000000, 0.0001650000000000, 0.0001336000000000 ] - [ 0.0001741900000000, 0.0000698800000000, -0.0008280400000000 ] - [ 0.0002226900000000, 0.0001959500000000, 0.0002373800000000 ] - [ -0.0006175700000000, -0.0004565900000000, 0.0001067400000000 ] - [ 0.0044078300000000, -0.0045101900000000, 0.0095302200000000 ] - [ 0.0017107700000000, 0.0009050200000000, 0.0002528900000000 ] - [ 0.0005212600000000, -0.0000419000000000, -0.0000722600000000 ] - [ 0.0085516300000000, 0.0024304300000000, 0.0013350900000000 ] - [ 0.0005593500000000, -0.0001860400000000, 0.0001266800000000 ] - [ -0.0011794200000000, -0.0003927600000000, 0.0003482800000000 ] - [ 0.0002089100000000, 0.0002893500000000, -0.0005862300000000 ] - [ 0.0005871400000000, 0.0002933500000000, 0.0003793600000000 ] - [ 0.0010813800000000, -0.0002586300000000, -0.0003608400000000 ] - [ 0.0006321000000000, 0.0259121000000000, 0.0124516200000000 ] - [ 0.0004798400000000, 0.0237485100000000, 0.0145825400000000 ] - [ -0.0022704500000000, -0.0001628000000000, 0.0012203000000000 ] - [ 0.0060130400000000, -0.0003004300000000, 0.0098862800000000 ] - [ 0.0033458200000000, -0.0118476400000000, -0.0003407400000000 ] - [ 0.0009743900000000, -0.0003736900000000, -0.0007356100000000 ]- atom: 27 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0019596600000000, 0.0007180600000000, 0.0007747400000000 ] - [ 0.0000626800000000, 0.0000684400000000, 0.0017120600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0081513900000000 ] - [ -0.0001520900000000, -0.0000112800000000, -0.0037043700000000 ] - [ -0.0019596600000000, -0.0007180600000000, 0.0007747400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001465000000000 ] - [ -0.0020367100000000, -0.0006384100000000, 0.0010251300000000 ] - [ -0.0000626800000000, -0.0000684400000000, 0.0017120600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0108784000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004697000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015528900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001126200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0096372600000000 ] - [ 0.0001520900000000, 0.0000112800000000, -0.0037043700000000 ] - [ 0.0020367100000000, 0.0006384100000000, 0.0010251300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0029967900000000 ] - [ -0.0001682000000000, -0.0001413100000000, 0.0030342200000000 ] - [ 0.0020135400000000, -0.0001129400000000, -0.0005688500000000 ] - [ 0.0082376100000000, 0.0030340900000000, -0.0001688300000000 ] - [ 0.0000845200000000, 0.0000975800000000, 0.0005583100000000 ] - [ -0.0082376100000000, -0.0030340900000000, -0.0001688300000000 ] - [ -0.0000845200000000, -0.0000975800000000, 0.0005583100000000 ] - [ -0.0020135400000000, 0.0001129400000000, -0.0005688500000000 ] - [ 0.0001682000000000, 0.0001413100000000, 0.0030342200000000 ] - [ -0.0001493400000000, 0.0002471100000000, 0.0048242200000000 ] - [ -0.0010732200000000, 0.0007398900000000, -0.0118964200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.1928710300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0036682700000000 ] - [ 0.0001493400000000, -0.0002471100000000, 0.0048242200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0083514800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015956000000000 ] - [ 0.0010732200000000, -0.0007398900000000, -0.0118964200000000 ] - [ -0.0010808500000000, -0.0006407600000000, 0.0020093900000000 ] - [ 0.0017172100000000, -0.0009670900000000, 0.0081124400000000 ] - [ 0.0327651600000000, -0.0162168800000000, 0.0092059600000000 ] - [ 0.0019794400000000, 0.0004895000000000, -0.0008887000000000 ] - [ 0.0016668400000000, -0.0001256500000000, 0.0019722600000000 ] - [ -0.0016705700000000, 0.0005126800000000, -0.0012952600000000 ] - [ 0.0301640300000000, -0.0118634800000000, 0.0130827100000000 ] - [ 0.0010808500000000, 0.0006407600000000, 0.0020093900000000 ] - [ -0.0013196700000000, -0.0003775500000000, 0.0083238500000000 ] - [ 0.0013196700000000, 0.0003775500000000, 0.0083238500000000 ] - [ -0.0017172100000000, 0.0009670900000000, 0.0081124400000000 ] - [ -0.0019794400000000, -0.0004895000000000, -0.0008887000000000 ] - [ -0.0327651600000000, 0.0162168800000000, 0.0092059600000000 ] - [ -0.0301640300000000, 0.0118634800000000, 0.0130827100000000 ] - [ 0.0016705700000000, -0.0005126800000000, -0.0012952600000000 ] - [ -0.0016668400000000, 0.0001256500000000, 0.0019722600000000 ] - [ 0.0003932000000000, -0.0022184200000000, 0.0034214600000000 ] - [ 0.0000076100000000, 0.0039102100000000, 0.0045448300000000 ] - [ -0.0001730000000000, -0.0001883500000000, 0.0011894800000000 ] - [ 0.0104996000000000, 0.0056829000000000, -0.0012578500000000 ] - [ 0.0008574500000000, 0.0000037700000000, -0.0007992300000000 ] - [ 0.0001056900000000, 0.0000909100000000, 0.0000927600000000 ] - [ -0.0003932000000000, 0.0022184200000000, 0.0034214600000000 ] - [ -0.0000746000000000, -0.0003316700000000, 0.0003077400000000 ] - [ -0.0104996000000000, -0.0056829000000000, -0.0012578500000000 ] - [ 0.0004641900000000, 0.0000453200000000, -0.0000047800000000 ] - [ -0.0004641900000000, -0.0000453200000000, -0.0000047800000000 ] - [ -0.0000076100000000, -0.0039102100000000, 0.0045448300000000 ] - [ -0.0008574500000000, -0.0000037700000000, -0.0007992300000000 ] - [ 0.0000746000000000, 0.0003316700000000, 0.0003077400000000 ] - [ 0.0001730000000000, 0.0001883500000000, 0.0011894800000000 ] - [ -0.0001056900000000, -0.0000909100000000, 0.0000927600000000 ] - [ -0.0026098600000000, 0.0014927400000000, -0.0036292400000000 ] - [ -0.0125927700000000, -0.0028340900000000, 0.0051033400000000 ] - [ 0.0002724300000000, 0.0006818000000000, 0.0012793400000000 ] - [ -0.0054342200000000, 0.0001749800000000, 0.0215411200000000 ] - [ -0.0003506600000000, -0.0010357700000000, -0.0040920100000000 ] - [ 0.0003506600000000, 0.0010357700000000, -0.0040920100000000 ] - [ 0.0008690400000000, 0.0002199100000000, 0.0006019100000000 ] - [ -0.0010850000000000, -0.0130537100000000, 0.0294120800000000 ] - [ 0.0026098600000000, -0.0014927400000000, -0.0036292400000000 ] - [ -0.0008690400000000, -0.0002199100000000, 0.0006019100000000 ] - [ 0.0004533700000000, -0.0003377600000000, -0.0001546100000000 ] - [ 0.0017884800000000, -0.0009746400000000, -0.0029327700000000 ] - [ -0.0002452100000000, -0.0004365400000000, -0.0006347600000000 ] - [ 0.0002452100000000, 0.0004365400000000, -0.0006347600000000 ] - [ 0.0004538400000000, 0.0004226900000000, -0.0015005000000000 ] - [ 0.0005374200000000, 0.0001712100000000, -0.0017091100000000 ] - [ 0.0024205300000000, 0.0009239700000000, -0.0052722400000000 ] - [ -0.0011184200000000, 0.0004916100000000, 0.0009852700000000 ] - [ 0.0000077200000000, -0.0001335000000000, -0.0009680000000000 ] - [ -0.0003651100000000, 0.0014019000000000, -0.0044052400000000 ] - [ 0.0007923600000000, 0.0005511400000000, -0.0005014000000000 ] - [ -0.0024205300000000, -0.0009239700000000, -0.0052722400000000 ] - [ 0.0007353800000000, -0.0009127700000000, 0.0013430200000000 ] - [ -0.0002724300000000, -0.0006818000000000, 0.0012793400000000 ] - [ -0.0002807100000000, 0.0000531000000000, 0.0026690800000000 ] - [ 0.0051132600000000, -0.0011781900000000, -0.0068623600000000 ] - [ -0.0007654600000000, -0.0013137000000000, -0.0034531700000000 ] - [ 0.0054342200000000, -0.0001749800000000, 0.0215411200000000 ] - [ 0.0007424900000000, -0.0005879500000000, -0.0013627500000000 ] - [ -0.0002802000000000, 0.0002758400000000, 0.0021357700000000 ] - [ 0.0002802000000000, -0.0002758400000000, 0.0021357700000000 ] - [ 0.0002231800000000, -0.0150848900000000, 0.0344273200000000 ] - [ 0.0001631200000000, -0.0001088200000000, -0.0025806900000000 ] - [ -0.0007923600000000, -0.0005511400000000, -0.0005014000000000 ] - [ -0.0005297500000000, 0.0000391300000000, -0.0007417800000000 ] - [ -0.0009838400000000, -0.0006303000000000, 0.0011160000000000 ] - [ -0.0007424900000000, 0.0005879500000000, -0.0013627500000000 ] - [ -0.0014157200000000, 0.0012923200000000, -0.0059883900000000 ] - [ 0.0073434700000000, -0.0081058700000000, 0.0032742000000000 ] - [ 0.0007654600000000, 0.0013137000000000, -0.0034531700000000 ] - [ -0.0017884800000000, 0.0009746400000000, -0.0029327700000000 ] - [ 0.0003651100000000, -0.0014019000000000, -0.0044052400000000 ] - [ -0.0114077400000000, -0.0018198300000000, 0.0050529200000000 ] - [ 0.0049941900000000, -0.0046660700000000, -0.0082389400000000 ] - [ 0.0014157200000000, -0.0012923200000000, -0.0059883900000000 ] - [ -0.0063434400000000, 0.0084150000000000, -0.0023305000000000 ] - [ -0.0000077200000000, 0.0001335000000000, -0.0009680000000000 ] - [ 0.0125927700000000, 0.0028340900000000, 0.0051033400000000 ] - [ -0.0005374200000000, -0.0001712100000000, -0.0017091100000000 ] - [ 0.0004621100000000, -0.0002203600000000, 0.0002129300000000 ] - [ -0.0001631200000000, 0.0001088200000000, -0.0025806900000000 ] - [ 0.0063434400000000, -0.0084150000000000, -0.0023305000000000 ] - [ -0.0009457400000000, 0.0000409700000000, -0.0016545900000000 ] - [ -0.0004538400000000, -0.0004226900000000, -0.0015005000000000 ] - [ -0.0004533700000000, 0.0003377600000000, -0.0001546100000000 ] - [ -0.0007353800000000, 0.0009127700000000, 0.0013430200000000 ] - [ 0.0011228500000000, 0.0008634100000000, -0.0036186700000000 ] - [ -0.0049941900000000, 0.0046660700000000, -0.0082389400000000 ] - [ 0.0002807100000000, -0.0000531000000000, 0.0026690800000000 ] - [ 0.0011184200000000, -0.0004916100000000, 0.0009852700000000 ] - [ 0.0114077400000000, 0.0018198300000000, 0.0050529200000000 ] - [ 0.0005297500000000, -0.0000391300000000, -0.0007417800000000 ] - [ -0.0011228500000000, -0.0008634100000000, -0.0036186700000000 ] - [ -0.0004621100000000, 0.0002203600000000, 0.0002129300000000 ] - [ -0.0011177600000000, 0.0005282000000000, -0.0013752000000000 ] - [ 0.0009457400000000, -0.0000409700000000, -0.0016545900000000 ] - [ 0.0010850000000000, 0.0130537100000000, 0.0294120800000000 ] - [ -0.0002231800000000, 0.0150848900000000, 0.0344273200000000 ] - [ 0.0009838400000000, 0.0006303000000000, 0.0011160000000000 ] - [ -0.0051132600000000, 0.0011781900000000, -0.0068623600000000 ] - [ -0.0073434700000000, 0.0081058700000000, 0.0032742000000000 ] - [ 0.0011177600000000, -0.0005282000000000, -0.0013752000000000 ]- atom: 27 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0019646300000000, -0.0004529800000000, -0.0007710500000000 ] - [ -0.0000602700000000, -0.0000677700000000, -0.0017107700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0082095000000000 ] - [ 0.0001561800000000, 0.0000203800000000, 0.0036994700000000 ] - [ 0.0019646300000000, 0.0004529800000000, -0.0007710500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000172300000000 ] - [ 0.0020306100000000, 0.0003734600000000, -0.0010255700000000 ] - [ 0.0000602700000000, 0.0000677700000000, -0.0017107700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0117341200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013216800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006983600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000124600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0098718000000000 ] - [ -0.0001561800000000, -0.0000203800000000, 0.0036994700000000 ] - [ -0.0020306100000000, -0.0003734600000000, -0.0010255700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0021421600000000 ] - [ -0.0008755800000000, 0.0000224400000000, -0.0029301500000000 ] - [ -0.0009739500000000, -0.0000055800000000, 0.0004656800000000 ] - [ -0.0071564400000000, -0.0031180300000000, 0.0002525100000000 ] - [ 0.0009548800000000, 0.0000212000000000, -0.0006639800000000 ] - [ 0.0071564400000000, 0.0031180300000000, 0.0002525100000000 ] - [ -0.0009548800000000, -0.0000212000000000, -0.0006639800000000 ] - [ 0.0009739500000000, 0.0000055800000000, 0.0004656800000000 ] - [ 0.0008755800000000, -0.0000224400000000, -0.0029301500000000 ] - [ 0.0001426100000000, -0.0002431700000000, -0.0048209500000000 ] - [ 0.0010062700000000, -0.0006978500000000, 0.0118729400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.1935516400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0019523000000000 ] - [ -0.0001426100000000, 0.0002431700000000, -0.0048209500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0066344800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0033068300000000 ] - [ -0.0010062700000000, 0.0006978500000000, 0.0118729400000000 ] - [ 0.0011503700000000, -0.0006316000000000, -0.0019326700000000 ] - [ -0.0009454000000000, 0.0008243200000000, -0.0075823200000000 ] - [ -0.0326596700000000, 0.0173862600000000, -0.0092207000000000 ] - [ -0.0018933100000000, 0.0007907300000000, 0.0009785800000000 ] - [ -0.0009031100000000, -0.0000220900000000, -0.0024757400000000 ] - [ 0.0024420300000000, -0.0003597200000000, 0.0007744000000000 ] - [ -0.0309797300000000, 0.0118385600000000, -0.0126281300000000 ] - [ -0.0011503700000000, 0.0006316000000000, -0.0019326700000000 ] - [ 0.0013995000000000, -0.0008949500000000, -0.0084081200000000 ] - [ -0.0013995000000000, 0.0008949500000000, -0.0084081200000000 ] - [ 0.0009454000000000, -0.0008243200000000, -0.0075823200000000 ] - [ 0.0018933100000000, -0.0007907300000000, 0.0009785800000000 ] - [ 0.0326596700000000, -0.0173862600000000, -0.0092207000000000 ] - [ 0.0309797300000000, -0.0118385600000000, -0.0126281300000000 ] - [ -0.0024420300000000, 0.0003597200000000, 0.0007744000000000 ] - [ 0.0009031100000000, 0.0000220900000000, -0.0024757400000000 ] - [ -0.0001971600000000, 0.0024797100000000, -0.0033254500000000 ] - [ 0.0001890000000000, -0.0041865200000000, -0.0044627300000000 ] - [ 0.0002567300000000, 0.0000167900000000, -0.0007087300000000 ] - [ -0.0104090200000000, -0.0055656800000000, 0.0017745800000000 ] - [ -0.0007713400000000, 0.0001674800000000, 0.0003175500000000 ] - [ -0.0001911200000000, 0.0000812000000000, -0.0005736600000000 ] - [ 0.0001971600000000, -0.0024797100000000, -0.0033254500000000 ] - [ 0.0002752700000000, 0.0000556200000000, -0.0003847600000000 ] - [ 0.0104090200000000, 0.0055656800000000, 0.0017745800000000 ] - [ -0.0002637800000000, 0.0002237600000000, -0.0000804600000000 ] - [ 0.0002637800000000, -0.0002237600000000, -0.0000804600000000 ] - [ -0.0001890000000000, 0.0041865200000000, -0.0044627300000000 ] - [ 0.0007713400000000, -0.0001674800000000, 0.0003175500000000 ] - [ -0.0002752700000000, -0.0000556200000000, -0.0003847600000000 ] - [ -0.0002567300000000, -0.0000167900000000, -0.0007087300000000 ] - [ 0.0001911200000000, -0.0000812000000000, -0.0005736600000000 ] - [ 0.0017435400000000, -0.0010092300000000, 0.0035193500000000 ] - [ 0.0125635900000000, 0.0025707200000000, -0.0045463300000000 ] - [ -0.0012307600000000, 0.0008102300000000, -0.0004908600000000 ] - [ 0.0056786600000000, -0.0000533500000000, -0.0219708400000000 ] - [ 0.0003231100000000, 0.0002172700000000, 0.0034921600000000 ] - [ -0.0003231100000000, -0.0002172700000000, 0.0034921600000000 ] - [ -0.0006966100000000, 0.0007486100000000, -0.0003085300000000 ] - [ -0.0001594300000000, 0.0143959000000000, -0.0302283900000000 ] - [ -0.0017435400000000, 0.0010092300000000, 0.0035193500000000 ] - [ 0.0006966100000000, -0.0007486100000000, -0.0003085300000000 ] - [ -0.0006001700000000, -0.0006256800000000, -0.0005667200000000 ] - [ -0.0017882100000000, 0.0012331200000000, 0.0034736200000000 ] - [ 0.0004193900000000, -0.0005377500000000, 0.0009207100000000 ] - [ -0.0004193900000000, 0.0005377500000000, 0.0009207100000000 ] - [ -0.0010188000000000, -0.0003603600000000, 0.0010460600000000 ] - [ -0.0005305000000000, 0.0000840500000000, 0.0011701000000000 ] - [ -0.0020205100000000, -0.0015820800000000, 0.0056165600000000 ] - [ 0.0005550700000000, -0.0005524600000000, -0.0014355800000000 ] - [ -0.0000222100000000, 0.0000622000000000, 0.0014438700000000 ] - [ 0.0005366100000000, -0.0023806100000000, 0.0041143900000000 ] - [ 0.0001699300000000, 0.0009382400000000, 0.0012920100000000 ] - [ 0.0020205100000000, 0.0015820800000000, 0.0056165600000000 ] - [ -0.0007066700000000, 0.0000964500000000, -0.0007425700000000 ] - [ 0.0012307600000000, -0.0008102300000000, -0.0004908600000000 ] - [ 0.0002968000000000, -0.0001258100000000, -0.0021923900000000 ] - [ -0.0055014400000000, 0.0005369700000000, 0.0072046800000000 ] - [ -0.0001936500000000, -0.0001747700000000, 0.0026639000000000 ] - [ -0.0056786600000000, 0.0000533500000000, -0.0219708400000000 ] - [ -0.0005934500000000, -0.0003797400000000, 0.0006551700000000 ] - [ 0.0011547200000000, 0.0002099600000000, -0.0020135000000000 ] - [ -0.0011547200000000, -0.0002099600000000, -0.0020135000000000 ] - [ 0.0004067600000000, 0.0142274100000000, -0.0332962400000000 ] - [ -0.0001428100000000, 0.0001785400000000, 0.0021051400000000 ] - [ -0.0001699300000000, -0.0009382400000000, 0.0012920100000000 ] - [ 0.0005525900000000, 0.0007771400000000, 0.0013440000000000 ] - [ 0.0009648400000000, 0.0003687300000000, -0.0016724400000000 ] - [ 0.0005934500000000, 0.0003797400000000, 0.0006551700000000 ] - [ 0.0012761700000000, -0.0003144200000000, 0.0067022500000000 ] - [ -0.0082933600000000, 0.0095725000000000, -0.0040690500000000 ] - [ 0.0001936500000000, 0.0001747700000000, 0.0026639000000000 ] - [ 0.0017882100000000, -0.0012331200000000, 0.0034736200000000 ] - [ -0.0005366100000000, 0.0023806100000000, 0.0041143900000000 ] - [ 0.0122866900000000, 0.0023158600000000, -0.0051683900000000 ] - [ -0.0051621100000000, 0.0036964000000000, 0.0089874700000000 ] - [ -0.0012761700000000, 0.0003144200000000, 0.0067022500000000 ] - [ 0.0061553700000000, -0.0093700800000000, 0.0020352000000000 ] - [ 0.0000222100000000, -0.0000622000000000, 0.0014438700000000 ] - [ -0.0125635900000000, -0.0025707200000000, -0.0045463300000000 ] - [ 0.0005305000000000, -0.0000840500000000, 0.0011701000000000 ] - [ -0.0008510800000000, -0.0004464400000000, -0.0005682900000000 ] - [ 0.0001428100000000, -0.0001785400000000, 0.0021051400000000 ] - [ -0.0061553700000000, 0.0093700800000000, 0.0020352000000000 ] - [ 0.0000893300000000, 0.0004392500000000, 0.0017564900000000 ] - [ 0.0010188000000000, 0.0003603600000000, 0.0010460600000000 ] - [ 0.0006001700000000, 0.0006256800000000, -0.0005667200000000 ] - [ 0.0007066700000000, -0.0000964500000000, -0.0007425700000000 ] - [ -0.0005586000000000, -0.0009258800000000, 0.0040670300000000 ] - [ 0.0051621100000000, -0.0036964000000000, 0.0089874700000000 ] - [ -0.0002968000000000, 0.0001258100000000, -0.0021923900000000 ] - [ -0.0005550700000000, 0.0005524600000000, -0.0014355800000000 ] - [ -0.0122866900000000, -0.0023158600000000, -0.0051683900000000 ] - [ -0.0005525900000000, -0.0007771400000000, 0.0013440000000000 ] - [ 0.0005586000000000, 0.0009258800000000, 0.0040670300000000 ] - [ 0.0008510800000000, 0.0004464400000000, -0.0005682900000000 ] - [ 0.0007300600000000, 0.0001394700000000, 0.0010075700000000 ] - [ -0.0000893300000000, -0.0004392500000000, 0.0017564900000000 ] - [ 0.0001594300000000, -0.0143959000000000, -0.0302283900000000 ] - [ -0.0004067600000000, -0.0142274100000000, -0.0332962400000000 ] - [ -0.0009648400000000, -0.0003687300000000, -0.0016724400000000 ] - [ 0.0055014400000000, -0.0005369700000000, 0.0072046800000000 ] - [ 0.0082933600000000, -0.0095725000000000, -0.0040690500000000 ] - [ -0.0007300600000000, -0.0001394700000000, 0.0010075700000000 ]- atom: 33 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0007757400000000, -0.0000868700000000, 0.0010311000000000 ] - [ 0.0025863800000000, -0.0000105500000000, -0.0009249800000000 ] - [ 0.0024690300000000, -0.0000896100000000, -0.0007834500000000 ] - [ -0.0008293700000000, 0.0001779200000000, -0.0003814600000000 ] - [ 0.0008880700000000, -0.0001980900000000, -0.0004493500000000 ] - [ -0.0008515700000000, 0.0002522600000000, -0.0009726900000000 ] - [ 0.0022451600000000, -0.0075900400000000, -0.0122788500000000 ] - [ 0.0020517600000000, 0.0092538600000000, 0.0096648500000000 ] - [ 0.0008408700000000, 0.0001750800000000, 0.0001228900000000 ] - [ -0.0007254200000000, -0.0071071500000000, -0.0083758100000000 ] - [ -0.0010143900000000, -0.0002347500000000, 0.0000788600000000 ] - [ -0.0003535200000000, 0.0067397500000000, 0.0102817900000000 ] - [ 0.0008670400000000, 0.0000976100000000, 0.0003610700000000 ] - [ 0.0008619200000000, -0.0002395700000000, 0.0004733500000000 ] - [ 0.0023820100000000, 0.0003096600000000, 0.0008047100000000 ] - [ 0.0026636600000000, -0.0000380900000000, 0.0011914200000000 ] - [ 0.0007025500000000, 0.0002615100000000, 0.0023674900000000 ] - [ -0.0002522100000000, -0.0000621100000000, -0.0000200500000000 ] - [ 0.0021607000000000, -0.0000734800000000, 0.0000865500000000 ] - [ -0.0065951800000000, -0.0003621200000000, -0.0001474200000000 ] - [ -0.0003279900000000, 0.0001804300000000, -0.0016288800000000 ] - [ 0.0130592400000000, -0.0007011000000000, 0.0007891500000000 ] - [ -0.0005402100000000, 0.0000378500000000, -0.0003569800000000 ] - [ 0.0022568900000000, 0.0000516600000000, 0.0000117100000000 ] - [ 0.0090028600000000, -0.0257701700000000, 0.0318263300000000 ] - [ 0.0021778800000000, 0.0012211700000000, 0.0012084400000000 ] - [ 0.0021800100000000, -0.0010054900000000, -0.0002644500000000 ] - [ -0.0024255300000000, 0.0012171400000000, 0.0005084600000000 ] - [ 0.0088440600000000, 0.0002112700000000, -0.0020918200000000 ] - [ 0.0093051500000000, -0.0001384300000000, 0.0027963700000000 ] - [ 0.0042616700000000, 0.0272084100000000, -0.0335288300000000 ] - [ -0.0021475600000000, -0.0009464500000000, -0.0015343400000000 ] - [ -0.5860889800000000, 0.0031279300000000, 0.0003489900000000 ] - [ 0.0093325100000000, -0.0001083300000000, 0.0003676300000000 ] - [ 0.0041008600000000, 0.0006668900000000, -0.0000550000000000 ] - [ -0.0023657200000000, 0.0006145200000000, 0.0001572300000000 ] - [ -0.0239297700000000, -0.0005213200000000, 0.0010096600000000 ] - [ -0.0047563100000000, -0.0001558800000000, -0.0015418200000000 ] - [ -0.0003174800000000, -0.0002372000000000, 0.0015023000000000 ] - [ 0.0079393800000000, -0.0034562900000000, 0.0051194500000000 ] - [ 0.0058120500000000, -0.0007096900000000, -0.0000638400000000 ] - [ 0.0021325600000000, 0.0014145700000000, 0.0035527000000000 ] - [ 0.0076455500000000, 0.0038706800000000, -0.0028403700000000 ] - [ -0.0002262900000000, -0.0003286300000000, -0.0012538200000000 ] - [ 0.0010279900000000, -0.0013125400000000, -0.0094851400000000 ] - [ 0.0027049500000000, 0.0000723800000000, 0.0002098800000000 ] - [ -0.0000346800000000, -0.0009244300000000, 0.0102625400000000 ] - [ 0.0011885300000000, -0.0002653200000000, -0.0034215600000000 ] - [ 0.0000483500000000, -0.0005280700000000, 0.0009510300000000 ] - [ 0.0026383000000000, -0.0008342300000000, -0.0029249500000000 ] - [ 0.0060912800000000, 0.0001999300000000, 0.0013044400000000 ] - [ 0.0000540700000000, 0.0001754000000000, 0.0002274700000000 ] - [ 0.0000374000000000, -0.0000800400000000, 0.0002101100000000 ] - [ 0.0020316000000000, 0.0003245900000000, -0.0003540200000000 ] - [ 0.0000795400000000, -0.0000772800000000, 0.0000910100000000 ] - [ 0.0001219600000000, 0.0008298700000000, -0.0013935000000000 ] - [ 0.0003220400000000, -0.0000883300000000, 0.0002560100000000 ] - [ 0.0003815400000000, 0.0015858400000000, 0.0025594100000000 ] - [ 0.0027245700000000, -0.0011377300000000, 0.0000479400000000 ] - [ 0.0007104700000000, -0.0000437200000000, 0.0002172000000000 ] - [ -0.0007543000000000, -0.0000835400000000, -0.0002303500000000 ] - [ -0.0003551000000000, 0.0003752200000000, 0.0002273900000000 ] - [ 0.0014413800000000, 0.0000983600000000, 0.0002394200000000 ] - [ 0.0007720900000000, -0.0002776800000000, -0.0018429000000000 ] - [ -0.0063218900000000, 0.0013020500000000, -0.0013142900000000 ] - [ -0.0021278500000000, -0.0008903200000000, 0.0002587000000000 ] - [ -0.0004146700000000, 0.0007923900000000, 0.0004568300000000 ] - [ -0.0001021000000000, 0.0001660100000000, 0.0002644500000000 ] - [ -0.0040842300000000, -0.0015512000000000, -0.0017847200000000 ] - [ -0.0019320400000000, 0.0004628900000000, -0.0014851500000000 ] - [ 0.0010205900000000, 0.0013251900000000, -0.0000091000000000 ] - [ -0.0010371700000000, 0.0002248300000000, 0.0000832800000000 ] - [ -0.0040937700000000, 0.0078640800000000, 0.0000404000000000 ] - [ -0.0002830100000000, -0.0004093800000000, -0.0029764800000000 ] - [ -0.0001278500000000, -0.0010216100000000, 0.0011931600000000 ] - [ -0.0040497500000000, 0.0013735800000000, 0.0017315800000000 ] - [ 0.0041436200000000, -0.0005346700000000, -0.0001927300000000 ] - [ -0.0006133200000000, 0.0006702500000000, 0.0019604900000000 ] - [ 0.0001325200000000, -0.0012614100000000, 0.0024232300000000 ] - [ 0.2174654400000000, -0.1025794400000000, 0.0570075100000000 ] - [ -0.0014899800000000, -0.0006756200000000, 0.0031603200000000 ] - [ 0.0020950200000000, -0.0008285400000000, -0.0031267500000000 ] - [ 0.0123095700000000, 0.0010256500000000, -0.0009207300000000 ] - [ -0.0025669900000000, -0.0003345300000000, -0.0002622100000000 ] - [ 0.0637652800000000, 0.0026250000000000, 0.0008226300000000 ] - [ -0.0027925800000000, 0.0003673500000000, 0.0001433800000000 ] - [ 0.0008190700000000, -0.0006911000000000, 0.0003051100000000 ] - [ 0.0013000000000000, -0.0007543200000000, 0.0003694700000000 ] - [ 0.0000258100000000, -0.0003437400000000, -0.0003026300000000 ] - [ -0.0012645500000000, -0.0003437900000000, 0.0002190100000000 ] - [ -0.0015888100000000, -0.0017966600000000, -0.0023477000000000 ] - [ -0.0017699500000000, 0.0000038600000000, -0.0002689600000000 ] - [ 0.0532038900000000, 0.0004223600000000, -0.0001031500000000 ] - [ -0.0021106200000000, -0.0007277900000000, -0.0032624600000000 ] - [ 0.0018610800000000, 0.0003118800000000, 0.0002249100000000 ] - [ -0.0022106000000000, 0.0010671200000000, -0.0002276600000000 ] - [ -0.0094433500000000, 0.0018760300000000, -0.0046880000000000 ] - [ -0.0057399800000000, 0.0031975300000000, 0.0002699400000000 ] - [ -0.0044184000000000, -0.0098750200000000, -0.0002582800000000 ] - [ 0.0012791100000000, 0.0002866100000000, -0.0000066600000000 ] - [ -0.0014782000000000, 0.0001906100000000, -0.0044872400000000 ] - [ -0.0003746600000000, 0.0005182300000000, -0.0018142800000000 ] - [ -0.0006532800000000, -0.0001010600000000, 0.0019551000000000 ] - [ -0.0014985100000000, 0.0007267600000000, -0.0003714600000000 ] - [ -0.0001525800000000, 0.0013006400000000, -0.0023443500000000 ] - [ -0.0046183700000000, -0.0020590900000000, 0.0016624100000000 ] - [ 0.0011529800000000, 0.0004354200000000, -0.0000114900000000 ] - [ -0.0031873800000000, -0.0001193200000000, 0.0075168000000000 ] - [ -0.0010775900000000, -0.0005142500000000, 0.0003199800000000 ] - [ -0.0000834300000000, -0.0001612500000000, -0.0006998900000000 ] - [ -0.0083031200000000, -0.0022382300000000, 0.0048971500000000 ] - [ 0.0014859600000000, 0.0009380800000000, 0.0030416200000000 ] - [ -0.0050533300000000, 0.0021982900000000, 0.0003529500000000 ] - [ 0.0044887800000000, 0.0002070300000000, 0.0008477600000000 ] - [ -0.0039902100000000, -0.0000683500000000, -0.0001848700000000 ] - [ -0.0005919600000000, 0.0004403200000000, -0.0001656000000000 ] - [ 0.0085406900000000, -0.0027105800000000, -0.0152163500000000 ] - [ 0.0110870600000000, 0.0028783200000000, 0.0144177500000000 ] - [ 0.0010003400000000, 0.0003401700000000, -0.0005525500000000 ] - [ 0.0013520200000000, -0.0000056900000000, 0.0000391200000000 ] - [ -0.0054177300000000, -0.0013919100000000, 0.0016690600000000 ] - [ -0.0016278900000000, 0.0005573400000000, 0.0002831000000000 ] - [ 0.0019436800000000, -0.0000062900000000, 0.0002431800000000 ] - [ 0.0029552400000000, -0.0006802300000000, 0.0001945300000000 ] - [ -0.0017375900000000, -0.0005070000000000, -0.0004121200000000 ] - [ 0.2218528900000000, 0.0942522900000000, -0.0561804700000000 ] - [ -0.0052667500000000, -0.0016548200000000, -0.0010542800000000 ] - [ -0.0038383300000000, 0.0010675000000000, -0.0083501700000000 ] - [ 0.0048115100000000, 0.0004699700000000, -0.0003199000000000 ] - [ -0.0011888900000000, -0.0007631100000000, 0.0014306600000000 ] - [ -0.0010530700000000, 0.0003307600000000, 0.0006219100000000 ] - [ -0.0021975600000000, 0.0009398400000000, 0.0021556800000000 ] - [ -0.0005551200000000, -0.0001439400000000, -0.0002611900000000 ] - [ -0.0000640900000000, 0.0002670800000000, -0.0011071600000000 ] - [ -0.0008816500000000, -0.0007014200000000, -0.0004004000000000 ] - [ -0.0000960200000000, 0.0000949300000000, 0.0015684900000000 ]- atom: 33 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0007725500000000, 0.0003509400000000, -0.0010304000000000 ] - [ -0.0025902200000000, 0.0000106800000000, 0.0009318900000000 ] - [ -0.0024681000000000, 0.0000862900000000, 0.0006556200000000 ] - [ 0.0008203300000000, -0.0001758800000000, 0.0003862900000000 ] - [ -0.0008865500000000, -0.0000669100000000, 0.0004504500000000 ] - [ 0.0008553100000000, -0.0002528600000000, 0.0010993000000000 ] - [ -0.0022571200000000, 0.0072372800000000, 0.0121976800000000 ] - [ -0.0020348700000000, -0.0091807500000000, -0.0095589800000000 ] - [ -0.0008420200000000, -0.0001747800000000, 0.0007269700000000 ] - [ 0.0007369500000000, 0.0071450800000000, 0.0075938500000000 ] - [ 0.0010247400000000, 0.0002368500000000, -0.0009265800000000 ] - [ 0.0003894000000000, -0.0067980300000000, -0.0102072400000000 ] - [ -0.0008692500000000, -0.0000981900000000, -0.0004861700000000 ] - [ -0.0008607500000000, 0.0002402100000000, -0.0004760700000000 ] - [ -0.0023851500000000, -0.0000484800000000, -0.0008069200000000 ] - [ -0.0026609800000000, 0.0000387300000000, -0.0003338500000000 ] - [ -0.0017467800000000, -0.0003791700000000, -0.0022581300000000 ] - [ 0.0012937300000000, -0.0000563300000000, -0.0000823500000000 ] - [ -0.0011202200000000, -0.0000438700000000, 0.0000157200000000 ] - [ 0.0076359400000000, 0.0005115200000000, 0.0000158000000000 ] - [ -0.0007212600000000, -0.0000605000000000, 0.0017294700000000 ] - [ -0.0142147400000000, 0.0005726000000000, -0.0008841400000000 ] - [ -0.0004981100000000, 0.0000800000000000, 0.0002520900000000 ] - [ -0.0012156600000000, 0.0000670800000000, 0.0000955000000000 ] - [ -0.0089491300000000, 0.0256462900000000, -0.0317670000000000 ] - [ -0.0021729700000000, -0.0012249500000000, -0.0012168000000000 ] - [ -0.0021866100000000, 0.0010037700000000, 0.0019683800000000 ] - [ 0.0024460000000000, -0.0012278700000000, -0.0022124200000000 ] - [ -0.0088464800000000, -0.0002136800000000, 0.0021049600000000 ] - [ -0.0093032400000000, 0.0001347100000000, -0.0010753300000000 ] - [ -0.0043113600000000, -0.0273211600000000, 0.0318931000000000 ] - [ 0.0021297600000000, 0.0009367200000000, 0.0015416900000000 ] - [ 0.5870457300000000, 0.0140889200000000, -0.0110563000000000 ] - [ -0.0085720700000000, -0.0000394200000000, 0.0001420900000000 ] - [ -0.0040267400000000, 0.0006095600000000, -0.0000335300000000 ] - [ 0.0024418900000000, 0.0006570600000000, -0.0000762400000000 ] - [ 0.0246890300000000, 0.0004039100000000, -0.0015397300000000 ] - [ 0.0055205600000000, 0.0002558000000000, 0.0010593500000000 ] - [ -0.0004573300000000, 0.0000883300000000, -0.0009885500000000 ] - [ -0.0079814400000000, 0.0048007300000000, -0.0050623600000000 ] - [ -0.0057383000000000, -0.0005653100000000, -0.0000090200000000 ] - [ -0.0022240700000000, -0.0001329600000000, -0.0036278200000000 ] - [ -0.0084487500000000, -0.0036562900000000, 0.0033659200000000 ] - [ 0.0001606700000000, -0.0009458600000000, 0.0013354900000000 ] - [ -0.0011248100000000, 0.0000341900000000, 0.0093472900000000 ] - [ -0.0019409400000000, 0.0000772300000000, 0.0003040000000000 ] - [ -0.0007050900000000, 0.0007912200000000, -0.0108471600000000 ] - [ -0.0019371300000000, 0.0004186300000000, 0.0029141000000000 ] - [ 0.0001508900000000, 0.0007992900000000, -0.0008678300000000 ] - [ -0.0024202900000000, 0.0005658700000000, 0.0029956700000000 ] - [ -0.0059913900000000, -0.0003702100000000, -0.0008249600000000 ] - [ 0.0000293700000000, -0.0000042500000000, 0.0002522000000000 ] - [ 0.0000513100000000, 0.0002514500000000, -0.0006907400000000 ] - [ -0.0021167300000000, -0.0001791500000000, -0.0001008200000000 ] - [ -0.0002794900000000, -0.0001940800000000, -0.0000079900000000 ] - [ 0.0000790400000000, -0.0011045900000000, 0.0013141800000000 ] - [ -0.0004071700000000, -0.0000825500000000, 0.0002231200000000 ] - [ -0.0001802300000000, -0.0013127500000000, -0.0026471900000000 ] - [ -0.0029406400000000, 0.0008225200000000, -0.0000037200000000 ] - [ -0.0009106300000000, 0.0003192200000000, -0.0001385800000000 ] - [ 0.0006696000000000, -0.0000843600000000, -0.0002361900000000 ] - [ 0.0001557100000000, -0.0001082300000000, -0.0003141100000000 ] - [ -0.0015268400000000, 0.0000725000000000, 0.0002402600000000 ] - [ -0.0006886900000000, 0.0001083300000000, 0.0013696300000000 ] - [ 0.0054704500000000, -0.0008207700000000, 0.0012094300000000 ] - [ 0.0021324700000000, 0.0006354000000000, 0.0002836400000000 ] - [ -0.0005499100000000, 0.0007022200000000, 0.0003364600000000 ] - [ 0.0001277600000000, -0.0002332800000000, -0.0007397700000000 ] - [ 0.0040571600000000, 0.0007318600000000, 0.0011782200000000 ] - [ 0.0019659300000000, 0.0003588100000000, 0.0008768300000000 ] - [ -0.0008417000000000, -0.0002720400000000, 0.0002007200000000 ] - [ 0.0004782200000000, -0.0002896200000000, 0.0003746700000000 ] - [ 0.0050015900000000, -0.0083957400000000, -0.0001646500000000 ] - [ 0.0001038600000000, -0.0005653400000000, 0.0032796500000000 ] - [ -0.0000233900000000, 0.0000583300000000, -0.0019125800000000 ] - [ 0.0040561900000000, -0.0011196000000000, -0.0011964100000000 ] - [ -0.0039703100000000, -0.0004363000000000, 0.0004979600000000 ] - [ 0.0004362400000000, 0.0002948200000000, -0.0016745600000000 ] - [ -0.0007114900000000, 0.0013217900000000, -0.0028752800000000 ] - [ -0.2071929800000000, 0.0948700900000000, -0.0528808600000000 ] - [ 0.0018886500000000, 0.0000026200000000, -0.0027973900000000 ] - [ -0.0026863000000000, 0.0007715200000000, 0.0026856500000000 ] - [ -0.0123289800000000, -0.0010665100000000, 0.0013716600000000 ] - [ 0.0027408100000000, -0.0006344400000000, -0.0000268900000000 ] - [ -0.0628766900000000, -0.0032878300000000, -0.0007490700000000 ] - [ 0.0024059800000000, 0.0002991000000000, 0.0002170700000000 ] - [ -0.0007994800000000, -0.0001254600000000, 0.0002961800000000 ] - [ -0.0003405200000000, -0.0007410900000000, 0.0004199300000000 ] - [ -0.0000179000000000, 0.0002767500000000, 0.0007791000000000 ] - [ 0.0008770000000000, -0.0003221000000000, 0.0001383400000000 ] - [ 0.0006325600000000, 0.0002952300000000, 0.0015484800000000 ] - [ 0.0017538000000000, 0.0000650200000000, -0.0002046900000000 ] - [ -0.0530531500000000, -0.0014781100000000, 0.0009488200000000 ] - [ 0.0029697400000000, 0.0012087800000000, 0.0033814400000000 ] - [ -0.0026972300000000, -0.0007737700000000, -0.0001381800000000 ] - [ 0.0021865000000000, -0.0002493300000000, -0.0003717100000000 ] - [ 0.0094873800000000, -0.0017995400000000, 0.0042203500000000 ] - [ 0.0047946100000000, -0.0047681500000000, 0.0005220800000000 ] - [ 0.0044081300000000, 0.0106497300000000, 0.0008370800000000 ] - [ -0.0012708600000000, -0.0005399900000000, -0.0005344300000000 ] - [ 0.0013211300000000, 0.0007660800000000, 0.0037776500000000 ] - [ 0.0002306500000000, 0.0004452200000000, 0.0025289400000000 ] - [ -0.0002991800000000, 0.0015919200000000, -0.0027374500000000 ] - [ 0.0024596300000000, 0.0007702200000000, -0.0004251300000000 ] - [ 0.0001591700000000, -0.0015582500000000, 0.0028856700000000 ] - [ 0.0044289400000000, 0.0029661800000000, -0.0019548500000000 ] - [ -0.0002866800000000, 0.0000463300000000, -0.0000923500000000 ] - [ 0.0030239000000000, -0.0008451300000000, -0.0067529400000000 ] - [ 0.0012261500000000, -0.0004501100000000, 0.0003940100000000 ] - [ -0.0000858200000000, -0.0008055100000000, 0.0004093700000000 ] - [ 0.0082915000000000, 0.0023251600000000, -0.0044265400000000 ] - [ -0.0014691100000000, -0.0006745500000000, -0.0024918300000000 ] - [ 0.0050442300000000, -0.0024654200000000, -0.0008923900000000 ] - [ -0.0048730200000000, -0.0008722900000000, -0.0012253800000000 ] - [ 0.0039742200000000, 0.0000009500000000, -0.0002940100000000 ] - [ 0.0007649100000000, 0.0005265100000000, -0.0001252900000000 ] - [ -0.0093773900000000, 0.0031947000000000, 0.0152931000000000 ] - [ -0.0105492800000000, -0.0029420500000000, -0.0148928100000000 ] - [ -0.0008536200000000, 0.0006285900000000, -0.0001622200000000 ] - [ -0.0013839600000000, 0.0008269500000000, 0.0005622500000000 ] - [ 0.0059812600000000, 0.0013299500000000, -0.0012167300000000 ] - [ 0.0017762500000000, 0.0004058400000000, 0.0004397500000000 ] - [ -0.0019615900000000, 0.0000750000000000, 0.0002238600000000 ] - [ -0.0024141000000000, 0.0007615400000000, -0.0006650900000000 ] - [ 0.0008772900000000, 0.0000266200000000, 0.0003102000000000 ] - [ -0.2329262100000000, -0.1030545400000000, 0.0619194800000000 ] - [ 0.0047087000000000, 0.0017081300000000, 0.0015039000000000 ] - [ 0.0042475400000000, -0.0004011600000000, 0.0080542000000000 ] - [ -0.0051997100000000, 0.0001896100000000, -0.0000335100000000 ] - [ 0.0020412300000000, 0.0002846700000000, -0.0013348200000000 ] - [ 0.0016201900000000, -0.0002677900000000, -0.0001663800000000 ] - [ 0.0022266300000000, -0.0017556400000000, -0.0027471800000000 ] - [ 0.0005443500000000, 0.0003970600000000, -0.0002747600000000 ] - [ 0.0004565700000000, 0.0003985200000000, 0.0014639100000000 ] - [ 0.0018428000000000, -0.0007950200000000, -0.0003900300000000 ] - [ 0.0004800700000000, -0.0007614700000000, -0.0019287100000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000572800000000, 0.0004374800000000, -0.0003225500000000 ] - [ -0.0002779000000000, -0.0003447200000000, 0.0001826900000000 ] - [ -0.0001369800000000, 0.0002321700000000, 0.0001526500000000 ] - [ 0.0001773600000000, -0.0000398900000000, -0.0001708100000000 ] - [ -0.0000442600000000, -0.0000673600000000, -0.0001802300000000 ] - [ 0.0000008400000000, 0.0003056800000000, -0.0002787900000000 ] - [ -0.0052672900000000, 0.0036916000000000, 0.0087998800000000 ] - [ 0.0107422900000000, -0.0014154900000000, 0.0076876300000000 ] - [ 0.0000560400000000, -0.0000132500000000, 0.0004044800000000 ] - [ -0.0091738000000000, -0.0013118600000000, 0.0076376600000000 ] - [ -0.0001684500000000, -0.0000367200000000, -0.0006674400000000 ] - [ 0.0040651100000000, 0.0049853600000000, 0.0079668400000000 ] - [ 0.0000360100000000, 0.0000696200000000, -0.0002196000000000 ] - [ -0.0000829900000000, -0.0000308000000000, -0.0000260900000000 ] - [ 0.0000636500000000, 0.0005216000000000, 0.0001180300000000 ] - [ 0.0001935200000000, -0.0003427800000000, 0.0005905000000000 ] - [ -0.0006863800000000, -0.0007591000000000, -0.0007258400000000 ] - [ 0.0005396400000000, -0.0001321300000000, -0.0002610900000000 ] - [ 0.0005474400000000, -0.0000870400000000, 0.0001566800000000 ] - [ 0.0012074200000000, 0.0270329600000000, -0.0004863500000000 ] - [ -0.0002566600000000, 0.0001591100000000, -0.0000295800000000 ] - [ 0.0047304600000000, -0.0034279300000000, 0.0012047000000000 ] - [ -0.0006474900000000, 0.0000601900000000, -0.0000974400000000 ] - [ 0.0004939800000000, 0.0000819500000000, -0.0000047800000000 ] - [ -0.0117071100000000, 0.0200158500000000, -0.0163348300000000 ] - [ -0.0001763000000000, 0.0001771800000000, 0.0000597700000000 ] - [ 0.0001660500000000, 0.0000909300000000, 0.0008510500000000 ] - [ -0.0006226900000000, 0.0003355400000000, -0.0011229900000000 ] - [ 0.0017510100000000, 0.0016324400000000, 0.0004361800000000 ] - [ -0.0021616200000000, 0.0016985100000000, 0.0010111200000000 ] - [ 0.0116761000000000, 0.0197191700000000, -0.0175727300000000 ] - [ 0.0006381000000000, 0.0003239600000000, -0.0002404000000000 ] - [ -0.0057915900000000, -0.7011366999999999, -0.0438937100000000 ] - [ 0.0003574800000000, -0.0009039300000000, 0.0008420000000000 ] - [ 0.0000093000000000, 0.0005877500000000, 0.0000351500000000 ] - [ 0.0000588000000000, 0.0005978100000000, 0.0007153000000000 ] - [ 0.0009536000000000, -0.0120174800000000, -0.0008357900000000 ] - [ 0.0005632800000000, -0.0006518700000000, -0.0060850200000000 ] - [ -0.0001064100000000, -0.0002357600000000, -0.0001844400000000 ] - [ -0.0041954200000000, 0.0066389400000000, 0.0001582200000000 ] - [ -0.0000357000000000, -0.0013481700000000, -0.0004964000000000 ] - [ 0.0007362600000000, 0.0022276200000000, 0.0000839600000000 ] - [ 0.0035201500000000, 0.0042136200000000, -0.0003560000000000 ] - [ -0.0003470200000000, -0.0007058500000000, -0.0002519200000000 ] - [ 0.0006366700000000, -0.0008449800000000, 0.0013488900000000 ] - [ 0.0003511200000000, 0.0000026400000000, 0.0000346200000000 ] - [ -0.0015029600000000, -0.0017277000000000, 0.0022784700000000 ] - [ -0.0014733300000000, 0.0010249200000000, -0.0001917700000000 ] - [ 0.0001546500000000, 0.0001792600000000, 0.0000061200000000 ] - [ 0.0004378300000000, -0.0022929900000000, -0.0008787500000000 ] - [ -0.0038118600000000, -0.0012948900000000, -0.0003017500000000 ] - [ 0.0001016800000000, 0.0000765400000000, 0.0002174400000000 ] - [ -0.0000585800000000, 0.0001052800000000, -0.0002739000000000 ] - [ 0.0000391700000000, 0.0018333200000000, 0.0017829700000000 ] - [ -0.0001119200000000, -0.0003333700000000, -0.0001624900000000 ] - [ 0.0000771600000000, -0.0004885900000000, 0.0000755700000000 ] - [ -0.0000441700000000, -0.0000847000000000, 0.0002252600000000 ] - [ -0.0004534300000000, -0.0002524000000000, -0.0006978300000000 ] - [ -0.0008001600000000, -0.0103386900000000, -0.0037853200000000 ] - [ -0.0000978400000000, -0.0000244000000000, 0.0001957500000000 ] - [ -0.0000306500000000, -0.0000419700000000, -0.0008387700000000 ] - [ -0.0002228400000000, 0.0023642400000000, 0.0014400000000000 ] - [ -0.0000562300000000, 0.0001041300000000, 0.0002762800000000 ] - [ 0.0002508600000000, -0.0006683900000000, -0.0007096600000000 ] - [ -0.0009505600000000, 0.0005088200000000, -0.0004027100000000 ] - [ 0.0000884800000000, -0.0001553900000000, 0.0002551900000000 ] - [ -0.0003552600000000, 0.0008396100000000, 0.0004998500000000 ] - [ -0.0002345900000000, -0.0001006200000000, -0.0001964400000000 ] - [ 0.0005544000000000, -0.0001105100000000, 0.0002187900000000 ] - [ -0.0001424800000000, -0.0003899500000000, 0.0001078100000000 ] - [ 0.0004312100000000, 0.0066168100000000, -0.0042500700000000 ] - [ -0.0003624800000000, -0.0000251900000000, 0.0003226700000000 ] - [ -0.0017436500000000, -0.0084358000000000, -0.0004812300000000 ] - [ 0.0004153700000000, 0.0004772400000000, 0.0000890500000000 ] - [ -0.0000453600000000, -0.0002819700000000, -0.0001647600000000 ] - [ -0.0004914700000000, 0.0003822600000000, 0.0006621000000000 ] - [ -0.0001499000000000, 0.0027424800000000, -0.0058791200000000 ] - [ 0.0005417300000000, 0.0004371000000000, -0.0002917200000000 ] - [ -0.0000428200000000, -0.0017902900000000, -0.0001439800000000 ] - [ -0.0969483000000000, 0.1209930000000000, -0.0381079000000000 ] - [ -0.0001084600000000, -0.0015508700000000, 0.0005023800000000 ] - [ 0.0006534100000000, 0.0000528000000000, -0.0007262500000000 ] - [ -0.0003402600000000, -0.0111185800000000, 0.0033754800000000 ] - [ 0.0001188200000000, 0.0000094800000000, -0.0002908700000000 ] - [ 0.0033625000000000, 0.3616772900000000, 0.1095918400000000 ] - [ -0.0002241800000000, 0.0003865100000000, -0.0001686800000000 ] - [ 0.0002111800000000, -0.0005052400000000, 0.0004588800000000 ] - [ 0.0004716400000000, -0.0006765000000000, 0.0003623700000000 ] - [ 0.0002845900000000, -0.0001090000000000, 0.0002743400000000 ] - [ -0.0001756100000000, -0.0003688700000000, 0.0003456400000000 ] - [ -0.0014325500000000, -0.0009608700000000, -0.0010549100000000 ] - [ -0.0000241700000000, 0.0000109200000000, -0.0002469200000000 ] - [ 0.0006804500000000, 0.0678228900000000, 0.0085158400000000 ] - [ 0.0003997700000000, 0.0003149600000000, -0.0006795200000000 ] - [ -0.0008660500000000, 0.0000736800000000, 0.0008819500000000 ] - [ -0.0000796800000000, 0.0004034000000000, -0.0003200800000000 ] - [ 0.0064658700000000, -0.0021689400000000, 0.0027952700000000 ] - [ 0.0029837400000000, -0.0009710300000000, 0.0004561800000000 ] - [ 0.0011421700000000, -0.0078526500000000, -0.0005208600000000 ] - [ -0.0002082400000000, -0.0002274200000000, -0.0003155100000000 ] - [ 0.0007300200000000, -0.0005009400000000, -0.0001579300000000 ] - [ -0.0001670500000000, 0.0002481200000000, 0.0004896200000000 ] - [ -0.0007931800000000, 0.0011360300000000, -0.0006635300000000 ] - [ 0.0005033700000000, 0.0010349100000000, -0.0003810300000000 ] - [ 0.0000416700000000, -0.0017169500000000, 0.0005997000000000 ] - [ -0.0030149900000000, 0.0006303700000000, 0.0003094400000000 ] - [ 0.0001778200000000, 0.0001652700000000, 0.0001712200000000 ] - [ 0.0004830900000000, 0.0009240100000000, -0.0007357700000000 ] - [ 0.0000989600000000, -0.0002686200000000, 0.0008017100000000 ] - [ -0.0001925300000000, -0.0004129100000000, -0.0000338800000000 ] - [ -0.0053256600000000, -0.0020712100000000, 0.0029287900000000 ] - [ -0.0005925500000000, 0.0001129300000000, -0.0000855300000000 ] - [ 0.0008470900000000, -0.0016480400000000, -0.0009437400000000 ] - [ -0.0004837500000000, -0.0075196000000000, 0.0022732500000000 ] - [ 0.0000370700000000, -0.0002455100000000, -0.0003195200000000 ] - [ 0.0001007000000000, 0.0006034400000000, 0.0000077900000000 ] - [ -0.0025393300000000, 0.0047930900000000, 0.0074258900000000 ] - [ 0.0027213900000000, 0.0043525300000000, 0.0064418300000000 ] - [ 0.0001238900000000, -0.0007261000000000, -0.0014207200000000 ] - [ 0.0001859900000000, 0.0003243600000000, 0.0002568000000000 ] - [ 0.0008775400000000, 0.0002683200000000, -0.0002239200000000 ] - [ 0.0000898900000000, 0.0005425300000000, 0.0002282200000000 ] - [ -0.0000269200000000, -0.0000031300000000, 0.0006405100000000 ] - [ 0.0007495200000000, 0.0002292800000000, 0.0006181600000000 ] - [ -0.0003175900000000, -0.0002025700000000, 0.0000382900000000 ] - [ 0.0975518500000000, 0.1158246700000000, -0.0396735600000000 ] - [ -0.0012036200000000, -0.0012067000000000, -0.0005317700000000 ] - [ -0.0010515700000000, 0.0014404300000000, -0.0030992100000000 ] - [ -0.0002514700000000, 0.0018591600000000, 0.0013273900000000 ] - [ 0.0006438500000000, -0.0010342100000000, 0.0004181800000000 ] - [ 0.0002047600000000, 0.0000629600000000, 0.0003124300000000 ] - [ -0.0001136600000000, -0.0004904200000000, -0.0005620400000000 ] - [ 0.0001454200000000, 0.0001460200000000, -0.0002725000000000 ] - [ 0.0001918400000000, 0.0004320900000000, 0.0006108900000000 ] - [ 0.0004833700000000, -0.0006975500000000, -0.0004204600000000 ] - [ 0.0003652000000000, -0.0004611300000000, -0.0001398200000000 ]- atom: 33 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000576700000000, -0.0001697000000000, 0.0003197500000000 ] - [ 0.0002771600000000, 0.0003419000000000, -0.0001792500000000 ] - [ 0.0001367500000000, -0.0002296100000000, -0.0002775900000000 ] - [ -0.0001731900000000, 0.0000364200000000, 0.0001657400000000 ] - [ 0.0000446100000000, -0.0001974600000000, 0.0001787100000000 ] - [ 0.0000008300000000, -0.0003024200000000, 0.0004020100000000 ] - [ 0.0053529900000000, -0.0039330100000000, -0.0088590500000000 ] - [ -0.0106990700000000, 0.0014049800000000, -0.0076263500000000 ] - [ -0.0000551200000000, 0.0000129600000000, 0.0004464500000000 ] - [ 0.0091452200000000, 0.0013028200000000, -0.0084352500000000 ] - [ 0.0001636200000000, 0.0000325000000000, -0.0001885600000000 ] - [ -0.0041463800000000, -0.0049818400000000, -0.0079059700000000 ] - [ -0.0000371100000000, -0.0000695800000000, 0.0000916900000000 ] - [ 0.0000823600000000, 0.0000303600000000, 0.0000250300000000 ] - [ -0.0000654000000000, -0.0002529000000000, -0.0001181300000000 ] - [ -0.0001940000000000, 0.0003397700000000, 0.0002644500000000 ] - [ -0.0003596500000000, 0.0006399400000000, 0.0008249200000000 ] - [ 0.0005020000000000, 0.0000124100000000, 0.0001505800000000 ] - [ 0.0004938400000000, -0.0000304300000000, -0.0000507000000000 ] - [ -0.0001601200000000, -0.0268596600000000, 0.0004608100000000 ] - [ -0.0007784400000000, -0.0000416100000000, 0.0001324200000000 ] - [ -0.0057615100000000, 0.0033051700000000, -0.0013059500000000 ] - [ -0.0003949300000000, 0.0000569700000000, -0.0000102800000000 ] - [ 0.0005470500000000, 0.0000360600000000, 0.0001101400000000 ] - [ 0.0118570900000000, -0.0199798900000000, 0.0164740200000000 ] - [ 0.0001736400000000, -0.0001749100000000, -0.0000621400000000 ] - [ -0.0001642400000000, -0.0000885400000000, 0.0008578500000000 ] - [ 0.0006148200000000, -0.0003199400000000, -0.0006029600000000 ] - [ -0.0017438000000000, -0.0016196500000000, -0.0004257700000000 ] - [ 0.0021484600000000, -0.0016855800000000, 0.0007077400000000 ] - [ -0.0118095300000000, -0.0196892300000000, 0.0160311800000000 ] - [ -0.0006304100000000, -0.0003084000000000, 0.0002257200000000 ] - [ 0.0051698600000000, 0.6805138500000000, 0.0297283600000000 ] - [ 0.0004052000000000, 0.0007497400000000, -0.0003254800000000 ] - [ 0.0000663500000000, 0.0006853300000000, -0.0001166200000000 ] - [ 0.0000162800000000, 0.0006762600000000, -0.0006519900000000 ] - [ -0.0001897500000000, 0.0118756800000000, 0.0002733300000000 ] - [ 0.0001996300000000, 0.0007860100000000, 0.0054362400000000 ] - [ -0.0006582400000000, 0.0000854800000000, 0.0006877600000000 ] - [ 0.0040616600000000, -0.0053855600000000, -0.0000906200000000 ] - [ 0.0001085700000000, 0.0000698400000000, 0.0004137300000000 ] - [ -0.0008114300000000, -0.0009595800000000, -0.0001673100000000 ] - [ -0.0042344500000000, -0.0040750400000000, 0.0008549900000000 ] - [ 0.0002707000000000, -0.0005691500000000, 0.0003248400000000 ] - [ -0.0007107100000000, -0.0004305100000000, -0.0014135300000000 ] - [ 0.0004133100000000, 0.0001458000000000, 0.0004741000000000 ] - [ 0.0007406000000000, 0.0015702900000000, -0.0027755600000000 ] - [ 0.0007072800000000, -0.0008803700000000, -0.0003195800000000 ] - [ 0.0000452500000000, 0.0000939900000000, 0.0000732100000000 ] - [ -0.0002440200000000, 0.0020078100000000, 0.0009552700000000 ] - [ 0.0038717800000000, 0.0011208500000000, 0.0007768100000000 ] - [ -0.0000161500000000, 0.0000937800000000, 0.0002610300000000 ] - [ 0.0001405400000000, 0.0000649700000000, -0.0002067300000000 ] - [ -0.0001250500000000, -0.0016945800000000, -0.0022633400000000 ] - [ -0.0000881300000000, 0.0000593100000000, 0.0002420800000000 ] - [ 0.0001236000000000, 0.0002169200000000, -0.0001594300000000 ] - [ -0.0000408800000000, -0.0000860800000000, 0.0002540200000000 ] - [ 0.0006519100000000, 0.0005142500000000, 0.0006084500000000 ] - [ 0.0006121000000000, 0.0100353300000000, 0.0035778900000000 ] - [ -0.0001022300000000, 0.0002945000000000, -0.0001123600000000 ] - [ -0.0000545100000000, -0.0001297100000000, 0.0003662300000000 ] - [ 0.0000236700000000, -0.0021041200000000, -0.0015312000000000 ] - [ -0.0000292000000000, 0.0000664700000000, 0.0002042700000000 ] - [ -0.0001624400000000, 0.0004965700000000, 0.0002292300000000 ] - [ 0.0000906800000000, -0.0000279800000000, 0.0002976100000000 ] - [ -0.0000810700000000, -0.0000990200000000, 0.0002837900000000 ] - [ -0.0006047600000000, 0.0006579900000000, 0.0002952600000000 ] - [ 0.0002473300000000, 0.0000308000000000, -0.0002749900000000 ] - [ -0.0005768900000000, -0.0007067700000000, -0.0008188300000000 ] - [ 0.0001724900000000, 0.0012078100000000, -0.0007107600000000 ] - [ -0.0002565700000000, -0.0056049700000000, 0.0045503200000000 ] - [ -0.0001996000000000, -0.0000399700000000, 0.0001356400000000 ] - [ 0.0025452100000000, 0.0079735400000000, 0.0003694100000000 ] - [ -0.0005869000000000, -0.0014339800000000, 0.0002042600000000 ] - [ -0.0001039500000000, -0.0006823000000000, -0.0005477500000000 ] - [ 0.0004949300000000, -0.0001270800000000, -0.0001217700000000 ] - [ 0.0003223400000000, -0.0036963500000000, 0.0061936500000000 ] - [ -0.0007174500000000, 0.0005329900000000, 0.0005853200000000 ] - [ -0.0005169600000000, 0.0018553100000000, -0.0003190700000000 ] - [ 0.1011365100000000, -0.1221415600000000, 0.0390799300000000 ] - [ 0.0004846700000000, 0.0008855300000000, -0.0001450100000000 ] - [ -0.0012155700000000, -0.0001211400000000, 0.0002638700000000 ] - [ 0.0003239000000000, 0.0110930200000000, -0.0029498400000000 ] - [ 0.0000550000000000, -0.0009727900000000, -0.0000021000000000 ] - [ -0.0022118700000000, -0.3388535000000000, -0.0994428600000000 ] - [ -0.0001634900000000, 0.0002801000000000, 0.0005235400000000 ] - [ -0.0001820600000000, -0.0003151800000000, 0.0001471500000000 ] - [ 0.0004883800000000, -0.0008206800000000, 0.0004380600000000 ] - [ -0.0002627200000000, 0.0000389300000000, 0.0002030200000000 ] - [ -0.0002118600000000, -0.0002976900000000, 0.0000138000000000 ] - [ 0.0004757600000000, -0.0005303900000000, 0.0002640900000000 ] - [ 0.0000074200000000, 0.0000564900000000, -0.0002271600000000 ] - [ -0.0005470300000000, -0.0686030400000000, -0.0074521200000000 ] - [ 0.0004572400000000, 0.0001656400000000, 0.0007785100000000 ] - [ -0.0000123800000000, -0.0005609800000000, -0.0007463900000000 ] - [ 0.0000504800000000, 0.0004154600000000, -0.0002820800000000 ] - [ -0.0063856600000000, 0.0022140000000000, -0.0032382400000000 ] - [ -0.0039361200000000, -0.0005034400000000, 0.0003308400000000 ] - [ -0.0010464000000000, 0.0087095000000000, 0.0011144500000000 ] - [ 0.0002165400000000, -0.0000262400000000, -0.0002137800000000 ] - [ -0.0008651000000000, 0.0014722100000000, -0.0005530700000000 ] - [ 0.0000193700000000, 0.0007166700000000, 0.0002317000000000 ] - [ -0.0001698900000000, 0.0003658200000000, -0.0001319600000000 ] - [ 0.0004580400000000, 0.0004635900000000, -0.0004119100000000 ] - [ -0.0000531000000000, 0.0014618300000000, -0.0000669900000000 ] - [ 0.0028341800000000, 0.0003570400000000, -0.0006015000000000 ] - [ 0.0006782300000000, 0.0003135700000000, -0.0002688200000000 ] - [ -0.0006220800000000, -0.0018839900000000, 0.0014465200000000 ] - [ 0.0000497300000000, -0.0006938800000000, -0.0000803900000000 ] - [ 0.0000194600000000, -0.0005529700000000, -0.0002540100000000 ] - [ 0.0052927200000000, 0.0021215100000000, -0.0024327200000000 ] - [ 0.0005845000000000, 0.0001346300000000, 0.0006184100000000 ] - [ -0.0008352100000000, 0.0013870500000000, 0.0003996000000000 ] - [ 0.0000916000000000, 0.0068652200000000, -0.0025086700000000 ] - [ -0.0000525600000000, 0.0001761400000000, -0.0001578700000000 ] - [ 0.0000726700000000, 0.0003644000000000, -0.0002974100000000 ] - [ 0.0016849200000000, -0.0043287300000000, -0.0073025300000000 ] - [ -0.0021636100000000, -0.0044380400000000, -0.0068743400000000 ] - [ 0.0000226600000000, 0.0016969700000000, 0.0007157800000000 ] - [ -0.0002161300000000, 0.0004964600000000, 0.0003558200000000 ] - [ -0.0003084800000000, -0.0003304100000000, 0.0006746900000000 ] - [ 0.0000580300000000, 0.0004229000000000, 0.0004890600000000 ] - [ 0.0000094300000000, 0.0000655500000000, -0.0001647700000000 ] - [ -0.0001662800000000, -0.0001725300000000, -0.0010398000000000 ] - [ -0.0005386500000000, -0.0002769300000000, -0.0001388200000000 ] - [ -0.1012851300000000, -0.1175331200000000, 0.0416158300000000 ] - [ 0.0006274100000000, 0.0012634100000000, 0.0009797700000000 ] - [ 0.0014305900000000, -0.0007777200000000, 0.0027314600000000 ] - [ -0.0001373100000000, -0.0011967800000000, -0.0016669100000000 ] - [ 0.0002131900000000, 0.0005517800000000, -0.0003166500000000 ] - [ 0.0003581300000000, 0.0000011600000000, 0.0001449200000000 ] - [ 0.0001414700000000, -0.0003303800000000, -0.0000437500000000 ] - [ -0.0001522800000000, 0.0001072200000000, -0.0002641400000000 ] - [ 0.0001982900000000, 0.0002346700000000, -0.0002478800000000 ] - [ 0.0004772400000000, -0.0007982400000000, -0.0003716300000000 ] - [ 0.0000234000000000, -0.0002043900000000, -0.0002161300000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0005616500000000, -0.0004181200000000, 0.0024734800000000 ] - [ -0.0008180400000000, 0.0000217400000000, -0.0002465100000000 ] - [ -0.0003621800000000, 0.0003795800000000, -0.0013886600000000 ] - [ -0.0020258100000000, 0.0000291200000000, 0.0035072700000000 ] - [ -0.0002562700000000, -0.0000443400000000, 0.0010336400000000 ] - [ -0.0006406600000000, -0.0005943900000000, 0.0027632300000000 ] - [ -0.0126648000000000, 0.0097531700000000, -0.0037002800000000 ] - [ 0.0085945700000000, 0.0063658100000000, 0.0046064000000000 ] - [ -0.0005075500000000, -0.0000913500000000, 0.0012912600000000 ] - [ -0.0069779400000000, 0.0056189900000000, 0.0054607100000000 ] - [ 0.0024365000000000, -0.0002041900000000, 0.0032211400000000 ] - [ 0.0104235900000000, 0.0093778100000000, -0.0040855700000000 ] - [ 0.0001878200000000, 0.0000873600000000, 0.0009615000000000 ] - [ 0.0005913300000000, -0.0001474400000000, 0.0007925500000000 ] - [ 0.0004792800000000, 0.0005167800000000, -0.0013444600000000 ] - [ 0.0006471100000000, 0.0000476500000000, -0.0001264900000000 ] - [ 0.0013437400000000, 0.0000312000000000, 0.0016098700000000 ] - [ 0.0004501100000000, -0.0000282000000000, 0.0035828800000000 ] - [ 0.0005659100000000, -0.0000960000000000, -0.0004563900000000 ] - [ 0.0007819200000000, 0.0027913600000000, -0.0075643300000000 ] - [ -0.0025853700000000, -0.0002264500000000, -0.0007731900000000 ] - [ -0.0045833100000000, 0.0010415400000000, -0.0042943800000000 ] - [ -0.0001420400000000, 0.0000676400000000, 0.0016647200000000 ] - [ 0.0004996000000000, 0.0000447000000000, 0.0005958900000000 ] - [ 0.0139541900000000, -0.0117927500000000, 0.0085766400000000 ] - [ 0.0018886500000000, 0.0006093300000000, 0.0020724900000000 ] - [ -0.0016429300000000, 0.0005168100000000, 0.0028308600000000 ] - [ 0.0036941700000000, 0.0003949800000000, 0.0075132000000000 ] - [ -0.0029601300000000, -0.0001575000000000, -0.0008681600000000 ] - [ 0.0028047100000000, -0.0002992400000000, -0.0000862900000000 ] - [ -0.0143983400000000, -0.0132702500000000, 0.0083032700000000 ] - [ -0.0036258600000000, -0.0000291800000000, 0.0080442500000000 ] - [ 0.0057803700000000, -0.0376829700000000, -0.5900395899999999 ] - [ 0.0002452800000000, 0.0002283200000000, -0.0034657800000000 ] - [ 0.0000486100000000, 0.0007132700000000, -0.0022607200000000 ] - [ 0.0001541900000000, -0.0000429800000000, 0.0095545100000000 ] - [ 0.0017685000000000, 0.0017729800000000, 0.0155967400000000 ] - [ -0.0004885100000000, -0.0217082800000000, -0.0008801600000000 ] - [ -0.0015986700000000, -0.0004775000000000, 0.0057208900000000 ] - [ -0.0051071400000000, 0.0005082500000000, -0.0107461500000000 ] - [ 0.0000643200000000, -0.0001829200000000, 0.0020859100000000 ] - [ 0.0035603400000000, 0.0007656500000000, 0.0041820400000000 ] - [ 0.0043735600000000, -0.0013053800000000, -0.0094704200000000 ] - [ 0.0012506500000000, -0.0009256200000000, 0.0059294200000000 ] - [ -0.0094448400000000, -0.0020157300000000, -0.0020266200000000 ] - [ 0.0003650100000000, 0.0003652400000000, 0.0030247400000000 ] - [ 0.0104429900000000, -0.0009978700000000, -0.0020267200000000 ] - [ -0.0041699400000000, -0.0000085400000000, 0.0037476700000000 ] - [ -0.0000173500000000, -0.0016072800000000, 0.0023100900000000 ] - [ -0.0006027300000000, -0.0036751400000000, -0.0049493500000000 ] - [ 0.0025671300000000, 0.0002900800000000, 0.0000274200000000 ] - [ -0.0000879200000000, 0.0000982100000000, 0.0008380700000000 ] - [ 0.0009772400000000, 0.0001317100000000, -0.0001380100000000 ] - [ -0.0000864400000000, 0.0007178900000000, 0.0008316600000000 ] - [ -0.0000465900000000, 0.0008032200000000, 0.0012800000000000 ] - [ -0.0001410500000000, -0.0017999000000000, 0.0022701900000000 ] - [ -0.0000275600000000, -0.0001496400000000, 0.0005314100000000 ] - [ 0.0010345700000000, -0.0029620800000000, -0.0033274300000000 ] - [ -0.0023140600000000, -0.0334302400000000, 0.0547313800000000 ] - [ -0.0001654100000000, 0.0011248700000000, -0.0013675000000000 ] - [ -0.0001089500000000, 0.0005285200000000, 0.0038684100000000 ] - [ -0.0004113600000000, 0.0048022000000000, 0.0051835000000000 ] - [ -0.0000838600000000, 0.0000077600000000, 0.0000084800000000 ] - [ -0.0010466800000000, 0.0000322000000000, 0.0002110100000000 ] - [ 0.0007543800000000, -0.0003025300000000, 0.0016742400000000 ] - [ -0.0007000900000000, -0.0004996400000000, 0.0007131900000000 ] - [ -0.0010745900000000, 0.0003593300000000, -0.0016539400000000 ] - [ 0.0017246000000000, -0.0000891900000000, -0.0018239000000000 ] - [ -0.0008627200000000, -0.0007959900000000, -0.0010110200000000 ] - [ -0.0014345100000000, 0.0002680400000000, -0.0008094200000000 ] - [ 0.0016424700000000, 0.0288919700000000, -0.0249326500000000 ] - [ -0.0004018600000000, 0.0004637200000000, -0.0016841600000000 ] - [ -0.0055504100000000, 0.0033215600000000, 0.0040382500000000 ] - [ -0.0027811700000000, 0.0014202700000000, 0.0016632600000000 ] - [ 0.0001734800000000, 0.0002662200000000, -0.0046322800000000 ] - [ 0.0008456800000000, -0.0002809600000000, -0.0003981100000000 ] - [ 0.0000287500000000, -0.0036994000000000, -0.0056437700000000 ] - [ 0.0011951000000000, 0.0009629300000000, -0.0019171300000000 ] - [ 0.0030866600000000, 0.0013826000000000, -0.0025573600000000 ] - [ 0.0569368300000000, -0.0396788300000000, 0.0823700500000000 ] - [ 0.0009194800000000, -0.0011658800000000, 0.0057406300000000 ] - [ -0.0070793700000000, 0.0003472200000000, -0.0024744900000000 ] - [ -0.0001777100000000, 0.0028334000000000, -0.0022491400000000 ] - [ 0.0002002500000000, -0.0009315400000000, 0.0013038100000000 ] - [ 0.0013015100000000, 0.1113195400000000, 0.1061457200000000 ] - [ -0.0002607600000000, 0.0005778600000000, 0.0025534500000000 ] - [ -0.0014445400000000, 0.0004665900000000, -0.0031943200000000 ] - [ 0.0004466000000000, 0.0002226000000000, -0.0038959300000000 ] - [ -0.0020943200000000, -0.0003919000000000, -0.0013593600000000 ] - [ -0.0001620400000000, -0.0001242000000000, -0.0016452700000000 ] - [ -0.0022123800000000, -0.0014045600000000, -0.0016413900000000 ] - [ -0.0000714000000000, -0.0001696500000000, -0.0009168000000000 ] - [ 0.0006649600000000, 0.0051308000000000, 0.2705172900000000 ] - [ -0.0026520000000000, -0.0003346500000000, -0.0005777500000000 ] - [ 0.0045882000000000, 0.0050758100000000, -0.0032413900000000 ] - [ 0.0006351600000000, 0.0000802100000000, 0.0001584800000000 ] - [ -0.0040396600000000, 0.0008628200000000, -0.0009793000000000 ] - [ 0.0026173700000000, -0.0018981700000000, 0.0037692300000000 ] - [ 0.0053857500000000, 0.0048638000000000, 0.0044093400000000 ] - [ -0.0006662800000000, -0.0009809300000000, -0.0042139500000000 ] - [ -0.0006703600000000, 0.0016664800000000, 0.0066687300000000 ] - [ -0.0005127700000000, 0.0012686600000000, -0.0031046600000000 ] - [ 0.0020009900000000, 0.0013556500000000, -0.0004625800000000 ] - [ 0.0004663300000000, 0.0007694900000000, -0.0007871200000000 ] - [ -0.0030682900000000, 0.0014199100000000, -0.0017756800000000 ] - [ -0.0017416700000000, 0.0020251600000000, 0.0047685400000000 ] - [ 0.0022114500000000, 0.0011358000000000, -0.0036529000000000 ] - [ 0.0031265100000000, 0.0010986400000000, 0.0048200100000000 ] - [ 0.0000465200000000, -0.0009998800000000, -0.0015298700000000 ] - [ 0.0003139800000000, 0.0002684600000000, -0.0025393700000000 ] - [ 0.0034351600000000, 0.0008238200000000, -0.0002364700000000 ] - [ 0.0063648700000000, 0.0009322800000000, -0.0018470000000000 ] - [ 0.0014926200000000, -0.0001840900000000, 0.0016646600000000 ] - [ 0.0001769700000000, -0.0017344000000000, 0.0064748200000000 ] - [ 0.0000863500000000, -0.0001537700000000, 0.0000629700000000 ] - [ 0.0000496100000000, 0.0000466000000000, -0.0013867900000000 ] - [ -0.0021351400000000, 0.0009573900000000, -0.0055841300000000 ] - [ 0.0010037000000000, 0.0007915000000000, -0.0069644200000000 ] - [ 0.0002054200000000, -0.0014551000000000, -0.0077734300000000 ] - [ 0.0004048300000000, -0.0003925000000000, -0.0035905300000000 ] - [ -0.0006915700000000, -0.0006093000000000, 0.0018463900000000 ] - [ 0.0000935400000000, -0.0000193400000000, 0.0023716600000000 ] - [ 0.0001368000000000, -0.0002513300000000, -0.0040276600000000 ] - [ -0.0041267700000000, 0.0049384400000000, -0.0035286900000000 ] - [ -0.0011264100000000, -0.0006833200000000, -0.0014193300000000 ] - [ -0.0613534400000000, -0.0422458500000000, 0.0843185000000000 ] - [ -0.0012322400000000, 0.0006587100000000, 0.0022524300000000 ] - [ -0.0031924900000000, -0.0006363000000000, 0.0040362900000000 ] - [ -0.0004578700000000, 0.0011378500000000, -0.0071678900000000 ] - [ 0.0018195200000000, -0.0001364700000000, -0.0004097400000000 ] - [ 0.0009737000000000, -0.0004136000000000, -0.0010679800000000 ] - [ 0.0030022300000000, -0.0011975100000000, -0.0006181200000000 ] - [ -0.0000834700000000, 0.0005177000000000, -0.0020655900000000 ] - [ -0.0002015600000000, -0.0000936800000000, -0.0034421600000000 ] - [ 0.0004940200000000, -0.0005108900000000, -0.0000534700000000 ] - [ 0.0008101600000000, -0.0006789200000000, -0.0030591900000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0005537400000000, 0.0006770100000000, -0.0024691900000000 ] - [ 0.0008197200000000, -0.0000218400000000, 0.0002391100000000 ] - [ 0.0003585900000000, -0.0003807500000000, 0.0012671000000000 ] - [ 0.0020337400000000, -0.0000301700000000, -0.0035096100000000 ] - [ 0.0002533800000000, -0.0002212300000000, -0.0010355800000000 ] - [ 0.0006325400000000, 0.0005872100000000, -0.0026289900000000 ] - [ 0.0127464900000000, -0.0100963200000000, 0.0037100700000000 ] - [ -0.0084958600000000, -0.0063085000000000, -0.0046227600000000 ] - [ 0.0005098500000000, 0.0000918300000000, -0.0004370100000000 ] - [ 0.0068869400000000, -0.0055591200000000, -0.0063039800000000 ] - [ -0.0024455600000000, 0.0002031000000000, -0.0040747000000000 ] - [ -0.0104804300000000, -0.0094469100000000, 0.0042295600000000 ] - [ -0.0001860100000000, -0.0000882100000000, -0.0010901400000000 ] - [ -0.0005931600000000, 0.0001477200000000, -0.0007899100000000 ] - [ -0.0004774000000000, -0.0002526500000000, 0.0013493500000000 ] - [ -0.0006491200000000, -0.0000477800000000, 0.0009716500000000 ] - [ -0.0023685500000000, -0.0001486100000000, -0.0015118600000000 ] - [ 0.0005913600000000, -0.0000908000000000, -0.0036794500000000 ] - [ 0.0004753000000000, -0.0000208000000000, 0.0005656300000000 ] - [ 0.0002609100000000, -0.0026181400000000, 0.0074442000000000 ] - [ 0.0015478100000000, 0.0003454100000000, 0.0008864400000000 ] - [ 0.0035798900000000, -0.0011609500000000, 0.0041901200000000 ] - [ -0.0009030000000000, 0.0000500100000000, -0.0017695900000000 ] - [ 0.0005415100000000, 0.0000735300000000, -0.0004939000000000 ] - [ -0.0138677000000000, 0.0116844600000000, -0.0086876600000000 ] - [ -0.0018940600000000, -0.0006106100000000, -0.0020642300000000 ] - [ 0.0016477400000000, -0.0005182600000000, -0.0011114600000000 ] - [ -0.0037002500000000, -0.0003929300000000, -0.0092193200000000 ] - [ 0.0029623800000000, 0.0001562800000000, 0.0008492500000000 ] - [ -0.0028146100000000, 0.0003000800000000, 0.0017810000000000 ] - [ 0.0143116200000000, 0.0131392400000000, -0.0101210500000000 ] - [ 0.0036327400000000, 0.0000323600000000, -0.0080392100000000 ] - [ -0.0056145700000000, 0.0357894600000000, 0.6137974000000000 ] - [ 0.0005192300000000, -0.0003776500000000, 0.0039853800000000 ] - [ 0.0000269600000000, 0.0005616000000000, 0.0021921500000000 ] - [ -0.0000791900000000, 0.0013247500000000, -0.0094567900000000 ] - [ -0.0009767300000000, -0.0019025500000000, -0.0159936600000000 ] - [ 0.0012561900000000, 0.0219798000000000, 0.0003854400000000 ] - [ 0.0008458300000000, 0.0003301900000000, -0.0052007600000000 ] - [ 0.0050743600000000, 0.0007572100000000, 0.0108481600000000 ] - [ 0.0000094300000000, -0.0010936800000000, -0.0021757900000000 ] - [ -0.0036202400000000, 0.0005145200000000, -0.0042745500000000 ] - [ -0.0051760600000000, 0.0014457200000000, 0.0100057000000000 ] - [ -0.0013386800000000, -0.0003496100000000, -0.0058414400000000 ] - [ 0.0093876300000000, 0.0007468000000000, 0.0019765000000000 ] - [ 0.0003986700000000, -0.0002160500000000, -0.0025122000000000 ] - [ -0.0112258700000000, 0.0008539500000000, 0.0015418100000000 ] - [ 0.0033872700000000, 0.0001643700000000, -0.0042723600000000 ] - [ 0.0002188200000000, 0.0018817600000000, -0.0022303100000000 ] - [ 0.0007937700000000, 0.0034136200000000, 0.0050523000000000 ] - [ -0.0025055800000000, -0.0004643100000000, 0.0004394200000000 ] - [ 0.0001743300000000, 0.0000724900000000, -0.0003582100000000 ] - [ -0.0008937600000000, 0.0000388700000000, -0.0003395100000000 ] - [ 0.0000015700000000, -0.0005448200000000, -0.0013042700000000 ] - [ -0.0001535100000000, -0.0010774200000000, -0.0012006200000000 ] - [ 0.0003373700000000, 0.0015314800000000, -0.0023545600000000 ] - [ -0.0000574100000000, -0.0000211800000000, -0.0000512200000000 ] - [ -0.0008342300000000, 0.0032451800000000, 0.0032611300000000 ] - [ 0.0021229300000000, 0.0332480700000000, -0.0555205700000000 ] - [ -0.0000345500000000, -0.0008550600000000, 0.0014529300000000 ] - [ 0.0000238600000000, -0.0006980100000000, -0.0043280900000000 ] - [ 0.0002095800000000, -0.0045048800000000, -0.0052443400000000 ] - [ -0.0000011000000000, 0.0001637000000000, 0.0004704800000000 ] - [ 0.0011195700000000, -0.0002027500000000, -0.0006945600000000 ] - [ -0.0016169000000000, 0.0007821900000000, -0.0017746900000000 ] - [ 0.0007078000000000, 0.0002470200000000, -0.0001814800000000 ] - [ 0.0001177500000000, 0.0011345900000000, 0.0024442100000000 ] - [ -0.0017125400000000, 0.0000214600000000, 0.0013460700000000 ] - [ 0.0008380400000000, -0.0000209800000000, 0.0004146200000000 ] - [ 0.0014559000000000, 0.0005453900000000, 0.0002149800000000 ] - [ -0.0014733200000000, -0.0280333900000000, 0.0253223500000000 ] - [ -0.0001689300000000, -0.0005262600000000, 0.0021346100000000 ] - [ 0.0064398500000000, -0.0038355300000000, -0.0041329200000000 ] - [ 0.0026141100000000, -0.0023924900000000, -0.0013848600000000 ] - [ -0.0003148500000000, -0.0012320700000000, 0.0039113800000000 ] - [ -0.0008406500000000, 0.0005365100000000, 0.0009415300000000 ] - [ 0.0001408300000000, 0.0027046700000000, 0.0059043500000000 ] - [ -0.0013594900000000, -0.0000000900000000, 0.0022135100000000 ] - [ -0.0036410100000000, -0.0013144100000000, 0.0021147800000000 ] - [ -0.0563522100000000, 0.0396847800000000, -0.0835663800000000 ] - [ -0.0005277400000000, 0.0005023700000000, -0.0054019800000000 ] - [ 0.0065342300000000, -0.0004143500000000, 0.0020109600000000 ] - [ 0.0001576700000000, -0.0029103500000000, 0.0027721300000000 ] - [ -0.0000274800000000, -0.0000356500000000, -0.0015972000000000 ] - [ -0.0003398800000000, -0.1079972300000000, -0.1061163000000000 ] - [ -0.0001273600000000, 0.0000882800000000, -0.0022000600000000 ] - [ 0.0014786100000000, -0.0012864700000000, 0.0037944900000000 ] - [ 0.0005132300000000, -0.0017221200000000, 0.0046879300000000 ] - [ 0.0021168200000000, 0.0003237700000000, 0.0018318100000000 ] - [ -0.0002252300000000, -0.0005421800000000, 0.0020053800000000 ] - [ 0.0012435900000000, -0.0000933200000000, 0.0008554200000000 ] - [ 0.0000545800000000, 0.0002381900000000, 0.0004377100000000 ] - [ -0.0005209600000000, -0.0066245200000000, -0.2921273000000000 ] - [ 0.0035117100000000, 0.0008125500000000, 0.0006705500000000 ] - [ -0.0054484200000000, -0.0055672000000000, 0.0033391700000000 ] - [ -0.0006645500000000, 0.0007406900000000, -0.0007679200000000 ] - [ 0.0040833600000000, -0.0007945000000000, 0.0005453700000000 ] - [ -0.0036015400000000, 0.0004062900000000, -0.0029677700000000 ] - [ -0.0053853500000000, -0.0040815000000000, -0.0038004500000000 ] - [ 0.0006666300000000, 0.0007236000000000, 0.0036706000000000 ] - [ 0.0005180200000000, -0.0007065900000000, -0.0074089500000000 ] - [ 0.0003614500000000, -0.0003059400000000, 0.0038283300000000 ] - [ -0.0029669400000000, 0.0001424800000000, -0.0003394000000000 ] - [ 0.0004944300000000, 0.0007257000000000, -0.0000019000000000 ] - [ 0.0030518900000000, -0.0016686200000000, 0.0023255400000000 ] - [ 0.0015904900000000, -0.0010567400000000, -0.0050704100000000 ] - [ -0.0013593200000000, -0.0006567100000000, 0.0035490000000000 ] - [ -0.0032737800000000, -0.0020668100000000, -0.0041316500000000 ] - [ 0.0001020800000000, 0.0000373300000000, 0.0022527300000000 ] - [ -0.0004900600000000, -0.0012378600000000, 0.0022474400000000 ] - [ -0.0034209800000000, -0.0007521500000000, 0.0007501900000000 ] - [ -0.0063884100000000, -0.0006825300000000, 0.0023784500000000 ] - [ -0.0015149100000000, -0.0000614100000000, -0.0021976700000000 ] - [ -0.0005651300000000, 0.0010653100000000, -0.0068658100000000 ] - [ -0.0001026000000000, 0.0000857000000000, -0.0005331400000000 ] - [ 0.0001236900000000, 0.0009223300000000, 0.0010959700000000 ] - [ 0.0012405300000000, -0.0004493600000000, 0.0056759000000000 ] - [ -0.0004135200000000, -0.0008214600000000, 0.0064777500000000 ] - [ -0.0000575500000000, 0.0024065400000000, 0.0070359100000000 ] - [ -0.0004279300000000, 0.0012096700000000, 0.0041889400000000 ] - [ 0.0012607600000000, 0.0005463400000000, -0.0013910600000000 ] - [ 0.0000543200000000, 0.0009842400000000, -0.0016635600000000 ] - [ -0.0001544600000000, 0.0003145700000000, 0.0044903500000000 ] - [ 0.0046910100000000, -0.0048858200000000, 0.0030688700000000 ] - [ 0.0002697400000000, 0.0002039200000000, 0.0013160000000000 ] - [ 0.0605911400000000, 0.0411319000000000, -0.0844218900000000 ] - [ 0.0006831700000000, -0.0005884700000000, -0.0017919300000000 ] - [ 0.0035754500000000, 0.0013052200000000, -0.0044215200000000 ] - [ 0.0000643800000000, -0.0004689800000000, 0.0067820100000000 ] - [ -0.0009516200000000, -0.0003484700000000, 0.0005232800000000 ] - [ -0.0004093100000000, 0.0004777700000000, 0.0015222600000000 ] - [ -0.0029766800000000, 0.0003760100000000, 0.0000056700000000 ] - [ 0.0000842000000000, -0.0002604100000000, 0.0015236300000000 ] - [ 0.0005821400000000, 0.0007590800000000, 0.0037946500000000 ] - [ 0.0004665700000000, -0.0009861200000000, -0.0007437500000000 ] - [ -0.0004174800000000, 0.0000133700000000, 0.0027062500000000 ]- atom: 34 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0009123200000000, 0.0000591000000000, -0.0004684900000000 ] - [ -0.0006686700000000, 0.0086527200000000, 0.0080053000000000 ] - [ 0.0025895400000000, 0.0095627900000000, 0.0117452800000000 ] - [ 0.0009023900000000, -0.0002013400000000, 0.0003096300000000 ] - [ -0.0008131800000000, -0.0002759400000000, 0.0010011200000000 ] - [ 0.0009114500000000, 0.0000416800000000, 0.0005286600000000 ] - [ 0.0025087700000000, 0.0000135400000000, 0.0006633000000000 ] - [ 0.0025096400000000, 0.0000092000000000, -0.0008242900000000 ] - [ -0.0008059200000000, -0.0001657500000000, 0.0007885500000000 ] - [ 0.0024024100000000, 0.0000393300000000, 0.0005738000000000 ] - [ 0.0009660200000000, 0.0002653000000000, -0.0009104100000000 ] - [ 0.0024001300000000, -0.0001973200000000, -0.0006406600000000 ] - [ -0.0007630000000000, 0.0001888700000000, -0.0011448000000000 ] - [ -0.0009285800000000, 0.0002533400000000, -0.0005359000000000 ] - [ -0.0000749900000000, -0.0076944500000000, -0.0090463500000000 ] - [ 0.0018193300000000, -0.0105857800000000, -0.0083060800000000 ] - [ 0.0007917200000000, -0.0003687500000000, -0.0022921700000000 ] - [ 0.0013322500000000, -0.0000569800000000, -0.0000737800000000 ] - [ -0.0013538400000000, 0.0000255000000000, 0.0000021300000000 ] - [ 0.0035233600000000, 0.0000524400000000, -0.0000374600000000 ] - [ -0.0003375300000000, -0.0001259300000000, 0.0016411300000000 ] - [ 0.0134769400000000, 0.0004748000000000, -0.0007943100000000 ] - [ -0.0005444500000000, 0.0000795700000000, 0.0002446000000000 ] - [ -0.0017093500000000, 0.0000169300000000, -0.0001423000000000 ] - [ 0.0091821500000000, 0.0001664300000000, -0.0019332900000000 ] - [ -0.0023448400000000, -0.0012556000000000, -0.0012717100000000 ] - [ -0.0020987000000000, 0.0009360900000000, 0.0021903000000000 ] - [ 0.0023177400000000, -0.0013033100000000, -0.0021475400000000 ] - [ 0.0034203500000000, -0.0292810900000000, 0.0306646000000000 ] - [ 0.0073404700000000, 0.0278860300000000, -0.0296616600000000 ] - [ 0.0085028300000000, -0.0002399800000000, 0.0012080300000000 ] - [ 0.0023168400000000, 0.0010450200000000, 0.0011584000000000 ] - [ 0.0089925500000000, -0.0006611900000000, -0.0000951600000000 ] - [ -0.5611132200000000, 0.0067823500000000, -0.0124972400000000 ] - [ -0.0051000100000000, 0.0004526300000000, 0.0008692600000000 ] - [ 0.0023607300000000, 0.0006690500000000, 0.0000218700000000 ] - [ 0.0061627200000000, -0.0000001300000000, -0.0002784800000000 ] - [ 0.0044637700000000, 0.0000913200000000, -0.0001416500000000 ] - [ -0.0002006600000000, 0.0001036800000000, -0.0010154500000000 ] - [ 0.0080034500000000, 0.0045378900000000, -0.0047421600000000 ] - [ -0.0242709000000000, -0.0000551300000000, -0.0014322100000000 ] - [ 0.0015317900000000, -0.0004503500000000, -0.0038177200000000 ] - [ 0.0080382400000000, -0.0033847300000000, 0.0035159700000000 ] - [ 0.0000275000000000, -0.0009130300000000, 0.0012605700000000 ] - [ 0.0003082600000000, 0.0004822700000000, 0.0107572000000000 ] - [ -0.0020862500000000, 0.0000442500000000, 0.0002181600000000 ] - [ -0.0001071200000000, 0.0009463700000000, -0.0120337100000000 ] - [ 0.0007996800000000, 0.0006304000000000, 0.0029200400000000 ] - [ 0.0001332400000000, 0.0008428400000000, -0.0009271100000000 ] - [ 0.0026463600000000, -0.0001327600000000, 0.0025602500000000 ] - [ 0.0061987300000000, -0.0001586500000000, -0.0009841500000000 ] - [ 0.0000583500000000, -0.0000097500000000, 0.0002482000000000 ] - [ 0.0000568600000000, 0.0002678600000000, -0.0006712500000000 ] - [ 0.0007709900000000, 0.0000983400000000, -0.0002369900000000 ] - [ 0.0000617200000000, -0.0002939700000000, -0.0001335600000000 ] - [ 0.0002698800000000, -0.0011551800000000, 0.0013321800000000 ] - [ -0.0004166500000000, -0.0000702700000000, 0.0002201000000000 ] - [ 0.0002160400000000, -0.0009226500000000, -0.0022285500000000 ] - [ 0.0004786000000000, 0.0000285100000000, -0.0001887100000000 ] - [ 0.0007226500000000, -0.0006055700000000, 0.0000246800000000 ] - [ 0.0007294300000000, -0.0000891600000000, -0.0002508000000000 ] - [ 0.0002533000000000, 0.0000652400000000, -0.0001079100000000 ] - [ -0.0026117100000000, 0.0002384500000000, 0.0001834500000000 ] - [ 0.0009317600000000, 0.0000714300000000, 0.0014157800000000 ] - [ 0.2117916900000000, -0.0586190100000000, 0.0916961800000000 ] - [ 0.0025193400000000, 0.0008076800000000, 0.0003349000000000 ] - [ -0.0004919700000000, 0.0007020000000000, 0.0003616200000000 ] - [ -0.0000803600000000, -0.0002314200000000, -0.0007220800000000 ] - [ 0.0083775000000000, 0.0022028700000000, 0.0143317700000000 ] - [ 0.0004224500000000, -0.0008763000000000, 0.0020966300000000 ] - [ -0.0012052700000000, 0.0003653300000000, 0.0001928000000000 ] - [ 0.0003297900000000, -0.0002518300000000, 0.0002856500000000 ] - [ -0.0046555000000000, 0.0012229600000000, 0.0011668600000000 ] - [ -0.0002636700000000, -0.0009152300000000, 0.0033109500000000 ] - [ -0.0002781700000000, 0.0000803000000000, -0.0018579500000000 ] - [ 0.0104737600000000, -0.0023385600000000, -0.0140655300000000 ] - [ -0.0015213400000000, -0.0004285400000000, 0.0001769300000000 ] - [ -0.0006373500000000, 0.0001947600000000, -0.0017604300000000 ] - [ -0.0016811100000000, 0.0005464700000000, -0.0016239400000000 ] - [ -0.0055871500000000, 0.0018540400000000, -0.0013442900000000 ] - [ -0.0015470000000000, 0.0001797200000000, -0.0027566700000000 ] - [ -0.0029914800000000, 0.0010453200000000, 0.0035243100000000 ] - [ -0.0036892100000000, -0.0000114000000000, 0.0001903200000000 ] - [ 0.0570671800000000, -0.0054168400000000, -0.0000027900000000 ] - [ -0.0025382800000000, 0.0006753300000000, 0.0004219500000000 ] - [ 0.0609762200000000, -0.0009747200000000, -0.0030327400000000 ] - [ -0.0006943900000000, -0.0001373600000000, 0.0003532200000000 ] - [ -0.0003343300000000, -0.0007417800000000, 0.0004160700000000 ] - [ 0.0000465900000000, 0.0002891200000000, 0.0007855400000000 ] - [ 0.0011239900000000, -0.0002746600000000, 0.0002052200000000 ] - [ -0.0015244500000000, 0.0004884600000000, 0.0017822300000000 ] - [ 0.0018222100000000, 0.0000773600000000, -0.0002016100000000 ] - [ -0.0021271200000000, -0.0005688800000000, -0.0002433400000000 ] - [ 0.0032688400000000, 0.0012736900000000, 0.0028245500000000 ] - [ -0.0026215500000000, -0.0006965100000000, 0.0001832300000000 ] - [ 0.0022975900000000, -0.0002376200000000, -0.0008153100000000 ] - [ -0.0093676200000000, -0.0019813000000000, 0.0042124900000000 ] - [ -0.0058797500000000, -0.0046488100000000, 0.0007239600000000 ] - [ -0.0050362300000000, -0.0017403000000000, -0.0003080400000000 ] - [ -0.0013055100000000, -0.0005504000000000, -0.0005179600000000 ] - [ -0.0013795400000000, 0.0006311800000000, 0.0033274000000000 ] - [ -0.0002870600000000, 0.0004885700000000, 0.0026224000000000 ] - [ -0.0005118900000000, 0.0016786200000000, -0.0030082500000000 ] - [ 0.0065502500000000, 0.0007416000000000, 0.0001067400000000 ] - [ -0.0016717500000000, -0.0002430800000000, 0.0015782700000000 ] - [ -0.0044370700000000, 0.0030388800000000, -0.0018371400000000 ] - [ -0.0004261000000000, -0.0000036900000000, 0.0000610000000000 ] - [ -0.0033363600000000, -0.0006558100000000, -0.0075013100000000 ] - [ 0.0038143200000000, -0.0005918500000000, 0.0006047400000000 ] - [ -0.0001525700000000, -0.0008356700000000, 0.0004304900000000 ] - [ -0.0078233900000000, 0.0022424000000000, -0.0040949500000000 ] - [ -0.0021381800000000, -0.0014256200000000, -0.0025500000000000 ] - [ -0.0044954300000000, 0.0089418900000000, 0.0005388700000000 ] - [ -0.0022538100000000, -0.0003340500000000, -0.0002291200000000 ] - [ 0.0192212000000000, -0.0011963600000000, 0.0007862700000000 ] - [ 0.0007500400000000, 0.0005909700000000, -0.0000630800000000 ] - [ -0.0046245400000000, 0.0011533800000000, 0.0017708000000000 ] - [ -0.0038424600000000, -0.0010285500000000, -0.0019099200000000 ] - [ -0.0007755900000000, 0.0005146300000000, -0.0003233000000000 ] - [ -0.0013171600000000, 0.0008024800000000, 0.0005521600000000 ] - [ 0.1977635800000000, 0.0596668400000000, -0.0784531400000000 ] - [ 0.0022855400000000, 0.0005155600000000, -0.0001906400000000 ] - [ -0.0019459000000000, 0.0000666500000000, 0.0002769600000000 ] - [ -0.0018869500000000, 0.0005950200000000, -0.0004557900000000 ] - [ 0.0009856800000000, 0.0000726400000000, 0.0003718100000000 ] - [ -0.0057612700000000, -0.0018364600000000, 0.0011697200000000 ] - [ -0.0051507600000000, -0.0076871100000000, -0.0002745800000000 ] - [ -0.0038278700000000, -0.0001680700000000, 0.0088832300000000 ] - [ -0.0016276400000000, 0.0003358500000000, -0.0001562200000000 ] - [ 0.0012479000000000, 0.0008736600000000, -0.0023236900000000 ] - [ 0.0016349500000000, -0.0002677100000000, -0.0001923200000000 ] - [ 0.0022902500000000, -0.0015918000000000, -0.0027791000000000 ] - [ 0.0006085200000000, 0.0003827700000000, -0.0002979400000000 ] - [ -0.0001843000000000, 0.0004073000000000, 0.0014473500000000 ] - [ 0.0021996800000000, -0.0009303400000000, -0.0005859700000000 ] - [ 0.0000536300000000, -0.0007754600000000, -0.0018849900000000 ]- atom: 34 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0009108900000000, 0.0002061500000000, 0.0004685600000000 ] - [ 0.0006420600000000, -0.0086087500000000, -0.0079466100000000 ] - [ -0.0025998100000000, -0.0096889000000000, -0.0119512400000000 ] - [ -0.0009013300000000, 0.0002017700000000, -0.0003127300000000 ] - [ 0.0008099300000000, 0.0000108900000000, -0.0010017800000000 ] - [ -0.0009122600000000, -0.0000412400000000, -0.0004026500000000 ] - [ -0.0025122300000000, -0.0002827000000000, -0.0006637800000000 ] - [ -0.0025105400000000, -0.0000095100000000, 0.0008300800000000 ] - [ 0.0008129400000000, 0.0001677600000000, 0.0000649900000000 ] - [ -0.0024013700000000, -0.0000398600000000, -0.0014188400000000 ] - [ -0.0009668200000000, -0.0002642200000000, 0.0000544400000000 ] - [ -0.0023931100000000, 0.0001926700000000, 0.0007660300000000 ] - [ 0.0007654900000000, -0.0001889500000000, 0.0010179000000000 ] - [ 0.0009205000000000, -0.0002508100000000, 0.0005368500000000 ] - [ 0.0000508700000000, 0.0078757000000000, 0.0090031100000000 ] - [ -0.0018152500000000, 0.0106637400000000, 0.0092500700000000 ] - [ -0.0018293900000000, 0.0002504700000000, 0.0023984200000000 ] - [ -0.0002904400000000, -0.0000617800000000, -0.0000324200000000 ] - [ 0.0023932000000000, -0.0001233800000000, 0.0001002700000000 ] - [ -0.0024811400000000, 0.0000658900000000, -0.0000665700000000 ] - [ -0.0006964000000000, 0.0002464300000000, -0.0015400100000000 ] - [ -0.0144017300000000, -0.0005991800000000, 0.0007126100000000 ] - [ -0.0005002700000000, 0.0000381700000000, -0.0003507900000000 ] - [ 0.0027506200000000, 0.0000973200000000, 0.0002464500000000 ] - [ -0.0091776900000000, -0.0001648400000000, 0.0019448100000000 ] - [ 0.0023258300000000, 0.0012416300000000, 0.0012756300000000 ] - [ 0.0021134200000000, -0.0009477300000000, -0.0004742800000000 ] - [ -0.0023199300000000, 0.0012971000000000, 0.0004243900000000 ] - [ -0.0033575500000000, 0.0292227300000000, -0.0305490800000000 ] - [ -0.0074149500000000, -0.0279534700000000, 0.0314793000000000 ] - [ -0.0085077500000000, 0.0002424100000000, -0.0029028400000000 ] - [ -0.0023116400000000, -0.0010480000000000, -0.0011684400000000 ] - [ -0.0089119000000000, -0.0006134100000000, 0.0001786900000000 ] - [ 0.5619889600000000, 0.0046610800000000, -0.0038109200000000 ] - [ 0.0051767100000000, 0.0008163400000000, -0.0008749600000000 ] - [ -0.0022850100000000, 0.0006068200000000, 0.0000553800000000 ] - [ -0.0053973200000000, -0.0001494200000000, -0.0002317900000000 ] - [ -0.0036969500000000, 0.0000600100000000, -0.0003778100000000 ] - [ -0.0005551600000000, -0.0002528200000000, 0.0015251700000000 ] - [ -0.0080911300000000, -0.0032164700000000, 0.0048076500000000 ] - [ 0.0243476800000000, -0.0011987400000000, 0.0013128400000000 ] - [ -0.0015940000000000, 0.0017302100000000, 0.0037396700000000 ] - [ -0.0087846400000000, 0.0035836900000000, -0.0029954400000000 ] - [ -0.0001124300000000, -0.0003615300000000, -0.0011840000000000 ] - [ -0.0003621200000000, -0.0017607200000000, -0.0109115500000000 ] - [ 0.0028493100000000, 0.0001025600000000, 0.0002947500000000 ] - [ -0.0006777800000000, -0.0010701000000000, 0.0114268600000000 ] - [ -0.0015780500000000, -0.0004787200000000, -0.0034310300000000 ] - [ 0.0000674200000000, -0.0005699100000000, 0.0010084700000000 ] - [ -0.0024666000000000, -0.0001256800000000, -0.0024804900000000 ] - [ -0.0061218100000000, -0.0000129600000000, 0.0014681900000000 ] - [ 0.0000278700000000, 0.0001811100000000, 0.0002311600000000 ] - [ 0.0000244700000000, -0.0000960700000000, 0.0001902300000000 ] - [ -0.0008558400000000, 0.0000727400000000, -0.0002415100000000 ] - [ -0.0002619800000000, 0.0000190900000000, 0.0002113400000000 ] - [ -0.0000709300000000, 0.0008819900000000, -0.0014139800000000 ] - [ 0.0003314200000000, -0.0001002500000000, 0.0002597500000000 ] - [ -0.0000175900000000, 0.0011984900000000, 0.0021436700000000 ] - [ -0.0006783500000000, -0.0002985200000000, 0.0001042600000000 ] - [ -0.0009055500000000, 0.0007529800000000, 0.0001176700000000 ] - [ -0.0008136900000000, -0.0000818600000000, -0.0002300200000000 ] - [ -0.0004532900000000, 0.0002076900000000, 0.0000265400000000 ] - [ 0.0025282400000000, -0.0000886900000000, 0.0002660100000000 ] - [ -0.0008483500000000, -0.0002418600000000, -0.0018928000000000 ] - [ -0.2023976600000000, 0.0541611400000000, -0.0843495300000000 ] - [ -0.0024900700000000, -0.0010520200000000, 0.0001793900000000 ] - [ -0.0004656200000000, 0.0007928800000000, 0.0004339400000000 ] - [ 0.0000899800000000, 0.0001643700000000, 0.0002471500000000 ] - [ -0.0084185400000000, -0.0030138800000000, -0.0149227000000000 ] - [ -0.0004041300000000, 0.0016912900000000, -0.0026977200000000 ] - [ 0.0013771900000000, 0.0005997600000000, 0.0001009000000000 ] - [ -0.0008995000000000, 0.0001885900000000, 0.0001706800000000 ] - [ 0.0055122800000000, -0.0017132700000000, -0.0012759300000000 ] - [ 0.0000958400000000, -0.0000643900000000, -0.0030048900000000 ] - [ 0.0001324900000000, -0.0010433000000000, 0.0011421700000000 ] - [ -0.0104564000000000, 0.0025976200000000, 0.0146145100000000 ] - [ 0.0016932700000000, -0.0005380300000000, 0.0001128700000000 ] - [ 0.0004683500000000, 0.0007710500000000, 0.0020492900000000 ] - [ 0.0011212500000000, -0.0004829500000000, 0.0011637400000000 ] - [ 0.0055917500000000, -0.0015978100000000, 0.0008009800000000 ] - [ 0.0019288100000000, -0.0008502700000000, 0.0031175700000000 ] - [ 0.0024201600000000, -0.0011070800000000, -0.0039560000000000 ] - [ 0.0036708900000000, -0.0000568200000000, 0.0002818700000000 ] - [ -0.0568244800000000, 0.0028194100000000, -0.0002882400000000 ] - [ 0.0034965600000000, 0.0008210600000000, 0.0003688600000000 ] - [ -0.0614477400000000, 0.0022756400000000, 0.0055207200000000 ] - [ 0.0007257200000000, -0.0006832700000000, 0.0002550500000000 ] - [ 0.0012939000000000, -0.0007552200000000, 0.0003798800000000 ] - [ -0.0000211000000000, -0.0003553700000000, -0.0003072000000000 ] - [ -0.0015111700000000, -0.0003907400000000, 0.0001545200000000 ] - [ 0.0005602600000000, -0.0019880400000000, -0.0025810500000000 ] - [ -0.0018381500000000, -0.0000071300000000, -0.0002792400000000 ] - [ 0.0022736600000000, -0.0003956300000000, -0.0004752000000000 ] - [ -0.0023837500000000, -0.0007880800000000, -0.0027039100000000 ] - [ 0.0017588800000000, 0.0002159400000000, -0.0000775900000000 ] - [ -0.0023474500000000, 0.0010666000000000, 0.0001891700000000 ] - [ 0.0093312400000000, 0.0020452000000000, -0.0046748400000000 ] - [ 0.0049047300000000, 0.0031016900000000, 0.0000649300000000 ] - [ 0.0050637000000000, 0.0025492200000000, 0.0009077500000000 ] - [ 0.0013094900000000, 0.0002961600000000, -0.0000179400000000 ] - [ 0.0012379400000000, 0.0003267300000000, -0.0040415700000000 ] - [ 0.0001364500000000, 0.0004737900000000, -0.0019050800000000 ] - [ -0.0004553400000000, -0.0001896000000000, 0.0022284900000000 ] - [ -0.0055921200000000, 0.0007602200000000, -0.0008728700000000 ] - [ 0.0016604800000000, -0.0000098900000000, -0.0010444000000000 ] - [ 0.0042785700000000, -0.0021187200000000, 0.0015409300000000 ] - [ 0.0012803000000000, 0.0004821400000000, -0.0001577900000000 ] - [ 0.0032136000000000, -0.0003116300000000, 0.0082752600000000 ] - [ -0.0036655800000000, -0.0003719700000000, 0.0001294000000000 ] - [ -0.0000224900000000, -0.0001317400000000, -0.0007194900000000 ] - [ 0.0078996800000000, -0.0021716500000000, 0.0045722300000000 ] - [ 0.0021334900000000, 0.0016858200000000, 0.0031037600000000 ] - [ 0.0045106500000000, -0.0092002600000000, -0.0010947300000000 ] - [ 0.0018643400000000, -0.0003310700000000, -0.0001260000000000 ] - [ -0.0192372700000000, 0.0011704500000000, -0.0012697500000000 ] - [ -0.0005765400000000, 0.0003790700000000, -0.0002264700000000 ] - [ 0.0037633800000000, -0.0006732700000000, -0.0016709100000000 ] - [ 0.0044076800000000, 0.0009648900000000, 0.0014521900000000 ] - [ 0.0009226000000000, 0.0004486700000000, -0.0003935200000000 ] - [ 0.0012897900000000, 0.0000182400000000, 0.0000542300000000 ] - [ -0.2075624800000000, -0.0651758700000000, 0.0859026400000000 ] - [ -0.0021453900000000, 0.0005252900000000, 0.0008033900000000 ] - [ 0.0019269900000000, 0.0000023300000000, 0.0002029200000000 ] - [ 0.0024518700000000, -0.0005308600000000, 0.0000041000000000 ] - [ -0.0018403500000000, -0.0005509700000000, -0.0004758200000000 ] - [ 0.0057270800000000, 0.0010179900000000, -0.0005718500000000 ] - [ 0.0045577600000000, 0.0077328800000000, 0.0007089400000000 ] - [ 0.0041849200000000, 0.0008350000000000, -0.0091633700000000 ] - [ 0.0012381400000000, 0.0003306000000000, -0.0002020500000000 ] - [ -0.0003784700000000, -0.0013573900000000, 0.0024283600000000 ] - [ -0.0010718300000000, 0.0003326500000000, 0.0006457500000000 ] - [ -0.0022862200000000, 0.0007816800000000, 0.0021877100000000 ] - [ -0.0006087000000000, -0.0001267800000000, -0.0002382100000000 ] - [ 0.0005699100000000, 0.0002589800000000, -0.0010878000000000 ] - [ -0.0012397200000000, -0.0005636000000000, -0.0002335100000000 ] - [ 0.0003382500000000, 0.0001089500000000, 0.0015271000000000 ]- atom: 34 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000005600000000, 0.0001891900000000, -0.0001448100000000 ] - [ 0.0090154900000000, -0.0015430800000000, 0.0093137400000000 ] - [ 0.0074791700000000, 0.0087303800000000, 0.0076477500000000 ] - [ -0.0000739100000000, -0.0000542000000000, -0.0000486300000000 ] - [ -0.0000307500000000, 0.0000966700000000, -0.0004608000000000 ] - [ 0.0000024800000000, 0.0000598900000000, -0.0000789200000000 ] - [ 0.0001125200000000, 0.0001078500000000, 0.0001579300000000 ] - [ -0.0000844800000000, -0.0002612100000000, 0.0002389200000000 ] - [ -0.0003927300000000, -0.0003894500000000, -0.0000052100000000 ] - [ 0.0001344900000000, -0.0002430700000000, -0.0001956600000000 ] - [ 0.0000794100000000, -0.0000852900000000, -0.0004780600000000 ] - [ -0.0001140300000000, 0.0004113600000000, 0.0001382400000000 ] - [ -0.0000052100000000, 0.0002681300000000, -0.0005510000000000 ] - [ 0.0004297100000000, -0.0004976100000000, -0.0003878500000000 ] - [ -0.0051325200000000, 0.0096093900000000, 0.0063900800000000 ] - [ -0.0113739600000000, -0.0011177800000000, 0.0102904500000000 ] - [ -0.0000984800000000, -0.0005417100000000, -0.0006142400000000 ] - [ 0.0005186600000000, -0.0000735900000000, -0.0001427300000000 ] - [ 0.0006817500000000, -0.0017578300000000, 0.0039322000000000 ] - [ 0.0005332500000000, 0.0000991000000000, 0.0000435500000000 ] - [ -0.0013139900000000, 0.0001557500000000, -0.0001216600000000 ] - [ -0.0043012500000000, -0.0025072700000000, 0.0012368900000000 ] - [ -0.0003745900000000, 0.0000397900000000, -0.0002147200000000 ] - [ 0.0004738500000000, 0.0015339000000000, 0.0003099900000000 ] - [ 0.0016654800000000, 0.0012860500000000, 0.0002859200000000 ] - [ 0.0009410200000000, 0.0023745200000000, -0.0008224600000000 ] - [ -0.0007832900000000, 0.0023175100000000, -0.0000460400000000 ] - [ 0.0001910500000000, 0.0004143400000000, -0.0008037300000000 ] - [ -0.0100517300000000, 0.0152395200000000, -0.0118092500000000 ] - [ 0.0100636900000000, 0.0162931200000000, -0.0109462800000000 ] - [ -0.0012735200000000, 0.0011814200000000, -0.0004169500000000 ] - [ -0.0002637200000000, 0.0002977600000000, -0.0000137500000000 ] - [ 0.0000039000000000, -0.0014674000000000, 0.0003447200000000 ] - [ 0.0019167500000000, -0.6164407200000001, -0.0421547400000000 ] - [ 0.0002419900000000, -0.0000803700000000, -0.0219744000000000 ] - [ 0.0000400900000000, 0.0005653800000000, -0.0002521500000000 ] - [ 0.0004575900000000, -0.0004242500000000, -0.0006864700000000 ] - [ 0.0003666800000000, -0.0000611900000000, -0.0002590800000000 ] - [ -0.0005621500000000, -0.0002701800000000, -0.0003280400000000 ] - [ 0.0037459900000000, 0.0047708100000000, 0.0014131800000000 ] - [ -0.0004252400000000, -0.0126069000000000, -0.0018960900000000 ] - [ -0.0003844700000000, 0.0015876900000000, -0.0001272900000000 ] - [ -0.0038857200000000, 0.0033772100000000, 0.0008710300000000 ] - [ 0.0001261200000000, -0.0007984200000000, -0.0003659000000000 ] - [ 0.0008200500000000, -0.0022874900000000, 0.0008969500000000 ] - [ 0.0004112900000000, -0.0001079900000000, -0.0006150800000000 ] - [ -0.0013922400000000, -0.0030163100000000, 0.0016778000000000 ] - [ 0.0001763900000000, 0.0004967300000000, -0.0002698000000000 ] - [ 0.0000695400000000, 0.0002385100000000, -0.0001077100000000 ] - [ -0.0005501200000000, -0.0022990000000000, -0.0009606400000000 ] - [ 0.0032183700000000, -0.0006470100000000, -0.0000679000000000 ] - [ -0.0000481900000000, 0.0000410400000000, 0.0001519500000000 ] - [ 0.0003705900000000, 0.0000819500000000, -0.0003106500000000 ] - [ -0.0000302500000000, 0.0000943100000000, -0.0002194300000000 ] - [ -0.0001320900000000, -0.0008376600000000, -0.0003957200000000 ] - [ 0.0000846700000000, -0.0003098200000000, -0.0000756100000000 ] - [ -0.0000293000000000, -0.0002834100000000, 0.0001406200000000 ] - [ 0.0008815500000000, -0.0004129500000000, -0.0008405000000000 ] - [ -0.0001177500000000, -0.0003531000000000, 0.0001296800000000 ] - [ -0.0030311700000000, 0.0559896400000000, -0.0409102000000000 ] - [ -0.0000676700000000, -0.0000971800000000, -0.0002260600000000 ] - [ -0.0000892000000000, 0.0000043600000000, -0.0001993600000000 ] - [ -0.0001833600000000, 0.0113536100000000, 0.0026172300000000 ] - [ -0.0004636900000000, -0.0004058200000000, -0.0007173500000000 ] - [ -0.0567967900000000, 0.0816837600000000, -0.0376044600000000 ] - [ -0.0037800200000000, -0.0031933600000000, 0.0053854100000000 ] - [ -0.0006052500000000, 0.0009269200000000, 0.0005695800000000 ] - [ 0.0006494700000000, -0.0003392500000000, -0.0000052600000000 ] - [ 0.0011637100000000, 0.0016372600000000, 0.0055578600000000 ] - [ -0.0001909000000000, -0.0007783500000000, -0.0000723700000000 ] - [ 0.0000955500000000, 0.0006663200000000, 0.0000637400000000 ] - [ -0.0000624200000000, -0.0001297200000000, 0.0003435800000000 ] - [ 0.0011940100000000, -0.0011895400000000, -0.0008945600000000 ] - [ -0.0006235300000000, 0.0011504000000000, 0.0002892500000000 ] - [ -0.0000443700000000, -0.0003529900000000, -0.0000498500000000 ] - [ -0.0014544300000000, 0.0019327800000000, 0.0055358300000000 ] - [ 0.0000594500000000, -0.0002258400000000, 0.0002595000000000 ] - [ -0.0003142900000000, 0.0005706900000000, -0.0000226300000000 ] - [ -0.0003155100000000, -0.0005223500000000, -0.0000295000000000 ] - [ -0.0004126600000000, 0.0003502500000000, -0.0005969400000000 ] - [ 0.0007542400000000, -0.0014581300000000, 0.0000805100000000 ] - [ 0.0002263900000000, 0.0000395700000000, -0.0008935600000000 ] - [ -0.0000425100000000, -0.0001998900000000, 0.0001047300000000 ] - [ -0.0035093300000000, 0.2994578400000000, 0.0218647000000000 ] - [ 0.0004469900000000, 0.0011045300000000, 0.0003385900000000 ] - [ -0.0020038500000000, 0.0948119600000000, 0.0963856300000000 ] - [ -0.0000636500000000, -0.0004334100000000, 0.0003460300000000 ] - [ 0.0004804600000000, -0.0007251900000000, 0.0004814500000000 ] - [ -0.0006340300000000, -0.0003865000000000, 0.0004271200000000 ] - [ -0.0001995100000000, -0.0006799800000000, 0.0007207800000000 ] - [ -0.0000659300000000, -0.0007146000000000, -0.0007974800000000 ] - [ -0.0000346200000000, -0.0005436400000000, -0.0003252800000000 ] - [ 0.0001215900000000, -0.0002609400000000, -0.0006414700000000 ] - [ 0.0013210600000000, 0.0001508800000000, -0.0015745900000000 ] - [ -0.0003010400000000, -0.0002489300000000, 0.0000691100000000 ] - [ 0.0035285500000000, -0.0023155100000000, 0.0049385500000000 ] - [ -0.0045073700000000, -0.0021561500000000, 0.0014866600000000 ] - [ -0.0027917100000000, -0.0004179000000000, -0.0004650900000000 ] - [ -0.0006606300000000, -0.0005877800000000, -0.0003710200000000 ] - [ 0.0001128500000000, -0.0000910100000000, -0.0001298600000000 ] - [ -0.0011956700000000, -0.0002646500000000, -0.0004926200000000 ] - [ -0.0000305600000000, 0.0003034800000000, 0.0006476500000000 ] - [ -0.0000861400000000, 0.0017718200000000, -0.0005736500000000 ] - [ 0.0007409700000000, 0.0055081800000000, -0.0063222200000000 ] - [ -0.0000146900000000, -0.0007075700000000, 0.0005391500000000 ] - [ 0.0025317600000000, 0.0009111900000000, -0.0001956800000000 ] - [ 0.0004690400000000, 0.0001944600000000, 0.0001055700000000 ] - [ -0.0009693700000000, 0.0012515900000000, -0.0003667400000000 ] - [ 0.0001534500000000, 0.0019853400000000, 0.0011782900000000 ] - [ 0.0000089600000000, -0.0003942900000000, 0.0000808700000000 ] - [ 0.0035063800000000, -0.0019972800000000, 0.0015328400000000 ] - [ -0.0002780800000000, 0.0001026400000000, 0.0000933000000000 ] - [ -0.0004970500000000, -0.0062586400000000, -0.0012968400000000 ] - [ -0.0001908900000000, -0.0003801900000000, -0.0002064600000000 ] - [ 0.0002194600000000, -0.0106715000000000, 0.0021448000000000 ] - [ 0.0000962600000000, 0.0009200500000000, 0.0005209200000000 ] - [ -0.0008976800000000, 0.0004569900000000, 0.0004120100000000 ] - [ 0.0006265200000000, 0.0001387500000000, 0.0000365700000000 ] - [ 0.0000633700000000, 0.0005505200000000, -0.0001137000000000 ] - [ -0.0001121500000000, 0.0004426200000000, 0.0004362700000000 ] - [ 0.0624339200000000, 0.0855312600000000, -0.0368622300000000 ] - [ 0.0015822400000000, -0.0290381100000000, 0.0313528900000000 ] - [ 0.0000345500000000, -0.0000287300000000, 0.0002290800000000 ] - [ 0.0001926400000000, -0.0000112800000000, -0.0001979100000000 ] - [ -0.0003913400000000, -0.0002026600000000, 0.0007327900000000 ] - [ 0.0003924900000000, -0.0002354400000000, 0.0000768800000000 ] - [ 0.0008698800000000, -0.0061114200000000, -0.0006725300000000 ] - [ 0.0020491900000000, 0.0016619300000000, -0.0023025300000000 ] - [ -0.0002117600000000, 0.0003433100000000, 0.0001242800000000 ] - [ 0.0004435800000000, -0.0014923300000000, 0.0000654000000000 ] - [ 0.0001600300000000, 0.0000338600000000, 0.0010169000000000 ] - [ -0.0010707700000000, -0.0006530100000000, -0.0017763600000000 ] - [ -0.0001660900000000, -0.0000075500000000, -0.0002444700000000 ] - [ 0.0001163700000000, 0.0004425800000000, 0.0006809000000000 ] - [ 0.0003885800000000, 0.0027306500000000, 0.0028969000000000 ] - [ 0.0001004000000000, -0.0003863900000000, -0.0000209400000000 ]- atom: 34 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000004400000000, 0.0000769100000000, 0.0001435500000000 ] - [ -0.0089607000000000, 0.0015343800000000, -0.0092426800000000 ] - [ -0.0076036100000000, -0.0087281000000000, -0.0078374800000000 ] - [ 0.0000734900000000, 0.0000537300000000, 0.0000483800000000 ] - [ 0.0000307100000000, -0.0003594100000000, 0.0004577600000000 ] - [ -0.0000014500000000, -0.0000586800000000, 0.0002041700000000 ] - [ -0.0001122400000000, -0.0003702000000000, -0.0001564400000000 ] - [ 0.0000851800000000, 0.0002585600000000, -0.0002378700000000 ] - [ 0.0003892700000000, 0.0003868200000000, 0.0008535100000000 ] - [ -0.0001346300000000, 0.0002407100000000, -0.0006553400000000 ] - [ -0.0000791100000000, 0.0000846300000000, -0.0003743400000000 ] - [ 0.0001153800000000, -0.0004074100000000, -0.0000113700000000 ] - [ 0.0000041200000000, -0.0002656800000000, 0.0004216800000000 ] - [ -0.0004254500000000, 0.0004939100000000, 0.0003848300000000 ] - [ 0.0052417300000000, -0.0093635800000000, -0.0064512900000000 ] - [ 0.0112973300000000, 0.0011139700000000, -0.0093589800000000 ] - [ -0.0009399500000000, 0.0004214800000000, 0.0007130500000000 ] - [ 0.0005229500000000, -0.0000454700000000, 0.0000365100000000 ] - [ 0.0003579800000000, 0.0016516600000000, -0.0038620700000000 ] - [ 0.0005087900000000, 0.0000183600000000, -0.0001480200000000 ] - [ 0.0002661200000000, -0.0000382900000000, 0.0002251100000000 ] - [ 0.0032326200000000, 0.0023838600000000, -0.0013391800000000 ] - [ -0.0006655600000000, 0.0000775800000000, 0.0001076500000000 ] - [ 0.0005678100000000, -0.0014201700000000, -0.0001930700000000 ] - [ -0.0016531000000000, -0.0012730400000000, -0.0002832000000000 ] - [ -0.0009305500000000, -0.0023569100000000, 0.0008098700000000 ] - [ 0.0007738100000000, -0.0023008600000000, 0.0017454500000000 ] - [ -0.0001879700000000, -0.0004114100000000, -0.0009075900000000 ] - [ 0.0101457700000000, -0.0151697700000000, 0.0119217900000000 ] - [ -0.0101718800000000, -0.0162180300000000, 0.0127544000000000 ] - [ 0.0012664200000000, -0.0011687500000000, -0.0012896800000000 ] - [ 0.0002612000000000, -0.0002951700000000, 0.0000133900000000 ] - [ 0.0000726700000000, 0.0001869700000000, -0.0002610600000000 ] - [ -0.0002184300000000, 0.5921785400000000, 0.0410662500000000 ] - [ -0.0001698800000000, 0.0013569800000000, 0.0217134800000000 ] - [ 0.0000351000000000, 0.0007081500000000, 0.0003288700000000 ] - [ 0.0003086900000000, 0.0002723400000000, 0.0001695400000000 ] - [ 0.0003984100000000, 0.0002085100000000, -0.0002528700000000 ] - [ -0.0002059900000000, 0.0001196500000000, 0.0008342500000000 ] - [ -0.0037806300000000, -0.0035180100000000, -0.0013382400000000 ] - [ 0.0004996900000000, 0.0112870900000000, 0.0017781400000000 ] - [ 0.0002996400000000, -0.0003181800000000, 0.0000453900000000 ] - [ 0.0030825400000000, -0.0032395700000000, -0.0003650900000000 ] - [ -0.0001990100000000, -0.0004765400000000, 0.0004418800000000 ] - [ -0.0008949400000000, 0.0010113800000000, -0.0009550400000000 ] - [ 0.0003531800000000, 0.0002540700000000, 0.0011197900000000 ] - [ 0.0006234700000000, 0.0028564300000000, -0.0021664900000000 ] - [ -0.0009327700000000, -0.0003512900000000, -0.0002406900000000 ] - [ 0.0001303900000000, 0.0000337500000000, 0.0001883000000000 ] - [ 0.0007574500000000, 0.0020125000000000, 0.0010381300000000 ] - [ -0.0031046400000000, 0.0004749700000000, 0.0005424400000000 ] - [ 0.0001324200000000, 0.0001291200000000, 0.0003268100000000 ] - [ -0.0002826200000000, 0.0000880000000000, -0.0001695000000000 ] - [ -0.0000544700000000, 0.0000761900000000, -0.0002598700000000 ] - [ -0.0000683200000000, 0.0005585900000000, 0.0004708800000000 ] - [ 0.0001148800000000, 0.0000373800000000, -0.0000072300000000 ] - [ -0.0000556300000000, 0.0001119400000000, 0.0003376300000000 ] - [ -0.0006804200000000, 0.0006766900000000, 0.0007533200000000 ] - [ -0.0000822400000000, 0.0000789600000000, -0.0002094300000000 ] - [ 0.0028151300000000, -0.0552383100000000, 0.0408905200000000 ] - [ -0.0000173400000000, -0.0000735100000000, -0.0002533700000000 ] - [ -0.0001105600000000, 0.0002661100000000, 0.0001158800000000 ] - [ 0.0000977400000000, -0.0112945900000000, -0.0021750000000000 ] - [ 0.0005438500000000, 0.0002340600000000, 0.0002342100000000 ] - [ 0.0567442600000000, -0.0806296000000000, 0.0378475200000000 ] - [ 0.0037775900000000, 0.0029268000000000, -0.0048201200000000 ] - [ -0.0003569400000000, 0.0005707500000000, 0.0002249500000000 ] - [ -0.0006270400000000, 0.0002695400000000, -0.0004674600000000 ] - [ -0.0011839700000000, -0.0024569000000000, -0.0061247700000000 ] - [ 0.0002307700000000, 0.0015963300000000, -0.0005381400000000 ] - [ 0.0000773600000000, 0.0003014600000000, 0.0002270800000000 ] - [ -0.0004977400000000, 0.0000640500000000, 0.0001147600000000 ] - [ -0.0003248300000000, 0.0007051500000000, 0.0007868700000000 ] - [ 0.0004483200000000, -0.0021056500000000, 0.0000021800000000 ] - [ -0.0001037000000000, -0.0006098700000000, -0.0006649500000000 ] - [ 0.0014509800000000, -0.0016841500000000, -0.0049619100000000 ] - [ 0.0001128500000000, -0.0007378500000000, 0.0000342500000000 ] - [ 0.0001402600000000, 0.0003994900000000, 0.0003157400000000 ] - [ -0.0002514200000000, 0.0005825300000000, -0.0004246300000000 ] - [ 0.0004147100000000, -0.0000952700000000, 0.0000561400000000 ] - [ -0.0003542400000000, 0.0007935200000000, 0.0002763100000000 ] - [ -0.0007874700000000, -0.0001038100000000, 0.0004311700000000 ] - [ 0.0000243700000000, 0.0001304000000000, 0.0003686700000000 ] - [ 0.0033009000000000, -0.2786070600000000, -0.0204974600000000 ] - [ 0.0005124800000000, 0.0003962800000000, 0.0004537700000000 ] - [ 0.0016349800000000, -0.0932321500000000, -0.0970988700000000 ] - [ 0.0000902500000000, -0.0003859300000000, 0.0002575500000000 ] - [ 0.0004793600000000, -0.0007719900000000, 0.0003131300000000 ] - [ 0.0006453600000000, 0.0003161700000000, 0.0000490100000000 ] - [ -0.0001880800000000, 0.0000125300000000, -0.0003597600000000 ] - [ -0.0008931700000000, -0.0007769300000000, 0.0000052200000000 ] - [ 0.0000178100000000, 0.0006074500000000, -0.0001470800000000 ] - [ 0.0000261900000000, -0.0007003500000000, -0.0000795100000000 ] - [ -0.0004631000000000, 0.0003229500000000, 0.0016641000000000 ] - [ -0.0005564500000000, -0.0002304800000000, 0.0000327800000000 ] - [ -0.0035473300000000, 0.0031207400000000, -0.0055174400000000 ] - [ 0.0044669800000000, 0.0021979600000000, -0.0019337800000000 ] - [ 0.0018301600000000, -0.0010593400000000, 0.0012560100000000 ] - [ 0.0006752100000000, 0.0014036000000000, 0.0009703700000000 ] - [ -0.0001054600000000, -0.0001622700000000, -0.0004063500000000 ] - [ 0.0010373100000000, 0.0012343700000000, -0.0002228800000000 ] - [ -0.0001149900000000, 0.0006606500000000, 0.0000721300000000 ] - [ -0.0008703000000000, -0.0002677600000000, -0.0002243700000000 ] - [ 0.0002201000000000, -0.0039777000000000, 0.0055143100000000 ] - [ 0.0000110200000000, 0.0004496800000000, 0.0000008700000000 ] - [ -0.0026993400000000, 0.0000739800000000, -0.0000967000000000 ] - [ 0.0003903200000000, 0.0002849800000000, -0.0002059400000000 ] - [ 0.0008097900000000, -0.0022100200000000, 0.0010721300000000 ] - [ -0.0000045100000000, -0.0029363300000000, -0.0004464000000000 ] - [ -0.0001806000000000, -0.0005703500000000, -0.0003705800000000 ] - [ -0.0034433100000000, 0.0020426300000000, -0.0010387400000000 ] - [ 0.0002707100000000, 0.0001490100000000, 0.0004403000000000 ] - [ 0.0004490800000000, 0.0060183700000000, 0.0007533700000000 ] - [ -0.0001974100000000, -0.0002856500000000, -0.0001515000000000 ] - [ -0.0002335100000000, 0.0106429200000000, -0.0026394400000000 ] - [ 0.0000771800000000, 0.0000510400000000, -0.0008061400000000 ] - [ 0.0000342500000000, 0.0000246200000000, -0.0003063900000000 ] - [ -0.0000608500000000, -0.0002021100000000, -0.0004897800000000 ] - [ 0.0000835500000000, 0.0004137000000000, -0.0006020900000000 ] - [ 0.0000821900000000, 0.0003782800000000, 0.0001693000000000 ] - [ -0.0631774100000000, -0.0852442900000000, 0.0379163600000000 ] - [ -0.0014307900000000, 0.0299622800000000, -0.0305002200000000 ] - [ -0.0000517700000000, 0.0000963100000000, 0.0002455300000000 ] - [ 0.0003698600000000, 0.0000759800000000, -0.0002577800000000 ] - [ -0.0004664000000000, -0.0002763100000000, -0.0008283500000000 ] - [ -0.0004180500000000, -0.0005838500000000, 0.0005254400000000 ] - [ -0.0013957000000000, 0.0061811400000000, 0.0011236900000000 ] - [ -0.0016483300000000, -0.0010007500000000, 0.0019260000000000 ] - [ -0.0001774200000000, 0.0003228000000000, -0.0004789700000000 ] - [ 0.0004039400000000, 0.0010119600000000, 0.0000285100000000 ] - [ 0.0004038800000000, 0.0000305600000000, -0.0005548100000000 ] - [ 0.0010981900000000, -0.0001752300000000, 0.0011622400000000 ] - [ 0.0001571500000000, 0.0002598800000000, -0.0002919900000000 ] - [ 0.0002722500000000, 0.0002240400000000, -0.0003188800000000 ] - [ 0.0005718000000000, -0.0042020100000000, -0.0036611400000000 ] - [ 0.0002856300000000, -0.0002788900000000, -0.0003368000000000 ]- atom: 34 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0001838300000000, 0.0002063300000000, 0.0009887200000000 ] - [ 0.0053571900000000, 0.0073505700000000, 0.0034469700000000 ] - [ 0.0120992100000000, 0.0081057400000000, -0.0050358000000000 ] - [ 0.0005331500000000, -0.0001298600000000, 0.0007352700000000 ] - [ 0.0005107800000000, -0.0005982900000000, 0.0024980600000000 ] - [ 0.0002422700000000, 0.0000766100000000, 0.0011001300000000 ] - [ 0.0004575200000000, 0.0002092900000000, -0.0013364900000000 ] - [ -0.0006533000000000, 0.0001407400000000, -0.0003860100000000 ] - [ 0.0010197800000000, -0.0001851100000000, 0.0030841300000000 ] - [ 0.0007716800000000, 0.0001196000000000, -0.0005424100000000 ] - [ -0.0006562900000000, -0.0001965000000000, 0.0002598100000000 ] - [ -0.0006782200000000, 0.0004036900000000, -0.0012906900000000 ] - [ -0.0004355200000000, -0.0004804700000000, 0.0023226500000000 ] - [ -0.0012065700000000, -0.0003632000000000, 0.0027765300000000 ] - [ -0.0100859500000000, 0.0081891500000000, -0.0045062600000000 ] - [ -0.0065520800000000, 0.0080062500000000, 0.0024031600000000 ] - [ -0.0021594700000000, 0.0001464100000000, 0.0016756300000000 ] - [ 0.0004902600000000, -0.0000977100000000, 0.0008503400000000 ] - [ 0.0008615000000000, -0.0009164200000000, 0.0201138200000000 ] - [ 0.0005742000000000, 0.0000151800000000, -0.0009996100000000 ] - [ 0.0011929600000000, -0.0000968200000000, -0.0005740800000000 ] - [ 0.0054094200000000, 0.0011457400000000, -0.0052061100000000 ] - [ -0.0007808900000000, 0.0000707100000000, 0.0015909900000000 ] - [ 0.0005685500000000, 0.0006499700000000, 0.0025224600000000 ] - [ -0.0032129700000000, -0.0007431100000000, -0.0009646700000000 ] - [ -0.0026485300000000, 0.0013875700000000, 0.0082319700000000 ] - [ 0.0025527000000000, 0.0011431500000000, 0.0087094500000000 ] - [ -0.0018320000000000, 0.0007645400000000, 0.0013727100000000 ] - [ 0.0145753500000000, -0.0171678800000000, 0.0138497400000000 ] - [ -0.0142829600000000, -0.0150514100000000, 0.0136771200000000 ] - [ 0.0032658100000000, -0.0006318400000000, -0.0018965400000000 ] - [ 0.0015162400000000, 0.0006382700000000, 0.0020946400000000 ] - [ 0.0001511400000000, -0.0000545600000000, -0.0036831700000000 ] - [ -0.0044353200000000, -0.0351654600000000, -0.6675204600000000 ] - [ 0.0013389900000000, -0.0050844600000000, -0.0006633700000000 ] - [ -0.0000091400000000, 0.0008572600000000, 0.0028084900000000 ] - [ 0.0004062500000000, 0.0003523600000000, 0.0019198500000000 ] - [ 0.0002649100000000, 0.0000716600000000, -0.0022182300000000 ] - [ 0.0008830800000000, -0.0006556600000000, 0.0052441000000000 ] - [ 0.0030521900000000, 0.0012409100000000, -0.0096937500000000 ] - [ -0.0012452700000000, -0.0001008200000000, 0.0158112400000000 ] - [ -0.0032166800000000, 0.0007036000000000, 0.0039664400000000 ] - [ -0.0036249700000000, -0.0005451700000000, -0.0082410900000000 ] - [ -0.0012785600000000, -0.0010736100000000, 0.0055053800000000 ] - [ 0.0105101500000000, -0.0031616000000000, -0.0018159400000000 ] - [ 0.0003439800000000, 0.0009472700000000, 0.0077326700000000 ] - [ -0.0121062800000000, -0.0019939900000000, -0.0006986200000000 ] - [ 0.0028035500000000, 0.0000630100000000, 0.0035922000000000 ] - [ -0.0000046300000000, -0.0015430100000000, 0.0022106800000000 ] - [ 0.0008208900000000, -0.0035701500000000, -0.0052453000000000 ] - [ -0.0035601500000000, 0.0003647500000000, 0.0003294500000000 ] - [ 0.0001048700000000, 0.0000940300000000, 0.0007930200000000 ] - [ -0.0007436700000000, 0.0001483700000000, -0.0000990100000000 ] - [ -0.0000321400000000, 0.0000166400000000, -0.0001968200000000 ] - [ 0.0001513700000000, 0.0034857700000000, 0.0044904900000000 ] - [ 0.0005031500000000, -0.0017764100000000, 0.0022050000000000 ] - [ -0.0000197700000000, -0.0003595700000000, 0.0013893100000000 ] - [ -0.0008879200000000, -0.0027461400000000, -0.0031403100000000 ] - [ -0.0000768700000000, 0.0007040500000000, -0.0012414000000000 ] - [ -0.0010957300000000, 0.0057861500000000, -0.0193624800000000 ] - [ -0.0000846900000000, -0.0001819200000000, -0.0001976100000000 ] - [ -0.0001409800000000, 0.0009835100000000, 0.0010870800000000 ] - [ 0.0000210800000000, -0.0027195200000000, -0.0024664600000000 ] - [ 0.0009785700000000, 0.0001708600000000, 0.0003865400000000 ] - [ 0.0934622100000000, -0.0398922700000000, 0.1170300100000000 ] - [ 0.0014683800000000, -0.0006364800000000, -0.0021356000000000 ] - [ -0.0000005300000000, 0.0004680400000000, -0.0015004300000000 ] - [ -0.0013299500000000, -0.0002267100000000, -0.0017245600000000 ] - [ 0.0015067500000000, -0.0001758000000000, -0.0057350800000000 ] - [ 0.0027388300000000, 0.0019485700000000, -0.0022913500000000 ] - [ 0.0000956700000000, 0.0002070800000000, 0.0010326000000000 ] - [ -0.0019745600000000, 0.0008384900000000, -0.0032108100000000 ] - [ 0.0010659100000000, 0.0004297000000000, 0.0018978600000000 ] - [ 0.0024559900000000, 0.0018368900000000, 0.0014259100000000 ] - [ -0.0003433700000000, 0.0002916000000000, -0.0043429400000000 ] - [ -0.0003567800000000, 0.0003796200000000, -0.0062666500000000 ] - [ 0.0001135200000000, -0.0010225200000000, -0.0007618400000000 ] - [ -0.0012923700000000, 0.0009161900000000, -0.0018443200000000 ] - [ -0.0015167700000000, 0.0003029700000000, -0.0007808000000000 ] - [ 0.0009273900000000, -0.0004637500000000, 0.0012771600000000 ] - [ -0.0007223800000000, -0.0015019200000000, 0.0051833500000000 ] - [ 0.0030161200000000, -0.0008133700000000, -0.0011379900000000 ] - [ -0.0000467200000000, -0.0000494000000000, 0.0005797000000000 ] - [ 0.0004799700000000, 0.0160398600000000, 0.0748184300000000 ] - [ 0.0003838800000000, 0.0008753700000000, 0.0013908000000000 ] - [ -0.0046844700000000, 0.0911310800000000, 0.3434814600000000 ] - [ 0.0001539100000000, -0.0000262700000000, -0.0014444300000000 ] - [ 0.0005124700000000, -0.0005539500000000, -0.0005010100000000 ] - [ 0.0017639500000000, -0.0005161000000000, -0.0012980700000000 ] - [ -0.0001895600000000, 0.0002739200000000, -0.0046034200000000 ] - [ 0.0010176100000000, -0.0014097400000000, -0.0015402300000000 ] - [ -0.0001416100000000, -0.0006049100000000, -0.0042385000000000 ] - [ 0.0001144200000000, -0.0009258900000000, 0.0023016500000000 ] - [ 0.0077710700000000, 0.0005427600000000, -0.0035184100000000 ] - [ -0.0011041200000000, -0.0005099900000000, 0.0004403900000000 ] - [ -0.0022070700000000, 0.0006047100000000, -0.0021037400000000 ] - [ 0.0053825500000000, 0.0013693400000000, -0.0019470100000000 ] - [ -0.0030425800000000, -0.0025726900000000, 0.0034031900000000 ] - [ -0.0010695200000000, 0.0004199100000000, 0.0022455400000000 ] - [ -0.0005035800000000, -0.0005260000000000, -0.0014329400000000 ] - [ 0.0007643000000000, 0.0012727100000000, 0.0061803500000000 ] - [ 0.0004178500000000, 0.0012305900000000, -0.0030022800000000 ] - [ -0.0028045200000000, 0.0018907100000000, -0.0004630900000000 ] - [ 0.0007595000000000, -0.0009190300000000, -0.0053848600000000 ] - [ 0.0013027000000000, -0.0000933900000000, -0.0003283300000000 ] - [ 0.0012356100000000, 0.0015532400000000, 0.0045022500000000 ] - [ 0.0004995100000000, 0.0007245900000000, -0.0018697300000000 ] - [ -0.0039142400000000, 0.0014270900000000, 0.0051680700000000 ] - [ 0.0001340800000000, -0.0020552300000000, -0.0073582300000000 ] - [ -0.0003255300000000, 0.0003196300000000, -0.0023676400000000 ] - [ -0.0046358200000000, 0.0012038500000000, -0.0013031800000000 ] - [ -0.0032569100000000, -0.0007674300000000, -0.0001176600000000 ] - [ -0.0043927500000000, 0.0065354300000000, 0.0048912600000000 ] - [ -0.0001695400000000, -0.0002042800000000, 0.0014149000000000 ] - [ 0.0001791600000000, 0.0081700000000000, -0.0026020500000000 ] - [ -0.0000206700000000, -0.0011785700000000, -0.0043593800000000 ] - [ 0.0006235500000000, -0.0001738300000000, -0.0007919900000000 ] - [ -0.0007877100000000, -0.0004660700000000, -0.0010241000000000 ] - [ 0.0000872800000000, 0.0000819200000000, -0.0024312200000000 ] - [ 0.0005175200000000, -0.0000027100000000, -0.0009558500000000 ] - [ -0.0876888200000000, -0.0398565100000000, 0.1113484100000000 ] - [ 0.0002567000000000, -0.0120555000000000, 0.0135146500000000 ] - [ 0.0000709600000000, -0.0001331700000000, -0.0004840800000000 ] - [ 0.0010852700000000, -0.0003247600000000, 0.0001792100000000 ] - [ -0.0012185900000000, -0.0012848700000000, -0.0037704200000000 ] - [ -0.0010384400000000, -0.0009769700000000, 0.0020183800000000 ] - [ 0.0044660300000000, 0.0059235100000000, 0.0047506600000000 ] - [ 0.0050052700000000, 0.0001282400000000, 0.0041827700000000 ] - [ -0.0001927600000000, 0.0004555600000000, -0.0017938600000000 ] - [ -0.0025523400000000, 0.0011456300000000, -0.0021347200000000 ] - [ 0.0011722600000000, -0.0010075000000000, -0.0034079200000000 ] - [ -0.0075033300000000, 0.0003454300000000, -0.0039861300000000 ] - [ 0.0014462100000000, 0.0009305300000000, -0.0036086300000000 ] - [ 0.0004591600000000, -0.0000390800000000, -0.0031427300000000 ] - [ 0.0000395500000000, 0.0050585000000000, -0.0052168800000000 ] - [ -0.0003265200000000, -0.0006756100000000, -0.0029473800000000 ]- atom: 34 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0001815300000000, 0.0000590400000000, -0.0009898000000000 ] - [ -0.0052737700000000, -0.0072847700000000, -0.0034450500000000 ] - [ -0.0121464600000000, -0.0081668500000000, 0.0049258600000000 ] - [ -0.0005340800000000, 0.0001301800000000, -0.0007325700000000 ] - [ -0.0005026300000000, 0.0003277700000000, -0.0024899000000000 ] - [ -0.0002389800000000, -0.0000761600000000, -0.0009749700000000 ] - [ -0.0004548800000000, -0.0004756000000000, 0.0013401100000000 ] - [ 0.0006541200000000, -0.0001412300000000, 0.0003799900000000 ] - [ -0.0010240100000000, 0.0001853600000000, -0.0022296600000000 ] - [ -0.0007718300000000, -0.0001199900000000, -0.0003158400000000 ] - [ 0.0006570400000000, 0.0001968000000000, -0.0011092500000000 ] - [ 0.0006782400000000, -0.0004048500000000, 0.0014205600000000 ] - [ 0.0004277000000000, 0.0004747100000000, -0.0024422800000000 ] - [ 0.0012112000000000, 0.0003638200000000, -0.0027745000000000 ] - [ 0.0101150600000000, -0.0079734600000000, 0.0045233800000000 ] - [ 0.0064627900000000, -0.0079456700000000, -0.0015719300000000 ] - [ 0.0011037300000000, -0.0002648200000000, -0.0015767900000000 ] - [ 0.0005512500000000, -0.0000212900000000, -0.0009550200000000 ] - [ 0.0001799300000000, 0.0007388000000000, -0.0201242000000000 ] - [ 0.0004676800000000, 0.0001024500000000, 0.0008945800000000 ] - [ -0.0022348000000000, 0.0002164200000000, 0.0006850600000000 ] - [ -0.0064651100000000, -0.0012657800000000, 0.0051016800000000 ] - [ -0.0002577200000000, 0.0000474300000000, -0.0016942300000000 ] - [ 0.0004734100000000, -0.0005163700000000, -0.0024176700000000 ] - [ 0.0032205600000000, 0.0007456700000000, 0.0009507400000000 ] - [ 0.0026475400000000, -0.0013911000000000, -0.0082161300000000 ] - [ -0.0025533800000000, -0.0011452500000000, -0.0069832200000000 ] - [ 0.0018355400000000, -0.0007666100000000, -0.0030775900000000 ] - [ -0.0144327800000000, 0.0170170200000000, -0.0139017500000000 ] - [ 0.0141421400000000, 0.0149192100000000, -0.0120294100000000 ] - [ -0.0032657700000000, 0.0006328000000000, 0.0001706300000000 ] - [ -0.0015188900000000, -0.0006398800000000, -0.0020874100000000 ] - [ -0.0000746600000000, -0.0012211900000000, 0.0037677200000000 ] - [ 0.0042324600000000, 0.0481854000000000, 0.6889073100000001 ] - [ -0.0012624200000000, 0.0064361100000000, 0.0006028300000000 ] - [ 0.0000844800000000, 0.0004169300000000, -0.0027288900000000 ] - [ 0.0003599300000000, -0.0005033000000000, -0.0024397800000000 ] - [ 0.0005014500000000, 0.0000772600000000, 0.0017148100000000 ] - [ -0.0016582500000000, 0.0005071100000000, -0.0047240300000000 ] - [ -0.0031535700000000, 0.0000289200000000, 0.0097817100000000 ] - [ 0.0013043800000000, -0.0012086100000000, -0.0157790300000000 ] - [ 0.0031190300000000, 0.0005750600000000, -0.0040536500000000 ] - [ 0.0028855600000000, 0.0006903600000000, 0.0087615300000000 ] - [ 0.0012129000000000, -0.0002007700000000, -0.0054166000000000 ] - [ -0.0105988400000000, 0.0018934000000000, 0.0017527600000000 ] - [ 0.0004210400000000, -0.0007876500000000, -0.0071992100000000 ] - [ 0.0113532200000000, 0.0018509100000000, 0.0001983500000000 ] - [ -0.0035475300000000, 0.0000917700000000, -0.0041098000000000 ] - [ 0.0002033600000000, 0.0018148500000000, -0.0021279700000000 ] - [ -0.0006144300000000, 0.0033059500000000, 0.0053436500000000 ] - [ 0.0036675200000000, -0.0005383600000000, 0.0001368300000000 ] - [ -0.0000210200000000, 0.0000765000000000, -0.0003128900000000 ] - [ 0.0008283700000000, 0.0000222300000000, -0.0003783100000000 ] - [ -0.0000525300000000, 0.0001540600000000, -0.0002839200000000 ] - [ -0.0003500700000000, -0.0037410100000000, -0.0043877100000000 ] - [ -0.0003002500000000, 0.0015051100000000, -0.0022867200000000 ] - [ -0.0000652700000000, 0.0001889700000000, -0.0009094300000000 ] - [ 0.0010879400000000, 0.0030262900000000, 0.0030694000000000 ] - [ -0.0001230700000000, -0.0009783300000000, 0.0011628000000000 ] - [ 0.0008854500000000, -0.0054163200000000, 0.0194475700000000 ] - [ -0.0000000900000000, 0.0000112500000000, -0.0002809800000000 ] - [ -0.0000587000000000, -0.0007132700000000, -0.0011710800000000 ] - [ -0.0001056100000000, 0.0028855600000000, 0.0029038900000000 ] - [ -0.0008822400000000, -0.0003415800000000, -0.0008674400000000 ] - [ -0.0907398600000000, 0.0390098700000000, -0.1162388400000000 ] - [ -0.0014574200000000, 0.0003650900000000, 0.0026552700000000 ] - [ -0.0009632600000000, 0.0010272900000000, 0.0022899800000000 ] - [ 0.0013501800000000, 0.0001597700000000, 0.0012469900000000 ] - [ -0.0015107700000000, -0.0006244400000000, 0.0051100900000000 ] - [ -0.0026943100000000, -0.0011244000000000, 0.0016964600000000 ] - [ 0.0000770600000000, 0.0007604400000000, -0.0007448400000000 ] - [ 0.0014164700000000, -0.0009025000000000, 0.0036628300000000 ] - [ -0.0002186700000000, -0.0009054800000000, -0.0019940900000000 ] - [ -0.0026338100000000, -0.0028075000000000, -0.0011420300000000 ] - [ 0.0001896500000000, -0.0012562900000000, 0.0036207100000000 ] - [ 0.0003496500000000, -0.0001055000000000, 0.0067733800000000 ] - [ 0.0000587000000000, 0.0000567600000000, 0.0010569600000000 ] - [ 0.0011102600000000, 0.0000477200000000, 0.0021383000000000 ] - [ 0.0009432000000000, -0.0002450900000000, 0.0003351400000000 ] - [ -0.0009240300000000, 0.0007187600000000, -0.0018152700000000 ] - [ 0.0011066200000000, 0.0008358300000000, -0.0048361500000000 ] - [ -0.0035792800000000, 0.0007479300000000, 0.0006770500000000 ] - [ 0.0000286200000000, -0.0000182900000000, -0.0001006600000000 ] - [ -0.0002608400000000, -0.0187041200000000, -0.0754834800000000 ] - [ 0.0005760900000000, 0.0006223600000000, -0.0005974800000000 ] - [ 0.0046804500000000, -0.0990640500000000, -0.3649787000000000 ] - [ -0.0001310200000000, -0.0007902900000000, 0.0020432300000000 ] - [ 0.0004474700000000, -0.0009433700000000, 0.0012935400000000 ] - [ -0.0017494300000000, 0.0004486900000000, 0.0017683900000000 ] - [ -0.0001981300000000, -0.0009406600000000, 0.0049461700000000 ] - [ -0.0019674600000000, -0.0000887700000000, 0.0007530400000000 ] - [ 0.0001250100000000, 0.0006759700000000, 0.0037602600000000 ] - [ 0.0000331100000000, -0.0000368100000000, -0.0030229900000000 ] - [ -0.0069252500000000, -0.0000589600000000, 0.0036142100000000 ] - [ 0.0002467200000000, 0.0000313100000000, -0.0003431700000000 ] - [ 0.0021758600000000, 0.0001998000000000, 0.0014851400000000 ] - [ -0.0054004300000000, -0.0013068500000000, 0.0015194000000000 ] - [ 0.0020967900000000, 0.0010741900000000, -0.0026021700000000 ] - [ 0.0011084300000000, 0.0004046400000000, -0.0016384400000000 ] - [ 0.0005108300000000, 0.0002721300000000, 0.0008938600000000 ] - [ -0.0009077100000000, -0.0003120600000000, -0.0069105900000000 ] - [ -0.0005607100000000, -0.0002666100000000, 0.0037224000000000 ] - [ 0.0018481900000000, -0.0003922400000000, -0.0003363900000000 ] - [ 0.0002052500000000, 0.0023987600000000, 0.0045420200000000 ] - [ -0.0013001900000000, -0.0001681900000000, 0.0008752500000000 ] - [ -0.0014225900000000, -0.0005877100000000, -0.0047996100000000 ] - [ 0.0003639100000000, -0.0002427800000000, 0.0017632600000000 ] - [ 0.0037689600000000, -0.0023923100000000, -0.0044702200000000 ] - [ 0.0000156900000000, 0.0010903800000000, 0.0080376800000000 ] - [ 0.0001558000000000, -0.0012867200000000, 0.0020745000000000 ] - [ 0.0046666000000000, -0.0011349900000000, 0.0018179400000000 ] - [ 0.0032502500000000, 0.0010196300000000, 0.0006498400000000 ] - [ 0.0044015400000000, -0.0068161100000000, -0.0054204600000000 ] - [ -0.0002192800000000, -0.0004627300000000, -0.0017771700000000 ] - [ -0.0001929600000000, -0.0082154900000000, 0.0021871700000000 ] - [ 0.0001933300000000, 0.0021340800000000, 0.0040550500000000 ] - [ -0.0014849100000000, 0.0006561500000000, 0.0009008200000000 ] - [ 0.0013512100000000, 0.0004032200000000, 0.0005740000000000 ] - [ 0.0000595800000000, 0.0008831500000000, 0.0017152200000000 ] - [ -0.0005477100000000, 0.0008230600000000, 0.0015584000000000 ] - [ 0.0852354500000000, 0.0385304900000000, -0.1103180600000000 ] - [ -0.0001103600000000, 0.0130208000000000, -0.0128237700000000 ] - [ -0.0000884500000000, 0.0002017100000000, 0.0009559300000000 ] - [ -0.0005238700000000, 0.0003905400000000, -0.0006387900000000 ] - [ 0.0003550700000000, 0.0008003000000000, 0.0036586400000000 ] - [ 0.0010112700000000, 0.0001575100000000, -0.0014135500000000 ] - [ -0.0050466500000000, -0.0058877400000000, -0.0042856500000000 ] - [ -0.0046177700000000, 0.0005411500000000, -0.0045537900000000 ] - [ -0.0001963400000000, 0.0002105300000000, 0.0014409300000000 ] - [ 0.0033947400000000, -0.0016228200000000, 0.0022451800000000 ] - [ -0.0006018700000000, 0.0010663100000000, 0.0038540700000000 ] - [ 0.0075443700000000, -0.0011634000000000, 0.0033789500000000 ] - [ -0.0014577100000000, -0.0006767600000000, 0.0030665100000000 ] - [ -0.0000636200000000, 0.0007048400000000, 0.0034944200000000 ] - [ 0.0009218100000000, -0.0066002400000000, 0.0044382400000000 ] - [ 0.0007095900000000, 0.0000097700000000, 0.0025924000000000 ]- atom: 49 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0001342500000000, -0.0010706800000000, 0.0009775000000000 ] - [ 0.0001181000000000, 0.0000242700000000, -0.0000775900000000 ] - [ -0.0000630300000000, 0.0000258400000000, -0.0000813100000000 ] - [ 0.0000106500000000, 0.0004026100000000, -0.0008086900000000 ] - [ 0.0002972100000000, -0.0000710200000000, -0.0000298600000000 ] - [ 0.0002843900000000, -0.0000984100000000, 0.0001563600000000 ] - [ -0.0000544500000000, -0.0001277900000000, -0.0000907100000000 ] - [ -0.0001781900000000, -0.0001438400000000, 0.0001082000000000 ] - [ -0.0002526500000000, -0.0007746900000000, 0.0015962300000000 ] - [ 0.0001186800000000, -0.0000300800000000, -0.0003301600000000 ] - [ 0.0002218900000000, 0.0000486900000000, -0.0005687500000000 ] - [ 0.0000628400000000, -0.0000098600000000, 0.0000158400000000 ] - [ -0.0001300300000000, 0.0009832100000000, -0.0004422600000000 ] - [ 0.0002160400000000, -0.0000649000000000, 0.0001774700000000 ] - [ 0.0000553500000000, 0.0001399700000000, 0.0000085500000000 ] - [ -0.0000455200000000, 0.0000642500000000, 0.0002706300000000 ] - [ -0.0010344600000000, -0.0001051100000000, 0.0002333800000000 ] - [ 0.0007119900000000, 0.0002024400000000, -0.0001865800000000 ] - [ 0.0004844600000000, -0.0000795200000000, 0.0001030100000000 ] - [ 0.0004800400000000, 0.0000420400000000, -0.0001160500000000 ] - [ -0.0006841300000000, 0.0000302800000000, -0.0000353900000000 ] - [ -0.0004564600000000, -0.0000587700000000, -0.0000674300000000 ] - [ -0.0001186000000000, 0.0000629400000000, -0.0000405100000000 ] - [ 0.0006683900000000, 0.0002217700000000, -0.0004022700000000 ] - [ -0.0004847200000000, 0.0009142800000000, -0.0004041200000000 ] - [ 0.0004632500000000, 0.0003105600000000, 0.0003809300000000 ] - [ -0.0010481100000000, 0.0012716200000000, 0.0011538800000000 ] - [ 0.0005616700000000, -0.0002641500000000, -0.0012172300000000 ] - [ 0.0002176000000000, -0.0001239200000000, -0.0002309100000000 ] - [ -0.0001040700000000, -0.0004925900000000, 0.0007702800000000 ] - [ 0.0001226100000000, 0.0001553900000000, -0.0006825500000000 ] - [ -0.0005481200000000, -0.0007257600000000, -0.0007166500000000 ] - [ -0.0000115300000000, -0.0005825100000000, -0.0000762200000000 ] - [ 0.0004133700000000, -0.0001058400000000, 0.0001524300000000 ] - [ 0.0000574900000000, 0.0006603000000000, 0.0002011000000000 ] - [ 0.0025561600000000, 0.0003006300000000, -0.0006515300000000 ] - [ 0.0005044400000000, 0.0007013000000000, 0.0007269700000000 ] - [ 0.0005551200000000, 0.0000900900000000, -0.0006549300000000 ] - [ 0.0004266600000000, 0.0028381000000000, 0.0012491200000000 ] - [ 0.0001425500000000, 0.0006252000000000, -0.0000124800000000 ] - [ 0.0003126100000000, -0.0011921200000000, -0.0009825100000000 ] - [ 0.0028020800000000, -0.0000416600000000, -0.0022667100000000 ] - [ -0.0002205500000000, 0.0000428000000000, 0.0000078500000000 ] - [ 0.0007737500000000, -0.0006397400000000, 0.0001056900000000 ] - [ -0.0002934000000000, -0.0005115100000000, -0.0003516700000000 ] - [ 0.0029520300000000, 0.0007356800000000, 0.0009779800000000 ] - [ -0.0000294400000000, -0.0000859200000000, -0.0002949300000000 ] - [ 0.0001953300000000, 0.0000576100000000, -0.0002348800000000 ] - [ -0.0422752200000000, 0.0004065100000000, -0.0007178400000000 ] - [ 0.0000883500000000, -0.0002351300000000, -0.0000795400000000 ] - [ -0.0000095800000000, -0.0000991500000000, 0.0002109200000000 ] - [ -0.0011087800000000, -0.0000575300000000, 0.0002125100000000 ] - [ 0.0001056200000000, 0.0000864400000000, -0.0002391100000000 ] - [ -0.0001565500000000, -0.0000015000000000, -0.0001276800000000 ] - [ 0.0002794300000000, -0.0006511000000000, -0.0002085100000000 ] - [ 0.0001808100000000, -0.0001609100000000, -0.0000110200000000 ] - [ -0.0001319900000000, -0.0001785200000000, 0.0003111800000000 ] - [ 0.0001247100000000, 0.0001239200000000, -0.0000591000000000 ] - [ -0.0000874500000000, -0.0000150300000000, -0.0001742700000000 ] - [ -0.0001014600000000, 0.0001340800000000, 0.0000497400000000 ] - [ -0.0000477700000000, -0.0000481200000000, -0.0002953500000000 ] - [ 0.0002883000000000, 0.0005328600000000, 0.0006190800000000 ] - [ -0.0000440000000000, 0.0001040600000000, 0.0002287600000000 ] - [ 0.0001308900000000, -0.0000831500000000, -0.0002391600000000 ] - [ -0.0004815100000000, 0.0002582600000000, 0.0000193000000000 ] - [ -0.0000529600000000, -0.0001493400000000, 0.0001378900000000 ] - [ -0.0008143600000000, 0.0007494600000000, 0.0003752800000000 ] - [ 0.0007033900000000, -0.0000529900000000, -0.0001590200000000 ] - [ 0.0001801200000000, -0.0001069400000000, 0.0000100300000000 ] - [ 0.0016182500000000, 0.0014410100000000, -0.0038340000000000 ] - [ 0.0000472000000000, 0.0004318600000000, 0.0003342300000000 ] - [ 0.0022467700000000, -0.0039898400000000, 0.0009546500000000 ] - [ 0.0003846800000000, -0.0001609300000000, 0.0003653800000000 ] - [ -0.0001958900000000, -0.0004756100000000, 0.0001616000000000 ] - [ -0.0002968200000000, -0.0004703100000000, -0.0004089400000000 ] - [ -0.0002755400000000, 0.0003393000000000, 0.0005627800000000 ] - [ -0.0001368000000000, -0.0009188200000000, -0.0004662200000000 ] - [ -0.0002669500000000, 0.0005032300000000, 0.0001273900000000 ] - [ -0.0005442900000000, -0.0000088800000000, -0.0002477100000000 ] - [ 0.0001021200000000, 0.0000520900000000, -0.0002371600000000 ] - [ 0.0002049900000000, -0.0003508000000000, 0.0003264000000000 ] - [ -0.0005184400000000, 0.0000225700000000, -0.0001185100000000 ] - [ 0.0003331100000000, -0.0001241600000000, 0.0002502200000000 ] - [ 0.0000784200000000, -0.0004689800000000, -0.0001032700000000 ] - [ 0.0005076600000000, 0.0007530400000000, 0.0003798600000000 ] - [ -0.0001919900000000, 0.0003470500000000, 0.0002219700000000 ] - [ -0.0004397100000000, -0.0002582100000000, 0.0002492500000000 ] - [ -0.0001678900000000, -0.0008786900000000, 0.0008006000000000 ] - [ -0.0003674100000000, -0.0000375200000000, 0.0002293000000000 ] - [ -0.0009096000000000, -0.0007124600000000, 0.0002505200000000 ] - [ 0.0003238200000000, -0.0003746700000000, 0.0000777100000000 ] - [ 0.0000971700000000, -0.0002158000000000, -0.0003977900000000 ] - [ 0.0000688800000000, -0.0005516000000000, -0.0002165200000000 ] - [ 0.0002289200000000, 0.0002055400000000, -0.0000284400000000 ] - [ -0.0004563500000000, -0.0002620500000000, 0.0004108500000000 ] - [ 0.0001204000000000, 0.0003621300000000, -0.0005419900000000 ] - [ 0.0000783400000000, -0.0000221100000000, -0.0001582500000000 ] - [ -0.0005516100000000, -0.0007509700000000, 0.0004100700000000 ] - [ -0.0000585000000000, 0.0003930400000000, 0.0003041300000000 ] - [ -0.0008737100000000, 0.0008019900000000, 0.0006414800000000 ] - [ -0.0001349100000000, 0.0004889700000000, -0.0003192900000000 ] - [ 0.0151351700000000, 0.0023506200000000, 0.0005113200000000 ] - [ -0.0003578100000000, 0.0007098700000000, -0.0001605500000000 ] - [ 0.0003054800000000, 0.0008853400000000, -0.0000276000000000 ] - [ 0.0029100500000000, -0.0017806500000000, 0.0051445900000000 ] - [ -0.0000794900000000, 0.0005382000000000, -0.0000212000000000 ] - [ 0.0017416200000000, 0.0027444200000000, -0.0007000400000000 ] - [ -0.0000194400000000, -0.0004647800000000, 0.0005601900000000 ] - [ -0.0001808900000000, -0.0001073200000000, 0.0008411900000000 ] - [ 0.0159766900000000, -0.0021882700000000, 0.0000882800000000 ] - [ -0.0001914800000000, 0.0000329600000000, 0.0002427800000000 ] - [ 0.0001679400000000, 0.0001767100000000, 0.0004032400000000 ] - [ -0.0001063100000000, -0.0000903400000000, -0.0002199500000000 ] - [ -0.0002121500000000, -0.0002958900000000, 0.0000414000000000 ] - [ 0.0001351700000000, 0.0000055400000000, -0.0001757800000000 ] - [ -0.0007638700000000, 0.0006518700000000, -0.0004549800000000 ] - [ -0.0000610900000000, -0.0001988900000000, -0.0003629600000000 ] - [ 0.0000203500000000, -0.0002783700000000, -0.0005523900000000 ] - [ -0.0008062500000000, 0.0005552800000000, -0.0005976700000000 ] - [ -0.0008770100000000, 0.0007537900000000, 0.0006165800000000 ] - [ 0.0002830700000000, -0.0000133100000000, 0.0003199200000000 ] - [ 0.0000716100000000, 0.0004685800000000, 0.0002743000000000 ] - [ -0.0000700700000000, 0.0001509700000000, 0.0004498000000000 ] - [ 0.0001743300000000, 0.0000444900000000, -0.0000559800000000 ] - [ -0.0012916200000000, -0.0005714800000000, -0.0005086900000000 ] - [ -0.0000492400000000, -0.0004413900000000, 0.0002985000000000 ] - [ -0.0003092200000000, 0.0000164700000000, 0.0001367400000000 ] - [ 0.0001046500000000, 0.0003302300000000, -0.0001471000000000 ] - [ -0.0003600800000000, 0.0001683100000000, -0.0005848400000000 ] - [ 0.0001244900000000, -0.0001908800000000, 0.0000636900000000 ] - [ -0.0004476200000000, -0.0011586600000000, -0.0008941800000000 ] - [ 0.0002308100000000, -0.0004890000000000, -0.0002009800000000 ] - [ -0.0004228700000000, -0.0000174000000000, -0.0002660100000000 ] - [ 0.0011171700000000, -0.0004411900000000, -0.0004707000000000 ] - [ 0.0005013600000000, -0.0007448800000000, -0.0005567500000000 ] - [ -0.0001128300000000, -0.0003280300000000, -0.0001971200000000 ]- atom: 49 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0001456100000000, 0.0013534900000000, -0.0009825700000000 ] - [ -0.0001190500000000, -0.0000243300000000, 0.0000766900000000 ] - [ 0.0000608500000000, -0.0000261200000000, -0.0000435600000000 ] - [ -0.0000036700000000, -0.0004076600000000, 0.0008175900000000 ] - [ -0.0002962400000000, -0.0001929800000000, 0.0000283400000000 ] - [ -0.0002842300000000, 0.0001004000000000, -0.0000315600000000 ] - [ 0.0000556400000000, -0.0001372500000000, 0.0000916200000000 ] - [ 0.0001834100000000, 0.0001454000000000, -0.0001067200000000 ] - [ 0.0002456400000000, 0.0007707900000000, -0.0007317400000000 ] - [ -0.0001184400000000, 0.0000300300000000, -0.0005227500000000 ] - [ -0.0002227500000000, -0.0000492000000000, -0.0002805900000000 ] - [ -0.0000613900000000, 0.0000102600000000, 0.0001111900000000 ] - [ 0.0001159700000000, -0.0009712400000000, 0.0003090500000000 ] - [ -0.0002150900000000, 0.0000644100000000, -0.0001748200000000 ] - [ -0.0000560000000000, 0.0001252400000000, -0.0000076500000000 ] - [ 0.0000412400000000, -0.0000624300000000, 0.0005835500000000 ] - [ -0.0000066800000000, -0.0000070500000000, -0.0001215700000000 ] - [ 0.0003314000000000, -0.0003257800000000, 0.0000829000000000 ] - [ 0.0005551900000000, -0.0000382400000000, 0.0000039900000000 ] - [ 0.0005630300000000, 0.0000761800000000, 0.0000120700000000 ] - [ -0.0003575500000000, 0.0000881900000000, 0.0001401300000000 ] - [ -0.0005848700000000, -0.0000598100000000, -0.0000369100000000 ] - [ -0.0009225000000000, 0.0000547400000000, -0.0000648200000000 ] - [ 0.0003694100000000, -0.0001015700000000, 0.0004996000000000 ] - [ 0.0004919300000000, -0.0009210700000000, 0.0004118200000000 ] - [ -0.0004627600000000, -0.0003081500000000, -0.0003751600000000 ] - [ 0.0010338800000000, -0.0012595800000000, 0.0005633200000000 ] - [ -0.0005603500000000, 0.0002662300000000, -0.0004890800000000 ] - [ -0.0002218200000000, 0.0001238700000000, 0.0002277900000000 ] - [ 0.0000966400000000, 0.0004822400000000, 0.0009517900000000 ] - [ -0.0001184700000000, -0.0001549300000000, -0.0010321200000000 ] - [ 0.0005602100000000, 0.0007387800000000, 0.0007185000000000 ] - [ 0.0000910400000000, -0.0006919800000000, 0.0001599400000000 ] - [ 0.0003474700000000, -0.0000449300000000, 0.0003605100000000 ] - [ 0.0000146000000000, 0.0006139800000000, -0.0002772300000000 ] - [ -0.0025025600000000, 0.0009825000000000, 0.0007449500000000 ] - [ 0.0002707000000000, -0.0008605700000000, -0.0012487800000000 ] - [ 0.0002141400000000, 0.0000598500000000, 0.0001484600000000 ] - [ -0.0012009300000000, -0.0030080000000000, -0.0007318500000000 ] - [ -0.0002163700000000, 0.0006491800000000, 0.0000943600000000 ] - [ -0.0002490400000000, -0.0000869600000000, 0.0008862100000000 ] - [ -0.0028622900000000, 0.0013704900000000, 0.0021702100000000 ] - [ -0.0005441800000000, 0.0001063500000000, 0.0005093500000000 ] - [ -0.0008474100000000, -0.0006354900000000, -0.0000252100000000 ] - [ 0.0002173300000000, -0.0007581100000000, 0.0002693000000000 ] - [ -0.0021611200000000, -0.0005719000000000, -0.0004573200000000 ] - [ -0.0007357700000000, -0.0000644700000000, -0.0002127000000000 ] - [ -0.0009613000000000, 0.0000930600000000, -0.0002811100000000 ] - [ 0.0425719900000000, 0.0005263900000000, 0.0004575600000000 ] - [ 0.0001114000000000, -0.0000345000000000, 0.0001632500000000 ] - [ 0.0000943800000000, -0.0000712400000000, 0.0002698900000000 ] - [ 0.0011940100000000, 0.0002199800000000, 0.0002512100000000 ] - [ -0.0000206100000000, 0.0000844600000000, -0.0002401000000000 ] - [ 0.0000744000000000, 0.0001733100000000, -0.0003535100000000 ] - [ -0.0004756200000000, 0.0003695600000000, 0.0002829700000000 ] - [ 0.0000190500000000, -0.0001098800000000, -0.0000723100000000 ] - [ 0.0000455200000000, 0.0000062300000000, 0.0001691600000000 ] - [ 0.0000752400000000, 0.0001485200000000, -0.0000216000000000 ] - [ -0.0001122600000000, -0.0002579200000000, 0.0000939600000000 ] - [ -0.0000988100000000, 0.0001362400000000, 0.0000338800000000 ] - [ -0.0000362800000000, -0.0001235400000000, -0.0001840000000000 ] - [ -0.0004923100000000, -0.0002684100000000, -0.0007111800000000 ] - [ -0.0000418600000000, 0.0000673000000000, 0.0002517000000000 ] - [ -0.0000459200000000, -0.0000880900000000, -0.0002412300000000 ] - [ -0.0003728400000000, 0.0002226400000000, -0.0001216300000000 ] - [ 0.0000625900000000, -0.0001040500000000, 0.0003980400000000 ] - [ -0.0001467700000000, 0.0007488700000000, 0.0004162100000000 ] - [ -0.0006849200000000, -0.0000136800000000, -0.0003124400000000 ] - [ -0.0001985500000000, -0.0007059600000000, -0.0006085700000000 ] - [ -0.0015302600000000, -0.0006252300000000, 0.0031907700000000 ] - [ 0.0001246700000000, 0.0005339000000000, -0.0000446500000000 ] - [ -0.0027754700000000, 0.0039202000000000, -0.0005050000000000 ] - [ 0.0004709500000000, -0.0003192300000000, -0.0004712200000000 ] - [ 0.0000223800000000, -0.0004901000000000, 0.0001290400000000 ] - [ 0.0001483500000000, -0.0004941700000000, -0.0003084500000000 ] - [ 0.0002857600000000, -0.0000847700000000, -0.0000200700000000 ] - [ 0.0003086100000000, -0.0000403100000000, 0.0007664200000000 ] - [ 0.0000936100000000, 0.0004614200000000, 0.0001666200000000 ] - [ -0.0000191400000000, 0.0000715300000000, -0.0002044200000000 ] - [ -0.0000975500000000, 0.0002032100000000, -0.0003035200000000 ] - [ 0.0001834200000000, -0.0003149600000000, 0.0000257600000000 ] - [ -0.0000432800000000, -0.0000865500000000, -0.0003384600000000 ] - [ -0.0003572800000000, 0.0000578600000000, 0.0002223000000000 ] - [ 0.0000962700000000, -0.0004962500000000, -0.0001897200000000 ] - [ 0.0004506900000000, 0.0007456600000000, 0.0004117200000000 ] - [ -0.0001947100000000, 0.0003195500000000, 0.0001324600000000 ] - [ 0.0004675200000000, -0.0005597000000000, 0.0003515400000000 ] - [ 0.0011336000000000, -0.0006191900000000, -0.0000135500000000 ] - [ 0.0003837300000000, -0.0000305700000000, 0.0002417300000000 ] - [ 0.0005150600000000, 0.0000400600000000, 0.0001082100000000 ] - [ -0.0012832900000000, -0.0011357500000000, -0.0009109900000000 ] - [ -0.0001115000000000, 0.0002807800000000, -0.0000775700000000 ] - [ 0.0000778100000000, -0.0004117900000000, -0.0005042300000000 ] - [ 0.0006265200000000, 0.0002745300000000, 0.0001291800000000 ] - [ -0.0004029400000000, -0.0002189700000000, -0.0003110800000000 ] - [ -0.0001468300000000, 0.0004555900000000, -0.0000633500000000 ] - [ -0.0000612200000000, 0.0000891200000000, -0.0003177000000000 ] - [ -0.0004091600000000, -0.0007476100000000, 0.0003824600000000 ] - [ 0.0000861600000000, 0.0004251900000000, 0.0002981200000000 ] - [ 0.0008816800000000, -0.0010703900000000, -0.0011917400000000 ] - [ -0.0000131200000000, 0.0004744900000000, -0.0004007100000000 ] - [ -0.0153958400000000, -0.0023739400000000, 0.0010375700000000 ] - [ -0.0006013200000000, 0.0007888100000000, -0.0006264500000000 ] - [ 0.0006582500000000, 0.0006137100000000, -0.0007592700000000 ] - [ -0.0029664200000000, 0.0015182800000000, -0.0046228800000000 ] - [ -0.0000933800000000, 0.0004266200000000, -0.0002746900000000 ] - [ -0.0009284800000000, -0.0022904700000000, 0.0005954700000000 ] - [ -0.0001279100000000, -0.0005011000000000, 0.0001579000000000 ] - [ 0.0003296900000000, -0.0008509500000000, -0.0001119400000000 ] - [ -0.0161299700000000, 0.0015827300000000, -0.0007545000000000 ] - [ 0.0002079800000000, 0.0000344700000000, 0.0002317900000000 ] - [ -0.0001771200000000, 0.0000761400000000, 0.0001368300000000 ] - [ 0.0000994900000000, -0.0001641100000000, -0.0003188700000000 ] - [ -0.0001773500000000, -0.0003706600000000, -0.0003989500000000 ] - [ -0.0001444100000000, -0.0000716700000000, -0.0002989400000000 ] - [ 0.0009263200000000, 0.0003156600000000, 0.0001611500000000 ] - [ -0.0008059100000000, 0.0006838300000000, 0.0004692400000000 ] - [ 0.0005385100000000, 0.0002159500000000, 0.0000998100000000 ] - [ 0.0009636300000000, 0.0004079700000000, -0.0001190600000000 ] - [ 0.0008515200000000, 0.0000621500000000, -0.0000174900000000 ] - [ 0.0002825900000000, -0.0000488000000000, 0.0001329300000000 ] - [ 0.0000769900000000, 0.0004960800000000, 0.0004410800000000 ] - [ 0.0000489400000000, -0.0000850100000000, 0.0000217800000000 ] - [ 0.0003847600000000, 0.0000200800000000, -0.0004021600000000 ] - [ 0.0004297800000000, 0.0000870000000000, 0.0004009300000000 ] - [ 0.0000178300000000, -0.0003777100000000, 0.0003043100000000 ] - [ -0.0002519800000000, 0.0000476400000000, 0.0003137700000000 ] - [ 0.0002831000000000, 0.0003363800000000, -0.0002105300000000 ] - [ -0.0000308100000000, 0.0004997100000000, 0.0002340900000000 ] - [ 0.0007329900000000, -0.0002904900000000, 0.0000425300000000 ] - [ 0.0010091900000000, 0.0012084000000000, 0.0013369400000000 ] - [ -0.0001991400000000, -0.0003313200000000, -0.0004016500000000 ] - [ 0.0004141600000000, 0.0002714900000000, -0.0002739500000000 ] - [ -0.0007319300000000, 0.0010855700000000, 0.0008284700000000 ] - [ 0.0004602500000000, -0.0007541400000000, -0.0002383100000000 ] - [ 0.0005005900000000, -0.0003379600000000, -0.0001554400000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0027182800000000, 0.0049018200000000, 0.0019300600000000 ] - [ 0.0002507600000000, -0.0000431100000000, -0.0001217000000000 ] - [ -0.0000497700000000, 0.0002391600000000, -0.0009693800000000 ] - [ 0.0031003900000000, -0.0011972000000000, -0.0027241700000000 ] - [ 0.0000928800000000, 0.0000256200000000, 0.0004064800000000 ] - [ -0.0000205000000000, 0.0001130700000000, 0.0004796100000000 ] - [ 0.0000490500000000, 0.0000936000000000, -0.0008952400000000 ] - [ -0.0009752800000000, -0.0006839000000000, -0.0009240500000000 ] - [ -0.0036379700000000, -0.0014292800000000, -0.0019334700000000 ] - [ -0.0001891200000000, -0.0000528900000000, -0.0004679400000000 ] - [ 0.0003131300000000, -0.0000328700000000, -0.0005273300000000 ] - [ 0.0000548100000000, -0.0000145000000000, -0.0003085900000000 ] - [ 0.0016748400000000, 0.0047003900000000, 0.0021119300000000 ] - [ -0.0002405500000000, -0.0000619100000000, 0.0000047400000000 ] - [ -0.0000013300000000, 0.0001172800000000, -0.0003677700000000 ] - [ 0.0008020500000000, -0.0005784200000000, -0.0007026000000000 ] - [ -0.0006903500000000, -0.0006973100000000, 0.0033879400000000 ] - [ 0.0023481600000000, 0.0001092100000000, 0.0005965900000000 ] - [ 0.0000517300000000, -0.0000509400000000, -0.0005311500000000 ] - [ 0.0001998300000000, -0.0000020500000000, -0.0007161100000000 ] - [ -0.0005312500000000, -0.0005325700000000, -0.0011196100000000 ] - [ -0.0005005900000000, -0.0000546900000000, -0.0003145000000000 ] - [ -0.0004518900000000, 0.0000319800000000, 0.0002343600000000 ] - [ 0.0023452800000000, -0.0001558600000000, 0.0003602000000000 ] - [ -0.0025976400000000, 0.0036849800000000, -0.0038858000000000 ] - [ -0.0008111300000000, 0.0003515200000000, 0.0001522700000000 ] - [ -0.0025476100000000, 0.0039576700000000, -0.0014917800000000 ] - [ 0.0009773600000000, 0.0002462200000000, -0.0007665900000000 ] - [ 0.0010064300000000, 0.0002604300000000, -0.0002135200000000 ] - [ 0.0021532600000000, 0.0037853100000000, -0.0031864000000000 ] - [ -0.0008798100000000, 0.0003166400000000, -0.0010489900000000 ] - [ 0.0021727300000000, 0.0039392600000000, -0.0025533200000000 ] - [ -0.0006252100000000, -0.0005945200000000, -0.0017006300000000 ] - [ 0.0010882900000000, 0.0000273400000000, -0.0014205300000000 ] - [ -0.0009268700000000, 0.0002844500000000, -0.0017034000000000 ] - [ 0.0007341800000000, -0.0015161200000000, 0.0035744300000000 ] - [ -0.0006763300000000, -0.0006164800000000, 0.0026258600000000 ] - [ 0.0013985800000000, -0.0000985500000000, -0.0018927100000000 ] - [ 0.0002851500000000, 0.0553265000000000, 0.0059983900000000 ] - [ 0.0000214900000000, 0.0004408500000000, -0.0008983800000000 ] - [ 0.0014840500000000, -0.0010176300000000, 0.0030590300000000 ] - [ -0.0010244800000000, -0.0095449700000000, -0.0331123300000000 ] - [ -0.0005395600000000, -0.0006222600000000, -0.0033502800000000 ] - [ 0.0001437600000000, -0.0007963000000000, 0.0010289700000000 ] - [ -0.0002785100000000, 0.0015888300000000, -0.0046852200000000 ] - [ 0.0003876300000000, -0.0020830100000000, 0.0036833800000000 ] - [ -0.0003116300000000, -0.0002057800000000, -0.0011022900000000 ] - [ -0.0002196500000000, -0.0001406700000000, 0.0005845800000000 ] - [ -0.0000821000000000, -0.0706804700000000, -0.0044570200000000 ] - [ 0.0002000900000000, -0.0017225200000000, -0.0018735600000000 ] - [ 0.0000202200000000, -0.0002774300000000, -0.0002298500000000 ] - [ -0.0000998100000000, -0.0018736100000000, 0.0026662800000000 ] - [ 0.0000563000000000, 0.0000988700000000, -0.0002764500000000 ] - [ -0.0008867600000000, -0.0000900100000000, -0.0002467000000000 ] - [ -0.0006103800000000, 0.0004230500000000, 0.0012010900000000 ] - [ 0.0001254800000000, -0.0005268700000000, 0.0004522000000000 ] - [ -0.0008571900000000, -0.0001169200000000, 0.0002839300000000 ] - [ 0.0000877200000000, -0.0001990700000000, -0.0004730900000000 ] - [ 0.0000211900000000, 0.0005101900000000, -0.0008866100000000 ] - [ -0.0000989000000000, 0.0007223300000000, -0.0007779000000000 ] - [ 0.0002184300000000, -0.0001384900000000, -0.0004834000000000 ] - [ -0.0004986000000000, 0.0003289100000000, 0.0007970600000000 ] - [ 0.0001217000000000, -0.0000123800000000, -0.0000270600000000 ] - [ 0.0000666600000000, -0.0000650000000000, -0.0002058000000000 ] - [ -0.0006148300000000, 0.0000476500000000, 0.0004154500000000 ] - [ 0.0003496100000000, -0.0001104700000000, 0.0005295300000000 ] - [ -0.0005566200000000, 0.0007537400000000, 0.0001481000000000 ] - [ 0.0001049100000000, -0.0003526900000000, 0.0000296500000000 ] - [ -0.0012267200000000, -0.0017533800000000, -0.0014498700000000 ] - [ -0.0082168200000000, -0.0048622800000000, 0.0120347900000000 ] - [ -0.0003426700000000, 0.0003703700000000, 0.0010049400000000 ] - [ 0.0064209100000000, -0.0105616800000000, 0.0024842400000000 ] - [ 0.0001780600000000, 0.0002104800000000, 0.0023209800000000 ] - [ -0.0000939300000000, -0.0002902300000000, 0.0005213900000000 ] - [ -0.0001206000000000, -0.0002881700000000, -0.0011626700000000 ] - [ -0.0004698300000000, 0.0001556900000000, -0.0001821900000000 ] - [ 0.0007212800000000, -0.0001020900000000, -0.0007691500000000 ] - [ -0.0001397500000000, 0.0007410000000000, -0.0002431800000000 ] - [ -0.0000000200000000, 0.0001549600000000, -0.0005116600000000 ] - [ 0.0007190100000000, -0.0003435300000000, 0.0006117300000000 ] - [ 0.0002387100000000, -0.0005539000000000, 0.0024524300000000 ] - [ -0.0006626500000000, 0.0001171100000000, 0.0001340100000000 ] - [ 0.0017672300000000, -0.0004135800000000, 0.0009059500000000 ] - [ -0.0001287600000000, -0.0006731400000000, 0.0006489000000000 ] - [ 0.0008068600000000, 0.0009674900000000, 0.0009616000000000 ] - [ -0.0001837400000000, 0.0004622900000000, 0.0013177100000000 ] - [ -0.0004052400000000, -0.0002805300000000, -0.0000692800000000 ] - [ -0.0010173200000000, 0.0005573600000000, -0.0003755000000000 ] - [ -0.0000567800000000, -0.0000474600000000, 0.0001908700000000 ] - [ -0.0013409000000000, 0.0000335900000000, -0.0020794300000000 ] - [ -0.0002916300000000, 0.0068954800000000, 0.0063025400000000 ] - [ 0.0015184500000000, -0.0004677900000000, 0.0001240300000000 ] - [ 0.0000450300000000, -0.0007753000000000, 0.0010109500000000 ] - [ 0.0007222500000000, 0.0003622300000000, 0.0003919200000000 ] - [ -0.0013566000000000, -0.0004189600000000, 0.0008698700000000 ] - [ 0.0007977300000000, 0.0001130100000000, 0.0003403800000000 ] - [ 0.0000515600000000, -0.0007894000000000, 0.0009058600000000 ] - [ -0.0004974400000000, -0.0007512400000000, 0.0006443200000000 ] - [ 0.0002645700000000, 0.0005587600000000, 0.0007176000000000 ] - [ -0.0003960400000000, -0.0009250000000000, -0.0023546100000000 ] - [ -0.0000842800000000, 0.0006663400000000, 0.0003939900000000 ] - [ 0.0029768200000000, 0.0700235500000000, -0.0134671300000000 ] - [ -0.0003338100000000, -0.0000642900000000, 0.0031803400000000 ] - [ -0.0004644500000000, 0.0014853500000000, -0.0009526200000000 ] - [ 0.0084243900000000, -0.0057837000000000, 0.0119699500000000 ] - [ -0.0000941400000000, 0.0014146100000000, 0.0017411000000000 ] - [ -0.0065581800000000, -0.0105595200000000, 0.0024469900000000 ] - [ -0.0000873400000000, -0.0002071200000000, 0.0035092700000000 ] - [ 0.0004241000000000, -0.0008690100000000, -0.0019188500000000 ] - [ -0.0014067900000000, -0.0191224600000000, 0.0227194700000000 ] - [ -0.0000502200000000, 0.0000191300000000, 0.0003050100000000 ] - [ -0.0000044100000000, -0.0003210500000000, 0.0020421600000000 ] - [ -0.0003497200000000, 0.0000510200000000, 0.0001461000000000 ] - [ -0.0002661900000000, -0.0001679700000000, 0.0009613200000000 ] - [ -0.0016987900000000, -0.0004520600000000, 0.0005326900000000 ] - [ 0.0012404700000000, 0.0013967100000000, -0.0013612000000000 ] - [ 0.0008718500000000, -0.0007711000000000, -0.0011519900000000 ] - [ 0.0005447400000000, -0.0000455200000000, -0.0007326100000000 ] - [ 0.0008994600000000, 0.0006503100000000, -0.0026827200000000 ] - [ -0.0002319600000000, 0.0005989000000000, -0.0002727700000000 ] - [ -0.0005039100000000, -0.0004683500000000, 0.0012197500000000 ] - [ 0.0001536100000000, 0.0002768300000000, 0.0016962800000000 ] - [ -0.0014867600000000, -0.0004217600000000, 0.0006943900000000 ] - [ -0.0000564000000000, -0.0000384300000000, 0.0000815600000000 ] - [ -0.0005250400000000, -0.0001586500000000, -0.0007507700000000 ] - [ 0.0001814200000000, -0.0005345300000000, 0.0007244500000000 ] - [ 0.0002711100000000, 0.0004570400000000, 0.0026551700000000 ] - [ 0.0001694000000000, 0.0002757600000000, 0.0004244100000000 ] - [ -0.0005922800000000, 0.0002391500000000, -0.0022432300000000 ] - [ -0.0000458500000000, -0.0001022800000000, -0.0002391400000000 ] - [ 0.0007779700000000, -0.0005145000000000, -0.0020127500000000 ] - [ 0.0003480700000000, -0.0008410700000000, 0.0013519800000000 ] - [ 0.0002159700000000, 0.0002084400000000, -0.0006205100000000 ] - [ 0.0000839300000000, -0.0113853600000000, -0.0087122200000000 ] - [ 0.0010721600000000, -0.0003891100000000, 0.0002396300000000 ] - [ 0.0001232300000000, -0.0003845400000000, -0.0007858700000000 ]- atom: 49 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0027135600000000, -0.0046407200000000, -0.0019523300000000 ] - [ -0.0002517500000000, 0.0000432000000000, 0.0001225100000000 ] - [ 0.0000494400000000, -0.0002403700000000, 0.0008468100000000 ] - [ -0.0031181800000000, 0.0011996600000000, 0.0027320900000000 ] - [ -0.0000933200000000, -0.0002912000000000, -0.0004078600000000 ] - [ 0.0000213000000000, -0.0001130300000000, -0.0003549900000000 ] - [ -0.0000496500000000, -0.0003597200000000, 0.0008988400000000 ] - [ 0.0009785800000000, 0.0006871000000000, 0.0009281600000000 ] - [ 0.0036549900000000, 0.0014339500000000, 0.0027860500000000 ] - [ 0.0001896400000000, 0.0000531300000000, -0.0003833000000000 ] - [ -0.0003146400000000, 0.0000326800000000, -0.0003245600000000 ] - [ -0.0000542500000000, 0.0000149600000000, 0.0004361700000000 ] - [ -0.0016732800000000, -0.0047091800000000, -0.0022572100000000 ] - [ 0.0002412500000000, 0.0000619000000000, -0.0000053400000000 ] - [ 0.0000014200000000, 0.0001481200000000, 0.0003690100000000 ] - [ -0.0008044900000000, 0.0005808900000000, 0.0015590300000000 ] - [ -0.0003505800000000, 0.0005818900000000, -0.0033041400000000 ] - [ -0.0013105100000000, -0.0002284100000000, -0.0007032000000000 ] - [ 0.0009914500000000, -0.0000667900000000, 0.0006379800000000 ] - [ 0.0008427000000000, 0.0001201700000000, 0.0006139300000000 ] - [ -0.0005101500000000, 0.0006538600000000, 0.0012304300000000 ] - [ -0.0005407900000000, -0.0000638000000000, 0.0002109000000000 ] - [ -0.0005898500000000, 0.0000857200000000, -0.0003405000000000 ] - [ -0.0013110700000000, 0.0002739400000000, -0.0002556600000000 ] - [ 0.0026054700000000, -0.0036969400000000, 0.0038976000000000 ] - [ 0.0008137100000000, -0.0003516100000000, -0.0001531900000000 ] - [ 0.0025622000000000, -0.0039610100000000, 0.0032060400000000 ] - [ -0.0009803800000000, -0.0002460200000000, -0.0009453600000000 ] - [ -0.0010095200000000, -0.0002610900000000, 0.0002147200000000 ] - [ -0.0021607300000000, -0.0037959000000000, 0.0049095800000000 ] - [ 0.0008834200000000, -0.0003173800000000, -0.0006616600000000 ] - [ -0.0021861400000000, -0.0039409700000000, 0.0025567200000000 ] - [ 0.0007024100000000, -0.0006796500000000, 0.0017882800000000 ] - [ -0.0003249700000000, -0.0001770100000000, 0.0019380000000000 ] - [ 0.0010078300000000, 0.0009901400000000, 0.0016286800000000 ] - [ -0.0006656200000000, 0.0027848300000000, -0.0035145100000000 ] - [ 0.0014442600000000, 0.0004733300000000, -0.0031471100000000 ] - [ -0.0006390100000000, 0.0002481900000000, 0.0013879800000000 ] - [ -0.0010733100000000, -0.0558980700000000, -0.0051985200000000 ] - [ -0.0000957100000000, 0.0008338200000000, 0.0009817200000000 ] - [ -0.0014140200000000, -0.0002509500000000, -0.0031480400000000 ] - [ 0.0009352700000000, 0.0108272500000000, 0.0335569400000000 ] - [ -0.0002259900000000, 0.0007736500000000, 0.0038769600000000 ] - [ -0.0002195100000000, -0.0004772200000000, -0.0009511600000000 ] - [ 0.0002047700000000, -0.0028796600000000, 0.0046217600000000 ] - [ 0.0003801400000000, 0.0022279600000000, -0.0031916500000000 ] - [ -0.0004537000000000, 0.0000565000000000, 0.0005936700000000 ] - [ -0.0005461500000000, 0.0002909200000000, -0.0010983800000000 ] - [ 0.0000478600000000, 0.0680498200000000, 0.0077833700000000 ] - [ -0.0000006100000000, 0.0014574700000000, 0.0019634200000000 ] - [ 0.0000648100000000, 0.0001078500000000, 0.0007107900000000 ] - [ 0.0001854200000000, 0.0020386700000000, -0.0021808400000000 ] - [ 0.0000286300000000, 0.0000716200000000, -0.0002029200000000 ] - [ 0.0008053500000000, 0.0002608100000000, -0.0002324400000000 ] - [ 0.0004102900000000, -0.0006949300000000, -0.0011224200000000 ] - [ 0.0000743600000000, 0.0002562600000000, -0.0005354700000000 ] - [ 0.0007736800000000, -0.0000535900000000, 0.0001948100000000 ] - [ 0.0001122400000000, 0.0004719600000000, 0.0003927800000000 ] - [ -0.0002216400000000, -0.0007845600000000, 0.0008081500000000 ] - [ -0.0001010200000000, -0.0004528100000000, 0.0008628100000000 ] - [ -0.0003045400000000, -0.0000322800000000, 0.0000044500000000 ] - [ 0.0003026400000000, -0.0000586100000000, -0.0008815700000000 ] - [ -0.0002074200000000, 0.0001832500000000, 0.0005076900000000 ] - [ 0.0000182700000000, -0.0001057800000000, -0.0002739000000000 ] - [ -0.0002421900000000, 0.0004335000000000, -0.0005196400000000 ] - [ -0.0003445000000000, -0.0001439000000000, 0.0000082900000000 ] - [ -0.0004038100000000, 0.0007441800000000, 0.0006453000000000 ] - [ -0.0000880300000000, 0.0002857300000000, -0.0005055700000000 ] - [ 0.0012004200000000, 0.0009374500000000, 0.0008509500000000 ] - [ 0.0082733500000000, 0.0056681800000000, -0.0126659200000000 ] - [ 0.0005176600000000, 0.0005958800000000, -0.0007160100000000 ] - [ -0.0069662100000000, 0.0104757800000000, -0.0020349100000000 ] - [ 0.0006809300000000, -0.0006921000000000, -0.0024325600000000 ] - [ -0.0000792800000000, -0.0006762100000000, -0.0002301200000000 ] - [ -0.0000273900000000, -0.0006757600000000, 0.0004464700000000 ] - [ 0.0004787600000000, 0.0000973600000000, 0.0007219600000000 ] - [ -0.0005523600000000, -0.0008666600000000, 0.0010642800000000 ] - [ -0.0000334500000000, 0.0002236600000000, 0.0005368400000000 ] - [ -0.0005644800000000, -0.0000913800000000, 0.0000572200000000 ] - [ -0.0007140800000000, 0.0005989700000000, -0.0011535900000000 ] - [ 0.0001500100000000, -0.0001119500000000, -0.0021061200000000 ] - [ 0.0001011300000000, -0.0001814700000000, -0.0005908200000000 ] - [ -0.0017910300000000, 0.0003481100000000, -0.0004348300000000 ] - [ 0.0003025900000000, -0.0002922500000000, -0.0009440000000000 ] - [ 0.0001522900000000, 0.0005308400000000, -0.0001713900000000 ] - [ -0.0002047000000000, 0.0002040200000000, -0.0009654900000000 ] - [ 0.0004346700000000, -0.0005387100000000, 0.0006724100000000 ] - [ 0.0019807900000000, -0.0020582600000000, 0.0011736400000000 ] - [ 0.0000737400000000, -0.0000203900000000, 0.0002828300000000 ] - [ 0.0009564900000000, -0.0006986500000000, 0.0024440500000000 ] - [ -0.0006669100000000, -0.0084130500000000, -0.0071386900000000 ] - [ -0.0015387400000000, 0.0005360600000000, -0.0005973300000000 ] - [ 0.0001030800000000, -0.0001869300000000, -0.0017346100000000 ] - [ 0.0001335900000000, 0.0001175000000000, -0.0002907000000000 ] - [ 0.0005047000000000, -0.0000606300000000, -0.0007721300000000 ] - [ -0.0008315500000000, 0.0007070900000000, -0.0009462500000000 ] - [ -0.0000339500000000, 0.0008591900000000, -0.0013831000000000 ] - [ -0.0004632800000000, -0.0007478000000000, 0.0001478300000000 ] - [ -0.0002372100000000, 0.0002597600000000, -0.0001163500000000 ] - [ 0.0004154800000000, 0.0006755700000000, 0.0018198000000000 ] - [ -0.0000635900000000, 0.0002962600000000, -0.0011147100000000 ] - [ -0.0028361100000000, -0.0650417800000000, 0.0102629500000000 ] - [ -0.0006272100000000, 0.0015723100000000, -0.0039934800000000 ] - [ 0.0014291000000000, 0.0000092900000000, 0.0001605200000000 ] - [ -0.0084636400000000, 0.0055242900000000, -0.0114672500000000 ] - [ -0.0000782500000000, -0.0004528300000000, -0.0020416700000000 ] - [ 0.0073965700000000, 0.0110174400000000, -0.0025500300000000 ] - [ -0.0000600900000000, -0.0007558600000000, -0.0028030300000000 ] - [ -0.0002774600000000, -0.0000944300000000, 0.0026442100000000 ] - [ 0.0012256000000000, 0.0174706700000000, -0.0230057200000000 ] - [ 0.0000669100000000, 0.0000487700000000, 0.0001688500000000 ] - [ -0.0000008600000000, 0.0005771200000000, -0.0015086200000000 ] - [ 0.0003436300000000, -0.0003054000000000, -0.0006858300000000 ] - [ -0.0001214200000000, -0.0004988900000000, -0.0013214600000000 ] - [ 0.0016875300000000, 0.0003863700000000, -0.0010091400000000 ] - [ -0.0010675500000000, -0.0004320900000000, 0.0010745700000000 ] - [ -0.0017321200000000, 0.0012538600000000, 0.0012586400000000 ] - [ 0.0000159500000000, -0.0000193300000000, 0.0002786100000000 ] - [ -0.0007559400000000, 0.0003157800000000, 0.0019735400000000 ] - [ 0.0002057400000000, 0.0002214000000000, 0.0008788600000000 ] - [ 0.0010695900000000, 0.0004061600000000, -0.0007680100000000 ] - [ -0.0000065200000000, 0.0006876100000000, -0.0009827100000000 ] - [ 0.0014729700000000, 0.0004901800000000, -0.0002205700000000 ] - [ 0.0006208600000000, 0.0001025200000000, -0.0005377400000000 ] - [ -0.0003335200000000, -0.0003211100000000, 0.0006516700000000 ] - [ -0.0002109200000000, -0.0002842000000000, -0.0001231800000000 ] - [ -0.0008350300000000, -0.0003939900000000, -0.0022085000000000 ] - [ 0.0002185500000000, 0.0003908200000000, -0.0007825400000000 ] - [ 0.0002060200000000, 0.0004261600000000, 0.0018944200000000 ] - [ 0.0009044300000000, -0.0003781700000000, 0.0003426000000000 ] - [ -0.0002266500000000, 0.0005830900000000, 0.0024740700000000 ] - [ -0.0003222200000000, 0.0000240000000000, -0.0019597700000000 ] - [ -0.0002236900000000, 0.0000452000000000, 0.0000828300000000 ] - [ 0.0003071500000000, 0.0121319800000000, 0.0090876600000000 ] - [ -0.0001143400000000, -0.0011106000000000, -0.0010343100000000 ] - [ 0.0002651600000000, -0.0002815400000000, 0.0004320000000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0029874400000000, -0.0034281000000000, -0.0033710800000000 ] - [ -0.0003446700000000, 0.0000148100000000, 0.0001865900000000 ] - [ 0.0000258200000000, -0.0002182700000000, 0.0010866200000000 ] - [ -0.0029532100000000, 0.0005686100000000, 0.0031269900000000 ] - [ -0.0001250700000000, -0.0001784400000000, -0.0005895800000000 ] - [ 0.0000611500000000, -0.0000200700000000, -0.0005418600000000 ] - [ -0.0000286400000000, -0.0003403200000000, 0.0011287000000000 ] - [ 0.0014144700000000, 0.0006770900000000, 0.0014127400000000 ] - [ 0.0038291100000000, 0.0004835600000000, 0.0035807700000000 ] - [ 0.0002885000000000, 0.0000229400000000, -0.0003304100000000 ] - [ -0.0003747500000000, 0.0000039500000000, -0.0002724400000000 ] - [ -0.0000574300000000, 0.0000364900000000, 0.0005562400000000 ] - [ -0.0023033300000000, -0.0037778800000000, -0.0034728000000000 ] - [ 0.0003072000000000, 0.0000201400000000, 0.0000237300000000 ] - [ 0.0000029000000000, 0.0001696000000000, 0.0004893200000000 ] - [ -0.0011816500000000, 0.0005737000000000, 0.0020331400000000 ] - [ -0.0002988400000000, 0.0021037200000000, -0.0017912800000000 ] - [ -0.0013070900000000, -0.0001883500000000, -0.0010559600000000 ] - [ 0.0010300800000000, -0.0000629500000000, 0.0007978900000000 ] - [ 0.0009145100000000, 0.0001011900000000, 0.0007794200000000 ] - [ -0.0005254300000000, 0.0003720800000000, 0.0017843200000000 ] - [ -0.0005390000000000, -0.0000672500000000, 0.0003045900000000 ] - [ -0.0005807700000000, 0.0000605000000000, -0.0004532200000000 ] - [ -0.0015462100000000, 0.0001124500000000, -0.0004124800000000 ] - [ 0.0029792500000000, -0.0033972100000000, 0.0043944600000000 ] - [ 0.0010997800000000, -0.0001652000000000, -0.0000197400000000 ] - [ 0.0035750900000000, -0.0024956500000000, 0.0042379300000000 ] - [ -0.0012331500000000, -0.0000811500000000, -0.0008183400000000 ] - [ -0.0011840100000000, -0.0001253200000000, 0.0003734000000000 ] - [ -0.0025415900000000, -0.0034353000000000, 0.0053731000000000 ] - [ 0.0010818600000000, -0.0001879500000000, -0.0005089000000000 ] - [ -0.0032278100000000, -0.0026671600000000, 0.0035982800000000 ] - [ 0.0009485700000000, -0.0006712300000000, 0.0023152700000000 ] - [ -0.0005866000000000, -0.0002231700000000, 0.0024295400000000 ] - [ 0.0013953300000000, 0.0007544500000000, 0.0022771700000000 ] - [ -0.0029269700000000, 0.0015542200000000, -0.0049753300000000 ] - [ 0.0025713400000000, 0.0007232900000000, -0.0033663200000000 ] - [ -0.0009940800000000, 0.0000399100000000, 0.0019949300000000 ] - [ -0.0003277700000000, -0.0409359300000000, -0.0191997700000000 ] - [ -0.0000868300000000, 0.0008401400000000, 0.0012829700000000 ] - [ -0.0025693300000000, 0.0000164400000000, -0.0033399600000000 ] - [ 0.0000008600000000, -0.0028007800000000, 0.0550199600000000 ] - [ -0.0002100500000000, 0.0005127500000000, 0.0047043200000000 ] - [ -0.0002158600000000, -0.0004824800000000, -0.0013727600000000 ] - [ 0.0002339600000000, -0.0021219500000000, 0.0051835800000000 ] - [ 0.0029063600000000, 0.0010737300000000, -0.0050539600000000 ] - [ -0.0004497800000000, 0.0000835700000000, 0.0008756200000000 ] - [ -0.0005293000000000, 0.0002449100000000, -0.0014602400000000 ] - [ -0.0005295700000000, -0.0070462000000000, -0.0525414500000000 ] - [ -0.0000216600000000, 0.0017859400000000, 0.0023179300000000 ] - [ 0.0000656700000000, 0.0001526900000000, 0.0008671200000000 ] - [ 0.0001120500000000, 0.0035817900000000, 0.0015045600000000 ] - [ 0.0000313600000000, 0.0000576900000000, -0.0001781200000000 ] - [ 0.0008795500000000, 0.0002218100000000, -0.0002377400000000 ] - [ 0.0001455100000000, -0.0012992200000000, -0.0018984400000000 ] - [ 0.0000692300000000, 0.0003589300000000, -0.0006935400000000 ] - [ 0.0008052300000000, -0.0000112500000000, 0.0001318700000000 ] - [ 0.0001187400000000, 0.0005698700000000, 0.0005295700000000 ] - [ -0.0002343500000000, -0.0009851100000000, 0.0010614300000000 ] - [ -0.0001079100000000, -0.0006861000000000, 0.0011369900000000 ] - [ -0.0002888900000000, -0.0000339300000000, 0.0000411400000000 ] - [ 0.0005670100000000, -0.0007037400000000, -0.0015169500000000 ] - [ -0.0002423900000000, 0.0001640600000000, 0.0005596200000000 ] - [ 0.0000194000000000, -0.0001168200000000, -0.0002801500000000 ] - [ -0.0001888000000000, 0.0004511500000000, -0.0006685500000000 ] - [ -0.0004601600000000, -0.0001219700000000, -0.0001473000000000 ] - [ -0.0004014900000000, 0.0008104800000000, 0.0007448900000000 ] - [ -0.0000569200000000, -0.0003502400000000, -0.0015571400000000 ] - [ 0.0018373800000000, 0.0007745400000000, 0.0006757300000000 ] - [ 0.0073115600000000, 0.0045295900000000, -0.0105921600000000 ] - [ 0.0005761500000000, 0.0007746200000000, -0.0009479500000000 ] - [ -0.0076909000000000, 0.0117459400000000, -0.0017604100000000 ] - [ 0.0006491900000000, -0.0006423000000000, -0.0027002400000000 ] - [ -0.0000854200000000, -0.0007178600000000, -0.0003553400000000 ] - [ -0.0000289100000000, -0.0007243400000000, 0.0007581500000000 ] - [ 0.0008440800000000, -0.0000973200000000, 0.0006829200000000 ] - [ -0.0010635600000000, -0.0006546000000000, 0.0013262300000000 ] - [ -0.0000316500000000, 0.0002168400000000, 0.0006791100000000 ] - [ -0.0006670600000000, -0.0001367800000000, 0.0001650800000000 ] - [ -0.0009304100000000, 0.0006630300000000, -0.0014465100000000 ] - [ 0.0001497300000000, 0.0000133200000000, -0.0026093100000000 ] - [ 0.0001814800000000, -0.0002351000000000, -0.0007022200000000 ] - [ -0.0018988700000000, 0.0003005300000000, -0.0005076300000000 ] - [ 0.0003776500000000, -0.0001823200000000, -0.0012107600000000 ] - [ 0.0000407900000000, 0.0004922800000000, -0.0003728400000000 ] - [ -0.0001690000000000, 0.0001585600000000, -0.0012913100000000 ] - [ 0.0005036900000000, -0.0006128900000000, 0.0008206400000000 ] - [ 0.0022979400000000, -0.0015964400000000, 0.0013663300000000 ] - [ 0.0000620500000000, -0.0000659400000000, 0.0002342800000000 ] - [ 0.0007351300000000, -0.0007095000000000, 0.0034146000000000 ] - [ -0.0005433400000000, -0.0062903500000000, -0.0101345100000000 ] - [ -0.0017956500000000, 0.0002897500000000, -0.0007518900000000 ] - [ 0.0000809300000000, -0.0000997900000000, -0.0021348400000000 ] - [ 0.0000455700000000, 0.0000640900000000, -0.0004100300000000 ] - [ 0.0009413100000000, 0.0001482300000000, -0.0013477300000000 ] - [ -0.0012344600000000, 0.0008862400000000, -0.0015219300000000 ] - [ -0.0000345600000000, 0.0006189900000000, -0.0017138800000000 ] - [ -0.0004670800000000, -0.0007167600000000, 0.0000567700000000 ] - [ -0.0002987100000000, 0.0002178300000000, -0.0002320000000000 ] - [ 0.0025927400000000, 0.0006337600000000, 0.0017671700000000 ] - [ -0.0000676000000000, 0.0002517700000000, -0.0013498700000000 ] - [ -0.0008224300000000, -0.0067920800000000, 0.0131768300000000 ] - [ -0.0005870900000000, 0.0015531700000000, -0.0035604500000000 ] - [ 0.0018640300000000, -0.0000025100000000, 0.0001397700000000 ] - [ -0.0075172300000000, 0.0045274300000000, -0.0097359400000000 ] - [ -0.0000778100000000, -0.0004723100000000, -0.0025869500000000 ] - [ 0.0082471200000000, 0.0124240500000000, -0.0025999100000000 ] - [ -0.0000574200000000, -0.0010278800000000, -0.0032916900000000 ] - [ 0.0002021900000000, 0.0000631100000000, 0.0032167400000000 ] - [ 0.0001431800000000, 0.0285561500000000, 0.0188178300000000 ] - [ 0.0000645100000000, 0.0000180300000000, 0.0001188000000000 ] - [ -0.0000514500000000, 0.0000984600000000, -0.0018820100000000 ] - [ 0.0003960500000000, -0.0003456800000000, -0.0007920600000000 ] - [ -0.0000758100000000, -0.0005236200000000, -0.0017095800000000 ] - [ 0.0017357700000000, 0.0003560000000000, -0.0010691300000000 ] - [ -0.0013283200000000, 0.0003609700000000, 0.0017010100000000 ] - [ -0.0023912000000000, 0.0010789500000000, 0.0011385500000000 ] - [ -0.0003279000000000, -0.0001525500000000, 0.0002002800000000 ] - [ -0.0006014300000000, 0.0007421400000000, 0.0030602400000000 ] - [ 0.0008775400000000, 0.0002631200000000, 0.0010312800000000 ] - [ 0.0013223500000000, 0.0004625700000000, -0.0010911600000000 ] - [ -0.0000522000000000, 0.0008310500000000, -0.0014568800000000 ] - [ 0.0016617100000000, 0.0003194900000000, -0.0003801400000000 ] - [ 0.0007079300000000, 0.0001417700000000, -0.0007000500000000 ] - [ -0.0010415200000000, -0.0002504000000000, 0.0007918000000000 ] - [ -0.0002839100000000, -0.0002847000000000, -0.0002659900000000 ] - [ -0.0008040400000000, -0.0003402300000000, -0.0024665300000000 ] - [ 0.0002185400000000, 0.0004100500000000, -0.0009807000000000 ] - [ -0.0001527700000000, 0.0002311300000000, 0.0022912000000000 ] - [ 0.0009896300000000, -0.0004142500000000, 0.0004563800000000 ] - [ -0.0027066800000000, 0.0004019100000000, 0.0025349300000000 ] - [ -0.0002840200000000, -0.0003842400000000, -0.0022892800000000 ] - [ -0.0003097900000000, -0.0000390800000000, 0.0002246900000000 ] - [ 0.0000774400000000, 0.0102913500000000, 0.0124805300000000 ] - [ -0.0001949500000000, -0.0010387800000000, -0.0012024300000000 ] - [ 0.0002537800000000, -0.0002521900000000, 0.0007055100000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0029772600000000, 0.0036666900000000, 0.0033589500000000 ] - [ 0.0003434400000000, -0.0000144400000000, -0.0001857500000000 ] - [ -0.0000263300000000, 0.0002168100000000, -0.0012073800000000 ] - [ 0.0029407900000000, -0.0005724400000000, -0.0031098700000000 ] - [ 0.0001244300000000, -0.0000873900000000, 0.0005870400000000 ] - [ -0.0000598900000000, 0.0000198900000000, 0.0006653400000000 ] - [ 0.0000282600000000, 0.0000739200000000, -0.0011235100000000 ] - [ -0.0014160000000000, -0.0006722300000000, -0.0014112200000000 ] - [ -0.0038067700000000, -0.0004903900000000, -0.0027069800000000 ] - [ -0.0002877700000000, -0.0000224600000000, -0.0005209900000000 ] - [ 0.0003727200000000, -0.0000039500000000, -0.0005792100000000 ] - [ 0.0000579100000000, -0.0000360700000000, -0.0004278700000000 ] - [ 0.0022995700000000, 0.0037551000000000, 0.0033328900000000 ] - [ -0.0003058600000000, -0.0000199700000000, -0.0000241500000000 ] - [ -0.0000028300000000, 0.0000958200000000, -0.0004871500000000 ] - [ 0.0011836600000000, -0.0005694000000000, -0.0011789000000000 ] - [ -0.0007424900000000, -0.0022342300000000, 0.0018826000000000 ] - [ 0.0023401600000000, 0.0000698300000000, 0.0009459300000000 ] - [ 0.0000135300000000, -0.0000546500000000, -0.0006894700000000 ] - [ 0.0001285800000000, 0.0000175200000000, -0.0008800900000000 ] - [ -0.0005161300000000, -0.0002531800000000, -0.0016704500000000 ] - [ -0.0005024000000000, -0.0000513700000000, -0.0004076200000000 ] - [ -0.0004608100000000, 0.0000574000000000, 0.0003462600000000 ] - [ 0.0025758900000000, 0.0000083200000000, 0.0005150600000000 ] - [ -0.0029667700000000, 0.0033687300000000, -0.0043678200000000 ] - [ -0.0010940900000000, 0.0001641100000000, 0.0000190000000000 ] - [ -0.0035516800000000, 0.0024846200000000, -0.0025083100000000 ] - [ 0.0012275200000000, 0.0000801200000000, -0.0008939700000000 ] - [ 0.0011775200000000, 0.0001232100000000, -0.0003721700000000 ] - [ 0.0025309700000000, 0.0034054000000000, -0.0036334600000000 ] - [ -0.0010752700000000, 0.0001859000000000, -0.0012013100000000 ] - [ 0.0032053200000000, 0.0026538700000000, -0.0035791300000000 ] - [ -0.0008703700000000, -0.0006041600000000, -0.0022250700000000 ] - [ 0.0013491300000000, 0.0000728000000000, -0.0019090400000000 ] - [ -0.0013124100000000, 0.0005194100000000, -0.0023476200000000 ] - [ 0.0029935900000000, -0.0002798700000000, 0.0050261600000000 ] - [ -0.0018005600000000, -0.0008706500000000, 0.0028434400000000 ] - [ 0.0017523100000000, 0.0001086200000000, -0.0024963200000000 ] - [ -0.0004209900000000, 0.0408570600000000, 0.0196084100000000 ] - [ 0.0000123100000000, 0.0004354500000000, -0.0011977500000000 ] - [ 0.0026368600000000, -0.0012897400000000, 0.0032484500000000 ] - [ -0.0000501800000000, 0.0045674100000000, -0.0552281500000000 ] - [ -0.0005550400000000, -0.0003535900000000, -0.0041737400000000 ] - [ 0.0001400400000000, -0.0007905800000000, 0.0014476100000000 ] - [ -0.0003075600000000, 0.0008495000000000, -0.0052442100000000 ] - [ -0.0021344700000000, -0.0009248900000000, 0.0055346500000000 ] - [ -0.0003154500000000, -0.0002320800000000, -0.0013821000000000 ] - [ -0.0002365700000000, -0.0000940500000000, 0.0009442000000000 ] - [ 0.0006387200000000, 0.0052240400000000, 0.0533723600000000 ] - [ 0.0002211500000000, -0.0020509800000000, -0.0022278900000000 ] - [ 0.0000193100000000, -0.0003230000000000, -0.0003871800000000 ] - [ -0.0000275200000000, -0.0033715700000000, -0.0010117100000000 ] - [ 0.0000536200000000, 0.0001125700000000, -0.0003009900000000 ] - [ -0.0009582200000000, -0.0000499000000000, -0.0002413200000000 ] - [ -0.0003459300000000, 0.0010244100000000, 0.0019730900000000 ] - [ 0.0001305900000000, -0.0006286600000000, 0.0006091200000000 ] - [ -0.0008861400000000, -0.0001584400000000, 0.0003465200000000 ] - [ 0.0000813000000000, -0.0002960700000000, -0.0006087700000000 ] - [ 0.0000338300000000, 0.0007097300000000, -0.0011384600000000 ] - [ -0.0000920600000000, 0.0009545600000000, -0.0010505600000000 ] - [ 0.0002027800000000, -0.0001361200000000, -0.0005192700000000 ] - [ -0.0007632200000000, 0.0009748200000000, 0.0014321100000000 ] - [ 0.0001565400000000, 0.0000073100000000, -0.0000784300000000 ] - [ 0.0000655400000000, -0.0000538300000000, -0.0001995000000000 ] - [ -0.0006679200000000, 0.0000308900000000, 0.0005632200000000 ] - [ 0.0004645300000000, -0.0001316800000000, 0.0006840000000000 ] - [ -0.0005590400000000, 0.0006874500000000, 0.0000492900000000 ] - [ 0.0000742800000000, 0.0002772900000000, 0.0010784800000000 ] - [ -0.0018609100000000, -0.0015839500000000, -0.0012737200000000 ] - [ -0.0072011800000000, -0.0036818900000000, 0.0098689000000000 ] - [ -0.0004009500000000, 0.0001925100000000, 0.0012352400000000 ] - [ 0.0070975200000000, -0.0117561000000000, 0.0021864600000000 ] - [ 0.0002116500000000, 0.0001572100000000, 0.0025812000000000 ] - [ -0.0000879300000000, -0.0002494700000000, 0.0006454900000000 ] - [ -0.0001190500000000, -0.0002400900000000, -0.0014720900000000 ] - [ -0.0008342900000000, 0.0003509000000000, -0.0001425400000000 ] - [ 0.0012339500000000, -0.0003130000000000, -0.0010303900000000 ] - [ -0.0001415900000000, 0.0007473600000000, -0.0003846100000000 ] - [ 0.0001014000000000, 0.0001998900000000, -0.0006187500000000 ] - [ 0.0009342200000000, -0.0004062200000000, 0.0009028900000000 ] - [ 0.0002387500000000, -0.0006794200000000, 0.0029515800000000 ] - [ -0.0007420900000000, 0.0001702600000000, 0.0002442300000000 ] - [ 0.0018677600000000, -0.0003648100000000, 0.0009761400000000 ] - [ -0.0002037200000000, -0.0007828400000000, 0.0009144900000000 ] - [ 0.0009184600000000, 0.0010059700000000, 0.0011626800000000 ] - [ -0.0002192400000000, 0.0005074400000000, 0.0016411400000000 ] - [ -0.0004732700000000, -0.0002070800000000, -0.0002162100000000 ] - [ -0.0013305200000000, 0.0000929600000000, -0.0005665800000000 ] - [ -0.0000452600000000, -0.0000020500000000, 0.0002398200000000 ] - [ -0.0011165900000000, 0.0000430500000000, -0.0030438700000000 ] - [ -0.0004192600000000, 0.0047462900000000, 0.0093756900000000 ] - [ 0.0017694900000000, -0.0002206000000000, 0.0002753500000000 ] - [ 0.0000670500000000, -0.0008619900000000, 0.0014088800000000 ] - [ 0.0008091900000000, 0.0004151000000000, 0.0005100000000000 ] - [ -0.0017907400000000, -0.0006259700000000, 0.0014427500000000 ] - [ 0.0011982600000000, -0.0000642700000000, 0.0009129000000000 ] - [ 0.0000520900000000, -0.0005424200000000, 0.0012337300000000 ] - [ -0.0004937300000000, -0.0007825200000000, 0.0007350400000000 ] - [ 0.0003253600000000, 0.0006006200000000, 0.0008322900000000 ] - [ -0.0025718500000000, -0.0008819500000000, -0.0022886800000000 ] - [ -0.0000802000000000, 0.0007103300000000, 0.0006273900000000 ] - [ 0.0008009700000000, 0.0099228400000000, -0.0144000900000000 ] - [ -0.0003728600000000, -0.0000502400000000, 0.0027610300000000 ] - [ -0.0008999600000000, 0.0014977700000000, -0.0009312000000000 ] - [ 0.0074261100000000, -0.0047513600000000, 0.0101586800000000 ] - [ -0.0000945400000000, 0.0014313800000000, 0.0022888100000000 ] - [ -0.0073562800000000, -0.0118831500000000, 0.0024618800000000 ] - [ -0.0000900800000000, 0.0000616100000000, 0.0039967900000000 ] - [ -0.0000539800000000, -0.0010248300000000, -0.0024876700000000 ] - [ -0.0003999600000000, -0.0302249200000000, -0.0175110700000000 ] - [ -0.0000478300000000, 0.0000501700000000, 0.0003553300000000 ] - [ 0.0000442300000000, 0.0001521700000000, 0.0024092200000000 ] - [ -0.0004009400000000, 0.0000910100000000, 0.0002513000000000 ] - [ -0.0003115900000000, -0.0001434300000000, 0.0013471200000000 ] - [ -0.0017389800000000, -0.0004202800000000, 0.0005885700000000 ] - [ 0.0014971600000000, 0.0006035900000000, -0.0019835300000000 ] - [ 0.0015287300000000, -0.0005902900000000, -0.0010314800000000 ] - [ 0.0008880500000000, 0.0000886400000000, -0.0006536700000000 ] - [ 0.0007422000000000, 0.0002223700000000, -0.0037644900000000 ] - [ -0.0009037200000000, 0.0005575800000000, -0.0004238400000000 ] - [ -0.0007555000000000, -0.0005228500000000, 0.0015410700000000 ] - [ 0.0001991100000000, 0.0001340200000000, 0.0021671000000000 ] - [ -0.0016699000000000, -0.0002499100000000, 0.0008514000000000 ] - [ -0.0001429700000000, -0.0000769800000000, 0.0002427200000000 ] - [ 0.0001822100000000, -0.0002290800000000, -0.0008894800000000 ] - [ 0.0002540800000000, -0.0005337500000000, 0.0008663800000000 ] - [ 0.0002369000000000, 0.0003996200000000, 0.0029053000000000 ] - [ 0.0001693600000000, 0.0002566000000000, 0.0006211500000000 ] - [ -0.0002350500000000, 0.0004349600000000, -0.0026370600000000 ] - [ -0.0001299600000000, -0.0000666500000000, -0.0003521000000000 ] - [ 0.0032521300000000, -0.0003359200000000, -0.0020603800000000 ] - [ 0.0003114500000000, -0.0004378900000000, 0.0016758600000000 ] - [ 0.0003011300000000, 0.0002920300000000, -0.0007612200000000 ] - [ 0.0003100100000000, -0.0096116600000000, -0.0120969700000000 ] - [ 0.0011523100000000, -0.0004612700000000, 0.0004060400000000 ] - [ 0.0001344700000000, -0.0004137700000000, -0.0010576500000000 ]- atom: 51 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0001736400000000, 0.0002442800000000, 0.0000046400000000 ] - [ 0.0004392800000000, 0.0001660800000000, 0.0002333100000000 ] - [ -0.0003467600000000, -0.0006700200000000, -0.0011140100000000 ] - [ -0.0001334000000000, 0.0000223100000000, 0.0000737500000000 ] - [ 0.0001331100000000, -0.0001691700000000, 0.0000822700000000 ] - [ 0.0001467700000000, 0.0000419700000000, -0.0000160300000000 ] - [ -0.0002520900000000, 0.0004476400000000, 0.0012370200000000 ] - [ 0.0006886000000000, -0.0025257700000000, -0.0013830900000000 ] - [ -0.0001188000000000, -0.0000167900000000, 0.0003726800000000 ] - [ 0.0004172400000000, -0.0001204500000000, -0.0006579000000000 ] - [ 0.0001489800000000, 0.0000221500000000, -0.0003538500000000 ] - [ 0.0004165300000000, 0.0001671100000000, 0.0002997700000000 ] - [ -0.0001545300000000, -0.0000954500000000, -0.0000583500000000 ] - [ 0.0001242100000000, -0.0000152500000000, -0.0000572400000000 ] - [ 0.0004325600000000, -0.0000511100000000, -0.0001820400000000 ] - [ 0.0009129500000000, 0.0030912700000000, 0.0015771000000000 ] - [ -0.0011627600000000, -0.0000805000000000, -0.0000129300000000 ] - [ 0.0005187200000000, -0.0000646900000000, -0.0001344900000000 ] - [ 0.0005140100000000, -0.0000250900000000, -0.0004457700000000 ] - [ 0.0006659600000000, 0.0000138100000000, 0.0000532600000000 ] - [ -0.0007590900000000, 0.0000631600000000, 0.0000752600000000 ] - [ 0.0003829600000000, -0.0000653300000000, -0.0000579200000000 ] - [ -0.0004102000000000, 0.0000587700000000, -0.0000547900000000 ] - [ 0.0004018800000000, 0.0001156300000000, 0.0002884000000000 ] - [ 0.0014931500000000, 0.0106450000000000, -0.0104297800000000 ] - [ 0.0003130200000000, 0.0000869600000000, -0.0002113400000000 ] - [ -0.0003058200000000, 0.0000971000000000, 0.0006408400000000 ] - [ 0.0003325000000000, -0.0001158200000000, -0.0007088800000000 ] - [ 0.0013760200000000, -0.0007453100000000, 0.0008127300000000 ] - [ 0.0015806900000000, -0.0112236300000000, 0.0113469000000000 ] - [ 0.0013247600000000, 0.0006901100000000, -0.0016641600000000 ] - [ -0.0003136100000000, -0.0001137300000000, 0.0001746400000000 ] - [ 0.0060439500000000, -0.0044452900000000, 0.0025589700000000 ] - [ 0.0065817500000000, 0.0031159300000000, -0.0033883400000000 ] - [ 0.0000256700000000, 0.0007368200000000, -0.0009805800000000 ] - [ 0.0000529800000000, 0.0005782500000000, -0.0000910500000000 ] - [ 0.0012747800000000, -0.0005756500000000, -0.0011816100000000 ] - [ 0.0004042300000000, -0.0002493400000000, 0.0005279400000000 ] - [ -0.0007572400000000, -0.0000875400000000, 0.0002276500000000 ] - [ 0.0014475300000000, 0.0006240200000000, 0.0000794100000000 ] - [ 0.0007663300000000, -0.0004256100000000, 0.0010474600000000 ] - [ 0.0020331600000000, 0.0007201600000000, -0.0000969700000000 ] - [ -0.0029513600000000, -0.0000784000000000, 0.0001904500000000 ] - [ 0.0003274100000000, -0.0006354300000000, 0.0000271300000000 ] - [ -0.0007494800000000, -0.0006453500000000, -0.0000898100000000 ] - [ 0.0003946800000000, 0.0001661900000000, 0.0003181700000000 ] - [ 0.0003891300000000, -0.0000496800000000, -0.0003021000000000 ] - [ 0.0004303900000000, 0.0000872600000000, -0.0002423400000000 ] - [ 0.0000481300000000, 0.0001160300000000, 0.0000606100000000 ] - [ -0.0010524700000000, 0.0000041700000000, 0.0001283000000000 ] - [ -0.0310254300000000, -0.0017840300000000, 0.0019915300000000 ] - [ -0.0000059200000000, 0.0000861600000000, 0.0002407000000000 ] - [ 0.0001423000000000, 0.0000844400000000, -0.0002409600000000 ] - [ -0.0001578700000000, 0.0000011200000000, -0.0003538200000000 ] - [ -0.0001015700000000, 0.0000300500000000, 0.0002415900000000 ] - [ 0.0001631300000000, -0.0001503800000000, -0.0000287500000000 ] - [ -0.0000431900000000, -0.0000932400000000, 0.0002395700000000 ] - [ 0.0001883300000000, 0.0001591800000000, -0.0000191500000000 ] - [ -0.0002138800000000, -0.0009765700000000, 0.0008725600000000 ] - [ -0.0001905200000000, 0.0009564500000000, -0.0008099900000000 ] - [ -0.0000372700000000, -0.0000598100000000, -0.0001405800000000 ] - [ -0.0001049100000000, -0.0001245100000000, -0.0002857300000000 ] - [ 0.0000220600000000, 0.0000676000000000, 0.0002767900000000 ] - [ 0.0002004800000000, -0.0000845000000000, -0.0002327700000000 ] - [ -0.0032934900000000, 0.0004047700000000, -0.0004332400000000 ] - [ -0.0002378300000000, -0.0002375800000000, 0.0005725800000000 ] - [ -0.0005999400000000, 0.0007534000000000, 0.0004007600000000 ] - [ 0.0002525900000000, -0.0000322600000000, -0.0002344400000000 ] - [ 0.0006690900000000, 0.0003565900000000, -0.0011404900000000 ] - [ 0.0007558100000000, -0.0015362600000000, 0.0009162400000000 ] - [ 0.0001161100000000, 0.0009728900000000, -0.0005061400000000 ] - [ -0.0000712400000000, -0.0000758300000000, 0.0003066700000000 ] - [ 0.0018947300000000, -0.0012072300000000, 0.0000744800000000 ] - [ -0.0002987300000000, -0.0005117000000000, 0.0001459600000000 ] - [ -0.0002183300000000, -0.0004737000000000, -0.0003570000000000 ] - [ -0.0002208600000000, 0.0001624900000000, -0.0000689300000000 ] - [ 0.0000153800000000, -0.0003094000000000, 0.0004759000000000 ] - [ -0.0003400400000000, 0.0004900500000000, 0.0001365200000000 ] - [ -0.0008136200000000, -0.0000942000000000, -0.0000196000000000 ] - [ -0.0061112400000000, 0.0007332000000000, -0.0018945000000000 ] - [ 0.0007286300000000, -0.0003041800000000, 0.0001218300000000 ] - [ -0.0006778800000000, 0.0000478500000000, -0.0001935000000000 ] - [ -0.0001259700000000, -0.0004839400000000, 0.0008178400000000 ] - [ -0.0007802500000000, -0.0021520200000000, 0.0005833600000000 ] - [ -0.0005461400000000, 0.0021151200000000, 0.0003550500000000 ] - [ -0.0012011600000000, 0.0002146700000000, 0.0021237900000000 ] - [ -0.0001922700000000, -0.0003544400000000, 0.0002770200000000 ] - [ 0.0004730400000000, -0.0007263200000000, 0.0003950600000000 ] - [ -0.0002512900000000, -0.0000293000000000, 0.0002433800000000 ] - [ -0.0001697700000000, -0.0003355700000000, 0.0001111100000000 ] - [ -0.0001743700000000, -0.0007462600000000, -0.0004089400000000 ] - [ -0.0000065400000000, 0.0000225200000000, -0.0001411500000000 ] - [ -0.0006445600000000, 0.0003619500000000, -0.0022226300000000 ] - [ 0.0000188700000000, 0.0001773000000000, 0.0000877200000000 ] - [ -0.0001513800000000, -0.0000841800000000, -0.0002381000000000 ] - [ 0.0002422400000000, 0.0003026100000000, 0.0000053100000000 ] - [ 0.0273800400000000, 0.0012477400000000, -0.0016854800000000 ] - [ -0.0010975500000000, -0.0007573800000000, 0.0003844400000000 ] - [ -0.0008429300000000, 0.0000710400000000, 0.0001739600000000 ] - [ 0.0000911100000000, -0.0000953200000000, -0.0002649500000000 ] - [ -0.0004056000000000, 0.0004738100000000, -0.0003866600000000 ] - [ -0.0003158200000000, 0.0004803600000000, 0.0003093300000000 ] - [ -0.0002852300000000, 0.0007211000000000, -0.0003790800000000 ] - [ 0.0003554000000000, 0.0007064600000000, -0.0008825600000000 ] - [ 0.0005518700000000, 0.0021881800000000, -0.0012308700000000 ] - [ 0.0020577400000000, 0.0006977800000000, -0.0002414200000000 ] - [ 0.0006340300000000, 0.0002778500000000, -0.0001014200000000 ] - [ 0.0008826000000000, -0.0005430700000000, 0.0003582000000000 ] - [ 0.0000197200000000, -0.0005518200000000, -0.0001065500000000 ] - [ 0.0000215000000000, -0.0004652700000000, -0.0001494400000000 ] - [ -0.0008973200000000, 0.0000461100000000, 0.0002278100000000 ] - [ 0.0004330800000000, 0.0003051600000000, 0.0002620500000000 ] - [ -0.0008561600000000, 0.0002458900000000, -0.0001470600000000 ] - [ -0.0002613100000000, -0.0004804300000000, -0.0007237000000000 ] - [ -0.0003173100000000, 0.0006303900000000, -0.0008519000000000 ] - [ 0.0000803700000000, 0.0003680400000000, -0.0002436900000000 ] - [ -0.0001009800000000, -0.0003778800000000, 0.0011184400000000 ] - [ -0.0000066200000000, -0.0000189500000000, 0.0000933700000000 ] - [ 0.0000843300000000, 0.0006158400000000, -0.0001642400000000 ] - [ -0.0001201200000000, 0.0004418000000000, 0.0003101400000000 ] - [ -0.0061407000000000, -0.0005425300000000, 0.0024526900000000 ] - [ 0.0000918300000000, 0.0001122100000000, 0.0012633600000000 ] - [ -0.0000134900000000, 0.0000570100000000, 0.0001566600000000 ] - [ -0.0000125600000000, 0.0002033100000000, -0.0005207000000000 ] - [ -0.0005267500000000, -0.0002724300000000, -0.0000307800000000 ] - [ -0.0028064700000000, -0.0005885000000000, 0.0006282500000000 ] - [ 0.0013543600000000, 0.0011943400000000, 0.0000950100000000 ] - [ -0.0002939400000000, 0.0003257200000000, -0.0001541000000000 ] - [ -0.0003446000000000, 0.0003016100000000, 0.0003469000000000 ] - [ -0.0001084000000000, -0.0001247000000000, -0.0001777800000000 ] - [ 0.0003667500000000, -0.0000031400000000, 0.0002418900000000 ] - [ 0.0004576200000000, -0.0005509900000000, -0.0002502900000000 ] - [ -0.0002037900000000, 0.0000641700000000, -0.0002174800000000 ] - [ 0.0003902400000000, 0.0003347200000000, 0.0002070000000000 ] - [ 0.0004892000000000, -0.0007682900000000, -0.0001010000000000 ] - [ -0.0000022600000000, -0.0003346500000000, -0.0001845600000000 ]- atom: 51 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0001798400000000, 0.0000191600000000, -0.0000079400000000 ] - [ -0.0004390400000000, -0.0001641500000000, -0.0002295800000000 ] - [ 0.0003278100000000, 0.0006654600000000, 0.0009854800000000 ] - [ 0.0001367200000000, -0.0000230500000000, -0.0000740400000000 ] - [ -0.0001341600000000, -0.0000964000000000, -0.0000807800000000 ] - [ -0.0001447500000000, -0.0000419800000000, 0.0001437100000000 ] - [ 0.0002704300000000, -0.0007160000000000, -0.0012399900000000 ] - [ -0.0006620700000000, 0.0025422700000000, 0.0013907800000000 ] - [ 0.0001160500000000, 0.0000162800000000, 0.0004787600000000 ] - [ -0.0004173400000000, 0.0001217500000000, -0.0001901100000000 ] - [ -0.0001482400000000, -0.0000218900000000, -0.0004992000000000 ] - [ -0.0004159000000000, -0.0001690600000000, -0.0001772200000000 ] - [ 0.0001476400000000, 0.0000931100000000, -0.0000704400000000 ] - [ -0.0001253800000000, 0.0000156200000000, 0.0000559900000000 ] - [ -0.0004317900000000, 0.0003135700000000, 0.0001788000000000 ] - [ -0.0009398500000000, -0.0030678300000000, -0.0007168100000000 ] - [ 0.0001217400000000, -0.0000475600000000, 0.0000836700000000 ] - [ 0.0005250600000000, -0.0000540300000000, 0.0000302200000000 ] - [ 0.0005230100000000, -0.0000919900000000, 0.0005452900000000 ] - [ 0.0003826700000000, 0.0001038400000000, -0.0001591300000000 ] - [ -0.0002824500000000, 0.0000556000000000, 0.0000341700000000 ] - [ -0.0014236800000000, -0.0000522100000000, -0.0000482600000000 ] - [ -0.0006310400000000, 0.0000589600000000, -0.0000500800000000 ] - [ 0.0006322800000000, 0.0000034100000000, -0.0001810000000000 ] - [ -0.0014794100000000, -0.0108086100000000, 0.0105070600000000 ] - [ -0.0003166100000000, -0.0000885800000000, 0.0002078500000000 ] - [ 0.0002983400000000, -0.0000932000000000, 0.0010708900000000 ] - [ -0.0003282000000000, 0.0001141500000000, -0.0010059000000000 ] - [ -0.0013741000000000, 0.0007362200000000, -0.0008003200000000 ] - [ -0.0015934400000000, 0.0110526400000000, -0.0095616800000000 ] - [ -0.0013242800000000, -0.0006977800000000, -0.0000352800000000 ] - [ 0.0003206600000000, 0.0001175200000000, -0.0001743200000000 ] - [ -0.0060397000000000, 0.0032393900000000, -0.0025142400000000 ] - [ -0.0057395500000000, -0.0032079800000000, 0.0038400400000000 ] - [ 0.0000394100000000, 0.0005378200000000, 0.0008903200000000 ] - [ 0.0000280200000000, 0.0006959100000000, 0.0001712300000000 ] - [ -0.0005055100000000, 0.0004319000000000, 0.0006794100000000 ] - [ 0.0003717900000000, 0.0004038100000000, -0.0010440200000000 ] - [ -0.0000096200000000, -0.0000612600000000, 0.0002732100000000 ] - [ -0.0015205300000000, 0.0006511000000000, -0.0000034000000000 ] - [ -0.0006947100000000, -0.0008389800000000, -0.0011188600000000 ] - [ -0.0021150200000000, 0.0005558800000000, -0.0000090200000000 ] - [ 0.0021886400000000, 0.0002028000000000, 0.0003170300000000 ] - [ -0.0004014900000000, -0.0006387400000000, 0.0000571100000000 ] - [ 0.0006742900000000, -0.0006214200000000, 0.0000429700000000 ] - [ 0.0003642100000000, -0.0000142700000000, 0.0001922900000000 ] - [ -0.0011539400000000, -0.0001000400000000, -0.0002173600000000 ] - [ -0.0011962700000000, 0.0000630900000000, -0.0002626600000000 ] - [ 0.0001521100000000, 0.0001606200000000, 0.0000142500000000 ] - [ 0.0012503700000000, -0.0002810900000000, -0.0000113200000000 ] - [ 0.0311027200000000, -0.0008916900000000, 0.0014149200000000 ] - [ 0.0000908100000000, 0.0000843700000000, 0.0002384000000000 ] - [ -0.0000573000000000, 0.0000866100000000, -0.0002393200000000 ] - [ 0.0000777100000000, 0.0001706300000000, -0.0001247000000000 ] - [ -0.0000994100000000, -0.0002991100000000, -0.0001573600000000 ] - [ 0.0000369300000000, -0.0001227300000000, -0.0000509800000000 ] - [ -0.0000428900000000, -0.0000777300000000, 0.0002402500000000 ] - [ 0.0000115200000000, 0.0001108400000000, -0.0000652300000000 ] - [ 0.0000171000000000, 0.0007157500000000, -0.0009653600000000 ] - [ -0.0000129700000000, -0.0006745500000000, 0.0008815000000000 ] - [ -0.0000460100000000, -0.0001115000000000, -0.0003402800000000 ] - [ -0.0000934100000000, 0.0003984600000000, 0.0002059800000000 ] - [ -0.0001107200000000, 0.0001026800000000, 0.0002033200000000 ] - [ -0.0001153500000000, -0.0000862400000000, -0.0002459100000000 ] - [ 0.0024088100000000, 0.0000747600000000, 0.0003285600000000 ] - [ 0.0002484300000000, -0.0000157100000000, -0.0000312600000000 ] - [ -0.0003610200000000, 0.0007442800000000, 0.0003906400000000 ] - [ -0.0002351100000000, -0.0000355400000000, -0.0002386600000000 ] - [ -0.0007015300000000, -0.0011789700000000, 0.0005118000000000 ] - [ -0.0006995200000000, 0.0023418900000000, -0.0015062400000000 ] - [ 0.0000534400000000, -0.0000140300000000, 0.0008056600000000 ] - [ -0.0004861500000000, 0.0000104800000000, 0.0001510900000000 ] - [ -0.0010661600000000, 0.0007382900000000, -0.0001735400000000 ] - [ 0.0001252500000000, -0.0004541500000000, 0.0001499600000000 ] - [ 0.0000699700000000, -0.0004889000000000, -0.0003643900000000 ] - [ 0.0002328900000000, 0.0000891100000000, 0.0006024700000000 ] - [ 0.0001537900000000, -0.0006612200000000, -0.0001857800000000 ] - [ 0.0001664200000000, 0.0004753700000000, 0.0001537300000000 ] - [ 0.0002512800000000, 0.0001587700000000, -0.0004382000000000 ] - [ 0.0061636200000000, -0.0004859600000000, 0.0013728500000000 ] - [ -0.0003407800000000, -0.0003501700000000, 0.0002189200000000 ] - [ 0.0001139700000000, -0.0001101200000000, -0.0002579400000000 ] - [ 0.0001009600000000, 0.0004249600000000, -0.0003519900000000 ] - [ 0.0009488300000000, 0.0011608900000000, -0.0008670500000000 ] - [ 0.0015113000000000, -0.0006376100000000, 0.0004358000000000 ] - [ 0.0008049300000000, 0.0004500700000000, -0.0017407400000000 ] - [ 0.0002192200000000, -0.0004630200000000, 0.0003238900000000 ] - [ 0.0004847500000000, -0.0007729000000000, 0.0003977600000000 ] - [ 0.0002678300000000, -0.0000376200000000, 0.0002304100000000 ] - [ -0.0002140200000000, -0.0003312600000000, 0.0002449700000000 ] - [ -0.0007836000000000, -0.0007340200000000, -0.0003665400000000 ] - [ -0.0000058500000000, 0.0000447600000000, -0.0003310400000000 ] - [ 0.0007969700000000, -0.0013373200000000, 0.0015284800000000 ] - [ 0.0008382800000000, 0.0003044200000000, 0.0000192600000000 ] - [ -0.0007130800000000, -0.0003993400000000, 0.0003433200000000 ] - [ -0.0002638300000000, 0.0005130700000000, -0.0006046400000000 ] - [ -0.0273520900000000, 0.0015349900000000, -0.0017979300000000 ] - [ 0.0001365800000000, -0.0007434700000000, 0.0004081400000000 ] - [ 0.0008716600000000, 0.0007487600000000, 0.0004282600000000 ] - [ -0.0000874300000000, -0.0001600500000000, -0.0002738400000000 ] - [ 0.0002574600000000, 0.0004900400000000, -0.0003277300000000 ] - [ 0.0001692600000000, 0.0004847000000000, 0.0004244800000000 ] - [ -0.0006747300000000, 0.0007812700000000, -0.0004229600000000 ] - [ 0.0006098900000000, 0.0007883300000000, 0.0000866700000000 ] - [ -0.0005875200000000, -0.0024659800000000, 0.0017889100000000 ] - [ -0.0022328100000000, 0.0003239100000000, -0.0000701400000000 ] - [ 0.0002190700000000, 0.0002017300000000, 0.0000009800000000 ] - [ -0.0010279500000000, -0.0004250700000000, 0.0003242100000000 ] - [ 0.0001295200000000, -0.0004141500000000, 0.0008178000000000 ] - [ -0.0001944400000000, -0.0005027200000000, -0.0001377400000000 ] - [ 0.0009132500000000, 0.0000232800000000, 0.0002412600000000 ] - [ -0.0004481700000000, -0.0000557700000000, 0.0002693300000000 ] - [ 0.0008472400000000, -0.0004983400000000, -0.0003914900000000 ] - [ -0.0001316800000000, -0.0001845700000000, 0.0003726300000000 ] - [ 0.0003058100000000, -0.0006865500000000, 0.0003713700000000 ] - [ 0.0000949800000000, 0.0005958800000000, -0.0000501500000000 ] - [ -0.0007526300000000, 0.0008532500000000, -0.0010428000000000 ] - [ 0.0005626400000000, -0.0000471200000000, -0.0005548500000000 ] - [ 0.0000598200000000, 0.0003463800000000, -0.0005553600000000 ] - [ 0.0000871300000000, 0.0003786000000000, 0.0002932600000000 ] - [ 0.0066581800000000, 0.0004718000000000, -0.0019699900000000 ] - [ 0.0000604700000000, 0.0008466200000000, -0.0005353800000000 ] - [ -0.0000083700000000, 0.0000103200000000, 0.0003170400000000 ] - [ 0.0005714200000000, -0.0001397500000000, 0.0000671500000000 ] - [ -0.0003264500000000, -0.0002080600000000, -0.0000712300000000 ] - [ 0.0028034500000000, -0.0002329400000000, -0.0000282100000000 ] - [ -0.0018856500000000, -0.0011219100000000, 0.0003634900000000 ] - [ 0.0006813000000000, 0.0003403500000000, -0.0001954900000000 ] - [ -0.0000454600000000, 0.0003655700000000, -0.0007090700000000 ] - [ 0.0009643700000000, -0.0003547700000000, 0.0002779400000000 ] - [ 0.0002001400000000, 0.0000651800000000, 0.0002128800000000 ] - [ -0.0004202700000000, -0.0002726100000000, -0.0003594100000000 ] - [ 0.0001968000000000, 0.0001905800000000, -0.0003221000000000 ] - [ -0.0000018400000000, 0.0003332000000000, 0.0001582900000000 ] - [ 0.0004746700000000, -0.0007312300000000, -0.0006880700000000 ] - [ 0.0003904000000000, -0.0003324900000000, -0.0001745000000000 ]- atom: 51 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000087900000000, 0.0002966100000000, -0.0000593900000000 ] - [ 0.0000261900000000, -0.0000226000000000, -0.0000085000000000 ] - [ -0.0003543400000000, 0.0002497300000000, 0.0007224100000000 ] - [ -0.0000460600000000, 0.0000034300000000, -0.0000315600000000 ] - [ 0.0000046900000000, -0.0001148000000000, -0.0000340000000000 ] - [ -0.0000027900000000, 0.0000203500000000, 0.0000304200000000 ] - [ 0.0003494300000000, 0.0000051800000000, 0.0008439800000000 ] - [ -0.0024198200000000, 0.0013064900000000, 0.0011114700000000 ] - [ 0.0000402300000000, 0.0000016200000000, 0.0003934600000000 ] - [ -0.0000185300000000, -0.0000231300000000, -0.0004368500000000 ] - [ -0.0000174200000000, -0.0000057700000000, -0.0004220200000000 ] - [ 0.0000064500000000, 0.0000293700000000, 0.0001169100000000 ] - [ -0.0000135500000000, 0.0001452800000000, -0.0001673700000000 ] - [ 0.0000197300000000, -0.0000062800000000, -0.0000013600000000 ] - [ 0.0000023400000000, 0.0001619600000000, 0.0000411300000000 ] - [ 0.0029085100000000, 0.0017278600000000, 0.0013449200000000 ] - [ -0.0005321300000000, -0.0017438400000000, 0.0008813100000000 ] - [ 0.0005015100000000, -0.0000681700000000, -0.0000922100000000 ] - [ 0.0005839900000000, -0.0000779600000000, 0.0001003900000000 ] - [ 0.0004881100000000, 0.0001724800000000, -0.0000015000000000 ] - [ -0.0005204900000000, 0.0000766400000000, -0.0001437300000000 ] - [ -0.0005078000000000, -0.0000810900000000, -0.0000240400000000 ] - [ -0.0005196500000000, 0.0000575800000000, -0.0000685200000000 ] - [ 0.0006476400000000, 0.0000981600000000, 0.0000248100000000 ] - [ 0.0055360800000000, 0.0057220500000000, -0.0056668800000000 ] - [ 0.0000569400000000, 0.0000296100000000, 0.0000015100000000 ] - [ 0.0000849800000000, -0.0000231900000000, 0.0007479600000000 ] - [ -0.0000508800000000, 0.0000253600000000, -0.0008522800000000 ] - [ -0.0000461500000000, 0.0001109900000000, -0.0000435300000000 ] - [ -0.0059399800000000, 0.0056535500000000, -0.0047100000000000 ] - [ 0.0000679900000000, 0.0001368300000000, -0.0009358900000000 ] - [ -0.0000991600000000, -0.0000225500000000, -0.0001058800000000 ] - [ 0.0003326900000000, -0.0018594900000000, 0.0004249200000000 ] - [ 0.0003010800000000, -0.0006490300000000, 0.0007158500000000 ] - [ 0.0002072400000000, 0.0006563100000000, 0.0000024600000000 ] - [ -0.0000530700000000, 0.0006277100000000, 0.0000241800000000 ] - [ 0.0005509300000000, -0.0003998500000000, -0.0005171100000000 ] - [ 0.0001969200000000, 0.0000705800000000, -0.0001957100000000 ] - [ -0.0003985600000000, -0.0002729100000000, -0.0000245100000000 ] - [ -0.0000238600000000, 0.0006550500000000, 0.0001199900000000 ] - [ -0.0001665900000000, -0.0012249300000000, -0.0001618700000000 ] - [ 0.0002144000000000, 0.0024118400000000, 0.0005887700000000 ] - [ -0.0002246800000000, 0.0114555900000000, 0.0030664500000000 ] - [ -0.0000341300000000, -0.0006361900000000, -0.0000249300000000 ] - [ -0.0000370000000000, -0.0005920000000000, -0.0006580100000000 ] - [ 0.0004787400000000, 0.0000304500000000, 0.0002437700000000 ] - [ -0.0003793800000000, -0.0000872600000000, -0.0001579800000000 ] - [ -0.0003702700000000, 0.0000840300000000, -0.0003240400000000 ] - [ 0.0000861700000000, -0.0000555300000000, 0.0002770400000000 ] - [ 0.0002405500000000, -0.0021281200000000, -0.0034623500000000 ] - [ -0.0004061200000000, -0.1968349500000000, 0.2120749100000000 ] - [ 0.0000415700000000, 0.0000880600000000, 0.0002498000000000 ] - [ 0.0000435400000000, 0.0000828900000000, -0.0002357300000000 ] - [ -0.0001269200000000, 0.0001067200000000, -0.0002631100000000 ] - [ -0.0000816300000000, -0.0002355500000000, -0.0000395300000000 ] - [ 0.0000990800000000, -0.0001221700000000, -0.0000685900000000 ] - [ -0.0000347300000000, -0.0000855500000000, 0.0002289600000000 ] - [ 0.0001025400000000, 0.0001563200000000, -0.0000090900000000 ] - [ -0.0001883800000000, -0.0003135200000000, 0.0000967500000000 ] - [ -0.0000057800000000, 0.0001019800000000, 0.0001158900000000 ] - [ -0.0000687000000000, -0.0000848000000000, -0.0002309500000000 ] - [ -0.0001375400000000, 0.0000813100000000, -0.0000935700000000 ] - [ -0.0000567800000000, 0.0001253700000000, 0.0002257000000000 ] - [ 0.0000433900000000, -0.0000960800000000, -0.0002466100000000 ] - [ -0.0000728200000000, 0.0002602400000000, -0.0001112800000000 ] - [ -0.0000568800000000, -0.0001546400000000, 0.0002649700000000 ] - [ -0.0004806700000000, 0.0007576800000000, 0.0004113900000000 ] - [ 0.0000102400000000, -0.0000361900000000, -0.0001970000000000 ] - [ 0.0010586900000000, 0.0002168600000000, 0.0002672800000000 ] - [ -0.0004451900000000, -0.0000804300000000, -0.0004816400000000 ] - [ 0.0001644400000000, 0.0005686100000000, 0.0000555400000000 ] - [ -0.0002604400000000, -0.0000250000000000, 0.0003374200000000 ] - [ 0.0009790200000000, -0.0038179300000000, -0.0008684400000000 ] - [ -0.0000898400000000, -0.0004821300000000, 0.0001120300000000 ] - [ -0.0000748000000000, -0.0004877400000000, -0.0003048600000000 ] - [ 0.0001775900000000, 0.0001836300000000, 0.0003106600000000 ] - [ 0.0001336000000000, -0.0001928600000000, 0.0001801700000000 ] - [ -0.0000899000000000, 0.0004807000000000, 0.0001750400000000 ] - [ -0.0003009600000000, 0.0000030900000000, -0.0001913600000000 ] - [ -0.0025701600000000, 0.0020762800000000, -0.0013247300000000 ] - [ 0.0002065400000000, -0.0031419500000000, 0.0008645400000000 ] - [ -0.0002591900000000, -0.0000443200000000, -0.0002640400000000 ] - [ -0.0000127800000000, -0.0001849500000000, 0.0003234100000000 ] - [ -0.0000722700000000, -0.0000409000000000, -0.0002517100000000 ] - [ 0.0006478100000000, 0.0012389400000000, 0.0004267700000000 ] - [ -0.0000941800000000, 0.0004057400000000, -0.0001219100000000 ] - [ 0.0000268300000000, -0.0004193900000000, 0.0003239100000000 ] - [ 0.0005070500000000, -0.0007371600000000, 0.0004069200000000 ] - [ 0.0000054000000000, -0.0000418200000000, 0.0002353700000000 ] - [ -0.0002495400000000, -0.0003527700000000, 0.0001820400000000 ] - [ -0.0005290200000000, -0.0019186900000000, -0.0017122100000000 ] - [ -0.0000665500000000, 0.0000315300000000, -0.0002195800000000 ] - [ 0.0000003500000000, -0.0001683500000000, -0.0007845900000000 ] - [ 0.0004033500000000, 0.0002283400000000, 0.0000115800000000 ] - [ -0.0003002000000000, -0.0002178000000000, 0.0000405400000000 ] - [ -0.0001267800000000, 0.0004242100000000, -0.0003034900000000 ] - [ 0.0000846700000000, 0.1868029500000000, -0.2038980300000000 ] - [ -0.0004845700000000, -0.0007351200000000, 0.0003810300000000 ] - [ -0.0000031500000000, 0.0003680600000000, 0.0002754900000000 ] - [ 0.0000666500000000, -0.0001174300000000, -0.0002516800000000 ] - [ -0.0000773700000000, 0.0004681000000000, -0.0004197100000000 ] - [ -0.0001085500000000, 0.0001540500000000, -0.0001647800000000 ] - [ -0.0004830100000000, 0.0008006700000000, -0.0003056900000000 ] - [ 0.0003679200000000, 0.0010445200000000, -0.0004777700000000 ] - [ 0.0005468600000000, -0.0004381900000000, -0.0003031500000000 ] - [ -0.0000092800000000, -0.0078003600000000, 0.0021280300000000 ] - [ 0.0004225700000000, 0.0002505900000000, 0.0000584700000000 ] - [ -0.0001197800000000, 0.0010872600000000, 0.0012440400000000 ] - [ 0.0001427100000000, -0.0003244500000000, 0.0005722000000000 ] - [ -0.0000765900000000, -0.0002840600000000, -0.0001819600000000 ] - [ -0.0000024300000000, 0.0000069200000000, 0.0002605200000000 ] - [ 0.0001877000000000, 0.0002217400000000, 0.0004758800000000 ] - [ 0.0000042900000000, -0.0001594200000000, -0.0002931800000000 ] - [ -0.0001332600000000, -0.0004108800000000, -0.0002583200000000 ] - [ 0.0000323900000000, -0.0001330300000000, -0.0001835100000000 ] - [ 0.0000612200000000, 0.0005484400000000, -0.0000916600000000 ] - [ -0.0014117700000000, 0.0009614800000000, 0.0005850300000000 ] - [ 0.0001297000000000, -0.0000048600000000, -0.0001510900000000 ] - [ 0.0001248700000000, 0.0005056700000000, -0.0003276500000000 ] - [ 0.0000226400000000, 0.0003976900000000, 0.0003040500000000 ] - [ 0.0025612700000000, 0.0019552100000000, -0.0008080600000000 ] - [ 0.0000000400000000, 0.0004747700000000, 0.0002714600000000 ] - [ 0.0000543000000000, 0.0000303300000000, 0.0002502200000000 ] - [ 0.0003295000000000, 0.0000256100000000, -0.0002357700000000 ] - [ -0.0004649800000000, -0.0002377000000000, -0.0000525100000000 ] - [ -0.0004948700000000, -0.0003461200000000, 0.0002829900000000 ] - [ -0.0009964800000000, -0.0039810800000000, -0.0005055700000000 ] - [ 0.0001903400000000, 0.0003442500000000, -0.0002536000000000 ] - [ -0.0002574300000000, 0.0003488200000000, 0.0000042600000000 ] - [ 0.0004318800000000, -0.0002683800000000, 0.0000869100000000 ] - [ 0.0002130000000000, 0.0000467000000000, 0.0002497400000000 ] - [ -0.0001708500000000, -0.0003174100000000, -0.0000936600000000 ] - [ -0.0000224700000000, 0.0001147400000000, -0.0002484800000000 ] - [ 0.0001904800000000, 0.0004496700000000, 0.0005213100000000 ] - [ 0.0004206100000000, -0.0007479300000000, -0.0004042400000000 ] - [ 0.0001905200000000, -0.0003306800000000, -0.0001312000000000 ]- atom: 51 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000092500000000, -0.0000301900000000, 0.0000555200000000 ] - [ -0.0000263200000000, 0.0000214800000000, 0.0000100500000000 ] - [ 0.0003637400000000, -0.0002382800000000, -0.0008512600000000 ] - [ 0.0000451800000000, -0.0000037500000000, 0.0000283400000000 ] - [ -0.0000053200000000, -0.0001498800000000, 0.0000328900000000 ] - [ 0.0000044500000000, -0.0000192700000000, 0.0000947300000000 ] - [ -0.0003573900000000, -0.0002580600000000, -0.0008437200000000 ] - [ 0.0024007500000000, -0.0013237200000000, -0.0010877200000000 ] - [ -0.0000390400000000, -0.0000016700000000, 0.0004548200000000 ] - [ 0.0000185200000000, 0.0000221900000000, -0.0004132300000000 ] - [ 0.0000164100000000, 0.0000053700000000, -0.0004307700000000 ] - [ -0.0000065400000000, -0.0000278700000000, 0.0000104500000000 ] - [ 0.0000123100000000, -0.0001447400000000, 0.0000371600000000 ] - [ -0.0000191800000000, 0.0000060800000000, 0.0000000500000000 ] - [ -0.0000014600000000, 0.0001045200000000, -0.0000401700000000 ] - [ -0.0028783800000000, -0.0017416600000000, -0.0004682700000000 ] - [ -0.0005092100000000, 0.0016168100000000, -0.0008274600000000 ] - [ 0.0005398400000000, -0.0000510700000000, -0.0000151300000000 ] - [ 0.0004590100000000, -0.0000402700000000, 0.0000054700000000 ] - [ 0.0005415000000000, -0.0000541700000000, -0.0001018700000000 ] - [ -0.0005206400000000, 0.0000407400000000, 0.0002338200000000 ] - [ -0.0005335300000000, -0.0000377100000000, -0.0000794900000000 ] - [ -0.0005217400000000, 0.0000599000000000, -0.0000379000000000 ] - [ 0.0003918500000000, 0.0000201700000000, 0.0000810400000000 ] - [ -0.0055790000000000, -0.0056379400000000, 0.0057793700000000 ] - [ -0.0000554300000000, -0.0000285800000000, -0.0000048600000000 ] - [ -0.0000833300000000, 0.0000241100000000, 0.0009543700000000 ] - [ 0.0000495000000000, -0.0000242200000000, -0.0008631300000000 ] - [ 0.0000466800000000, -0.0001056300000000, 0.0000461700000000 ] - [ 0.0059855000000000, -0.0055704400000000, 0.0065395000000000 ] - [ -0.0000668300000000, -0.0001316300000000, -0.0007734000000000 ] - [ 0.0000969900000000, 0.0000236100000000, 0.0000960900000000 ] - [ -0.0002371400000000, 0.0005560800000000, -0.0003295300000000 ] - [ 0.0004465000000000, 0.0004728900000000, -0.0001874900000000 ] - [ -0.0001243900000000, 0.0006163900000000, -0.0000901300000000 ] - [ 0.0001265800000000, 0.0006453600000000, 0.0000497700000000 ] - [ 0.0002373100000000, 0.0002399700000000, -0.0000046900000000 ] - [ 0.0005608900000000, 0.0000766500000000, -0.0003216800000000 ] - [ -0.0003684900000000, 0.0001221800000000, 0.0005243400000000 ] - [ -0.0000498600000000, 0.0006178300000000, -0.0000362200000000 ] - [ 0.0002195900000000, -0.0000600400000000, 0.0000729200000000 ] - [ -0.0002895700000000, -0.0011156400000000, -0.0006739800000000 ] - [ -0.0005518000000000, -0.0111947000000000, -0.0025397700000000 ] - [ -0.0000400300000000, -0.0006375300000000, 0.0001035600000000 ] - [ -0.0000362300000000, -0.0006797600000000, 0.0005687200000000 ] - [ 0.0002879200000000, 0.0001185900000000, 0.0002615600000000 ] - [ -0.0003866100000000, -0.0000637300000000, -0.0003510400000000 ] - [ -0.0003956800000000, 0.0000658100000000, -0.0001867300000000 ] - [ 0.0001139000000000, 0.0003294800000000, -0.0001983800000000 ] - [ -0.0000371900000000, 0.0017849700000000, 0.0034914500000000 ] - [ 0.0004868100000000, 0.2007114100000000, -0.2231099900000000 ] - [ 0.0000434000000000, 0.0000828300000000, 0.0002289400000000 ] - [ 0.0000413900000000, 0.0000880400000000, -0.0002443600000000 ] - [ 0.0000425300000000, 0.0000641700000000, -0.0002153000000000 ] - [ -0.0001181700000000, -0.0000395600000000, 0.0001175100000000 ] - [ 0.0001008800000000, -0.0001491300000000, -0.0000139100000000 ] - [ -0.0000502500000000, -0.0000855500000000, 0.0002501500000000 ] - [ 0.0000974000000000, 0.0001153200000000, -0.0000722800000000 ] - [ -0.0000133300000000, 0.0000375600000000, -0.0001751100000000 ] - [ -0.0001904000000000, 0.0001651400000000, -0.0000311600000000 ] - [ -0.0000170100000000, -0.0000864400000000, -0.0002493800000000 ] - [ -0.0000619700000000, 0.0001873000000000, 0.0000084100000000 ] - [ -0.0000217700000000, 0.0000458500000000, 0.0002561300000000 ] - [ 0.0000416900000000, -0.0000753300000000, -0.0002333400000000 ] - [ -0.0007749400000000, 0.0002233500000000, 0.0000060800000000 ] - [ 0.0000612200000000, -0.0001012900000000, 0.0002763700000000 ] - [ -0.0004802100000000, 0.0007402600000000, 0.0003811800000000 ] - [ 0.0000070500000000, -0.0000315300000000, -0.0002717500000000 ] - [ -0.0010704200000000, -0.0010315400000000, -0.0008567000000000 ] - [ 0.0004898300000000, 0.0008712300000000, -0.0001114900000000 ] - [ 0.0000110500000000, 0.0004003700000000, 0.0002362600000000 ] - [ -0.0002992600000000, -0.0000400100000000, 0.0001226700000000 ] - [ -0.0000829900000000, 0.0033313400000000, 0.0007422100000000 ] - [ -0.0000835200000000, -0.0004832500000000, 0.0001802000000000 ] - [ -0.0000734700000000, -0.0004760600000000, -0.0004120200000000 ] - [ -0.0001633300000000, 0.0000688500000000, 0.0002275400000000 ] - [ 0.0000357300000000, -0.0007666400000000, 0.0001146600000000 ] - [ -0.0000835600000000, 0.0004847300000000, 0.0001177500000000 ] - [ -0.0002614000000000, 0.0000602100000000, -0.0002641100000000 ] - [ 0.0025526600000000, -0.0018329800000000, 0.0007694900000000 ] - [ 0.0001839100000000, 0.0024332000000000, -0.0004734600000000 ] - [ -0.0003018000000000, -0.0000196200000000, -0.0001912400000000 ] - [ -0.0000006500000000, 0.0001120000000000, 0.0001435100000000 ] - [ 0.0002420600000000, -0.0009131500000000, -0.0000440700000000 ] - [ 0.0003159300000000, 0.0002708100000000, 0.0003621100000000 ] - [ -0.0002912500000000, 0.0002628700000000, 0.0004672000000000 ] - [ 0.0000017600000000, -0.0003991400000000, 0.0002789100000000 ] - [ 0.0004534100000000, -0.0007615900000000, 0.0003877600000000 ] - [ 0.0000114100000000, -0.0000259200000000, 0.0002384100000000 ] - [ -0.0001373600000000, -0.0003146000000000, 0.0001772400000000 ] - [ -0.0004308200000000, 0.0004272800000000, 0.0009144000000000 ] - [ 0.0000485300000000, 0.0000356100000000, -0.0002514500000000 ] - [ 0.0001466700000000, -0.0007895400000000, 0.0000561900000000 ] - [ 0.0004521800000000, 0.0002521400000000, 0.0000911000000000 ] - [ -0.0005520400000000, -0.0002629100000000, 0.0000666400000000 ] - [ 0.0000926900000000, 0.0003941200000000, -0.0002939000000000 ] - [ -0.0000768900000000, -0.1907350000000000, 0.2147166500000000 ] - [ -0.0004760600000000, -0.0007623700000000, 0.0004097900000000 ] - [ 0.0000324000000000, 0.0004496000000000, 0.0003248700000000 ] - [ -0.0000572200000000, -0.0001358100000000, -0.0002835700000000 ] - [ -0.0000704500000000, 0.0004954500000000, -0.0003005300000000 ] - [ -0.0000386700000000, 0.0008069600000000, 0.0008888300000000 ] - [ -0.0004774300000000, 0.0007024600000000, -0.0004830500000000 ] - [ 0.0005962600000000, 0.0004591300000000, -0.0003149600000000 ] - [ -0.0005706300000000, 0.0001507200000000, 0.0008556200000000 ] - [ -0.0001598400000000, 0.0086216700000000, -0.0023812200000000 ] - [ 0.0004333900000000, 0.0002293100000000, -0.0001562200000000 ] - [ -0.0000292700000000, -0.0020218800000000, -0.0005105600000000 ] - [ 0.0000085800000000, -0.0006352600000000, 0.0001535200000000 ] - [ -0.0000961700000000, -0.0006817900000000, -0.0001057400000000 ] - [ 0.0000188300000000, 0.0000597400000000, 0.0002120000000000 ] - [ -0.0001920400000000, 0.0000321900000000, 0.0000683300000000 ] - [ -0.0000124500000000, -0.0000954100000000, -0.0002469600000000 ] - [ -0.0002488600000000, -0.0002560400000000, -0.0000932400000000 ] - [ -0.0000551600000000, 0.0000600100000000, -0.0002960500000000 ] - [ 0.0001120500000000, 0.0004191600000000, -0.0001974100000000 ] - [ 0.0005344800000000, -0.0004772600000000, -0.0004665100000000 ] - [ 0.0004247700000000, -0.0000605700000000, -0.0003052600000000 ] - [ 0.0000219100000000, 0.0004594100000000, -0.0003863500000000 ] - [ -0.0000527500000000, 0.0004222400000000, 0.0003008000000000 ] - [ -0.0019723300000000, -0.0020252500000000, 0.0012435500000000 ] - [ 0.0001423400000000, 0.0004910200000000, 0.0004490400000000 ] - [ -0.0000698700000000, 0.0000366000000000, 0.0002247600000000 ] - [ 0.0002359900000000, 0.0000372800000000, -0.0002157900000000 ] - [ -0.0003908100000000, -0.0002424500000000, -0.0000485000000000 ] - [ 0.0004573700000000, -0.0004694200000000, 0.0003177100000000 ] - [ 0.0003961700000000, 0.0040483100000000, 0.0009407100000000 ] - [ 0.0001976700000000, 0.0003225300000000, -0.0001039200000000 ] - [ -0.0001353300000000, 0.0003185200000000, -0.0003523300000000 ] - [ 0.0004243100000000, -0.0002123500000000, 0.0000157500000000 ] - [ 0.0003478100000000, 0.0000175000000000, 0.0002089400000000 ] - [ 0.0001957500000000, -0.0005010100000000, -0.0005038100000000 ] - [ 0.0000140100000000, 0.0001388700000000, -0.0002895300000000 ] - [ 0.0001983700000000, 0.0002188300000000, -0.0001577200000000 ] - [ 0.0005380600000000, -0.0007489000000000, -0.0003855900000000 ] - [ 0.0001976000000000, -0.0003359500000000, -0.0002242000000000 ]- atom: 51 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0000673600000000, 0.0001284000000000, 0.0002745400000000 ] - [ 0.0000521000000000, -0.0000068700000000, -0.0001893500000000 ] - [ -0.0008934700000000, 0.0006519800000000, 0.0003562000000000 ] - [ 0.0001279900000000, -0.0000428400000000, 0.0003185800000000 ] - [ 0.0000709900000000, -0.0001620200000000, 0.0000880900000000 ] - [ -0.0000828400000000, -0.0000357600000000, 0.0001446400000000 ] - [ 0.0010402700000000, 0.0005008900000000, 0.0005918800000000 ] - [ -0.0017150400000000, 0.0017630000000000, -0.0007840600000000 ] - [ -0.0001041600000000, -0.0000390800000000, 0.0007590900000000 ] - [ -0.0000649900000000, 0.0000122300000000, -0.0005997400000000 ] - [ 0.0000388900000000, 0.0000031100000000, -0.0003104400000000 ] - [ 0.0000807100000000, 0.0000192100000000, 0.0000319300000000 ] - [ 0.0000625400000000, 0.0000105000000000, 0.0002316500000000 ] - [ -0.0000330200000000, -0.0000012200000000, 0.0001214600000000 ] - [ -0.0000793500000000, 0.0001505200000000, -0.0000373900000000 ] - [ 0.0015070400000000, 0.0015545800000000, -0.0008789600000000 ] - [ -0.0005482600000000, -0.0015098000000000, 0.0040521500000000 ] - [ 0.0005205800000000, -0.0000597700000000, 0.0001878500000000 ] - [ 0.0002901000000000, -0.0000600600000000, 0.0001398100000000 ] - [ 0.0005903400000000, 0.0000558600000000, -0.0002721400000000 ] - [ -0.0005142200000000, -0.0000696300000000, 0.0003331700000000 ] - [ -0.0005269700000000, -0.0000679200000000, -0.0001364800000000 ] - [ -0.0005202500000000, 0.0000633900000000, 0.0000341400000000 ] - [ 0.0007537200000000, 0.0000887600000000, 0.0000594800000000 ] - [ -0.0036856200000000, -0.0030399400000000, -0.0012076900000000 ] - [ -0.0001086000000000, 0.0000055200000000, 0.0003248100000000 ] - [ -0.0002343500000000, 0.0002565700000000, 0.0018033100000000 ] - [ 0.0001201800000000, -0.0000046300000000, -0.0005229600000000 ] - [ 0.0001085200000000, 0.0000300000000000, -0.0005438600000000 ] - [ 0.0037747800000000, -0.0029135400000000, -0.0006985300000000 ] - [ -0.0001567200000000, -0.0000005200000000, -0.0014167900000000 ] - [ 0.0002743900000000, 0.0002396700000000, 0.0009511800000000 ] - [ 0.0011065600000000, -0.0011780700000000, -0.0001623100000000 ] - [ -0.0008453500000000, -0.0003807600000000, 0.0003544700000000 ] - [ -0.0004108000000000, 0.0006035900000000, 0.0000631700000000 ] - [ 0.0000236900000000, 0.0006585900000000, 0.0006370000000000 ] - [ -0.0012743200000000, 0.0004033500000000, 0.0003716500000000 ] - [ 0.0008118900000000, 0.0000046000000000, -0.0001127600000000 ] - [ -0.0003636300000000, -0.0001733400000000, 0.0014030300000000 ] - [ -0.0000362300000000, 0.0006009600000000, -0.0001897700000000 ] - [ 0.0016464400000000, -0.0001645700000000, 0.0004116800000000 ] - [ -0.0001638200000000, 0.0026810900000000, 0.0010219200000000 ] - [ -0.0003401600000000, -0.0022976100000000, -0.0024108300000000 ] - [ -0.0000536700000000, -0.0006511100000000, 0.0003318000000000 ] - [ -0.0000346200000000, -0.0000412900000000, 0.0040295500000000 ] - [ 0.0003925200000000, 0.0001628900000000, 0.0008070900000000 ] - [ -0.0003931400000000, -0.0000886700000000, -0.0002121700000000 ] - [ -0.0003806400000000, 0.0000957900000000, -0.0002125400000000 ] - [ 0.0000704400000000, -0.0003334500000000, 0.0006672500000000 ] - [ 0.0000803000000000, -0.0025352200000000, 0.0013000900000000 ] - [ 0.0003471700000000, 0.2249935800000000, -0.2792876000000000 ] - [ 0.0000436200000000, 0.0000754100000000, 0.0003885800000000 ] - [ 0.0000433400000000, 0.0000899200000000, -0.0002182900000000 ] - [ -0.0001567200000000, 0.0000619000000000, -0.0002728400000000 ] - [ -0.0000883000000000, 0.0001315500000000, 0.0003597500000000 ] - [ 0.0000993400000000, -0.0001720700000000, 0.0000200100000000 ] - [ -0.0000419900000000, -0.0000961800000000, 0.0003210800000000 ] - [ 0.0000988300000000, 0.0001020000000000, -0.0000807700000000 ] - [ 0.0000123000000000, -0.0001443400000000, -0.0000373200000000 ] - [ -0.0001706800000000, 0.0001789300000000, -0.0000642100000000 ] - [ 0.0000567500000000, -0.0000948300000000, -0.0001879600000000 ] - [ -0.0001554600000000, 0.0003793800000000, 0.0002386600000000 ] - [ -0.0000801400000000, 0.0001012000000000, 0.0001360400000000 ] - [ 0.0000359400000000, -0.0000790700000000, -0.0002746700000000 ] - [ 0.0000230700000000, 0.0001150100000000, 0.0002081200000000 ] - [ 0.0002048600000000, -0.0000380800000000, 0.0001395300000000 ] - [ -0.0004784900000000, 0.0007237800000000, 0.0002871700000000 ] - [ 0.0000121600000000, -0.0000606600000000, -0.0005952900000000 ] - [ -0.0013650700000000, -0.0003412700000000, -0.0010240000000000 ] - [ -0.0006163300000000, 0.0003107300000000, -0.0008493600000000 ] - [ -0.0000717700000000, 0.0005076600000000, 0.0000849200000000 ] - [ -0.0004718500000000, 0.0001004400000000, -0.0003494600000000 ] - [ 0.0001444900000000, 0.0013068900000000, 0.0021349200000000 ] - [ -0.0000838400000000, -0.0004576400000000, 0.0001417500000000 ] - [ -0.0000667400000000, -0.0004679000000000, -0.0005438400000000 ] - [ -0.0005360900000000, 0.0002626100000000, 0.0004754500000000 ] - [ 0.0004506400000000, -0.0008049500000000, -0.0000476500000000 ] - [ -0.0000882700000000, 0.0004863500000000, 0.0001288200000000 ] - [ -0.0002234000000000, 0.0000440800000000, -0.0001760700000000 ] - [ 0.0005612300000000, 0.0000577300000000, 0.0019705400000000 ] - [ 0.0001894600000000, -0.0003166000000000, 0.0004706100000000 ] - [ -0.0003112400000000, -0.0000337500000000, -0.0002972000000000 ] - [ 0.0002454500000000, 0.0000111500000000, 0.0006286300000000 ] - [ 0.0002394600000000, -0.0003583400000000, 0.0001000500000000 ] - [ 0.0003963200000000, 0.0010262900000000, 0.0007678000000000 ] - [ 0.0000605000000000, 0.0003431600000000, 0.0005187800000000 ] - [ -0.0000068200000000, -0.0003702600000000, 0.0001364800000000 ] - [ 0.0004662800000000, -0.0007121000000000, 0.0001683800000000 ] - [ 0.0000072700000000, -0.0000347200000000, 0.0001276800000000 ] - [ -0.0002848800000000, -0.0002865100000000, -0.0001655300000000 ] - [ -0.0005036100000000, -0.0032311800000000, -0.0016853500000000 ] - [ 0.0001374900000000, 0.0000010800000000, -0.0004561100000000 ] - [ -0.0002001300000000, -0.0004987300000000, -0.0000407200000000 ] - [ 0.0004709300000000, 0.0002368200000000, -0.0000186900000000 ] - [ -0.0006691100000000, -0.0002809100000000, -0.0001084300000000 ] - [ 0.0002420200000000, 0.0003197700000000, -0.0004624300000000 ] - [ -0.0002295700000000, -0.2232132200000000, 0.2730542700000000 ] - [ -0.0004790100000000, -0.0007483300000000, 0.0005039500000000 ] - [ 0.0000424000000000, 0.0004341600000000, 0.0004617200000000 ] - [ -0.0000803300000000, -0.0002018200000000, -0.0005961500000000 ] - [ -0.0000743200000000, 0.0004961800000000, -0.0002207500000000 ] - [ -0.0000621500000000, 0.0002239000000000, -0.0007934900000000 ] - [ -0.0004884700000000, 0.0013586600000000, -0.0016092400000000 ] - [ 0.0000524300000000, 0.0005725200000000, -0.0003730500000000 ] - [ 0.0005404300000000, -0.0004845300000000, -0.0003781100000000 ] - [ -0.0001640000000000, 0.0037372800000000, 0.0018417200000000 ] - [ 0.0005825500000000, 0.0003747900000000, -0.0006276500000000 ] - [ 0.0000052700000000, -0.0000347600000000, -0.0031035000000000 ] - [ -0.0001583100000000, -0.0007028200000000, -0.0001708000000000 ] - [ -0.0000765100000000, -0.0002608500000000, -0.0007230400000000 ] - [ 0.0000216400000000, 0.0000362100000000, 0.0004250000000000 ] - [ -0.0006313900000000, -0.0004130300000000, -0.0008253900000000 ] - [ -0.0000355700000000, -0.0001030800000000, -0.0001194800000000 ] - [ -0.0003693000000000, -0.0003739200000000, -0.0001663600000000 ] - [ -0.0001460900000000, -0.0001109200000000, 0.0001693500000000 ] - [ 0.0000780200000000, 0.0003484800000000, -0.0004495300000000 ] - [ 0.0012085400000000, 0.0003234800000000, -0.0008530500000000 ] - [ 0.0008655000000000, 0.0000758800000000, 0.0000084400000000 ] - [ 0.0001478900000000, 0.0003758200000000, -0.0008010200000000 ] - [ 0.0000449000000000, 0.0003446300000000, 0.0000838300000000 ] - [ -0.0004382500000000, -0.0002522700000000, 0.0024451900000000 ] - [ 0.0002210500000000, 0.0004425200000000, 0.0003935100000000 ] - [ -0.0001843000000000, 0.0000254100000000, 0.0000184300000000 ] - [ 0.0000770600000000, 0.0001142700000000, -0.0003904300000000 ] - [ -0.0005095400000000, -0.0003246600000000, -0.0002878000000000 ] - [ -0.0004306400000000, -0.0004966200000000, 0.0005038700000000 ] - [ 0.0000547600000000, 0.0016100300000000, 0.0026597300000000 ] - [ 0.0002005300000000, 0.0003388900000000, -0.0001789600000000 ] - [ 0.0001159400000000, 0.0003182500000000, -0.0007316100000000 ] - [ 0.0003699400000000, -0.0002401800000000, 0.0001082600000000 ] - [ 0.0003903400000000, -0.0000605300000000, -0.0001131900000000 ] - [ 0.0006290100000000, -0.0009324600000000, -0.0013809300000000 ] - [ 0.0000420200000000, 0.0001691900000000, -0.0004213700000000 ] - [ 0.0001923600000000, 0.0003265300000000, -0.0006316500000000 ] - [ 0.0006497300000000, -0.0007332600000000, -0.0005019600000000 ] - [ 0.0001939600000000, -0.0003345500000000, -0.0002425900000000 ]- atom: 51 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000680800000000, 0.0001360100000000, -0.0002772000000000 ] - [ -0.0000526200000000, 0.0000069700000000, 0.0001886500000000 ] - [ 0.0008992300000000, -0.0006600500000000, -0.0004764400000000 ] - [ -0.0001303800000000, 0.0000436900000000, -0.0003202000000000 ] - [ -0.0000707200000000, -0.0001033200000000, -0.0000885700000000 ] - [ 0.0000834200000000, 0.0000360400000000, -0.0000190200000000 ] - [ -0.0010495700000000, -0.0007744100000000, -0.0005878300000000 ] - [ 0.0017124500000000, -0.0017624400000000, 0.0007670300000000 ] - [ 0.0001067100000000, 0.0000399500000000, 0.0000904600000000 ] - [ 0.0000652500000000, -0.0000120000000000, -0.0002527600000000 ] - [ -0.0000397600000000, -0.0000031800000000, -0.0005409000000000 ] - [ -0.0000795900000000, -0.0000186900000000, 0.0000956100000000 ] - [ -0.0000638900000000, -0.0000117800000000, -0.0003603900000000 ] - [ 0.0000336100000000, 0.0000012300000000, -0.0001213900000000 ] - [ 0.0000791400000000, 0.0001148600000000, 0.0000385200000000 ] - [ -0.0015117000000000, -0.0015616100000000, 0.0017133400000000 ] - [ -0.0004944700000000, 0.0013797500000000, -0.0038646700000000 ] - [ 0.0005200700000000, -0.0000589300000000, -0.0002932500000000 ] - [ 0.0007540000000000, -0.0000572800000000, -0.0000328300000000 ] - [ 0.0004539700000000, 0.0000625800000000, 0.0001691500000000 ] - [ -0.0005275100000000, 0.0001911300000000, -0.0002267100000000 ] - [ -0.0005141500000000, -0.0000502800000000, 0.0000321400000000 ] - [ -0.0005210800000000, 0.0000542200000000, -0.0001397100000000 ] - [ 0.0002861200000000, 0.0000301200000000, 0.0000439800000000 ] - [ 0.0038146400000000, 0.0030901200000000, 0.0011295100000000 ] - [ 0.0001105400000000, -0.0000055800000000, -0.0003242400000000 ] - [ 0.0002381400000000, -0.0002611500000000, -0.0000969600000000 ] - [ -0.0001215800000000, 0.0000043300000000, -0.0011881300000000 ] - [ -0.0001110500000000, -0.0000309000000000, 0.0005411400000000 ] - [ -0.0039106200000000, 0.0029654000000000, 0.0023332800000000 ] - [ 0.0001597700000000, 0.0000000200000000, -0.0002980000000000 ] - [ -0.0002791700000000, -0.0002442700000000, -0.0009564500000000 ] - [ -0.0010230900000000, -0.0000994900000000, 0.0002498500000000 ] - [ 0.0016071200000000, 0.0002300300000000, 0.0001625400000000 ] - [ 0.0004903000000000, 0.0006707400000000, -0.0001386700000000 ] - [ 0.0000487000000000, 0.0006150500000000, -0.0005593100000000 ] - [ 0.0020345000000000, -0.0005482400000000, -0.0008825800000000 ] - [ -0.0000499000000000, 0.0001457500000000, -0.0003925500000000 ] - [ -0.0004030900000000, 0.0000239700000000, -0.0008956300000000 ] - [ -0.0000372100000000, 0.0006730400000000, 0.0002723800000000 ] - [ -0.0015662700000000, -0.0011034800000000, -0.0004939800000000 ] - [ 0.0000893300000000, -0.0013655000000000, -0.0011136900000000 ] - [ -0.0004225400000000, 0.0024942300000000, 0.0029605000000000 ] - [ -0.0000209200000000, -0.0006223200000000, -0.0002511400000000 ] - [ -0.0000404600000000, -0.0012464700000000, -0.0041678200000000 ] - [ 0.0003751400000000, -0.0000123500000000, -0.0002985700000000 ] - [ -0.0003722400000000, -0.0000612500000000, -0.0002958500000000 ] - [ -0.0003851100000000, 0.0000551100000000, -0.0002999900000000 ] - [ 0.0001296400000000, 0.0006076100000000, -0.0005873400000000 ] - [ 0.0001192200000000, 0.0023120700000000, -0.0012161200000000 ] - [ -0.0002306100000000, -0.2103412800000000, 0.2689195500000000 ] - [ 0.0000413300000000, 0.0000961500000000, 0.0000906500000000 ] - [ 0.0000417000000000, 0.0000810800000000, -0.0002614100000000 ] - [ 0.0000724300000000, 0.0001095200000000, -0.0002077600000000 ] - [ -0.0001114600000000, -0.0004036000000000, -0.0002785600000000 ] - [ 0.0001005500000000, -0.0000988100000000, -0.0001026500000000 ] - [ -0.0000426500000000, -0.0000748300000000, 0.0001586600000000 ] - [ 0.0001011400000000, 0.0001703500000000, 0.0000000600000000 ] - [ -0.0002138300000000, -0.0001302900000000, -0.0000407800000000 ] - [ -0.0000288100000000, 0.0000900600000000, 0.0001503000000000 ] - [ -0.0001430000000000, -0.0000761700000000, -0.0002918100000000 ] - [ -0.0000443000000000, -0.0001082500000000, -0.0003215600000000 ] - [ -0.0000066500000000, 0.0000705500000000, 0.0003440200000000 ] - [ 0.0000490800000000, -0.0000921500000000, -0.0002056900000000 ] - [ -0.0008734700000000, 0.0003660100000000, -0.0003099300000000 ] - [ -0.0001983400000000, -0.0002163500000000, 0.0003985300000000 ] - [ -0.0004823800000000, 0.0007735000000000, 0.0005045500000000 ] - [ 0.0000054800000000, -0.0000063300000000, 0.0001241300000000 ] - [ 0.0013305100000000, -0.0004677700000000, 0.0004239600000000 ] - [ 0.0006503700000000, 0.0004824500000000, 0.0002617400000000 ] - [ 0.0002466800000000, 0.0004582400000000, 0.0002039800000000 ] - [ -0.0000892300000000, -0.0001644200000000, 0.0008072000000000 ] - [ 0.0007141600000000, -0.0018087200000000, -0.0022435100000000 ] - [ -0.0000895000000000, -0.0005080300000000, 0.0001494300000000 ] - [ -0.0000814300000000, -0.0004965000000000, -0.0001741900000000 ] - [ 0.0005416500000000, -0.0000081600000000, 0.0000661900000000 ] - [ -0.0002776300000000, -0.0001610600000000, 0.0003415400000000 ] - [ -0.0000850500000000, 0.0004777400000000, 0.0001642700000000 ] - [ -0.0003395600000000, 0.0000190700000000, -0.0002774100000000 ] - [ -0.0005847200000000, 0.0002064700000000, -0.0025317800000000 ] - [ 0.0001990800000000, -0.0003481500000000, -0.0001300300000000 ] - [ -0.0002496400000000, -0.0000301900000000, -0.0001590600000000 ] - [ -0.0002670200000000, -0.0000780500000000, -0.0001531600000000 ] - [ -0.0000635600000000, -0.0006028700000000, -0.0003963200000000 ] - [ 0.0005603900000000, 0.0004750200000000, 0.0000228900000000 ] - [ -0.0004486500000000, 0.0003241700000000, -0.0001713500000000 ] - [ 0.0000355100000000, -0.0004479400000000, 0.0004650400000000 ] - [ 0.0004947000000000, -0.0007866300000000, 0.0006247700000000 ] - [ 0.0000095200000000, -0.0000332500000000, 0.0003450700000000 ] - [ -0.0001027500000000, -0.0003801600000000, 0.0005236200000000 ] - [ -0.0004572000000000, 0.0016937800000000, 0.0008811500000000 ] - [ -0.0001570600000000, 0.0000670800000000, -0.0000165700000000 ] - [ 0.0003482000000000, -0.0004615700000000, -0.0006878200000000 ] - [ 0.0003842100000000, 0.0002434600000000, 0.0001200400000000 ] - [ -0.0001839600000000, -0.0001984700000000, 0.0002088900000000 ] - [ -0.0002745200000000, 0.0005003400000000, -0.0001411700000000 ] - [ 0.0002292200000000, 0.2083896300000000, -0.2625591900000000 ] - [ -0.0004818700000000, -0.0007498400000000, 0.0002880400000000 ] - [ -0.0000148500000000, 0.0003839100000000, 0.0001399200000000 ] - [ 0.0000897200000000, -0.0000515200000000, 0.0000584200000000 ] - [ -0.0000736600000000, 0.0004672200000000, -0.0004995900000000 ] - [ -0.0000852400000000, 0.0007323100000000, 0.0015157400000000 ] - [ -0.0004712900000000, 0.0001297200000000, 0.0008332800000000 ] - [ 0.0009078800000000, 0.0009237300000000, -0.0004169900000000 ] - [ -0.0005522200000000, 0.0002012000000000, 0.0009325400000000 ] - [ -0.0000081700000000, -0.0028040900000000, -0.0021709300000000 ] - [ 0.0002749700000000, 0.0001060100000000, 0.0005277000000000 ] - [ -0.0001535100000000, -0.0009341500000000, 0.0038766000000000 ] - [ 0.0003061600000000, -0.0002611500000000, 0.0008913900000000 ] - [ -0.0000960800000000, -0.0007054200000000, 0.0004343500000000 ] - [ -0.0000051000000000, 0.0000317300000000, 0.0000496900000000 ] - [ 0.0006324100000000, 0.0006750800000000, 0.0013762500000000 ] - [ 0.0000285100000000, -0.0001513500000000, -0.0004199100000000 ] - [ -0.0000187000000000, -0.0002928700000000, -0.0001935500000000 ] - [ 0.0001342400000000, 0.0000437400000000, -0.0006404900000000 ] - [ 0.0000945600000000, 0.0006167600000000, 0.0001583300000000 ] - [ -0.0020565300000000, 0.0001672200000000, 0.0009552900000000 ] - [ -0.0003019800000000, -0.0001391200000000, -0.0004610200000000 ] - [ -0.0000006200000000, 0.0005885000000000, 0.0000840600000000 ] - [ -0.0000737300000000, 0.0004747700000000, 0.0005190700000000 ] - [ 0.0010255300000000, 0.0002000800000000, -0.0020089100000000 ] - [ -0.0000739000000000, 0.0005228100000000, 0.0003197900000000 ] - [ 0.0001697500000000, 0.0000428400000000, 0.0004553200000000 ] - [ 0.0004852200000000, -0.0000503300000000, -0.0000654900000000 ] - [ -0.0003475800000000, -0.0001562600000000, 0.0001851100000000 ] - [ 0.0003944600000000, -0.0003223700000000, 0.0000997100000000 ] - [ -0.0006191300000000, -0.0015727200000000, -0.0022112100000000 ] - [ 0.0001874500000000, 0.0003277200000000, -0.0001788700000000 ] - [ -0.0005039400000000, 0.0003475900000000, 0.0003763500000000 ] - [ 0.0004871500000000, -0.0002408700000000, -0.0000038400000000 ] - [ 0.0001702300000000, 0.0001242400000000, 0.0005696700000000 ] - [ -0.0006087300000000, 0.0001213100000000, 0.0007901900000000 ] - [ -0.0000503300000000, 0.0000848200000000, -0.0001180000000000 ] - [ 0.0001966300000000, 0.0003427100000000, 0.0009877000000000 ] - [ 0.0003087000000000, -0.0007660600000000, -0.0002912300000000 ] - [ 0.0001942400000000, -0.0003316300000000, -0.0001121400000000 ]- atom: 65 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0006561600000000, 0.0002078900000000, 0.0000461900000000 ] - [ 0.0049943300000000, -0.0017983200000000, -0.0007407500000000 ] - [ -0.0015108200000000, -0.0019479500000000, -0.0022572800000000 ] - [ -0.0006606300000000, 0.0001246400000000, -0.0001873100000000 ] - [ 0.0008146300000000, -0.0001318000000000, -0.0007251400000000 ] - [ -0.0004950400000000, 0.0000138900000000, -0.0006649100000000 ] - [ -0.0014097800000000, -0.0001208500000000, -0.0000507000000000 ] - [ -0.0014146900000000, -0.0000912400000000, 0.0003444900000000 ] - [ 0.0000060600000000, 0.0000345800000000, -0.0002108900000000 ] - [ -0.0016308100000000, -0.0003544200000000, -0.0011435400000000 ] - [ -0.0003187800000000, -0.0001234700000000, -0.0002152400000000 ] - [ -0.0012356700000000, 0.0001652400000000, 0.0009919000000000 ] - [ 0.0002426900000000, -0.0000038500000000, 0.0002195300000000 ] - [ 0.0009752900000000, -0.0001856800000000, -0.0002318700000000 ] - [ 0.0045887500000000, 0.0010409300000000, 0.0033818100000000 ] - [ -0.0009132200000000, 0.0019525300000000, 0.0029995500000000 ] - [ -0.0012191200000000, 0.0000645600000000, 0.0009105700000000 ] - [ 0.0000645100000000, -0.0000609800000000, -0.0002725900000000 ] - [ 0.0016719600000000, 0.0002490400000000, -0.0033578000000000 ] - [ -0.0012832800000000, 0.0000533500000000, 0.0001706900000000 ] - [ -0.0012100900000000, 0.0001205700000000, -0.0005547500000000 ] - [ -0.0076214000000000, -0.0016960900000000, 0.0029584700000000 ] - [ -0.0002781700000000, 0.0000424000000000, -0.0005678100000000 ] - [ 0.0019321800000000, 0.0000952100000000, 0.0007588500000000 ] - [ -0.0051794700000000, 0.0002702800000000, 0.0007691600000000 ] - [ 0.0023979600000000, 0.0010467300000000, -0.0008802700000000 ] - [ 0.0000762700000000, -0.0001646800000000, -0.0013165300000000 ] - [ -0.0006774100000000, 0.0006529900000000, -0.0003342400000000 ] - [ 0.0197893000000000, 0.0010500300000000, -0.0010005600000000 ] - [ -0.0026383900000000, -0.0089396300000000, 0.0126444400000000 ] - [ -0.0084236700000000, 0.0021188300000000, -0.0015761200000000 ] - [ -0.0017957900000000, -0.0006277200000000, -0.0006853200000000 ] - [ -0.0058559900000000, -0.0011589300000000, 0.0012258800000000 ] - [ 0.2025717100000000, -0.0545193000000000, 0.0887764800000000 ] - [ 0.0023146000000000, 0.0010638700000000, -0.0050572700000000 ] - [ -0.0012688100000000, 0.0005255000000000, -0.0006574700000000 ] - [ -0.0038080000000000, -0.0005405600000000, -0.0013122100000000 ] - [ -0.0018068400000000, -0.0000543100000000, 0.0004211800000000 ] - [ -0.0012391400000000, -0.0001137600000000, 0.0001895300000000 ] - [ -0.0045608800000000, -0.0015203900000000, 0.0060215000000000 ] - [ 0.0089330400000000, -0.0027293300000000, 0.0016658300000000 ] - [ -0.0016619600000000, 0.0008490300000000, 0.0013426500000000 ] - [ -0.0054627200000000, 0.0008305600000000, -0.0003843400000000 ] - [ 0.0006854000000000, -0.0003864700000000, -0.0017388300000000 ] - [ -0.0025795300000000, -0.0006065600000000, -0.0031118200000000 ] - [ 0.0017935700000000, 0.0000387800000000, -0.0005224800000000 ] - [ 0.0024459800000000, -0.0009674500000000, 0.0070937600000000 ] - [ 0.0004459200000000, 0.0000935100000000, -0.0032245900000000 ] - [ 0.0000450100000000, -0.0000511400000000, 0.0002810200000000 ] - [ -0.0007589400000000, -0.0000409900000000, -0.0005675100000000 ] - [ -0.0027939200000000, 0.0002646100000000, 0.0006833800000000 ] - [ -0.0000583800000000, 0.0001224600000000, 0.0001592100000000 ] - [ 0.0003234200000000, -0.0000406300000000, 0.0000029700000000 ] - [ -0.0005783500000000, 0.0000888600000000, -0.0002985700000000 ] - [ -0.0001417900000000, -0.0003814000000000, -0.0001712700000000 ] - [ 0.0000744200000000, 0.0007934400000000, -0.0014047600000000 ] - [ 0.0001647100000000, -0.0000801500000000, 0.0000871000000000 ] - [ 0.0004718000000000, 0.0014346100000000, 0.0019163300000000 ] - [ -0.0004042700000000, -0.0006116100000000, 0.0005197200000000 ] - [ 0.0012363000000000, 0.0071029100000000, -0.0077433200000000 ] - [ -0.0004522500000000, -0.0000610100000000, -0.0001961700000000 ] - [ -0.0002985700000000, -0.0001593000000000, -0.0004234000000000 ] - [ 0.0014341000000000, 0.0006081600000000, 0.0005181300000000 ] - [ 0.0003714000000000, -0.0010542000000000, -0.0018696400000000 ] - [ -0.2798008400000000, 0.0913587400000000, -0.1320523900000000 ] - [ -0.0026179000000000, -0.0012135800000000, 0.0019161300000000 ] - [ -0.0007336300000000, 0.0008515800000000, 0.0007865000000000 ] - [ 0.0006722000000000, 0.0000518600000000, 0.0002302300000000 ] - [ -0.0031898400000000, -0.0013039000000000, -0.0042641200000000 ] - [ 0.0006570100000000, 0.0009622400000000, -0.0016138800000000 ] - [ 0.0007759900000000, 0.0007474800000000, -0.0002611700000000 ] - [ -0.0000252200000000, -0.0001183300000000, 0.0007516400000000 ] - [ 0.0034074000000000, -0.0009269400000000, -0.0009315200000000 ] - [ -0.0007962200000000, -0.0004093900000000, -0.0020743500000000 ] - [ -0.0002066000000000, -0.0009840200000000, 0.0013786400000000 ] - [ -0.0087898200000000, 0.0020186100000000, 0.0046116800000000 ] - [ 0.0011760300000000, -0.0001583300000000, 0.0005265500000000 ] - [ -0.0002033000000000, 0.0006837200000000, 0.0017581200000000 ] - [ 0.0001691200000000, -0.0015496200000000, 0.0016034700000000 ] - [ 0.0033351600000000, -0.0008239500000000, 0.0001562400000000 ] - [ 0.0015291600000000, -0.0004136300000000, 0.0009107400000000 ] - [ 0.0006419100000000, -0.0004942900000000, -0.0025698600000000 ] - [ 0.0023728200000000, -0.0001661800000000, 0.0003106400000000 ] - [ 0.0025291500000000, -0.0195263300000000, 0.0100371900000000 ] - [ 0.0023790800000000, 0.0009557400000000, 0.0001753700000000 ] - [ 0.0018276500000000, -0.0022869900000000, 0.0168642900000000 ] - [ 0.0001398000000000, -0.0005656800000000, 0.0005351100000000 ] - [ 0.0009267500000000, -0.0007747100000000, 0.0005716800000000 ] - [ -0.0007232500000000, -0.0002043300000000, 0.0001932700000000 ] - [ -0.0009564100000000, -0.0004750700000000, 0.0005495900000000 ] - [ 0.0002309300000000, -0.0010794000000000, -0.0012095800000000 ] - [ -0.0009922900000000, 0.0000249300000000, 0.0005039100000000 ] - [ 0.0013926900000000, -0.0001823100000000, -0.0013137100000000 ] - [ -0.0027457000000000, -0.0004703200000000, -0.0014917100000000 ] - [ 0.0010113700000000, 0.0001169400000000, -0.0002686600000000 ] - [ 0.0001599900000000, 0.0002145500000000, 0.0014172700000000 ] - [ 0.0048387900000000, 0.0008837600000000, -0.0026601200000000 ] - [ 0.0033330200000000, 0.0033629400000000, -0.0008536000000000 ] - [ 0.0027922100000000, 0.0012227700000000, -0.0001659400000000 ] - [ 0.0009364000000000, 0.0002191800000000, 0.0000984200000000 ] - [ 0.0000658100000000, 0.0001900800000000, -0.0043867600000000 ] - [ 0.0002285800000000, 0.0004660500000000, -0.0004020400000000 ] - [ 0.0001746100000000, 0.0002887000000000, 0.0005328000000000 ] - [ -0.0018907700000000, 0.0013957600000000, -0.0017624600000000 ] - [ 0.0013639200000000, -0.0002360200000000, -0.0001052500000000 ] - [ 0.0018810700000000, -0.0002624800000000, 0.0001522500000000 ] - [ 0.0011777200000000, 0.0003577900000000, 0.0000408300000000 ] - [ 0.0015167900000000, -0.0005769900000000, 0.0025593700000000 ] - [ -0.0013677000000000, 0.0001960800000000, 0.0006444600000000 ] - [ 0.0001505900000000, -0.0003639900000000, -0.0001675000000000 ] - [ 0.0195122700000000, -0.0065363900000000, 0.0131876200000000 ] - [ 0.0017641600000000, 0.0009328300000000, 0.0013294700000000 ] - [ 0.0029919400000000, -0.0131034700000000, -0.0023693700000000 ] - [ 0.0009643500000000, -0.0003929500000000, -0.0006876100000000 ] - [ -0.0039362800000000, 0.0050835700000000, -0.0044309700000000 ] - [ -0.0002950700000000, 0.0005636200000000, 0.0002657200000000 ] - [ 0.0022500800000000, -0.0002377300000000, -0.0006764400000000 ] - [ 0.0041554100000000, 0.0010925700000000, 0.0017274800000000 ] - [ 0.0005807600000000, 0.0006309200000000, 0.0002311200000000 ] - [ 0.0005171900000000, 0.0002948700000000, 0.0004358800000000 ] - [ 0.0379765000000000, 0.0005392300000000, 0.0032565400000000 ] - [ -0.0010706500000000, -0.0032376400000000, 0.0065289800000000 ] - [ 0.0010417000000000, 0.0000455000000000, 0.0002560700000000 ] - [ 0.0011855500000000, -0.0001515300000000, -0.0003512000000000 ] - [ -0.0013291300000000, -0.0003127400000000, 0.0003260600000000 ] - [ 0.0044852800000000, 0.0007419000000000, -0.0009744700000000 ] - [ 0.0024336200000000, 0.0020260400000000, 0.0002206600000000 ] - [ 0.0020015000000000, 0.0012599800000000, -0.0086859000000000 ] - [ 0.0008025000000000, 0.0002939700000000, 0.0005237400000000 ] - [ -0.0012865800000000, -0.0013065200000000, 0.0017637800000000 ] - [ -0.0004197300000000, 0.0002860300000000, 0.0010194300000000 ] - [ 0.0010665200000000, -0.0003333700000000, 0.0012350400000000 ] - [ -0.0009532800000000, -0.0002923700000000, 0.0003406900000000 ] - [ 0.0005838100000000, 0.0003487800000000, 0.0000285200000000 ] - [ -0.0002565600000000, -0.0010889800000000, 0.0012881800000000 ] - [ -0.0000827100000000, 0.0000553600000000, 0.0015061600000000 ]- atom: 65 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0006559100000000, 0.0000576800000000, -0.0000470800000000 ] - [ -0.0049848000000000, 0.0018255600000000, 0.0007472500000000 ] - [ 0.0015067900000000, 0.0019589200000000, 0.0021506300000000 ] - [ 0.0006612100000000, -0.0001249000000000, 0.0001894200000000 ] - [ -0.0008101700000000, -0.0001375500000000, 0.0007366400000000 ] - [ 0.0004990200000000, -0.0000127400000000, 0.0007914200000000 ] - [ 0.0014138800000000, -0.0001437200000000, 0.0000531700000000 ] - [ 0.0014183500000000, 0.0000899200000000, -0.0003485400000000 ] - [ -0.0000079900000000, -0.0000348900000000, 0.0010666500000000 ] - [ 0.0016342200000000, 0.0003520900000000, 0.0002890100000000 ] - [ 0.0003194100000000, 0.0001233700000000, -0.0006353000000000 ] - [ 0.0012372400000000, -0.0001620900000000, -0.0008656400000000 ] - [ -0.0002494500000000, 0.0000021900000000, -0.0003437100000000 ] - [ -0.0009757800000000, 0.0001853400000000, 0.0002352600000000 ] - [ -0.0045785600000000, -0.0007896100000000, -0.0034177200000000 ] - [ 0.0009029100000000, -0.0019744500000000, -0.0021664200000000 ] - [ 0.0001736500000000, -0.0001836800000000, -0.0008137600000000 ] - [ 0.0009779600000000, -0.0000580000000000, 0.0001683100000000 ] - [ -0.0006300200000000, -0.0003660700000000, 0.0034631500000000 ] - [ 0.0023295800000000, 0.0000642300000000, -0.0002759500000000 ] - [ 0.0001684700000000, -0.0000021000000000, 0.0006634300000000 ] - [ 0.0068826300000000, 0.0016383800000000, -0.0031400200000000 ] - [ -0.0007621100000000, 0.0000754700000000, 0.0004663900000000 ] - [ -0.0008957300000000, 0.0000200600000000, -0.0006428000000000 ] - [ 0.0051994300000000, -0.0002636600000000, -0.0007788100000000 ] - [ -0.0023991300000000, -0.0010454500000000, 0.0008900200000000 ] - [ -0.0000813100000000, 0.0001672700000000, 0.0030384400000000 ] - [ 0.0006808600000000, -0.0006534300000000, -0.0013716300000000 ] - [ -0.0197298000000000, -0.0011912200000000, 0.0011616100000000 ] - [ 0.0025793400000000, 0.0090450000000000, -0.0110497000000000 ] - [ 0.0084435800000000, -0.0021115900000000, -0.0001406400000000 ] - [ 0.0017973300000000, 0.0006291700000000, 0.0006912300000000 ] - [ 0.0059404200000000, -0.0001200500000000, -0.0011447900000000 ] - [ -0.2116203600000000, 0.0591173000000000, -0.0955375000000000 ] - [ -0.0022462400000000, 0.0002108000000000, 0.0049819300000000 ] - [ 0.0013476100000000, 0.0007485900000000, 0.0007382300000000 ] - [ 0.0045828400000000, 0.0003903600000000, 0.0007957800000000 ] - [ 0.0025767300000000, 0.0002020400000000, -0.0009305000000000 ] - [ 0.0004690400000000, -0.0000353800000000, 0.0003248900000000 ] - [ 0.0045310100000000, 0.0027711800000000, -0.0059681100000000 ] - [ -0.0089867600000000, 0.0014937200000000, -0.0017100200000000 ] - [ 0.0015701700000000, 0.0004192100000000, -0.0014295600000000 ] - [ 0.0047091300000000, -0.0006885700000000, 0.0009000300000000 ] - [ -0.0007559800000000, -0.0008884800000000, 0.0018317700000000 ] - [ 0.0025034300000000, -0.0006653900000000, 0.0030551700000000 ] - [ -0.0010337500000000, 0.0001139700000000, 0.0010508900000000 ] - [ -0.0032092600000000, 0.0008157200000000, -0.0076038800000000 ] - [ -0.0011829500000000, 0.0000546200000000, 0.0027223500000000 ] - [ 0.0001541200000000, 0.0003228400000000, -0.0001990600000000 ] - [ 0.0009629400000000, -0.0002327400000000, 0.0006563300000000 ] - [ 0.0029087800000000, -0.0004375400000000, -0.0002131200000000 ] - [ 0.0001423900000000, 0.0000481300000000, 0.0003209700000000 ] - [ -0.0002387100000000, 0.0002112300000000, -0.0004821100000000 ] - [ 0.0004949200000000, 0.0000815900000000, -0.0001814300000000 ] - [ -0.0000557800000000, 0.0001202200000000, 0.0002654100000000 ] - [ 0.0001278000000000, -0.0010689300000000, 0.0013276700000000 ] - [ -0.0002505800000000, -0.0000909400000000, 0.0003945400000000 ] - [ -0.0002732000000000, -0.0011686000000000, -0.0020035400000000 ] - [ 0.0002045500000000, 0.0003379300000000, -0.0005998200000000 ] - [ -0.0014342800000000, -0.0068518900000000, 0.0078605500000000 ] - [ 0.0003676700000000, -0.0001098600000000, -0.0002828300000000 ] - [ 0.0000992300000000, 0.0004303000000000, 0.0003405200000000 ] - [ -0.0015273200000000, -0.0004537200000000, -0.0000514600000000 ] - [ -0.0002807300000000, 0.0008913900000000, 0.0013950200000000 ] - [ 0.2891990500000000, -0.0958716900000000, 0.1395889700000000 ] - [ 0.0026297300000000, 0.0009615900000000, -0.0013820100000000 ] - [ -0.0002288400000000, 0.0006439600000000, 0.0000025500000000 ] - [ -0.0006537300000000, -0.0001200700000000, -0.0007079200000000 ] - [ 0.0032053600000000, 0.0004906200000000, 0.0036891900000000 ] - [ -0.0006085200000000, -0.0001407700000000, 0.0010100100000000 ] - [ -0.0006049100000000, 0.0002197600000000, 0.0005509100000000 ] - [ -0.0005353600000000, 0.0000539600000000, -0.0002988500000000 ] - [ -0.0025569100000000, 0.0004487400000000, 0.0008326200000000 ] - [ 0.0006224200000000, -0.0005504300000000, 0.0023665500000000 ] - [ 0.0000533300000000, 0.0000217400000000, -0.0021063700000000 ] - [ 0.0088312100000000, -0.0017764800000000, -0.0042430900000000 ] - [ -0.0010066100000000, -0.0008061100000000, -0.0002329100000000 ] - [ 0.0000211200000000, 0.0002842000000000, -0.0014700700000000 ] - [ -0.0007461000000000, 0.0016068700000000, -0.0020544300000000 ] - [ -0.0033365500000000, 0.0010801500000000, -0.0006955900000000 ] - [ -0.0011429300000000, -0.0002523500000000, -0.0005576600000000 ] - [ -0.0012033100000000, 0.0004298000000000, 0.0021079600000000 ] - [ -0.0023970600000000, 0.0000971800000000, 0.0001665200000000 ] - [ -0.0023449300000000, 0.0188362700000000, -0.0104278000000000 ] - [ -0.0014230000000000, 0.0005447800000000, 0.0006189000000000 ] - [ -0.0021504100000000, 0.0029613300000000, -0.0166999200000000 ] - [ -0.0001171100000000, -0.0002509000000000, 0.0000629400000000 ] - [ 0.0000315700000000, -0.0007224500000000, 0.0002213100000000 ] - [ 0.0007385800000000, 0.0001358900000000, 0.0002788700000000 ] - [ 0.0005715900000000, -0.0001889300000000, -0.0002031400000000 ] - [ -0.0011875800000000, -0.0004133300000000, 0.0004225000000000 ] - [ 0.0009771100000000, 0.0000424400000000, -0.0009834400000000 ] - [ -0.0012469600000000, -0.0007799500000000, 0.0005938000000000 ] - [ 0.0036025400000000, 0.0009496500000000, 0.0015878400000000 ] - [ -0.0018726300000000, -0.0005967700000000, 0.0003685700000000 ] - [ -0.0001868800000000, 0.0006039500000000, -0.0020259300000000 ] - [ -0.0048587800000000, -0.0008300600000000, 0.0022171400000000 ] - [ -0.0042878400000000, -0.0048234600000000, 0.0016499700000000 ] - [ -0.0027810000000000, -0.0004025900000000, 0.0007714600000000 ] - [ -0.0009320700000000, -0.0004739800000000, -0.0006377100000000 ] - [ -0.0002199200000000, 0.0007803100000000, 0.0036801500000000 ] - [ -0.0003729600000000, 0.0004993200000000, 0.0011222200000000 ] - [ -0.0011345800000000, 0.0012115800000000, -0.0013331700000000 ] - [ 0.0028744300000000, 0.0000918500000000, 0.0009655000000000 ] - [ -0.0013659300000000, -0.0000225700000000, 0.0006498600000000 ] - [ -0.0020608900000000, 0.0012363500000000, -0.0004480400000000 ] - [ -0.0003177700000000, 0.0001229500000000, -0.0001449400000000 ] - [ -0.0016687700000000, -0.0003856500000000, -0.0018592400000000 ] - [ 0.0015346700000000, -0.0011703100000000, 0.0000483500000000 ] - [ -0.0003222000000000, -0.0006018600000000, -0.0001249500000000 ] - [ -0.0192526900000000, 0.0065163000000000, -0.0125188700000000 ] - [ -0.0017743600000000, -0.0006822600000000, -0.0007984500000000 ] - [ -0.0030862500000000, 0.0128351800000000, 0.0018455800000000 ] - [ -0.0013558800000000, -0.0002737700000000, 0.0003286700000000 ] - [ 0.0040248400000000, -0.0051074200000000, 0.0039394100000000 ] - [ 0.0004685600000000, 0.0003969100000000, -0.0005677700000000 ] - [ -0.0031171500000000, 0.0007204600000000, 0.0007849700000000 ] - [ -0.0035974700000000, -0.0011567300000000, -0.0021811400000000 ] - [ -0.0004356500000000, 0.0003334300000000, -0.0009494300000000 ] - [ -0.0005487700000000, 0.0005257600000000, 0.0001667600000000 ] - [ -0.0385293000000000, -0.0006166500000000, -0.0028677900000000 ] - [ 0.0012219400000000, 0.0042204900000000, -0.0058287100000000 ] - [ -0.0010613000000000, 0.0000226200000000, 0.0002169800000000 ] - [ -0.0006253800000000, 0.0002167600000000, -0.0001064200000000 ] - [ 0.0004692200000000, -0.0001694300000000, -0.0004348000000000 ] - [ -0.0045164900000000, -0.0015645400000000, 0.0015816500000000 ] - [ -0.0029954800000000, -0.0019816800000000, 0.0002429700000000 ] - [ -0.0016027300000000, -0.0005891600000000, 0.0083002100000000 ] - [ -0.0011940700000000, 0.0003722600000000, -0.0008784200000000 ] - [ 0.0021239200000000, 0.0008378800000000, -0.0016730500000000 ] - [ 0.0009902900000000, -0.0002255900000000, -0.0005714700000000 ] - [ -0.0010352400000000, -0.0004886600000000, -0.0018458300000000 ] - [ 0.0009456600000000, 0.0005468700000000, -0.0008847700000000 ] - [ -0.0001923900000000, 0.0003172200000000, 0.0003286000000000 ] - [ 0.0012181700000000, -0.0004076800000000, -0.0020851400000000 ] - [ 0.0004645200000000, -0.0007216500000000, -0.0018698800000000 ]- atom: 65 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000983300000000, 0.0001333800000000, 0.0000975100000000 ] - [ -0.0017993400000000, 0.0003973600000000, -0.0019970800000000 ] - [ 0.0003520800000000, -0.0000181400000000, -0.0002828200000000 ] - [ 0.0001729100000000, -0.0000273800000000, 0.0001269300000000 ] - [ -0.0000989500000000, -0.0001547400000000, 0.0005538600000000 ] - [ 0.0001536500000000, 0.0000186000000000, 0.0003386100000000 ] - [ 0.0003310300000000, -0.0001311600000000, -0.0000793700000000 ] - [ 0.0002701500000000, 0.0000318800000000, -0.0002035300000000 ] - [ 0.0001030700000000, 0.0000473500000000, 0.0008223200000000 ] - [ 0.0001222500000000, 0.0000545000000000, -0.0005318700000000 ] - [ 0.0000010800000000, -0.0000022200000000, -0.0003728500000000 ] - [ 0.0002383800000000, 0.0001349200000000, -0.0003101900000000 ] - [ -0.0001076300000000, 0.0000051400000000, 0.0001924900000000 ] - [ -0.0003042200000000, 0.0000777800000000, 0.0003235700000000 ] - [ -0.0005324400000000, -0.0005979500000000, -0.0040433500000000 ] - [ 0.0016249800000000, -0.0004457200000000, -0.0016065900000000 ] - [ -0.0005216300000000, -0.0000060600000000, -0.0000057100000000 ] - [ 0.0006051300000000, -0.0000621800000000, 0.0000906800000000 ] - [ 0.0003660600000000, -0.0000840600000000, 0.0008246700000000 ] - [ 0.0009830500000000, -0.0000140200000000, -0.0002093400000000 ] - [ -0.0001294300000000, 0.0000307300000000, 0.0002047100000000 ] - [ -0.0019463300000000, 0.0038378200000000, -0.0007859300000000 ] - [ -0.0005936000000000, 0.0000541000000000, 0.0002560600000000 ] - [ 0.0003471700000000, -0.0009570400000000, 0.0012292100000000 ] - [ 0.0007379800000000, -0.0001196100000000, -0.0004918600000000 ] - [ -0.0007257000000000, -0.0004350500000000, 0.0009770000000000 ] - [ 0.0002483100000000, -0.0002954100000000, 0.0021016200000000 ] - [ -0.0000477500000000, -0.0000188200000000, -0.0006579200000000 ] - [ -0.0016439300000000, 0.0272653700000000, -0.0140042500000000 ] - [ -0.0046823200000000, 0.0026292300000000, -0.0011797500000000 ] - [ 0.0025139900000000, -0.0004054800000000, -0.0008944500000000 ] - [ 0.0004821000000000, 0.0001378300000000, 0.0003663400000000 ] - [ 0.0010897900000000, -0.0003677100000000, -0.0004984900000000 ] - [ -0.0563582000000000, 0.0808720100000000, -0.0393912000000000 ] - [ -0.0005006700000000, 0.0009583200000000, 0.0052945400000000 ] - [ 0.0003021100000000, 0.0006741000000000, 0.0004812000000000 ] - [ 0.0012897900000000, 0.0001414800000000, 0.0001571300000000 ] - [ 0.0008353400000000, 0.0000661100000000, -0.0005235300000000 ] - [ -0.0001420300000000, -0.0001193900000000, 0.0007376500000000 ] - [ 0.0080571600000000, -0.0075634800000000, -0.0035141000000000 ] - [ -0.0029190100000000, 0.0039428200000000, -0.0007424000000000 ] - [ -0.0005592300000000, -0.0001534000000000, 0.0000650500000000 ] - [ 0.0010847000000000, -0.0008693700000000, -0.0004084200000000 ] - [ -0.0002305900000000, -0.0007101500000000, 0.0009321200000000 ] - [ 0.0009209500000000, -0.0005589000000000, 0.0005276400000000 ] - [ 0.0000731400000000, 0.0001128900000000, 0.0012946300000000 ] - [ -0.0014066100000000, -0.0001526600000000, -0.0005570400000000 ] - [ 0.0007250800000000, -0.0011749200000000, 0.0011173400000000 ] - [ 0.0001177000000000, -0.0000561400000000, 0.0002500200000000 ] - [ 0.0004273700000000, -0.0000503500000000, 0.0000533700000000 ] - [ 0.0001995200000000, -0.0000649800000000, 0.0001154600000000 ] - [ 0.0000745800000000, 0.0000878000000000, 0.0003234700000000 ] - [ -0.0001147400000000, 0.0001077200000000, -0.0002801200000000 ] - [ 0.0000716300000000, 0.0000574600000000, -0.0002394900000000 ] - [ -0.0000204000000000, 0.0003162300000000, 0.0004405400000000 ] - [ 0.0001216500000000, -0.0003112100000000, 0.0003422900000000 ] - [ -0.0000803700000000, -0.0000740800000000, 0.0003735600000000 ] - [ -0.0003402600000000, -0.0008677500000000, -0.0008659800000000 ] - [ -0.0000506700000000, 0.0000016000000000, -0.0002134200000000 ] - [ -0.0026265700000000, -0.0106712000000000, 0.0122226400000000 ] - [ 0.0000205800000000, -0.0000969400000000, -0.0002363400000000 ] - [ -0.0000658400000000, 0.0002576200000000, 0.0001337100000000 ] - [ -0.0010074800000000, -0.0034840000000000, -0.0013215000000000 ] - [ -0.0005709900000000, 0.0006346700000000, -0.0003166200000000 ] - [ 0.0932916300000000, -0.1446769400000000, 0.0895535200000000 ] - [ 0.0015053400000000, 0.0006940300000000, -0.0012882200000000 ] - [ -0.0003958700000000, 0.0006894400000000, 0.0001132600000000 ] - [ -0.0003139900000000, -0.0000104000000000, -0.0005113000000000 ] - [ 0.0008372300000000, -0.0012969600000000, -0.0002022400000000 ] - [ 0.0013734000000000, 0.0008415700000000, -0.0008405900000000 ] - [ -0.0000437800000000, 0.0004323800000000, 0.0002720600000000 ] - [ -0.0004668700000000, 0.0000702100000000, -0.0001593100000000 ] - [ -0.0002554900000000, 0.0001199400000000, 0.0004629100000000 ] - [ 0.0003464200000000, -0.0001000000000000, 0.0007094200000000 ] - [ -0.0000996800000000, -0.0004035000000000, -0.0010738200000000 ] - [ 0.0023235700000000, -0.0047219000000000, -0.0040457400000000 ] - [ -0.0001289900000000, -0.0006249200000000, 0.0000123300000000 ] - [ -0.0000737900000000, 0.0010827500000000, 0.0000191300000000 ] - [ -0.0007304300000000, 0.0005182400000000, -0.0006775000000000 ] - [ -0.0005331500000000, 0.0002138800000000, -0.0001654800000000 ] - [ -0.0002445800000000, -0.0002287700000000, 0.0004717900000000 ] - [ -0.0001197100000000, 0.0000048700000000, -0.0001838900000000 ] - [ -0.0005915900000000, -0.0000311400000000, 0.0002927100000000 ] - [ -0.0279460800000000, 0.0320854300000000, -0.0206962500000000 ] - [ 0.0001580500000000, 0.0007112800000000, 0.0005429600000000 ] - [ -0.0011337800000000, -0.0118355900000000, 0.0010199100000000 ] - [ -0.0000252600000000, -0.0003339000000000, 0.0000427000000000 ] - [ 0.0003953500000000, -0.0007187200000000, 0.0002572800000000 ] - [ 0.0003567900000000, -0.0000033600000000, 0.0000632800000000 ] - [ -0.0000180700000000, -0.0001417400000000, -0.0005787000000000 ] - [ -0.0005261300000000, -0.0004468600000000, -0.0001531900000000 ] - [ 0.0001665000000000, 0.0000915500000000, -0.0006551500000000 ] - [ -0.0001546600000000, -0.0005908500000000, 0.0000419500000000 ] - [ 0.0011309700000000, 0.0003780700000000, 0.0000938000000000 ] - [ -0.0007828200000000, -0.0003184700000000, 0.0001169200000000 ] - [ -0.0008372800000000, 0.0008902600000000, -0.0018913100000000 ] - [ -0.0002641900000000, 0.0000962400000000, 0.0001844500000000 ] - [ 0.0009766300000000, 0.0064615800000000, 0.0001711100000000 ] - [ -0.0018995600000000, 0.0016528900000000, 0.0006716500000000 ] - [ -0.0002365200000000, -0.0002385000000000, -0.0004787400000000 ] - [ -0.0007808000000000, 0.0021115000000000, 0.0018713200000000 ] - [ 0.0000100200000000, 0.0007263600000000, 0.0000359600000000 ] - [ -0.0007985900000000, 0.0007841700000000, -0.0006329100000000 ] - [ 0.0003856400000000, 0.0000579500000000, 0.0016994100000000 ] - [ 0.0001071600000000, -0.0000522700000000, 0.0003728600000000 ] - [ -0.0009152000000000, 0.0007560800000000, 0.0000795000000000 ] - [ 0.0003128700000000, 0.0002796100000000, -0.0002602300000000 ] - [ -0.0005133900000000, -0.0005347900000000, 0.0001164800000000 ] - [ 0.0007384600000000, -0.0014101100000000, -0.0004701400000000 ] - [ -0.0001526200000000, -0.0004015200000000, -0.0003946000000000 ] - [ -0.0059560900000000, -0.0011634800000000, -0.0031301300000000 ] - [ -0.0005347200000000, -0.0001125000000000, -0.0000096700000000 ] - [ -0.0129888200000000, 0.0198453800000000, 0.0029019600000000 ] - [ -0.0004655900000000, -0.0003019700000000, 0.0000609800000000 ] - [ 0.0108981300000000, 0.0112167100000000, -0.0076017300000000 ] - [ 0.0001481400000000, 0.0003085700000000, -0.0006709900000000 ] - [ -0.0009032800000000, 0.0002671700000000, 0.0001489600000000 ] - [ -0.0008046600000000, -0.0004069200000000, -0.0007561100000000 ] - [ -0.0000313400000000, 0.0004265500000000, -0.0006941500000000 ] - [ -0.0000781200000000, 0.0003896700000000, 0.0001243000000000 ] - [ 0.0024381300000000, -0.0114145600000000, 0.0015923100000000 ] - [ 0.0007188500000000, 0.0071315700000000, -0.0077821500000000 ] - [ -0.0001837900000000, 0.0000154100000000, 0.0001442600000000 ] - [ 0.0001548100000000, 0.0000399400000000, -0.0001836400000000 ] - [ -0.0003583400000000, -0.0003264000000000, -0.0006126600000000 ] - [ -0.0008977400000000, -0.0008568700000000, 0.0008649200000000 ] - [ -0.0002306600000000, 0.0007829300000000, 0.0014147100000000 ] - [ 0.0005201800000000, -0.0008946700000000, 0.0005103500000000 ] - [ -0.0004100200000000, 0.0003380800000000, -0.0004813300000000 ] - [ -0.0006387700000000, 0.0014152000000000, -0.0019252900000000 ] - [ 0.0005642600000000, -0.0001145900000000, -0.0004211400000000 ] - [ -0.0004572000000000, -0.0002977500000000, -0.0006930700000000 ] - [ 0.0002912200000000, 0.0002799600000000, -0.0006812400000000 ] - [ 0.0001550500000000, 0.0002736000000000, -0.0001046900000000 ] - [ 0.0005952600000000, -0.0011507300000000, -0.0015263200000000 ] - [ -0.0000139400000000, -0.0002845200000000, -0.0010202900000000 ]- atom: 65 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001001900000000, 0.0001317900000000, -0.0000981400000000 ] - [ 0.0018433400000000, -0.0001754900000000, 0.0021217300000000 ] - [ -0.0003642700000000, -0.0000084700000000, 0.0001521500000000 ] - [ -0.0001755200000000, 0.0000283100000000, -0.0001282500000000 ] - [ 0.0001032200000000, -0.0001138500000000, -0.0005553500000000 ] - [ -0.0001548200000000, -0.0000188100000000, -0.0002155500000000 ] - [ -0.0003368000000000, -0.0001353800000000, 0.0000801900000000 ] - [ -0.0002742900000000, -0.0000308600000000, 0.0002046700000000 ] - [ -0.0001027100000000, -0.0000456900000000, 0.0000258800000000 ] - [ -0.0001292500000000, -0.0000526700000000, -0.0003234500000000 ] - [ -0.0000020400000000, 0.0000028200000000, -0.0004788100000000 ] - [ -0.0002406400000000, -0.0001388100000000, 0.0004422300000000 ] - [ 0.0001072000000000, -0.0000069700000000, -0.0003195000000000 ] - [ 0.0003074000000000, -0.0000765100000000, -0.0003255500000000 ] - [ 0.0005510700000000, 0.0008202000000000, 0.0040510900000000 ] - [ -0.0016151000000000, 0.0004653000000000, 0.0024632200000000 ] - [ -0.0005224700000000, -0.0001101200000000, 0.0001142700000000 ] - [ 0.0004349300000000, -0.0000568200000000, -0.0001967500000000 ] - [ 0.0006831200000000, -0.0000244600000000, -0.0007568900000000 ] - [ 0.0000499900000000, 0.0001328400000000, 0.0001061100000000 ] - [ -0.0009142700000000, 0.0000889500000000, -0.0001007500000000 ] - [ 0.0009238500000000, -0.0039694300000000, 0.0006944600000000 ] - [ -0.0004471700000000, 0.0000641100000000, -0.0003647300000000 ] - [ 0.0006982800000000, 0.0010778600000000, -0.0011370300000000 ] - [ -0.0007585600000000, 0.0001155000000000, 0.0004957900000000 ] - [ 0.0007336500000000, 0.0004307500000000, -0.0009839400000000 ] - [ -0.0002488700000000, 0.0002880400000000, -0.0004029700000000 ] - [ 0.0000476300000000, 0.0000167700000000, -0.0010551200000000 ] - [ 0.0022385000000000, -0.0286221200000000, 0.0156771200000000 ] - [ 0.0047070800000000, -0.0027192700000000, 0.0029547500000000 ] - [ -0.0025328100000000, 0.0003977400000000, -0.0008264400000000 ] - [ -0.0004890500000000, -0.0001416400000000, -0.0003711600000000 ] - [ -0.0010329700000000, -0.0009041800000000, 0.0005866700000000 ] - [ 0.0563200300000000, -0.0814411600000000, 0.0394957900000000 ] - [ 0.0005850800000000, 0.0003243300000000, -0.0053488200000000 ] - [ -0.0002317900000000, 0.0006000200000000, -0.0004063700000000 ] - [ -0.0005371400000000, -0.0002906900000000, -0.0006728000000000 ] - [ -0.0000775800000000, 0.0000843300000000, 0.0000176700000000 ] - [ -0.0006283400000000, -0.0000286900000000, -0.0002301700000000 ] - [ -0.0082018600000000, 0.0088459900000000, 0.0036432000000000 ] - [ 0.0029861900000000, -0.0051792500000000, 0.0006643500000000 ] - [ 0.0004882700000000, 0.0014327300000000, -0.0001466700000000 ] - [ -0.0018521600000000, 0.0010254700000000, 0.0009271900000000 ] - [ 0.0001588000000000, -0.0005620100000000, -0.0008602900000000 ] - [ -0.0010167100000000, -0.0007085500000000, -0.0006199600000000 ] - [ 0.0006967700000000, 0.0000391900000000, -0.0007911100000000 ] - [ 0.0006558900000000, 0.0000192900000000, 0.0000441600000000 ] - [ -0.0015057400000000, 0.0013296300000000, -0.0016509400000000 ] - [ 0.0000819700000000, 0.0003300000000000, -0.0001701400000000 ] - [ -0.0002313200000000, -0.0002129900000000, 0.0000323700000000 ] - [ -0.0001307100000000, -0.0001019300000000, 0.0003664900000000 ] - [ 0.0000101000000000, 0.0000831100000000, 0.0001551800000000 ] - [ 0.0002004100000000, 0.0000626000000000, -0.0001977000000000 ] - [ -0.0001584700000000, 0.0001134600000000, -0.0002401500000000 ] - [ -0.0001786500000000, -0.0005866000000000, -0.0003587800000000 ] - [ 0.0000784500000000, 0.0000468400000000, -0.0004319400000000 ] - [ -0.0000041600000000, -0.0000955100000000, 0.0001048300000000 ] - [ 0.0005424500000000, 0.0011574300000000, 0.0008031800000000 ] - [ -0.0001503000000000, -0.0002746300000000, 0.0001341700000000 ] - [ 0.0024087700000000, 0.0109073200000000, -0.0120852800000000 ] - [ -0.0001066000000000, -0.0000732300000000, -0.0002429800000000 ] - [ -0.0001348100000000, 0.0000130200000000, -0.0002174800000000 ] - [ 0.0009381100000000, 0.0036644300000000, 0.0017939200000000 ] - [ 0.0006603900000000, -0.0008041400000000, -0.0001601600000000 ] - [ -0.0938529200000000, 0.1466748600000000, -0.0911209600000000 ] - [ -0.0015009800000000, -0.0009449400000000, 0.0018204700000000 ] - [ -0.0005660400000000, 0.0008082600000000, 0.0006819500000000 ] - [ 0.0003333700000000, -0.0000556300000000, 0.0000400000000000 ] - [ -0.0008732100000000, 0.0004769900000000, -0.0004163100000000 ] - [ -0.0013572600000000, -0.0000208700000000, 0.0002419400000000 ] - [ 0.0002190800000000, 0.0005331400000000, 0.0000179700000000 ] - [ -0.0000927400000000, -0.0001354600000000, 0.0006203700000000 ] - [ 0.0011193300000000, -0.0006016200000000, -0.0005686700000000 ] - [ -0.0005233100000000, -0.0008800000000000, -0.0004270800000000 ] - [ -0.0000496700000000, -0.0005636600000000, 0.0003638100000000 ] - [ -0.0023188400000000, 0.0050074000000000, 0.0045122500000000 ] - [ 0.0003051500000000, -0.0003405000000000, 0.0002823200000000 ] - [ -0.0000967800000000, -0.0001234400000000, 0.0002830000000000 ] - [ 0.0001721900000000, -0.0004545000000000, 0.0002282400000000 ] - [ 0.0005516100000000, 0.0000366000000000, -0.0003722700000000 ] - [ 0.0006355300000000, -0.0004360000000000, -0.0001188500000000 ] - [ -0.0004475600000000, -0.0000696300000000, -0.0002695200000000 ] - [ 0.0005838300000000, -0.0000348800000000, 0.0001824100000000 ] - [ 0.0275358600000000, -0.0324313700000000, 0.0200804800000000 ] - [ 0.0008094800000000, 0.0007862400000000, 0.0002481000000000 ] - [ 0.0009156100000000, 0.0124336800000000, -0.0004440000000000 ] - [ 0.0000538800000000, -0.0004855300000000, 0.0005624800000000 ] - [ 0.0005659800000000, -0.0007806300000000, 0.0005378200000000 ] - [ -0.0003424100000000, -0.0000629900000000, 0.0004112700000000 ] - [ -0.0003718300000000, -0.0005242000000000, 0.0009416000000000 ] - [ -0.0004341700000000, -0.0010555800000000, -0.0006416500000000 ] - [ -0.0001864800000000, -0.0000216700000000, 0.0001869100000000 ] - [ 0.0003061500000000, -0.0003719600000000, -0.0007655600000000 ] - [ -0.0002888800000000, 0.0000996300000000, 0.0000117900000000 ] - [ -0.0000692300000000, -0.0001598300000000, -0.0000170000000000 ] - [ 0.0008022600000000, -0.0000656300000000, 0.0012845500000000 ] - [ 0.0003071000000000, -0.0000205100000000, -0.0006722500000000 ] - [ -0.0018841100000000, -0.0079849800000000, 0.0006179400000000 ] - [ 0.0019625300000000, -0.0008235200000000, -0.0000687100000000 ] - [ 0.0002470100000000, -0.0000132900000000, -0.0000568700000000 ] - [ 0.0006437600000000, -0.0011577300000000, -0.0026271500000000 ] - [ -0.0001579300000000, 0.0002348800000000, 0.0006853800000000 ] - [ -0.0001578300000000, 0.0007094800000000, -0.0001562900000000 ] - [ 0.0005658400000000, 0.0014260900000000, -0.0024815100000000 ] - [ -0.0001135800000000, -0.0001999500000000, 0.0001631500000000 ] - [ 0.0007451600000000, 0.0001996700000000, -0.0003749500000000 ] - [ 0.0005470700000000, 0.0002007300000000, 0.0001604300000000 ] - [ 0.0003774500000000, -0.0004336600000000, 0.0006090500000000 ] - [ -0.0005896600000000, 0.0004390400000000, 0.0011867100000000 ] - [ -0.0000191900000000, -0.0005650000000000, 0.0001051200000000 ] - [ 0.0060157000000000, 0.0012643900000000, 0.0036310500000000 ] - [ 0.0005381300000000, 0.0003702800000000, 0.0005527500000000 ] - [ 0.0131973300000000, -0.0204495400000000, -0.0034668100000000 ] - [ 0.0000820300000000, -0.0003643000000000, -0.0004212500000000 ] - [ -0.0111063400000000, -0.0114314900000000, 0.0072758400000000 ] - [ 0.0000236200000000, 0.0006550700000000, 0.0003803400000000 ] - [ 0.0000546000000000, 0.0002114700000000, -0.0000498800000000 ] - [ 0.0013773100000000, 0.0003457100000000, 0.0003058800000000 ] - [ 0.0001799700000000, 0.0005376800000000, -0.0000206500000000 ] - [ 0.0000499700000000, 0.0004309700000000, 0.0004808700000000 ] - [ -0.0016930900000000, 0.0113454800000000, -0.0011303800000000 ] - [ -0.0005763400000000, -0.0061261600000000, 0.0084490900000000 ] - [ 0.0001693800000000, 0.0000531000000000, 0.0003309000000000 ] - [ 0.0004103400000000, 0.0000251700000000, -0.0002736900000000 ] - [ -0.0005012500000000, -0.0001533600000000, 0.0005129500000000 ] - [ 0.0008801300000000, 0.0000424000000000, -0.0002667100000000 ] - [ -0.0003402900000000, -0.0007040300000000, -0.0009669800000000 ] - [ -0.0001494100000000, 0.0015618100000000, -0.0008584000000000 ] - [ 0.0000241800000000, 0.0003281100000000, 0.0001283100000000 ] - [ 0.0015058400000000, -0.0019013600000000, 0.0020538900000000 ] - [ -0.0000037400000000, 0.0001800800000000, 0.0008815100000000 ] - [ 0.0005001200000000, -0.0005213900000000, 0.0001027700000000 ] - [ -0.0003030600000000, -0.0000278400000000, 0.0001472700000000 ] - [ 0.0002352300000000, 0.0003932300000000, 0.0004622800000000 ] - [ 0.0003623900000000, -0.0003626300000000, 0.0007341000000000 ] - [ 0.0004038200000000, -0.0003796200000000, 0.0006763400000000 ]- atom: 65 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0000660100000000, 0.0001457500000000, -0.0002758000000000 ] - [ 0.0003983600000000, -0.0011946100000000, 0.0033184400000000 ] - [ -0.0028298900000000, -0.0017684300000000, 0.0006597400000000 ] - [ -0.0002401100000000, 0.0000534100000000, -0.0004366300000000 ] - [ -0.0004451200000000, 0.0005367000000000, -0.0020758100000000 ] - [ -0.0004712000000000, -0.0000082500000000, -0.0006005600000000 ] - [ -0.0004623400000000, -0.0002062200000000, 0.0002952100000000 ] - [ -0.0002464500000000, -0.0000431700000000, 0.0004855400000000 ] - [ -0.0001673200000000, 0.0000603800000000, -0.0007682100000000 ] - [ -0.0007510400000000, -0.0002540100000000, 0.0000551800000000 ] - [ 0.0001895600000000, 0.0001006100000000, -0.0009556900000000 ] - [ 0.0005009500000000, -0.0003334300000000, 0.0006792700000000 ] - [ 0.0006673700000000, 0.0003261500000000, -0.0008883900000000 ] - [ 0.0003560000000000, 0.0000880900000000, -0.0013029000000000 ] - [ 0.0030670300000000, -0.0038617100000000, -0.0008935200000000 ] - [ 0.0001622100000000, 0.0001766400000000, 0.0028694900000000 ] - [ 0.0000932500000000, -0.0001052700000000, 0.0001039700000000 ] - [ 0.0004110800000000, -0.0000416400000000, -0.0005228000000000 ] - [ 0.0009705800000000, 0.0008092400000000, -0.0054496300000000 ] - [ 0.0001451500000000, 0.0000887800000000, 0.0004101000000000 ] - [ -0.0011496900000000, 0.0001124400000000, -0.0001096700000000 ] - [ 0.0001036400000000, -0.0005783000000000, 0.0057958000000000 ] - [ -0.0005388000000000, 0.0000432800000000, -0.0010640800000000 ] - [ 0.0011641900000000, 0.0001420600000000, -0.0008137500000000 ] - [ -0.0007898100000000, 0.0001655700000000, 0.0012287300000000 ] - [ 0.0009032000000000, -0.0002995200000000, -0.0039521300000000 ] - [ -0.0005614100000000, -0.0003382200000000, -0.0027215700000000 ] - [ 0.0005339300000000, -0.0004112700000000, -0.0025628100000000 ] - [ 0.0028879300000000, -0.0143652400000000, 0.0300217900000000 ] - [ 0.0041130500000000, -0.0014062700000000, 0.0060053100000000 ] - [ -0.0050372100000000, 0.0016721800000000, 0.0012276500000000 ] - [ -0.0006191200000000, -0.0002845800000000, -0.0012564500000000 ] - [ -0.0012263400000000, -0.0009878600000000, 0.0017634600000000 ] - [ 0.0865820600000000, -0.0371255100000000, 0.1164036500000000 ] - [ -0.0001436100000000, 0.0014482300000000, -0.0033550400000000 ] - [ -0.0003252700000000, 0.0005487000000000, -0.0013281800000000 ] - [ -0.0013431500000000, -0.0004336700000000, -0.0011008600000000 ] - [ 0.0002518800000000, 0.0000926100000000, 0.0001327000000000 ] - [ -0.0004893100000000, 0.0000805900000000, -0.0015604100000000 ] - [ -0.0001224000000000, 0.0010670300000000, 0.0041157700000000 ] - [ 0.0153547500000000, -0.0080317400000000, -0.0056702300000000 ] - [ 0.0013455400000000, 0.0010036500000000, -0.0005012100000000 ] - [ -0.0016140800000000, 0.0009171200000000, 0.0021968700000000 ] - [ -0.0000811200000000, -0.0004175600000000, -0.0035661300000000 ] - [ -0.0033526100000000, 0.0000883500000000, -0.0006729400000000 ] - [ 0.0008077800000000, -0.0007084500000000, -0.0034631200000000 ] - [ 0.0023783200000000, 0.0015418100000000, -0.0038253500000000 ] - [ -0.0027641800000000, 0.0000914100000000, -0.0024442400000000 ] - [ 0.0001706900000000, 0.0006025200000000, -0.0005738300000000 ] - [ -0.0003562100000000, 0.0005624400000000, 0.0008764100000000 ] - [ -0.0003458700000000, -0.0001425400000000, 0.0004997300000000 ] - [ 0.0000629600000000, 0.0000873400000000, 0.0000033400000000 ] - [ 0.0003332300000000, 0.0000721400000000, -0.0003991200000000 ] - [ -0.0002709000000000, 0.0001208300000000, -0.0001834100000000 ] - [ -0.0005197200000000, -0.0025180600000000, -0.0026051100000000 ] - [ -0.0002622300000000, 0.0006843700000000, -0.0014368500000000 ] - [ 0.0000090700000000, 0.0000218100000000, -0.0003385100000000 ] - [ 0.0005159000000000, 0.0013381800000000, 0.0010402500000000 ] - [ -0.0000892600000000, -0.0004265100000000, 0.0003624300000000 ] - [ 0.0005563900000000, 0.0026703400000000, -0.0025335400000000 ] - [ -0.0000082600000000, -0.0000456900000000, -0.0003096800000000 ] - [ -0.0001790300000000, -0.0002047300000000, -0.0005004100000000 ] - [ -0.0001696500000000, 0.0008838700000000, 0.0024291400000000 ] - [ -0.0010439600000000, -0.0006093900000000, -0.0011454900000000 ] - [ -0.1345678300000000, 0.0907617000000000, -0.1901507000000000 ] - [ -0.0010474100000000, -0.0003717400000000, 0.0021903300000000 ] - [ -0.0005328500000000, 0.0010019900000000, 0.0016162500000000 ] - [ 0.0004282400000000, 0.0000123400000000, 0.0005274700000000 ] - [ -0.0044615300000000, -0.0009113900000000, -0.0017435200000000 ] - [ -0.0015972500000000, -0.0000938100000000, -0.0001693200000000 ] - [ 0.0001143400000000, 0.0005834800000000, -0.0000688100000000 ] - [ 0.0000448500000000, -0.0003236900000000, 0.0016050600000000 ] - [ 0.0013152600000000, -0.0007563800000000, -0.0010796100000000 ] - [ -0.0008127700000000, -0.0018562700000000, 0.0003226400000000 ] - [ 0.0004144800000000, -0.0008435400000000, 0.0023137500000000 ] - [ -0.0078264600000000, 0.0010557000000000, 0.0270432000000000 ] - [ 0.0005179000000000, -0.0001623300000000, 0.0004438100000000 ] - [ 0.0008569800000000, 0.0005024100000000, 0.0012729500000000 ] - [ 0.0010709500000000, -0.0005851600000000, 0.0000160100000000 ] - [ 0.0005517400000000, 0.0001369000000000, -0.0007930200000000 ] - [ 0.0008405300000000, -0.0001638900000000, -0.0008287500000000 ] - [ -0.0019424800000000, 0.0004426100000000, 0.0015424500000000 ] - [ 0.0007539300000000, -0.0001020000000000, -0.0002297400000000 ] - [ 0.0102728700000000, -0.0141873900000000, -0.0061414600000000 ] - [ 0.0009036800000000, 0.0007402800000000, -0.0001571400000000 ] - [ 0.0294680600000000, -0.0040116700000000, 0.0295916200000000 ] - [ 0.0004034300000000, -0.0007993100000000, 0.0015994000000000 ] - [ 0.0005799200000000, -0.0008527200000000, 0.0008900800000000 ] - [ -0.0005219400000000, 0.0001395100000000, 0.0011527900000000 ] - [ -0.0005736900000000, -0.0008179900000000, 0.0025628000000000 ] - [ -0.0009333100000000, -0.0008410200000000, -0.0006668400000000 ] - [ -0.0000947600000000, 0.0002261700000000, 0.0014613200000000 ] - [ 0.0002128600000000, -0.0003067100000000, -0.0015296400000000 ] - [ -0.0011065700000000, 0.0001992400000000, 0.0019219000000000 ] - [ -0.0001111600000000, -0.0001731400000000, 0.0001278400000000 ] - [ 0.0010437100000000, 0.0000908500000000, 0.0013984300000000 ] - [ 0.0003241200000000, 0.0000631500000000, -0.0012808500000000 ] - [ -0.0002409600000000, -0.0001992800000000, -0.0019294500000000 ] - [ 0.0001326900000000, -0.0003290300000000, -0.0012404000000000 ] - [ 0.0003905200000000, 0.0001192200000000, 0.0003492900000000 ] - [ -0.0005239500000000, 0.0002212300000000, -0.0032915800000000 ] - [ -0.0003497900000000, 0.0001595500000000, 0.0010645200000000 ] - [ 0.0002624900000000, 0.0002864100000000, 0.0000605300000000 ] - [ -0.0020939800000000, 0.0032482900000000, -0.0001057200000000 ] - [ -0.0003706400000000, -0.0000009000000000, 0.0000056000000000 ] - [ 0.0005632800000000, -0.0001379900000000, -0.0010858100000000 ] - [ 0.0003354200000000, 0.0000293500000000, 0.0007679300000000 ] - [ 0.0012252500000000, -0.0009264200000000, 0.0000864600000000 ] - [ -0.0023106400000000, 0.0020240700000000, 0.0056236200000000 ] - [ -0.0000936000000000, -0.0006797500000000, 0.0006222500000000 ] - [ 0.0147845600000000, -0.0044384800000000, 0.0041645700000000 ] - [ 0.0013133400000000, 0.0005962200000000, 0.0008377200000000 ] - [ 0.0007385300000000, -0.0020612200000000, -0.0055563400000000 ] - [ -0.0000498400000000, -0.0003480400000000, -0.0006106500000000 ] - [ -0.0071412000000000, -0.0079953100000000, -0.0003621200000000 ] - [ 0.0000859400000000, 0.0017433700000000, 0.0022370000000000 ] - [ 0.0003049000000000, 0.0001391300000000, -0.0002106600000000 ] - [ 0.0024276100000000, 0.0006234800000000, 0.0006010000000000 ] - [ 0.0002676500000000, 0.0006304600000000, 0.0005985900000000 ] - [ -0.0000093100000000, 0.0005456900000000, 0.0010008000000000 ] - [ -0.0015651700000000, 0.0011521600000000, -0.0135078800000000 ] - [ 0.0000826800000000, -0.0000622100000000, 0.0025696300000000 ] - [ 0.0000120100000000, 0.0000976900000000, 0.0007276600000000 ] - [ 0.0000998300000000, 0.0001338500000000, -0.0001218500000000 ] - [ -0.0000474300000000, 0.0003236300000000, 0.0018424000000000 ] - [ 0.0013839200000000, 0.0002296200000000, -0.0012949600000000 ] - [ -0.0004969000000000, -0.0005064200000000, -0.0015275200000000 ] - [ -0.0038421300000000, -0.0001653800000000, 0.0030061400000000 ] - [ 0.0002006600000000, 0.0003112200000000, 0.0005099500000000 ] - [ 0.0021499700000000, -0.0022344000000000, 0.0012054400000000 ] - [ -0.0005595000000000, 0.0006858900000000, 0.0020980100000000 ] - [ 0.0023683000000000, -0.0005864000000000, 0.0013961800000000 ] - [ -0.0005194200000000, -0.0002703200000000, 0.0015606900000000 ] - [ -0.0000244000000000, 0.0004731300000000, 0.0012688000000000 ] - [ 0.0004936200000000, -0.0017632400000000, 0.0015963000000000 ] - [ 0.0006745000000000, -0.0001578500000000, 0.0014672100000000 ]- atom: 65 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000657600000000, 0.0001202500000000, 0.0002769400000000 ] - [ -0.0003746600000000, 0.0012718700000000, -0.0032556500000000 ] - [ 0.0028359500000000, 0.0017715100000000, -0.0008050400000000 ] - [ 0.0002403300000000, -0.0000536400000000, 0.0004353400000000 ] - [ 0.0004417600000000, -0.0007972800000000, 0.0020690700000000 ] - [ 0.0004691000000000, 0.0000090500000000, 0.0007263700000000 ] - [ 0.0004604600000000, -0.0000588800000000, -0.0002980500000000 ] - [ 0.0002438500000000, 0.0000434300000000, -0.0004830800000000 ] - [ 0.0001698300000000, -0.0000610800000000, 0.0016188000000000 ] - [ 0.0007493500000000, 0.0002524400000000, -0.0009021800000000 ] - [ -0.0001910000000000, -0.0001011800000000, 0.0001018700000000 ] - [ -0.0004996600000000, 0.0003350200000000, -0.0005554100000000 ] - [ -0.0006629000000000, -0.0003242300000000, 0.0007629100000000 ] - [ -0.0003568000000000, -0.0000891700000000, 0.0013009200000000 ] - [ -0.0030729900000000, 0.0041196500000000, 0.0008479500000000 ] - [ -0.0001647300000000, -0.0001679800000000, -0.0019983000000000 ] - [ -0.0011329500000000, -0.0000118400000000, 0.0000072300000000 ] - [ 0.0006295200000000, -0.0000770100000000, 0.0004172900000000 ] - [ 0.0000688900000000, -0.0009330100000000, 0.0055699200000000 ] - [ 0.0008955700000000, 0.0000293300000000, -0.0005154800000000 ] - [ 0.0001087800000000, 0.0000063400000000, 0.0002105500000000 ] - [ -0.0011188000000000, 0.0004519900000000, -0.0058787900000000 ] - [ -0.0005040000000000, 0.0000742400000000, 0.0009567800000000 ] - [ -0.0001174400000000, -0.0000253100000000, 0.0009275500000000 ] - [ 0.0007749100000000, -0.0001672300000000, -0.0012217800000000 ] - [ -0.0009051400000000, 0.0003043200000000, 0.0039473100000000 ] - [ 0.0005658500000000, 0.0003427500000000, 0.0044309200000000 ] - [ -0.0005368700000000, 0.0004133600000000, 0.0008471800000000 ] - [ -0.0023033000000000, 0.0127031300000000, -0.0288050900000000 ] - [ -0.0041242100000000, 0.0013679500000000, -0.0042161900000000 ] - [ 0.0050263200000000, -0.0016650500000000, -0.0029249800000000 ] - [ 0.0006198000000000, 0.0002853200000000, 0.0012528800000000 ] - [ 0.0012963100000000, -0.0002874800000000, -0.0016860600000000 ] - [ -0.0893420100000000, 0.0383382700000000, -0.1168683400000000 ] - [ 0.0002205500000000, -0.0001807900000000, 0.0032261700000000 ] - [ 0.0003972000000000, 0.0007256900000000, 0.0014079700000000 ] - [ 0.0020992300000000, 0.0002844000000000, 0.0005925900000000 ] - [ 0.0005116400000000, 0.0000565600000000, -0.0006509100000000 ] - [ -0.0002707900000000, -0.0002312500000000, 0.0020739200000000 ] - [ 0.0000813900000000, 0.0002161200000000, -0.0040584500000000 ] - [ -0.0151561200000000, 0.0066968900000000, 0.0055882700000000 ] - [ -0.0014206800000000, 0.0002686500000000, 0.0004311800000000 ] - [ 0.0008297500000000, -0.0007642800000000, -0.0016962500000000 ] - [ 0.0000003100000000, -0.0008574100000000, 0.0036387000000000 ] - [ 0.0032928600000000, -0.0013692200000000, 0.0005754300000000 ] - [ -0.0000401600000000, 0.0008529600000000, 0.0039692600000000 ] - [ -0.0031513700000000, -0.0016969700000000, 0.0033094100000000 ] - [ 0.0019885100000000, 0.0000551500000000, 0.0019351200000000 ] - [ 0.0000297700000000, -0.0003332200000000, 0.0006583600000000 ] - [ 0.0005536900000000, -0.0008400100000000, -0.0008053300000000 ] - [ 0.0004161100000000, -0.0000254800000000, -0.0000185400000000 ] - [ 0.0000225500000000, 0.0000833400000000, 0.0004760100000000 ] - [ -0.0002483800000000, 0.0000984800000000, -0.0000815300000000 ] - [ 0.0001847900000000, 0.0000498600000000, -0.0002953700000000 ] - [ 0.0003168100000000, 0.0022366700000000, 0.0026775200000000 ] - [ 0.0004600000000000, -0.0009576200000000, 0.0013538900000000 ] - [ -0.0000935100000000, -0.0001927100000000, 0.0008166300000000 ] - [ -0.0003164400000000, -0.0010731300000000, -0.0011300800000000 ] - [ -0.0001106600000000, 0.0001556800000000, -0.0004462700000000 ] - [ -0.0007391300000000, -0.0023261800000000, 0.0025269300000000 ] - [ -0.0000769400000000, -0.0001253600000000, -0.0001706300000000 ] - [ -0.0000214500000000, 0.0004776000000000, 0.0004197700000000 ] - [ 0.0000784400000000, -0.0007257500000000, -0.0019494400000000 ] - [ 0.0011173500000000, 0.0004419700000000, 0.0006629100000000 ] - [ 0.1369755300000000, -0.0899170400000000, 0.1897132500000000 ] - [ 0.0010480200000000, 0.0001113500000000, -0.0016408700000000 ] - [ -0.0004264100000000, 0.0004957300000000, -0.0008208700000000 ] - [ -0.0004121000000000, -0.0000810900000000, -0.0010010300000000 ] - [ 0.0043991600000000, 0.0000834800000000, 0.0011117800000000 ] - [ 0.0016269800000000, 0.0009155000000000, -0.0004441500000000 ] - [ 0.0000591000000000, 0.0003822300000000, 0.0003626800000000 ] - [ -0.0006117600000000, 0.0002600700000000, -0.0011499500000000 ] - [ -0.0004482600000000, 0.0002751500000000, 0.0009758300000000 ] - [ 0.0006408700000000, 0.0008957300000000, -0.0000255100000000 ] - [ -0.0005583800000000, -0.0001195200000000, -0.0030269800000000 ] - [ 0.0077588400000000, -0.0008314400000000, -0.0259613100000000 ] - [ -0.0003427100000000, -0.0008040600000000, -0.0001537200000000 ] - [ -0.0010254500000000, 0.0004666000000000, -0.0009816300000000 ] - [ -0.0016282700000000, 0.0006476700000000, -0.0004752100000000 ] - [ -0.0005393300000000, 0.0001152200000000, 0.0002561800000000 ] - [ -0.0004493400000000, -0.0005052100000000, 0.0011952700000000 ] - [ 0.0013821800000000, -0.0005069900000000, -0.0019988000000000 ] - [ -0.0007676900000000, 0.0000335100000000, 0.0007015300000000 ] - [ -0.0100801700000000, 0.0131580100000000, 0.0060978000000000 ] - [ 0.0000579500000000, 0.0007584400000000, 0.0009497100000000 ] - [ -0.0305331100000000, 0.0047007800000000, -0.0299692200000000 ] - [ -0.0003723200000000, -0.0000213900000000, -0.0009939800000000 ] - [ 0.0003809900000000, -0.0006447900000000, -0.0000959800000000 ] - [ 0.0005402300000000, -0.0002085500000000, -0.0006762000000000 ] - [ 0.0001834300000000, 0.0001493500000000, -0.0022020200000000 ] - [ -0.0000268800000000, -0.0006570500000000, -0.0001321400000000 ] - [ 0.0000769300000000, -0.0001597200000000, -0.0019368300000000 ] - [ -0.0000636700000000, -0.0006575700000000, 0.0008142200000000 ] - [ 0.0019723900000000, 0.0002813100000000, -0.0018195000000000 ] - [ -0.0007476900000000, -0.0003072300000000, -0.0000235200000000 ] - [ -0.0010684100000000, 0.0007222700000000, -0.0019908900000000 ] - [ -0.0002844900000000, 0.0000094200000000, 0.0007898600000000 ] - [ -0.0007405000000000, -0.0013041100000000, 0.0027196900000000 ] - [ -0.0001165400000000, 0.0011390200000000, 0.0018390400000000 ] - [ -0.0003830800000000, -0.0003727800000000, -0.0008865000000000 ] - [ 0.0003731600000000, 0.0007445700000000, 0.0025855300000000 ] - [ 0.0002018500000000, 0.0008051600000000, -0.0003534000000000 ] - [ -0.0012247000000000, 0.0012126500000000, -0.0008494700000000 ] - [ 0.0030350200000000, -0.0017285000000000, -0.0006926000000000 ] - [ 0.0003652400000000, -0.0002506100000000, 0.0005270000000000 ] - [ -0.0007270000000000, 0.0011024600000000, 0.0008002500000000 ] - [ 0.0005220300000000, 0.0004502800000000, -0.0008688700000000 ] - [ -0.0013743000000000, -0.0000339700000000, 0.0006493100000000 ] - [ 0.0024342200000000, -0.0029681200000000, -0.0048747600000000 ] - [ -0.0000802500000000, -0.0002844100000000, -0.0009149700000000 ] - [ -0.0146012900000000, 0.0044586100000000, -0.0036541600000000 ] - [ -0.0013215300000000, -0.0003414100000000, -0.0002953200000000 ] - [ -0.0008001400000000, 0.0018676800000000, 0.0050177400000000 ] - [ -0.0003375600000000, -0.0003177600000000, 0.0002569200000000 ] - [ 0.0071015800000000, 0.0079059800000000, -0.0001679800000000 ] - [ 0.0000872900000000, -0.0007702100000000, -0.0025210500000000 ] - [ -0.0011561400000000, 0.0003382100000000, 0.0003067400000000 ] - [ -0.0018562900000000, -0.0006857500000000, -0.0010556600000000 ] - [ -0.0001193200000000, 0.0003330100000000, -0.0013178300000000 ] - [ -0.0000169900000000, 0.0002738900000000, -0.0003963700000000 ] - [ 0.0023159900000000, -0.0012097600000000, 0.0140050300000000 ] - [ 0.0000630800000000, 0.0009766300000000, -0.0017785200000000 ] - [ -0.0000280300000000, -0.0000301000000000, -0.0002515600000000 ] - [ 0.0004657000000000, -0.0000705100000000, -0.0003308000000000 ] - [ -0.0008092100000000, -0.0008022700000000, -0.0019412600000000 ] - [ -0.0014085800000000, -0.0010475100000000, 0.0018946300000000 ] - [ -0.0000526000000000, 0.0005823000000000, 0.0019845300000000 ] - [ 0.0042643000000000, 0.0008320500000000, -0.0033779700000000 ] - [ -0.0005872700000000, 0.0003554400000000, -0.0008695000000000 ] - [ -0.0012873900000000, 0.0017444600000000, -0.0011064000000000 ] - [ 0.0011194100000000, -0.0006202200000000, -0.0016386200000000 ] - [ -0.0023557200000000, -0.0002313800000000, -0.0020029100000000 ] - [ 0.0005148300000000, 0.0005241300000000, -0.0020962200000000 ] - [ 0.0004112300000000, 0.0001929400000000, -0.0009137000000000 ] - [ 0.0004665600000000, 0.0002778000000000, -0.0023838400000000 ] - [ -0.0002834400000000, -0.0005085800000000, -0.0018246000000000 ]- atom: 66 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0006244400000000, 0.0000640700000000, -0.0000429700000000 ] - [ 0.0009818200000000, 0.0001965500000000, 0.0003595700000000 ] - [ -0.0007586300000000, 0.0019008700000000, 0.0024818500000000 ] - [ -0.0014074500000000, 0.0000716200000000, -0.0003504000000000 ] - [ 0.0007049700000000, -0.0002205000000000, 0.0007119000000000 ] - [ -0.0004104400000000, 0.0000317300000000, 0.0006615800000000 ] - [ -0.0013219600000000, -0.0001190400000000, 0.0001887900000000 ] - [ -0.0006106200000000, -0.0001366200000000, 0.0002552800000000 ] - [ -0.0005695000000000, -0.0012219300000000, -0.0023746000000000 ] - [ -0.0002963900000000, 0.0000783700000000, -0.0005210800000000 ] - [ -0.0016403000000000, 0.0003180500000000, -0.0000328800000000 ] - [ -0.0013640000000000, -0.0001047700000000, -0.0008384900000000 ] - [ 0.0003123200000000, -0.0000043700000000, -0.0004130900000000 ] - [ 0.0040883600000000, 0.0026164800000000, 0.0012766000000000 ] - [ 0.0050087400000000, 0.0011390700000000, -0.0006134800000000 ] - [ -0.0001088100000000, -0.0000727600000000, 0.0012133100000000 ] - [ -0.0007267100000000, -0.0000654400000000, 0.0000515400000000 ] - [ -0.0005867200000000, -0.0000670400000000, 0.0001257900000000 ] - [ 0.0042794800000000, -0.0023388400000000, 0.0001002800000000 ] - [ -0.0003256200000000, 0.0000526000000000, -0.0002624600000000 ] - [ -0.0057644900000000, -0.0007819000000000, 0.0006561500000000 ] - [ -0.0000316200000000, -0.0000388400000000, -0.0012070200000000 ] - [ -0.0006070900000000, 0.0007596500000000, 0.0025489900000000 ] - [ 0.0009578600000000, 0.0000924000000000, 0.0004088600000000 ] - [ -0.0016467700000000, 0.0006713400000000, 0.0006053900000000 ] - [ 0.0195795300000000, 0.0007577600000000, -0.0013343700000000 ] - [ -0.0013269400000000, 0.0086283400000000, -0.0116670100000000 ] - [ -0.0089120700000000, -0.0022813800000000, 0.0001201900000000 ] - [ 0.0021753000000000, -0.0009718600000000, 0.0003587000000000 ] - [ 0.0002082100000000, 0.0002644800000000, 0.0026400400000000 ] - [ -0.0006771000000000, -0.0004715300000000, -0.0013917200000000 ] - [ -0.0049056700000000, -0.0002463800000000, -0.0008235100000000 ] - [ -0.0020904200000000, -0.0005503200000000, -0.0006658900000000 ] - [ 0.0028850500000000, -0.0038484200000000, 0.0017274000000000 ] - [ 0.2074200600000000, 0.0958747400000000, -0.0544792700000000 ] - [ -0.0040131000000000, 0.0011304700000000, 0.0008855100000000 ] - [ -0.0009221400000000, 0.0000352600000000, 0.0002523600000000 ] - [ -0.0052024200000000, 0.0004894200000000, -0.0011821800000000 ] - [ -0.0020569100000000, -0.0000600100000000, -0.0010452300000000 ] - [ 0.0014459600000000, 0.0000455700000000, -0.0063398300000000 ] - [ 0.0013092200000000, -0.0008486200000000, 0.0006191500000000 ] - [ -0.0005905700000000, 0.0007837600000000, -0.0001252200000000 ] - [ -0.0025208300000000, -0.0001985000000000, 0.0034963600000000 ] - [ -0.0001780800000000, -0.0006825300000000, 0.0030992900000000 ] - [ -0.0050838000000000, -0.0014744000000000, 0.0014599600000000 ] - [ 0.0107873600000000, 0.0015132200000000, -0.0001167000000000 ] - [ -0.0048616000000000, 0.0004050900000000, -0.0046391900000000 ] - [ 0.0002291000000000, -0.0000877300000000, 0.0011923900000000 ] - [ 0.0000415900000000, 0.0004824600000000, -0.0004202600000000 ] - [ -0.0001808000000000, 0.0003374600000000, 0.0008784800000000 ] - [ -0.0002009300000000, -0.0001453300000000, 0.0004421800000000 ] - [ -0.0001852800000000, -0.0000831500000000, -0.0002951100000000 ] - [ -0.0060941600000000, 0.0026481200000000, -0.0008167500000000 ] - [ -0.0002422700000000, 0.0000685100000000, -0.0001954500000000 ] - [ 0.0000725100000000, -0.0001420700000000, 0.0000836700000000 ] - [ 0.0002001700000000, -0.0008519200000000, 0.0008901900000000 ] - [ 0.0005382800000000, -0.0006449500000000, -0.0003075700000000 ] - [ -0.0007776400000000, -0.0002657400000000, -0.0026238600000000 ] - [ -0.0005178000000000, 0.0000847400000000, -0.0003475600000000 ] - [ 0.0028365400000000, -0.0082903300000000, 0.0075068700000000 ] - [ -0.0008931100000000, -0.0000945900000000, -0.0002727700000000 ] - [ -0.0002024500000000, 0.0004832600000000, 0.0003579600000000 ] - [ 0.0003977400000000, 0.0002760700000000, 0.0008719000000000 ] - [ 0.0001324400000000, -0.0000246300000000, -0.0001565800000000 ] - [ -0.0030523400000000, 0.0017431300000000, -0.0011005300000000 ] - [ -0.2834394100000000, -0.1472074000000000, 0.0933279200000000 ] - [ -0.0003531600000000, -0.0000497300000000, -0.0009762200000000 ] - [ 0.0040092600000000, -0.0008866000000000, 0.0023795200000000 ] - [ -0.0005786300000000, -0.0006210400000000, -0.0008135600000000 ] - [ 0.0000431700000000, 0.0004431500000000, -0.0006827800000000 ] - [ 0.0016283400000000, 0.0002273400000000, 0.0004313800000000 ] - [ 0.0003172100000000, -0.0005091000000000, 0.0016246600000000 ] - [ 0.0021971500000000, -0.0007766900000000, -0.0013644900000000 ] - [ 0.0019750200000000, -0.0017924100000000, 0.0023970200000000 ] - [ -0.0001287500000000, -0.0003145800000000, -0.0023325300000000 ] - [ -0.0008141800000000, 0.0003613200000000, -0.0000022200000000 ] - [ 0.0004731800000000, -0.0006883800000000, -0.0001637600000000 ] - [ -0.0002925500000000, 0.0008228300000000, -0.0005515300000000 ] - [ -0.0000954400000000, 0.0001885100000000, -0.0004724300000000 ] - [ 0.0013082000000000, -0.0003659000000000, -0.0000497400000000 ] - [ 0.0020928500000000, -0.0000479300000000, -0.0023694700000000 ] - [ 0.0021891800000000, 0.0001034200000000, -0.0000195900000000 ] - [ 0.0009262200000000, -0.0000771200000000, 0.0002172800000000 ] - [ -0.0011190900000000, 0.0049401500000000, -0.0047083500000000 ] - [ 0.0011830100000000, 0.0007958000000000, 0.0005676400000000 ] - [ -0.0022917500000000, 0.0008273300000000, -0.0007652000000000 ] - [ 0.0008383400000000, 0.0005477500000000, -0.0011921600000000 ] - [ 0.0017682900000000, -0.0009274200000000, 0.0002145500000000 ] - [ 0.0205909500000000, 0.0044116600000000, -0.0104957000000000 ] - [ -0.0024609300000000, -0.0005563300000000, -0.0005419000000000 ] - [ -0.0002688600000000, -0.0007695600000000, -0.0005495800000000 ] - [ -0.0049651000000000, -0.0027194300000000, 0.0037621000000000 ] - [ 0.0009896600000000, -0.0005955800000000, 0.0001992600000000 ] - [ 0.0034368300000000, 0.0133551600000000, 0.0008144300000000 ] - [ 0.0029000600000000, 0.0003006700000000, -0.0004939000000000 ] - [ 0.0412576900000000, 0.0059396000000000, -0.0004507100000000 ] - [ 0.0006113900000000, -0.0001211400000000, -0.0006585600000000 ] - [ -0.0010135600000000, -0.0013299900000000, 0.0019691700000000 ] - [ 0.0006584100000000, 0.0010707600000000, 0.0018444200000000 ] - [ 0.0025346600000000, 0.0005547800000000, 0.0003254500000000 ] - [ 0.0012384000000000, 0.0004715700000000, 0.0056340500000000 ] - [ 0.0001030900000000, 0.0002770200000000, 0.0007167000000000 ] - [ 0.0018743700000000, 0.0018041900000000, -0.0003903200000000 ] - [ 0.0000503200000000, 0.0008323700000000, -0.0008862900000000 ] - [ 0.0005773200000000, -0.0003135800000000, 0.0001918500000000 ] - [ 0.0005255500000000, 0.0005344300000000, -0.0012083000000000 ] - [ 0.0017984500000000, 0.0001334100000000, 0.0003126400000000 ] - [ 0.0009280500000000, -0.0006251700000000, -0.0008777500000000 ] - [ -0.0004410200000000, -0.0003959000000000, 0.0000499700000000 ] - [ 0.0004144100000000, -0.0004580300000000, 0.0005516500000000 ] - [ -0.0004949300000000, 0.0001780900000000, 0.0003151700000000 ] - [ 0.0028656400000000, 0.0011698900000000, 0.0008288600000000 ] - [ -0.0020768300000000, 0.0006857700000000, 0.0012604400000000 ] - [ 0.0013255300000000, -0.0002875400000000, 0.0004727200000000 ] - [ -0.0010582200000000, -0.0000197200000000, -0.0008311100000000 ] - [ -0.0018928400000000, -0.0003818700000000, 0.0004320700000000 ] - [ 0.0005016400000000, -0.0000002900000000, -0.0003344500000000 ] - [ 0.0008267800000000, 0.0000383300000000, -0.0002182700000000 ] - [ 0.0008600400000000, 0.0002268200000000, -0.0011302500000000 ] - [ 0.0036250000000000, -0.0007695900000000, -0.0015774400000000 ] - [ 0.0002497200000000, 0.0006621500000000, -0.0006474700000000 ] - [ 0.0014628200000000, 0.0132363400000000, -0.0194662700000000 ] - [ 0.0024468800000000, 0.0001461200000000, 0.0002078600000000 ] - [ 0.0046281100000000, -0.0011486800000000, 0.0013961200000000 ] - [ -0.0092373200000000, -0.0025474500000000, -0.0077561800000000 ] - [ 0.0009539400000000, -0.0001556300000000, 0.0005708500000000 ] - [ 0.0001792200000000, -0.0001942900000000, -0.0011240600000000 ] - [ 0.0005752100000000, 0.0001948500000000, 0.0027471300000000 ] - [ 0.0004536300000000, 0.0003718900000000, -0.0005558500000000 ] - [ -0.0005190600000000, 0.0000560500000000, -0.0004637100000000 ] - [ -0.0036976000000000, 0.0009322100000000, 0.0045407400000000 ] - [ 0.0024933100000000, -0.0028517500000000, -0.0003269100000000 ] - [ -0.0009062900000000, 0.0013505600000000, -0.0023042000000000 ] - [ 0.0005834800000000, 0.0004922600000000, 0.0008532300000000 ] - [ 0.0005419000000000, 0.0156482400000000, -0.0014733600000000 ] - [ 0.0000309800000000, -0.0004351900000000, -0.0014557600000000 ]- atom: 66 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0006245400000000, 0.0002015000000000, 0.0000445500000000 ] - [ -0.0009817500000000, -0.0001963800000000, -0.0003615200000000 ] - [ 0.0007491000000000, -0.0019144900000000, -0.0026277500000000 ] - [ 0.0014107900000000, -0.0000701200000000, 0.0003537500000000 ] - [ -0.0007011400000000, -0.0000406000000000, -0.0007199700000000 ] - [ 0.0004147000000000, -0.0000317100000000, -0.0005341100000000 ] - [ 0.0013258500000000, -0.0001482600000000, -0.0001912000000000 ] - [ 0.0006114800000000, 0.0001371400000000, -0.0002574000000000 ] - [ 0.0005568800000000, 0.0012379600000000, 0.0032409300000000 ] - [ 0.0002981800000000, -0.0000786300000000, -0.0003332500000000 ] - [ 0.0016422100000000, -0.0003147400000000, -0.0008183100000000 ] - [ 0.0013662100000000, 0.0001029000000000, 0.0009630000000000 ] - [ -0.0003194700000000, 0.0000045600000000, 0.0002852600000000 ] - [ -0.0040666900000000, -0.0026406200000000, -0.0012874300000000 ] - [ -0.0050126500000000, -0.0008594400000000, 0.0006659100000000 ] - [ 0.0001065400000000, 0.0000738100000000, -0.0003635000000000 ] - [ -0.0003164900000000, -0.0000535700000000, 0.0000516300000000 ] - [ 0.0016302900000000, -0.0000530500000000, -0.0002281700000000 ] - [ -0.0032558000000000, 0.0022423700000000, 0.0000159100000000 ] - [ 0.0013692100000000, 0.0000665800000000, 0.0001566900000000 ] - [ 0.0047603300000000, 0.0009143000000000, -0.0005603700000000 ] - [ -0.0010077200000000, -0.0000800700000000, 0.0011038300000000 ] - [ -0.0004185900000000, -0.0006385900000000, -0.0026469000000000 ] - [ 0.0000821600000000, 0.0000268300000000, -0.0003113900000000 ] - [ 0.0016484000000000, -0.0006733900000000, -0.0006109600000000 ] - [ -0.0194757300000000, -0.0004308600000000, 0.0009912600000000 ] - [ 0.0012614700000000, -0.0087265200000000, 0.0134911600000000 ] - [ 0.0089112500000000, 0.0022698700000000, -0.0018310500000000 ] - [ -0.0021751400000000, 0.0009706200000000, -0.0003628700000000 ] - [ -0.0002157200000000, -0.0002695200000000, -0.0009358600000000 ] - [ 0.0006832100000000, 0.0004733000000000, -0.0003243500000000 ] - [ 0.0049216800000000, 0.0002397400000000, 0.0008310300000000 ] - [ 0.0021715500000000, -0.0007221200000000, 0.0007428200000000 ] - [ -0.0021265600000000, 0.0037085200000000, -0.0011987000000000 ] - [ -0.2172363800000000, -0.1023203000000000, 0.0588971300000000 ] - [ 0.0040939100000000, 0.0001460100000000, -0.0008002700000000 ] - [ 0.0016923300000000, -0.0001839500000000, -0.0007627200000000 ] - [ 0.0059777000000000, -0.0003369900000000, 0.0006678700000000 ] - [ 0.0012771400000000, -0.0000863600000000, 0.0015595900000000 ] - [ -0.0015119400000000, 0.0012244500000000, 0.0064136300000000 ] - [ -0.0012402200000000, -0.0004251900000000, -0.0007130100000000 ] - [ 0.0005089900000000, 0.0004879400000000, 0.0000430300000000 ] - [ 0.0017527700000000, 0.0003511100000000, -0.0030108800000000 ] - [ 0.0001312200000000, -0.0005895100000000, -0.0030208400000000 ] - [ 0.0050148200000000, 0.0002069300000000, -0.0015478400000000 ] - [ -0.0101443800000000, -0.0013913100000000, 0.0005909700000000 ] - [ 0.0041423000000000, -0.0005425200000000, 0.0041537300000000 ] - [ -0.0009887600000000, 0.0002364500000000, -0.0017120300000000 ] - [ 0.0001572000000000, -0.0002118100000000, 0.0005044500000000 ] - [ 0.0003806500000000, -0.0006117500000000, -0.0008010000000000 ] - [ 0.0002853400000000, -0.0000261300000000, 0.0000376300000000 ] - [ 0.0002685300000000, 0.0002560800000000, 0.0007808200000000 ] - [ 0.0061790200000000, -0.0024752200000000, 0.0003307800000000 ] - [ 0.0001583000000000, 0.0001035400000000, -0.0002861100000000 ] - [ -0.0002729300000000, -0.0001383700000000, -0.0000120700000000 ] - [ 0.0000002900000000, 0.0005809600000000, -0.0009740700000000 ] - [ -0.0006016400000000, 0.0004735000000000, 0.0007839800000000 ] - [ 0.0009774300000000, 0.0005462700000000, 0.0025410100000000 ] - [ 0.0003191200000000, -0.0003550600000000, 0.0002635800000000 ] - [ -0.0030405800000000, 0.0085986300000000, -0.0074376400000000 ] - [ 0.0008104400000000, -0.0000769800000000, -0.0002076400000000 ] - [ 0.0000030900000000, -0.0002097000000000, -0.0004384900000000 ] - [ -0.0004838600000000, -0.0001045400000000, -0.0003929000000000 ] - [ -0.0000465700000000, -0.0001473700000000, -0.0003252600000000 ] - [ 0.0021958600000000, -0.0012641000000000, 0.0009956700000000 ] - [ 0.2940474800000000, 0.1547169800000000, -0.0973161000000000 ] - [ -0.0006176200000000, 0.0015364600000000, 0.0017653800000000 ] - [ -0.0040182300000000, 0.0008274000000000, -0.0028833100000000 ] - [ 0.0005597900000000, -0.0001937900000000, 0.0002166800000000 ] - [ -0.0000124500000000, 0.0003759200000000, 0.0000834400000000 ] - [ -0.0014587800000000, 0.0007415300000000, -0.0001430000000000 ] - [ -0.0008626900000000, 0.0004474600000000, -0.0011728000000000 ] - [ -0.0013424200000000, 0.0002971700000000, 0.0012706200000000 ] - [ -0.0021470600000000, 0.0007938600000000, -0.0021088100000000 ] - [ -0.0000247700000000, -0.0006537700000000, 0.0016238600000000 ] - [ 0.0008171800000000, -0.0001040600000000, 0.0005483300000000 ] - [ -0.0003021800000000, -0.0002850100000000, 0.0004508300000000 ] - [ 0.0001180900000000, 0.0001487000000000, 0.0008424200000000 ] - [ -0.0004756400000000, -0.0001289500000000, 0.0000242500000000 ] - [ -0.0013072100000000, 0.0006231900000000, -0.0004903200000000 ] - [ -0.0017102000000000, -0.0006213600000000, 0.0027541600000000 ] - [ -0.0027696100000000, -0.0001582200000000, -0.0004309400000000 ] - [ -0.0009463400000000, 0.0000056700000000, 0.0002612400000000 ] - [ 0.0012948000000000, -0.0059356400000000, 0.0044363200000000 ] - [ -0.0002236600000000, 0.0006936100000000, 0.0002246600000000 ] - [ 0.0019142400000000, -0.0001727000000000, 0.0011076000000000 ] - [ -0.0008252700000000, -0.0013547400000000, 0.0017860500000000 ] - [ -0.0008098000000000, -0.0005636900000000, 0.0005755500000000 ] - [ -0.0202970800000000, -0.0044216900000000, 0.0107837900000000 ] - [ 0.0020962300000000, -0.0001111300000000, 0.0009250600000000 ] - [ -0.0006900900000000, -0.0007195400000000, -0.0002403200000000 ] - [ 0.0050028700000000, 0.0027401000000000, -0.0041954400000000 ] - [ -0.0008435900000000, -0.0003725200000000, -0.0009072900000000 ] - [ -0.0026451400000000, -0.0128290300000000, -0.0007239100000000 ] - [ -0.0037681800000000, -0.0007837400000000, 0.0005979000000000 ] - [ -0.0424930000000000, -0.0052253100000000, -0.0001407200000000 ] - [ -0.0005912600000000, 0.0001934200000000, 0.0001849700000000 ] - [ 0.0000501300000000, -0.0001614200000000, -0.0011742800000000 ] - [ -0.0006364100000000, -0.0002527300000000, -0.0012396700000000 ] - [ -0.0025373300000000, -0.0008140300000000, -0.0008719700000000 ] - [ -0.0013825500000000, 0.0004885400000000, -0.0063297700000000 ] - [ -0.0002481600000000, 0.0006920500000000, -0.0000057100000000 ] - [ -0.0028404400000000, -0.0003245700000000, -0.0004017900000000 ] - [ 0.0009127200000000, 0.0006567900000000, 0.0000996000000000 ] - [ -0.0005781600000000, 0.0000561500000000, 0.0003516700000000 ] - [ -0.0006967200000000, 0.0004351900000000, 0.0009287000000000 ] - [ -0.0009336600000000, 0.0003529600000000, -0.0004222000000000 ] - [ -0.0010762000000000, -0.0003423300000000, 0.0015968500000000 ] - [ 0.0005921900000000, -0.0005673700000000, 0.0006736600000000 ] - [ -0.0005829800000000, -0.0005161400000000, -0.0008417700000000 ] - [ 0.0005090000000000, -0.0001064600000000, 0.0001634600000000 ] - [ -0.0028747800000000, -0.0009153300000000, -0.0002882000000000 ] - [ 0.0020705900000000, -0.0009392500000000, -0.0018005400000000 ] - [ -0.0017175700000000, -0.0003783900000000, -0.0008319300000000 ] - [ 0.0010447900000000, -0.0000509000000000, 0.0003576900000000 ] - [ 0.0020806600000000, 0.0013650500000000, -0.0007117700000000 ] - [ -0.0013634100000000, 0.0004824000000000, 0.0004385900000000 ] - [ -0.0002650100000000, -0.0001005300000000, -0.0002342700000000 ] - [ -0.0007138200000000, 0.0007393900000000, 0.0004142700000000 ] - [ -0.0036502800000000, 0.0015865100000000, 0.0021734100000000 ] - [ 0.0003221700000000, -0.0007227000000000, 0.0010964900000000 ] - [ -0.0012667000000000, -0.0124024300000000, 0.0204230200000000 ] - [ -0.0024690900000000, -0.0000729200000000, 0.0002665200000000 ] - [ -0.0040645700000000, 0.0012107000000000, -0.0018481600000000 ] - [ 0.0083856200000000, 0.0020961500000000, 0.0078285200000000 ] - [ -0.0009823700000000, -0.0006630800000000, 0.0000331300000000 ] - [ -0.0007369300000000, 0.0002581900000000, 0.0015855200000000 ] - [ -0.0001954200000000, 0.0004699500000000, -0.0031150900000000 ] - [ -0.0008451700000000, 0.0002942100000000, 0.0001919200000000 ] - [ 0.0013768900000000, -0.0005375800000000, 0.0005702500000000 ] - [ 0.0043070700000000, -0.0008752700000000, -0.0041173300000000 ] - [ -0.0024611400000000, 0.0020599400000000, -0.0002800400000000 ] - [ 0.0008821100000000, -0.0011033000000000, 0.0017688700000000 ] - [ -0.0001898200000000, 0.0001725100000000, -0.0004918500000000 ] - [ 0.0005227200000000, -0.0172886200000000, 0.0006807400000000 ] - [ 0.0003518500000000, -0.0002299700000000, 0.0010995200000000 ]- atom: 66 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001700200000000, 0.0001342400000000, 0.0000772500000000 ] - [ 0.0004010300000000, 0.0000209400000000, 0.0003479700000000 ] - [ -0.0001049500000000, 0.0011013100000000, -0.0001508100000000 ] - [ -0.0004816300000000, 0.0000436400000000, -0.0002261100000000 ] - [ 0.0001861800000000, -0.0000227600000000, 0.0005158500000000 ] - [ -0.0001582800000000, 0.0000472000000000, 0.0003475100000000 ] - [ -0.0004898100000000, -0.0001311100000000, -0.0000165900000000 ] - [ -0.0002413200000000, -0.0000603000000000, 0.0001634800000000 ] - [ -0.0015869600000000, -0.0003995000000000, -0.0021712100000000 ] - [ -0.0000539700000000, -0.0000000100000000, -0.0003649900000000 ] - [ -0.0003632700000000, -0.0000452400000000, -0.0004438800000000 ] - [ -0.0004992200000000, 0.0002060600000000, -0.0003982400000000 ] - [ 0.0001697700000000, 0.0000710500000000, 0.0001259200000000 ] - [ 0.0036675300000000, -0.0030772900000000, -0.0035026100000000 ] - [ 0.0018578200000000, 0.0037651100000000, 0.0008332000000000 ] - [ -0.0001473500000000, -0.0000916300000000, 0.0009517700000000 ] - [ -0.0006028400000000, -0.0000694900000000, 0.0001987400000000 ] - [ 0.0001583800000000, -0.0000885900000000, 0.0000525800000000 ] - [ 0.0042835200000000, -0.0092776900000000, -0.0003291000000000 ] - [ 0.0002692100000000, 0.0000561200000000, -0.0001372500000000 ] - [ -0.0014315200000000, 0.0002527400000000, -0.0002243700000000 ] - [ -0.0002947000000000, -0.0002067900000000, -0.0006586200000000 ] - [ -0.0004447100000000, 0.0004287100000000, 0.0006341300000000 ] - [ 0.0006707500000000, 0.0000615300000000, 0.0003486700000000 ] - [ -0.0006430800000000, 0.0002906200000000, 0.0003953400000000 ] - [ 0.0038206200000000, 0.0229751300000000, -0.0133057900000000 ] - [ 0.0045719200000000, 0.0026281800000000, -0.0018774500000000 ] - [ -0.0030269000000000, -0.0002869400000000, -0.0003512600000000 ] - [ 0.0008613800000000, -0.0001055300000000, 0.0005266400000000 ] - [ -0.0000625200000000, 0.0003227300000000, 0.0019606700000000 ] - [ -0.0001194000000000, 0.0000020600000000, -0.0008115900000000 ] - [ -0.0012623200000000, -0.0001754000000000, -0.0005785600000000 ] - [ -0.0007278700000000, -0.0006650000000000, -0.0003346800000000 ] - [ 0.0013148200000000, -0.0031529200000000, -0.0002624200000000 ] - [ 0.0965847600000000, 0.1214261700000000, -0.0389604800000000 ] - [ -0.0012126700000000, 0.0008904100000000, 0.0004495300000000 ] - [ -0.0000410900000000, -0.0000392100000000, 0.0001444000000000 ] - [ -0.0013481900000000, 0.0002963200000000, -0.0008475100000000 ] - [ -0.0002634000000000, -0.0006547500000000, 0.0002941700000000 ] - [ 0.0007722100000000, 0.0006255200000000, -0.0007668900000000 ] - [ 0.0004510800000000, -0.0007378700000000, 0.0008153500000000 ] - [ -0.0003098300000000, 0.0006559200000000, 0.0003490400000000 ] - [ -0.0019422000000000, 0.0000494200000000, 0.0011556900000000 ] - [ -0.0014725300000000, -0.0022282200000000, 0.0015917200000000 ] - [ -0.0023636900000000, -0.0021552400000000, 0.0000200300000000 ] - [ 0.0028267100000000, 0.0018623300000000, 0.0000048200000000 ] - [ -0.0094821800000000, -0.0062179100000000, -0.0069535800000000 ] - [ -0.0001266500000000, -0.0000600800000000, 0.0005484600000000 ] - [ 0.0000770500000000, 0.0001517600000000, 0.0000464600000000 ] - [ -0.0001121900000000, -0.0001079900000000, 0.0002641200000000 ] - [ -0.0000686600000000, -0.0001121000000000, 0.0003291400000000 ] - [ 0.0000053800000000, 0.0001419200000000, 0.0001035000000000 ] - [ -0.0005619400000000, 0.0020464300000000, -0.0003149200000000 ] - [ -0.0001056900000000, 0.0000735600000000, -0.0001976300000000 ] - [ -0.0000493300000000, -0.0005853900000000, 0.0000689200000000 ] - [ 0.0001758500000000, -0.0006089900000000, 0.0004957200000000 ] - [ -0.0023825000000000, -0.0003722200000000, -0.0001142600000000 ] - [ 0.0010373600000000, -0.0006739900000000, -0.0008063400000000 ] - [ -0.0002449000000000, -0.0000541600000000, -0.0002068900000000 ] - [ 0.0015657500000000, -0.0055514800000000, 0.0047109700000000 ] - [ -0.0004158300000000, -0.0001175000000000, -0.0002639900000000 ] - [ -0.0001368100000000, 0.0003144600000000, 0.0001777400000000 ] - [ 0.0001383200000000, 0.0001808300000000, 0.0007847100000000 ] - [ 0.0000749900000000, -0.0000762000000000, -0.0001646600000000 ] - [ -0.0015176500000000, 0.0010635400000000, -0.0002904600000000 ] - [ -0.1489533400000000, -0.1842793300000000, 0.0870345600000000 ] - [ -0.0005478000000000, 0.0013001900000000, 0.0002905100000000 ] - [ 0.0004935000000000, -0.0000903500000000, 0.0003133200000000 ] - [ -0.0002272300000000, -0.0005462900000000, -0.0006934800000000 ] - [ 0.0001258700000000, 0.0004686700000000, -0.0006690100000000 ] - [ 0.0005807500000000, 0.0003815400000000, 0.0003404300000000 ] - [ -0.0014720200000000, 0.0004151100000000, 0.0001032500000000 ] - [ 0.0012382400000000, -0.0004820900000000, -0.0005227200000000 ] - [ -0.0003983600000000, 0.0053086100000000, 0.0015208500000000 ] - [ 0.0001301000000000, -0.0000476200000000, -0.0014619500000000 ] - [ -0.0002281400000000, 0.0001283300000000, -0.0000392300000000 ] - [ 0.0002137800000000, -0.0005656600000000, -0.0000533100000000 ] - [ -0.0001814700000000, 0.0007305500000000, -0.0003021000000000 ] - [ -0.0001938400000000, 0.0001223300000000, -0.0004684000000000 ] - [ 0.0005010300000000, -0.0000565600000000, -0.0001892600000000 ] - [ 0.0009831000000000, -0.0003845600000000, -0.0002412500000000 ] - [ 0.0020657100000000, 0.0004748100000000, 0.0001954000000000 ] - [ 0.0002787500000000, -0.0000750800000000, 0.0001573100000000 ] - [ -0.0004366600000000, 0.0034186200000000, -0.0024496400000000 ] - [ 0.0007042700000000, 0.0008186600000000, 0.0004665200000000 ] - [ -0.0016841000000000, 0.0027146500000000, 0.0018305900000000 ] - [ 0.0006452200000000, -0.0000476100000000, -0.0002250000000000 ] - [ 0.0008818900000000, -0.0008117000000000, 0.0003353600000000 ] - [ 0.0065512000000000, -0.0013560400000000, -0.0032975700000000 ] - [ -0.0006794100000000, -0.0004407300000000, -0.0001210100000000 ] - [ -0.0003781500000000, -0.0007717600000000, -0.0006030000000000 ] - [ -0.0065764600000000, 0.0110658400000000, -0.0099423100000000 ] - [ 0.0004263100000000, -0.0005095700000000, -0.0000418800000000 ] - [ 0.0134964200000000, 0.0205431900000000, 0.0020097300000000 ] - [ 0.0005271000000000, -0.0001508300000000, 0.0000613600000000 ] - [ -0.0030526400000000, -0.0113006300000000, 0.0008756800000000 ] - [ 0.0002921900000000, -0.0000704300000000, -0.0004928000000000 ] - [ -0.0007580700000000, -0.0007139200000000, 0.0006321200000000 ] - [ -0.0000814300000000, 0.0003691800000000, 0.0004502000000000 ] - [ 0.0006923200000000, 0.0000071900000000, -0.0001409800000000 ] - [ -0.0005459000000000, 0.0005040000000000, 0.0007213300000000 ] - [ -0.0000185500000000, 0.0004508100000000, 0.0001753700000000 ] - [ 0.0009259500000000, 0.0011721500000000, -0.0002634000000000 ] - [ 0.0003405000000000, 0.0009049300000000, -0.0008369100000000 ] - [ 0.0001807100000000, -0.0001619700000000, 0.0001029800000000 ] - [ 0.0003229600000000, 0.0005468100000000, -0.0004802000000000 ] - [ 0.0005346800000000, 0.0003133200000000, 0.0000740500000000 ] - [ 0.0003660700000000, -0.0002605400000000, 0.0002695100000000 ] - [ -0.0000999400000000, -0.0002229800000000, -0.0001488800000000 ] - [ 0.0000377500000000, -0.0001856900000000, 0.0000348300000000 ] - [ -0.0002089500000000, 0.0000451700000000, 0.0001670300000000 ] - [ 0.0010378900000000, 0.0007444600000000, 0.0007147900000000 ] - [ -0.0008198500000000, -0.0001252300000000, -0.0000462300000000 ] - [ 0.0002789900000000, -0.0003260500000000, 0.0002152600000000 ] - [ -0.0003738800000000, -0.0001035800000000, -0.0007029200000000 ] - [ -0.0004720900000000, 0.0002948500000000, 0.0008925000000000 ] - [ -0.0000815700000000, 0.0001276900000000, -0.0001949300000000 ] - [ 0.0004138300000000, -0.0000450500000000, -0.0003323900000000 ] - [ 0.0003196200000000, 0.0003510000000000, -0.0007482500000000 ] - [ 0.0012102000000000, -0.0000301800000000, -0.0003642000000000 ] - [ 0.0002617500000000, 0.0003790400000000, 0.0001098100000000 ] - [ 0.0106761000000000, -0.0001414300000000, -0.0150526000000000 ] - [ 0.0009221700000000, 0.0000072200000000, 0.0002425300000000 ] - [ 0.0017167800000000, -0.0005267100000000, 0.0004622900000000 ] - [ -0.0023209300000000, -0.0050935400000000, -0.0009336400000000 ] - [ 0.0003221900000000, -0.0003539300000000, 0.0004502700000000 ] - [ 0.0004033000000000, -0.0001107200000000, -0.0004705300000000 ] - [ 0.0014416100000000, 0.0012951400000000, 0.0020510300000000 ] - [ 0.0000146600000000, 0.0003690100000000, -0.0004555800000000 ] - [ 0.0000076100000000, -0.0000858700000000, -0.0003457500000000 ] - [ -0.0007463400000000, -0.0010528300000000, 0.0008085800000000 ] - [ 0.0005391900000000, 0.0005303500000000, 0.0005718900000000 ] - [ 0.0012266100000000, 0.0014218600000000, -0.0024103500000000 ] - [ 0.0001795700000000, 0.0004227100000000, 0.0000533400000000 ] - [ 0.0280111900000000, 0.0298262300000000, -0.0020019100000000 ] - [ 0.0001456700000000, -0.0004236600000000, -0.0007920800000000 ]- atom: 66 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001692300000000, 0.0001315800000000, -0.0000771700000000 ] - [ -0.0003986400000000, -0.0000211000000000, -0.0003465100000000 ] - [ 0.0001056800000000, -0.0010853000000000, 0.0000333500000000 ] - [ 0.0004795200000000, -0.0000447200000000, 0.0002255300000000 ] - [ -0.0001841100000000, -0.0002371700000000, -0.0005152600000000 ] - [ 0.0001586700000000, -0.0000456400000000, -0.0002197500000000 ] - [ 0.0004868600000000, -0.0001325300000000, 0.0000165500000000 ] - [ 0.0002400000000000, 0.0000599800000000, -0.0001629400000000 ] - [ 0.0016012200000000, 0.0003834800000000, 0.0030268300000000 ] - [ 0.0000536400000000, -0.0000000400000000, -0.0004868700000000 ] - [ 0.0003587300000000, 0.0000429400000000, -0.0004062700000000 ] - [ 0.0004970100000000, -0.0002027200000000, 0.0005212400000000 ] - [ -0.0001708400000000, -0.0000683800000000, -0.0002511300000000 ] - [ -0.0036775400000000, 0.0030180400000000, 0.0034993700000000 ] - [ -0.0018225500000000, -0.0034773100000000, -0.0007564800000000 ] - [ 0.0001466600000000, 0.0000910200000000, -0.0000979500000000 ] - [ -0.0004392700000000, -0.0000481400000000, -0.0000931100000000 ] - [ 0.0008810800000000, -0.0000304700000000, -0.0001559600000000 ] - [ -0.0032213500000000, 0.0091459000000000, 0.0004176900000000 ] - [ 0.0007709500000000, 0.0000615900000000, 0.0000319300000000 ] - [ 0.0003618800000000, -0.0001433200000000, 0.0003328800000000 ] - [ -0.0007459400000000, 0.0000878600000000, 0.0005485400000000 ] - [ -0.0005895500000000, -0.0003129900000000, -0.0007370200000000 ] - [ 0.0003711400000000, 0.0000562700000000, -0.0002452200000000 ] - [ 0.0006397800000000, -0.0002878200000000, -0.0003935200000000 ] - [ -0.0031790700000000, -0.0221517700000000, 0.0119149200000000 ] - [ -0.0045559100000000, -0.0025400300000000, 0.0035299200000000 ] - [ 0.0030207000000000, 0.0002963700000000, -0.0013526500000000 ] - [ -0.0008581200000000, 0.0001076900000000, -0.0005260200000000 ] - [ 0.0000626900000000, -0.0003189600000000, -0.0002455600000000 ] - [ 0.0001198600000000, -0.0000003000000000, -0.0009013100000000 ] - [ 0.0012481900000000, 0.0001818400000000, 0.0005778800000000 ] - [ 0.0007988000000000, -0.0006093200000000, 0.0004122300000000 ] - [ -0.0005456400000000, 0.0029665500000000, 0.0007387300000000 ] - [ -0.1007452200000000, -0.1217077800000000, 0.0404186100000000 ] - [ 0.0012810700000000, 0.0003814100000000, -0.0003676800000000 ] - [ 0.0008052500000000, -0.0001107000000000, -0.0006540200000000 ] - [ 0.0021033600000000, -0.0001486100000000, 0.0003345300000000 ] - [ -0.0004955900000000, 0.0005018300000000, 0.0002201800000000 ] - [ -0.0008417600000000, 0.0006473400000000, 0.0008474500000000 ] - [ -0.0003754600000000, -0.0005370400000000, -0.0008897600000000 ] - [ 0.0002316000000000, 0.0006171900000000, -0.0004292300000000 ] - [ 0.0011710200000000, 0.0000958300000000, -0.0006314900000000 ] - [ 0.0013857100000000, 0.0009503700000000, -0.0014963500000000 ] - [ 0.0023008600000000, 0.0008797200000000, -0.0001028800000000 ] - [ -0.0021098900000000, -0.0017545500000000, 0.0004907400000000 ] - [ 0.0086588900000000, 0.0060584400000000, 0.0063979800000000 ] - [ -0.0006362900000000, 0.0002076400000000, -0.0010591900000000 ] - [ 0.0001225100000000, 0.0001178900000000, 0.0000367600000000 ] - [ 0.0003120900000000, -0.0001663600000000, -0.0001843500000000 ] - [ 0.0001534000000000, -0.0000590100000000, 0.0001509900000000 ] - [ 0.0000789400000000, 0.0000269300000000, 0.0003743400000000 ] - [ 0.0006564300000000, -0.0018628000000000, -0.0001661600000000 ] - [ 0.0000206700000000, 0.0000975700000000, -0.0002821400000000 ] - [ -0.0001499800000000, 0.0003130000000000, 0.0000153300000000 ] - [ 0.0000247700000000, 0.0003336300000000, -0.0005735500000000 ] - [ 0.0022719200000000, 0.0002164900000000, 0.0005716300000000 ] - [ -0.0008349700000000, 0.0009264200000000, 0.0007094100000000 ] - [ 0.0000439600000000, -0.0002173500000000, 0.0001242400000000 ] - [ -0.0017332000000000, 0.0057561000000000, -0.0045679500000000 ] - [ 0.0003283700000000, -0.0000537500000000, -0.0002157900000000 ] - [ -0.0000631100000000, -0.0000423200000000, -0.0002589300000000 ] - [ -0.0002227300000000, -0.0000087500000000, -0.0003031400000000 ] - [ 0.0000102600000000, -0.0000948600000000, -0.0003151300000000 ] - [ 0.0006567800000000, -0.0005754600000000, 0.0001930100000000 ] - [ 0.1528637400000000, 0.1847391900000000, -0.0865983600000000 ] - [ -0.0004104300000000, 0.0002007800000000, 0.0004951200000000 ] - [ -0.0004543300000000, 0.0000136900000000, -0.0007723200000000 ] - [ 0.0001983700000000, -0.0002727000000000, 0.0000896100000000 ] - [ -0.0000951000000000, 0.0003506600000000, 0.0000652300000000 ] - [ -0.0004043700000000, 0.0005856300000000, -0.0000481900000000 ] - [ 0.0008967200000000, -0.0004813000000000, 0.0003469800000000 ] - [ -0.0003761300000000, 0.0000005500000000, 0.0004150500000000 ] - [ 0.0002511400000000, -0.0062455100000000, -0.0012076900000000 ] - [ -0.0002769300000000, -0.0009145400000000, 0.0007345100000000 ] - [ 0.0002344400000000, 0.0001258100000000, 0.0005777700000000 ] - [ -0.0000406700000000, -0.0004002800000000, 0.0003445600000000 ] - [ 0.0000073500000000, 0.0002378600000000, 0.0005917000000000 ] - [ -0.0003695800000000, -0.0000585300000000, 0.0000138900000000 ] - [ -0.0004910300000000, 0.0003097800000000, -0.0003492000000000 ] - [ -0.0005863300000000, -0.0002801000000000, 0.0005845900000000 ] - [ -0.0026024400000000, -0.0005462500000000, -0.0006526200000000 ] - [ -0.0002946300000000, 0.0000071400000000, 0.0003162800000000 ] - [ 0.0006033100000000, -0.0043291900000000, 0.0021285100000000 ] - [ 0.0002573300000000, 0.0006807400000000, 0.0003263300000000 ] - [ 0.0012874900000000, -0.0020380100000000, -0.0014349900000000 ] - [ -0.0006133300000000, -0.0007713800000000, 0.0008235800000000 ] - [ 0.0000804800000000, -0.0006853200000000, 0.0004564900000000 ] - [ -0.0065235800000000, 0.0012454100000000, 0.0037538800000000 ] - [ 0.0003022700000000, -0.0002219700000000, 0.0004904400000000 ] - [ -0.0005810600000000, -0.0007255900000000, -0.0001900200000000 ] - [ 0.0064560400000000, -0.0108920600000000, 0.0093203000000000 ] - [ -0.0002760400000000, -0.0004545400000000, -0.0006738700000000 ] - [ -0.0124446500000000, -0.0197513600000000, -0.0019195600000000 ] - [ -0.0013764000000000, -0.0003282100000000, 0.0000396800000000 ] - [ 0.0032932000000000, 0.0121938000000000, -0.0014645500000000 ] - [ -0.0002735000000000, 0.0001372100000000, 0.0000182700000000 ] - [ -0.0002036700000000, -0.0007815500000000, 0.0001611600000000 ] - [ 0.0001085800000000, 0.0004484300000000, 0.0001527100000000 ] - [ -0.0006793000000000, -0.0002598600000000, -0.0003963500000000 ] - [ 0.0003898300000000, 0.0004702100000000, -0.0014364300000000 ] - [ -0.0001277300000000, 0.0005146300000000, 0.0005425200000000 ] - [ -0.0018886300000000, 0.0003351500000000, -0.0005276100000000 ] - [ 0.0006198300000000, 0.0005949000000000, 0.0000422700000000 ] - [ -0.0001861900000000, -0.0000929100000000, 0.0004353200000000 ] - [ -0.0004941000000000, 0.0004230000000000, 0.0001869100000000 ] - [ 0.0003218100000000, 0.0001654500000000, -0.0001751600000000 ] - [ -0.0005149300000000, -0.0007021700000000, 0.0004518200000000 ] - [ 0.0002475500000000, -0.0007410800000000, 0.0008622200000000 ] - [ -0.0002117300000000, -0.0007762200000000, -0.0003272900000000 ] - [ 0.0002245700000000, 0.0000225300000000, 0.0003074400000000 ] - [ -0.0010446000000000, -0.0004902900000000, -0.0001755300000000 ] - [ 0.0008080600000000, -0.0001291000000000, -0.0004924000000000 ] - [ -0.0006639900000000, -0.0003395800000000, -0.0005685200000000 ] - [ 0.0003557800000000, 0.0000348800000000, 0.0002281900000000 ] - [ 0.0006488100000000, 0.0006926700000000, -0.0011936300000000 ] - [ -0.0007744600000000, 0.0003526600000000, 0.0002965600000000 ] - [ 0.0001479900000000, -0.0000187500000000, -0.0001228100000000 ] - [ -0.0001716100000000, 0.0006138700000000, 0.0000282300000000 ] - [ -0.0012350800000000, 0.0008486600000000, 0.0009644200000000 ] - [ 0.0002986600000000, -0.0004378300000000, 0.0003513100000000 ] - [ -0.0105780800000000, 0.0013541700000000, 0.0157564000000000 ] - [ -0.0009335000000000, 0.0000594800000000, 0.0002298800000000 ] - [ -0.0011483300000000, 0.0005882200000000, -0.0009152900000000 ] - [ 0.0014736300000000, 0.0046356400000000, 0.0009541400000000 ] - [ -0.0003487900000000, -0.0004646100000000, 0.0001541900000000 ] - [ -0.0009636200000000, 0.0001737400000000, 0.0009210800000000 ] - [ -0.0010453700000000, -0.0006300900000000, -0.0023880100000000 ] - [ -0.0004024600000000, 0.0002972700000000, 0.0000991500000000 ] - [ 0.0008467900000000, -0.0003937500000000, 0.0004482700000000 ] - [ 0.0013082900000000, 0.0011158100000000, -0.0003422700000000 ] - [ -0.0005262300000000, -0.0013731700000000, -0.0011711300000000 ] - [ -0.0012245200000000, -0.0011665600000000, 0.0018547000000000 ] - [ 0.0002082300000000, 0.0002436900000000, 0.0002991700000000 ] - [ -0.0277158400000000, -0.0320383000000000, 0.0012014200000000 ] - [ 0.0002395900000000, -0.0002421400000000, 0.0004372500000000 ]- atom: 66 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000223800000000, 0.0001361300000000, -0.0002630900000000 ] - [ -0.0005299700000000, -0.0000499000000000, -0.0014081800000000 ] - [ 0.0023525700000000, -0.0015370800000000, 0.0002914800000000 ] - [ 0.0001801200000000, -0.0000102000000000, 0.0003868900000000 ] - [ 0.0003296200000000, 0.0005971400000000, -0.0016750600000000 ] - [ 0.0003546100000000, -0.0000143100000000, -0.0004804500000000 ] - [ 0.0003651100000000, -0.0001875600000000, 0.0002537700000000 ] - [ 0.0002024900000000, 0.0000525200000000, -0.0004009000000000 ] - [ -0.0006807100000000, 0.0001560400000000, 0.0018062200000000 ] - [ -0.0001201500000000, 0.0000220100000000, -0.0009800400000000 ] - [ 0.0005013800000000, -0.0002208000000000, 0.0002048000000000 ] - [ -0.0004082900000000, -0.0002139100000000, 0.0006204700000000 ] - [ -0.0006865800000000, 0.0002943600000000, -0.0008373700000000 ] - [ 0.0004545100000000, -0.0028048400000000, 0.0015592000000000 ] - [ -0.0011960900000000, 0.0005913400000000, 0.0083337500000000 ] - [ 0.0006257200000000, 0.0000223600000000, -0.0008756000000000 ] - [ -0.0004816600000000, -0.0000700600000000, -0.0004934700000000 ] - [ 0.0008847500000000, -0.0000516300000000, -0.0001625300000000 ] - [ 0.0002909700000000, 0.0001195400000000, 0.0029914900000000 ] - [ 0.0004840200000000, 0.0000611900000000, 0.0000216400000000 ] - [ 0.0000963900000000, -0.0000621300000000, 0.0006920300000000 ] - [ -0.0012411400000000, 0.0000275800000000, -0.0000915300000000 ] - [ 0.0014306600000000, -0.0003979300000000, -0.0013200100000000 ] - [ 0.0004202800000000, -0.0000167000000000, -0.0016762200000000 ] - [ 0.0006164900000000, -0.0002263800000000, -0.0010541800000000 ] - [ -0.0042252400000000, -0.0130549700000000, 0.0331259400000000 ] - [ -0.0049434300000000, -0.0012985700000000, 0.0056311200000000 ] - [ 0.0040175400000000, 0.0014920400000000, 0.0005332800000000 ] - [ -0.0009459400000000, 0.0001642800000000, -0.0037286100000000 ] - [ 0.0009334800000000, 0.0000400400000000, -0.0023438400000000 ] - [ -0.0004325600000000, -0.0001680900000000, -0.0022954600000000 ] - [ 0.0004956300000000, 0.0000545500000000, 0.0010134600000000 ] - [ 0.0000215100000000, -0.0006512800000000, 0.0004906500000000 ] - [ 0.0004644600000000, 0.0050334900000000, -0.0021289800000000 ] - [ -0.0551145800000000, -0.0380891900000000, 0.0826821700000000 ] - [ 0.0014931500000000, 0.0002450600000000, -0.0006318200000000 ] - [ 0.0006305600000000, -0.0002131500000000, -0.0014193300000000 ] - [ 0.0014464400000000, -0.0002508700000000, 0.0012911500000000 ] - [ -0.0016954200000000, 0.0001937600000000, -0.0003522100000000 ] - [ -0.0028080300000000, 0.0009896300000000, -0.0020733900000000 ] - [ -0.0002239700000000, -0.0005851400000000, -0.0039807500000000 ] - [ -0.0000284800000000, 0.0006332800000000, -0.0018369500000000 ] - [ 0.0024487000000000, 0.0002484500000000, -0.0001160600000000 ] - [ 0.0025702800000000, -0.0003047600000000, -0.0020082400000000 ] - [ 0.0005684900000000, 0.0000305900000000, 0.0019026800000000 ] - [ -0.0138807000000000, -0.0051490000000000, -0.0062541400000000 ] - [ 0.0004418800000000, 0.0009444200000000, 0.0049069100000000 ] - [ -0.0004151700000000, 0.0000998000000000, -0.0035878700000000 ] - [ -0.0000296900000000, 0.0003983800000000, -0.0003774700000000 ] - [ 0.0003913700000000, 0.0003203900000000, 0.0004587900000000 ] - [ 0.0003447000000000, -0.0000911700000000, 0.0001110100000000 ] - [ -0.0002923300000000, 0.0000430800000000, 0.0004419700000000 ] - [ 0.0016714600000000, -0.0009562200000000, 0.0020039300000000 ] - [ 0.0000094300000000, 0.0001058000000000, -0.0003912400000000 ] - [ -0.0002329000000000, -0.0019091900000000, -0.0021024400000000 ] - [ 0.0000666700000000, 0.0007465100000000, -0.0012145000000000 ] - [ 0.0014629700000000, -0.0006567100000000, -0.0004189200000000 ] - [ -0.0008162000000000, 0.0022263500000000, 0.0019921900000000 ] - [ -0.0000966500000000, -0.0004879100000000, 0.0004530700000000 ] - [ -0.0050005600000000, 0.0118667300000000, -0.0099140500000000 ] - [ 0.0000784300000000, -0.0000621400000000, -0.0000897500000000 ] - [ -0.0000506900000000, -0.0002805000000000, -0.0005626800000000 ] - [ -0.0000383400000000, -0.0001186200000000, -0.0008621600000000 ] - [ 0.0000377900000000, -0.0001010100000000, -0.0005667600000000 ] - [ 0.0012185800000000, -0.0013145300000000, 0.0018616700000000 ] - [ 0.0950820900000000, 0.0858762100000000, -0.1576908000000000 ] - [ -0.0015626200000000, 0.0012434600000000, 0.0006974600000000 ] - [ -0.0001107900000000, 0.0001500100000000, -0.0012870700000000 ] - [ 0.0004502200000000, -0.0000109400000000, 0.0013237100000000 ] - [ -0.0001139300000000, 0.0001791200000000, 0.0009515500000000 ] - [ -0.0001510900000000, 0.0007439600000000, -0.0004421300000000 ] - [ 0.0014610800000000, -0.0005352000000000, 0.0004973200000000 ] - [ -0.0006332300000000, 0.0000397200000000, 0.0005111600000000 ] - [ -0.0000229700000000, -0.0020281900000000, -0.0024084900000000 ] - [ -0.0004853500000000, -0.0009387000000000, 0.0014804900000000 ] - [ -0.0002737800000000, 0.0004358700000000, 0.0020241700000000 ] - [ -0.0000043000000000, -0.0002808800000000, 0.0006915700000000 ] - [ -0.0000395000000000, 0.0002112900000000, 0.0014858600000000 ] - [ -0.0007819900000000, -0.0003324000000000, 0.0010966500000000 ] - [ -0.0002164700000000, 0.0002064800000000, -0.0002340900000000 ] - [ -0.0008858400000000, -0.0002313800000000, -0.0000961300000000 ] - [ -0.0001661300000000, -0.0012490900000000, -0.0020755500000000 ] - [ -0.0000811400000000, 0.0000392500000000, 0.0006544500000000 ] - [ 0.0009412700000000, -0.0079004100000000, 0.0064889100000000 ] - [ 0.0005053000000000, 0.0006970600000000, 0.0004197100000000 ] - [ -0.0006452000000000, 0.0015444200000000, 0.0008603100000000 ] - [ -0.0013274800000000, -0.0004976200000000, 0.0004639800000000 ] - [ 0.0000431000000000, -0.0006324100000000, 0.0004035700000000 ] - [ -0.0116822500000000, -0.0028626500000000, 0.0022310600000000 ] - [ 0.0027156700000000, -0.0004065800000000, 0.0048529400000000 ] - [ -0.0005669700000000, -0.0005787200000000, 0.0003016000000000 ] - [ 0.0047779500000000, -0.0084903200000000, 0.0043265200000000 ] - [ 0.0000422200000000, -0.0002966900000000, -0.0009068100000000 ] - [ -0.0016969500000000, -0.0029452200000000, -0.0052218000000000 ] - [ -0.0008475400000000, -0.0001360000000000, -0.0004746300000000 ] - [ 0.0004218900000000, 0.0015013800000000, -0.0145949300000000 ] - [ -0.0005962400000000, 0.0001259000000000, 0.0004492000000000 ] - [ 0.0002107000000000, -0.0012643100000000, 0.0011390300000000 ] - [ 0.0012630400000000, 0.0010057500000000, 0.0011838600000000 ] - [ -0.0005905200000000, -0.0002526400000000, -0.0004355600000000 ] - [ 0.0023986100000000, -0.0009198300000000, 0.0002829300000000 ] - [ 0.0001508700000000, 0.0003969900000000, 0.0014984500000000 ] - [ -0.0008205800000000, 0.0005972100000000, -0.0011325200000000 ] - [ 0.0005494100000000, 0.0004996600000000, 0.0013064100000000 ] - [ 0.0000776500000000, -0.0002932200000000, 0.0009334400000000 ] - [ -0.0008310100000000, 0.0001409300000000, -0.0001368600000000 ] - [ 0.0008074300000000, 0.0003441300000000, -0.0003085900000000 ] - [ -0.0005192700000000, -0.0007335700000000, -0.0008696300000000 ] - [ 0.0003220100000000, 0.0002421500000000, 0.0034196800000000 ] - [ 0.0002789500000000, -0.0007148300000000, 0.0000316100000000 ] - [ 0.0005126600000000, 0.0000159300000000, 0.0011018400000000 ] - [ -0.0005528400000000, -0.0003151700000000, -0.0005012800000000 ] - [ 0.0015297600000000, -0.0003506900000000, 0.0012383300000000 ] - [ -0.0003808700000000, -0.0004137600000000, -0.0011290500000000 ] - [ 0.0000295100000000, -0.0000439700000000, 0.0013011700000000 ] - [ 0.0019358000000000, 0.0033234100000000, 0.0011982700000000 ] - [ -0.0007958400000000, 0.0004511400000000, 0.0006684700000000 ] - [ 0.0003988700000000, 0.0001200200000000, 0.0003902000000000 ] - [ -0.0002174900000000, 0.0007582700000000, 0.0003779100000000 ] - [ -0.0016677700000000, 0.0009392400000000, 0.0009653500000000 ] - [ -0.0013440300000000, -0.0015341500000000, 0.0020486300000000 ] - [ -0.0255018900000000, -0.0235213400000000, 0.0310887800000000 ] - [ -0.0005539200000000, 0.0000243900000000, -0.0001567200000000 ] - [ -0.0011503100000000, 0.0006099500000000, -0.0016259800000000 ] - [ 0.0039918800000000, 0.0040047700000000, 0.0261699900000000 ] - [ 0.0002087000000000, -0.0003189500000000, 0.0003552400000000 ] - [ -0.0019372200000000, 0.0000258600000000, 0.0011893000000000 ] - [ 0.0009640400000000, 0.0012224100000000, -0.0026224400000000 ] - [ -0.0003721100000000, 0.0002379100000000, 0.0005542700000000 ] - [ 0.0010415000000000, -0.0006543500000000, 0.0018780400000000 ] - [ 0.0042034500000000, -0.0001326300000000, -0.0008619700000000 ] - [ 0.0004127000000000, -0.0006494000000000, -0.0019006700000000 ] - [ -0.0020344600000000, -0.0019969600000000, 0.0009303400000000 ] - [ 0.0004729400000000, 0.0003180200000000, 0.0007742000000000 ] - [ 0.0005860300000000, -0.0001211700000000, -0.0144075500000000 ] - [ -0.0004355100000000, -0.0000383100000000, 0.0021978000000000 ]- atom: 66 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0000238400000000, 0.0001287700000000, 0.0002614000000000 ] - [ 0.0005300100000000, 0.0000504900000000, 0.0014098800000000 ] - [ -0.0023468400000000, 0.0015377100000000, -0.0003966800000000 ] - [ -0.0001865500000000, 0.0000101800000000, -0.0003910800000000 ] - [ -0.0003313300000000, -0.0008693500000000, 0.0016834200000000 ] - [ -0.0003576800000000, 0.0000145100000000, 0.0006076500000000 ] - [ -0.0003699000000000, -0.0000781800000000, -0.0002506400000000 ] - [ -0.0002036000000000, -0.0000527200000000, 0.0004027500000000 ] - [ 0.0006737600000000, -0.0001620400000000, -0.0009879800000000 ] - [ 0.0001177400000000, -0.0000214600000000, 0.0001297300000000 ] - [ -0.0005053200000000, 0.0002222500000000, -0.0010605500000000 ] - [ 0.0004070800000000, 0.0002135700000000, -0.0004942200000000 ] - [ 0.0006919900000000, -0.0002967100000000, 0.0007099400000000 ] - [ -0.0004288400000000, 0.0027957100000000, -0.0016050100000000 ] - [ 0.0013481800000000, -0.0000904100000000, -0.0078147600000000 ] - [ -0.0006220300000000, -0.0000220900000000, 0.0017287600000000 ] - [ -0.0005590400000000, -0.0000477300000000, 0.0005978800000000 ] - [ 0.0001522000000000, -0.0000674200000000, 0.0000561900000000 ] - [ 0.0007658600000000, -0.0002701600000000, -0.0028766800000000 ] - [ 0.0005550600000000, 0.0000569000000000, -0.0001253500000000 ] - [ -0.0011724300000000, 0.0001760900000000, -0.0005793800000000 ] - [ 0.0001988200000000, -0.0001463400000000, -0.0000119200000000 ] - [ -0.0024882400000000, 0.0005195300000000, 0.0012198300000000 ] - [ 0.0006229100000000, 0.0001357600000000, 0.0017868400000000 ] - [ -0.0006191600000000, 0.0002279500000000, 0.0010596700000000 ] - [ 0.0051059500000000, 0.0147148800000000, -0.0346597200000000 ] - [ 0.0049594700000000, 0.0013484600000000, -0.0040241100000000 ] - [ -0.0040400700000000, -0.0014990300000000, -0.0022529600000000 ] - [ 0.0009472500000000, -0.0001676300000000, 0.0037327900000000 ] - [ -0.0009272600000000, -0.0000400000000000, 0.0040622100000000 ] - [ 0.0004276000000000, 0.0001657700000000, 0.0005876800000000 ] - [ -0.0005178300000000, -0.0000543200000000, -0.0010232200000000 ] - [ 0.0000478000000000, -0.0006230600000000, -0.0004048300000000 ] - [ 0.0003078000000000, -0.0051718800000000, 0.0026641500000000 ] - [ 0.0546779700000000, 0.0390802700000000, -0.0832584200000000 ] - [ -0.0014348300000000, 0.0010294800000000, 0.0007082900000000 ] - [ 0.0001299000000000, 0.0000638300000000, 0.0009080500000000 ] - [ -0.0006986000000000, 0.0004018200000000, -0.0018016600000000 ] - [ 0.0009287700000000, -0.0003436200000000, 0.0008509100000000 ] - [ 0.0027268500000000, 0.0002865200000000, 0.0021531100000000 ] - [ 0.0003042200000000, -0.0006873500000000, 0.0039079300000000 ] - [ -0.0000422100000000, 0.0006417400000000, 0.0017539900000000 ] - [ -0.0032064200000000, -0.0000992700000000, 0.0006518700000000 ] - [ -0.0026615100000000, -0.0009715700000000, 0.0020927300000000 ] - [ -0.0006785900000000, -0.0013131000000000, -0.0019613000000000 ] - [ 0.0148002900000000, 0.0053478600000000, 0.0067843700000000 ] - [ -0.0011900100000000, -0.0011062800000000, -0.0054080800000000 ] - [ -0.0003553100000000, 0.0000515400000000, 0.0030901900000000 ] - [ 0.0002306000000000, -0.0001223900000000, 0.0004542300000000 ] - [ -0.0001918400000000, -0.0005844700000000, -0.0003666600000000 ] - [ -0.0002595600000000, -0.0000796900000000, 0.0003699400000000 ] - [ 0.0003791500000000, 0.0001263000000000, 0.0000325900000000 ] - [ -0.0015954100000000, 0.0011378700000000, -0.0024988300000000 ] - [ -0.0000952000000000, 0.0000647600000000, -0.0000877000000000 ] - [ 0.0000336100000000, 0.0016416300000000, 0.0021895500000000 ] - [ 0.0001329700000000, -0.0010201300000000, 0.0011357000000000 ] - [ -0.0015569900000000, 0.0005018700000000, 0.0008916700000000 ] - [ 0.0010172400000000, -0.0019481800000000, -0.0020649300000000 ] - [ -0.0001044400000000, 0.0002151400000000, -0.0005333900000000 ] - [ 0.0047673200000000, -0.0115704800000000, 0.0099817500000000 ] - [ -0.0001658100000000, -0.0001084200000000, -0.0003902700000000 ] - [ -0.0001497000000000, 0.0005523700000000, 0.0004808800000000 ] - [ -0.0000459000000000, 0.0002886000000000, 0.0013391900000000 ] - [ 0.0000466900000000, -0.0000693400000000, 0.0000881300000000 ] - [ -0.0020789700000000, 0.0017935900000000, -0.0019697200000000 ] - [ -0.0954826100000000, -0.0877493300000000, 0.1598447700000000 ] - [ 0.0006077200000000, 0.0002515200000000, 0.0000971200000000 ] - [ 0.0001486100000000, -0.0002232900000000, 0.0008354500000000 ] - [ -0.0004838400000000, -0.0008099000000000, -0.0019305200000000 ] - [ 0.0001384200000000, 0.0006395900000000, -0.0015563900000000 ] - [ 0.0003288900000000, 0.0002209700000000, 0.0007336300000000 ] - [ -0.0020271600000000, 0.0004703500000000, -0.0000313100000000 ] - [ 0.0014944300000000, -0.0005220500000000, -0.0006216600000000 ] - [ -0.0001606400000000, 0.0010698900000000, 0.0026956300000000 ] - [ 0.0003403500000000, -0.0000234900000000, -0.0022042400000000 ] - [ 0.0002799800000000, -0.0001818600000000, -0.0014890000000000 ] - [ 0.0001784000000000, -0.0006852300000000, -0.0003994200000000 ] - [ -0.0001327800000000, 0.0007533900000000, -0.0011976000000000 ] - [ 0.0002239500000000, 0.0003984000000000, -0.0015577200000000 ] - [ 0.0002263500000000, 0.0000466200000000, -0.0003065900000000 ] - [ 0.0012790500000000, -0.0004322900000000, 0.0004306100000000 ] - [ -0.0004000400000000, 0.0011939400000000, 0.0016260100000000 ] - [ 0.0000671800000000, -0.0001065700000000, -0.0001818100000000 ] - [ -0.0007636400000000, 0.0069079600000000, -0.0067570900000000 ] - [ 0.0004570400000000, 0.0008016300000000, 0.0003712700000000 ] - [ 0.0002473600000000, -0.0008683300000000, -0.0005239400000000 ] - [ 0.0013651800000000, -0.0003216300000000, 0.0001392100000000 ] - [ 0.0009220700000000, -0.0008674200000000, 0.0003918200000000 ] - [ 0.0118335000000000, 0.0028108100000000, -0.0017762400000000 ] - [ -0.0031410900000000, -0.0002601700000000, -0.0045323800000000 ] - [ -0.0003944200000000, -0.0009205900000000, -0.0010949800000000 ] - [ -0.0048788100000000, 0.0086672500000000, -0.0048154400000000 ] - [ 0.0001081200000000, -0.0006664600000000, 0.0001851400000000 ] - [ 0.0025185400000000, 0.0034225100000000, 0.0053524800000000 ] - [ 0.0000033200000000, -0.0003422200000000, 0.0005743400000000 ] - [ -0.0002210600000000, -0.0006570200000000, 0.0139690900000000 ] - [ 0.0006123500000000, -0.0000587400000000, -0.0009256200000000 ] - [ -0.0011701900000000, -0.0002359900000000, -0.0003467000000000 ] - [ -0.0012313200000000, -0.0001853600000000, -0.0005814000000000 ] - [ 0.0006091500000000, 0.0000028500000000, -0.0000966100000000 ] - [ -0.0025347800000000, 0.0018766600000000, -0.0010003400000000 ] - [ -0.0003004900000000, 0.0005639300000000, -0.0007758500000000 ] - [ -0.0001204400000000, 0.0009101400000000, 0.0003370900000000 ] - [ 0.0004093500000000, 0.0009976000000000, -0.0021021400000000 ] - [ -0.0000854600000000, 0.0000397500000000, -0.0003963500000000 ] - [ 0.0006569400000000, 0.0008216300000000, -0.0001649800000000 ] - [ 0.0000518600000000, 0.0001334100000000, 0.0002132700000000 ] - [ 0.0003762200000000, -0.0002319800000000, 0.0015726200000000 ] - [ -0.0001765600000000, -0.0012072300000000, -0.0027071000000000 ] - [ -0.0004515300000000, -0.0002510300000000, -0.0003161100000000 ] - [ -0.0004947800000000, 0.0000527700000000, -0.0006287600000000 ] - [ 0.0005619900000000, 0.0005752400000000, 0.0010415500000000 ] - [ -0.0015341200000000, 0.0000955900000000, -0.0017756300000000 ] - [ -0.0000026800000000, -0.0002526600000000, 0.0007722800000000 ] - [ -0.0000494900000000, -0.0000225800000000, -0.0017764900000000 ] - [ -0.0017835800000000, -0.0023823200000000, -0.0014834700000000 ] - [ -0.0000595500000000, 0.0000284200000000, -0.0005678500000000 ] - [ 0.0001660300000000, -0.0001838300000000, -0.0008462300000000 ] - [ 0.0003679700000000, 0.0002048100000000, -0.0010953900000000 ] - [ 0.0016513100000000, -0.0001222800000000, -0.0003649500000000 ] - [ 0.0019035800000000, 0.0014676100000000, -0.0015991300000000 ] - [ 0.0250854900000000, 0.0241233800000000, -0.0297424800000000 ] - [ 0.0005450600000000, 0.0000437100000000, 0.0006339100000000 ] - [ 0.0017258100000000, -0.0005493500000000, 0.0011770500000000 ] - [ -0.0048628700000000, -0.0045537200000000, -0.0268339700000000 ] - [ -0.0002340400000000, -0.0004990300000000, 0.0002456200000000 ] - [ 0.0013658300000000, 0.0000368100000000, -0.0007399900000000 ] - [ -0.0005752300000000, -0.0005522800000000, 0.0022620300000000 ] - [ -0.0000141400000000, 0.0004285200000000, -0.0009102600000000 ] - [ -0.0001845500000000, 0.0001752100000000, -0.0017798300000000 ] - [ -0.0036848400000000, 0.0002027000000000, 0.0013503200000000 ] - [ -0.0003652400000000, -0.0001806600000000, 0.0012984100000000 ] - [ 0.0020369100000000, 0.0022679500000000, -0.0014736900000000 ] - [ -0.0000849500000000, 0.0003500400000000, -0.0004117900000000 ] - [ 0.0005387100000000, -0.0011564100000000, 0.0135676600000000 ] - [ 0.0008301000000000, -0.0006291700000000, -0.0025647100000000 ]- atom: 67 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0007626100000000, 0.0000054400000000, 0.0003504400000000 ] - [ 0.0002593400000000, 0.0000436200000000, -0.0001071400000000 ] - [ -0.0003185700000000, 0.0000626000000000, 0.0000965500000000 ] - [ -0.0011039500000000, 0.0001185200000000, -0.0004277900000000 ] - [ 0.0005491200000000, -0.0002642300000000, -0.0017607500000000 ] - [ 0.0007493000000000, 0.0001109800000000, 0.0017816700000000 ] - [ -0.0003261700000000, -0.0001830900000000, -0.0001651400000000 ] - [ -0.0002768800000000, -0.0000597900000000, 0.0001350200000000 ] - [ -0.0011010300000000, -0.0001294200000000, 0.0007363500000000 ] - [ 0.0003270500000000, -0.0000591300000000, -0.0002683900000000 ] - [ 0.0075271900000000, -0.0002509800000000, 0.0031965200000000 ] - [ 0.0003469600000000, -0.0000100400000000, -0.0002809000000000 ] - [ -0.0007881900000000, 0.0001011100000000, -0.0003337800000000 ] - [ 0.0154643100000000, -0.0002659000000000, -0.0085044400000000 ] - [ 0.0003026200000000, 0.0001397200000000, 0.0003393900000000 ] - [ -0.0002695400000000, 0.0000502500000000, 0.0003454900000000 ] - [ -0.0009971900000000, -0.0000600800000000, 0.0000687400000000 ] - [ -0.0017852000000000, 0.0005875400000000, 0.0004828300000000 ] - [ 0.0001896100000000, -0.0002031600000000, 0.0007476900000000 ] - [ 0.0005315400000000, 0.0000548100000000, -0.0002278200000000 ] - [ -0.0012041800000000, 0.0000568700000000, 0.0000310100000000 ] - [ -0.0002579200000000, -0.0000605400000000, -0.0000403500000000 ] - [ 0.0043694500000000, -0.0011427700000000, 0.0002162900000000 ] - [ 0.0004581300000000, 0.0000970200000000, -0.0006313100000000 ] - [ -0.0006638600000000, 0.0003040500000000, 0.0002931400000000 ] - [ 0.0004705300000000, -0.0023730200000000, 0.0075129800000000 ] - [ -0.0028848300000000, 0.0004807900000000, 0.0016071500000000 ] - [ 0.0014524700000000, 0.0028570100000000, -0.0086628000000000 ] - [ 0.0006446800000000, -0.0002353100000000, -0.0003672500000000 ] - [ -0.0006765700000000, -0.0002815900000000, 0.0005439900000000 ] - [ 0.0007377400000000, 0.0003193100000000, -0.0005736000000000 ] - [ -0.0027853900000000, -0.0004758800000000, -0.0009202500000000 ] - [ 0.0001068000000000, -0.0005119200000000, -0.0005583300000000 ] - [ 0.0003679700000000, -0.0001985600000000, 0.0007346100000000 ] - [ -0.0010728900000000, 0.0015881600000000, 0.0016837500000000 ] - [ -0.0052299800000000, -0.0028435000000000, 0.0031561300000000 ] - [ 0.0003614000000000, 0.0003203500000000, 0.0020735200000000 ] - [ -0.0006597100000000, -0.0003409500000000, -0.0017515200000000 ] - [ -0.0034027100000000, -0.0000413000000000, 0.0003532900000000 ] - [ 0.0007839100000000, 0.0006288900000000, 0.0000708700000000 ] - [ -0.0001461300000000, -0.0009469500000000, -0.0025215800000000 ] - [ -0.0014013600000000, 0.0006398500000000, -0.0000248300000000 ] - [ -0.0011978800000000, 0.0000755600000000, 0.0002216400000000 ] - [ 0.0632541000000000, -0.0024054200000000, -0.0003861800000000 ] - [ -0.0020175100000000, -0.0006589300000000, -0.0000559400000000 ] - [ -0.0050062000000000, 0.0023725200000000, -0.0023095900000000 ] - [ 0.0056890300000000, -0.0003360800000000, 0.0000205900000000 ] - [ 0.0013374700000000, -0.0000090000000000, -0.0006983100000000 ] - [ -0.0002340200000000, 0.0000585900000000, 0.0001208400000000 ] - [ 0.0000287400000000, -0.0001191000000000, 0.0000536300000000 ] - [ -0.0000770900000000, -0.0000855900000000, 0.0002418000000000 ] - [ -0.0005749100000000, 0.0000898200000000, 0.0002413900000000 ] - [ 0.0003473100000000, 0.0001331400000000, -0.0002174800000000 ] - [ -0.0000344500000000, 0.0000267700000000, -0.0000692500000000 ] - [ -0.0007491800000000, -0.0016290200000000, -0.0017672500000000 ] - [ 0.0009020500000000, -0.0002982500000000, -0.0000040800000000 ] - [ -0.0010721400000000, -0.0002494600000000, 0.0003222100000000 ] - [ 0.0002219600000000, 0.0002833100000000, 0.0000657600000000 ] - [ -0.0000791900000000, 0.0004595700000000, -0.0007166300000000 ] - [ -0.0000716700000000, -0.0001904300000000, 0.0004785600000000 ] - [ -0.0001697200000000, 0.0000297100000000, -0.0006680500000000 ] - [ -0.0002764700000000, 0.0010852500000000, 0.0013449100000000 ] - [ -0.0000485000000000, 0.0001124600000000, 0.0002539600000000 ] - [ 0.0002373600000000, -0.0000882200000000, -0.0002344300000000 ] - [ -0.0006789900000000, 0.0003251000000000, -0.0001030300000000 ] - [ 0.0001364100000000, -0.0001943000000000, -0.0008145800000000 ] - [ -0.0826069900000000, 0.0077341900000000, 0.0054907800000000 ] - [ 0.0015652900000000, -0.0000433600000000, -0.0002135300000000 ] - [ 0.0006043500000000, -0.0000592100000000, 0.0003711200000000 ] - [ 0.0007531400000000, 0.0006128700000000, -0.0002566600000000 ] - [ 0.0005278600000000, 0.0005168200000000, 0.0011562600000000 ] - [ 0.0015454500000000, -0.0004726200000000, 0.0006666700000000 ] - [ 0.0008757300000000, -0.0003254800000000, -0.0001504700000000 ] - [ -0.0020781800000000, -0.0004808400000000, -0.0001278700000000 ] - [ -0.0126790600000000, -0.0005719300000000, -0.0008101300000000 ] - [ -0.0005229200000000, 0.0004032700000000, 0.0009605600000000 ] - [ 0.0001780400000000, -0.0009942800000000, -0.0009608100000000 ] - [ -0.0006856600000000, 0.0006365100000000, 0.0001756300000000 ] - [ -0.0011752900000000, -0.0001373000000000, -0.0000146200000000 ] - [ 0.0002140000000000, 0.0000258300000000, -0.0001825100000000 ] - [ 0.0005963500000000, -0.0003381600000000, 0.0002029600000000 ] - [ -0.0029884800000000, 0.0000100300000000, 0.0022540600000000 ] - [ -0.0000308200000000, -0.0001000600000000, 0.0000949300000000 ] - [ 0.0000810100000000, -0.0002990600000000, -0.0004121900000000 ] - [ 0.0004555100000000, 0.0007527100000000, 0.0004702300000000 ] - [ -0.0001385600000000, 0.0003236800000000, -0.0002610000000000 ] - [ 0.0011974800000000, -0.0306846100000000, 0.0007506900000000 ] - [ 0.0047303100000000, 0.0006482300000000, -0.0002135500000000 ] - [ -0.0038860900000000, -0.0000316400000000, 0.0000083400000000 ] - [ 0.0005247000000000, -0.0008915800000000, 0.0018624200000000 ] - [ -0.0000495600000000, -0.0007354900000000, -0.0004012200000000 ] - [ 0.0017846800000000, 0.0000420100000000, -0.0012307400000000 ] - [ 0.0000618000000000, -0.0007985300000000, 0.0003269500000000 ] - [ -0.0019536000000000, 0.0003288000000000, -0.0025145700000000 ] - [ 0.0002805700000000, -0.0001937600000000, 0.0005053700000000 ] - [ 0.0008126000000000, 0.0001558800000000, -0.0006534000000000 ] - [ 0.0005463300000000, 0.0000306900000000, -0.0002389300000000 ] - [ -0.0007522200000000, -0.0007542400000000, 0.0003928900000000 ] - [ -0.0004530800000000, 0.0002709800000000, 0.0002425900000000 ] - [ 0.0023629400000000, 0.0012849100000000, 0.0000803900000000 ] - [ -0.0004259600000000, 0.0004040900000000, -0.0004306400000000 ] - [ 0.0005620300000000, 0.0005184600000000, 0.0003139200000000 ] - [ 0.0002778500000000, 0.0007392100000000, -0.0003778000000000 ] - [ 0.0005423600000000, 0.0006576600000000, 0.0002615700000000 ] - [ 0.0006992600000000, -0.0003503900000000, 0.0002448800000000 ] - [ 0.0001494900000000, 0.0004679200000000, -0.0001466100000000 ] - [ 0.0023302100000000, 0.0005662600000000, -0.0004750600000000 ] - [ 0.0003200200000000, -0.0004904600000000, 0.0003542700000000 ] - [ 0.0005590300000000, 0.0002957600000000, 0.0025334300000000 ] - [ 0.0009513600000000, -0.0004503300000000, -0.0002126000000000 ] - [ -0.0005620600000000, 0.0000232200000000, 0.0002418200000000 ] - [ 0.0012855300000000, 0.0005281000000000, 0.0007096000000000 ] - [ -0.0004353100000000, 0.0000129500000000, -0.0001977200000000 ] - [ -0.0000329300000000, -0.0001130200000000, 0.0006422700000000 ] - [ 0.0000199900000000, 0.0000107600000000, -0.0000979200000000 ] - [ 0.0031758500000000, 0.0000404900000000, 0.0012917800000000 ] - [ 0.0002237900000000, -0.0000798200000000, -0.0006918200000000 ] - [ -0.0004156600000000, -0.0003514000000000, -0.0008988700000000 ] - [ 0.0007717500000000, 0.0005572900000000, -0.0025321400000000 ] - [ 0.0030702700000000, 0.0007739000000000, 0.0001191000000000 ] - [ 0.0005430900000000, 0.0000697900000000, 0.0001435500000000 ] - [ 0.0001886400000000, 0.0004421000000000, -0.0006234600000000 ] - [ 0.0014444300000000, -0.0001640300000000, 0.0013895900000000 ] - [ 0.0003907000000000, 0.0002084000000000, 0.0009941300000000 ] - [ 0.0033773100000000, -0.0016522000000000, 0.0001979700000000 ] - [ -0.0003045600000000, -0.0005194900000000, 0.0003929400000000 ] - [ 0.0001793000000000, 0.0001348600000000, 0.0003574600000000 ] - [ -0.0009097300000000, 0.0003899800000000, -0.0002363000000000 ] - [ 0.0003448300000000, 0.0003646900000000, -0.0018885200000000 ] - [ -0.0003061800000000, -0.0001259800000000, 0.0000670200000000 ] - [ 0.0026351400000000, -0.0009031200000000, -0.0003731100000000 ] - [ 0.0013157500000000, -0.0007708400000000, -0.0007261900000000 ] - [ -0.0000014800000000, 0.0278578100000000, -0.0002407100000000 ] - [ 0.0010024900000000, 0.0003336200000000, 0.0001286500000000 ] - [ 0.0013823200000000, -0.0012899300000000, -0.0015987800000000 ] - [ -0.0017983600000000, -0.0004183600000000, 0.0002437100000000 ]- atom: 67 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0007634600000000, 0.0002585900000000, -0.0003485900000000 ] - [ -0.0002620600000000, -0.0000436300000000, 0.0001044700000000 ] - [ 0.0003176600000000, -0.0000633000000000, -0.0002238300000000 ] - [ 0.0011017500000000, -0.0001179000000000, 0.0004259800000000 ] - [ -0.0005649000000000, -0.0000106800000000, 0.0017597900000000 ] - [ -0.0007353300000000, -0.0001233000000000, -0.0016562900000000 ] - [ 0.0003264100000000, -0.0000825400000000, 0.0001640400000000 ] - [ 0.0002780900000000, 0.0000599000000000, -0.0001352000000000 ] - [ 0.0011037300000000, 0.0001301000000000, 0.0001142300000000 ] - [ -0.0003242600000000, 0.0000595600000000, -0.0005862100000000 ] - [ -0.0072558000000000, 0.0002817400000000, -0.0037142500000000 ] - [ -0.0003450500000000, 0.0000098400000000, 0.0004056300000000 ] - [ 0.0007869500000000, -0.0001021100000000, 0.0002094900000000 ] - [ -0.0161297900000000, 0.0003308200000000, 0.0091098900000000 ] - [ -0.0003037100000000, 0.0001251500000000, -0.0003410600000000 ] - [ 0.0002696600000000, -0.0000498000000000, 0.0005056900000000 ] - [ -0.0000443000000000, -0.0000577300000000, 0.0000374000000000 ] - [ 0.0028292500000000, -0.0006954600000000, -0.0005849400000000 ] - [ 0.0008510700000000, 0.0000874200000000, -0.0006440500000000 ] - [ 0.0005110100000000, 0.0000633500000000, 0.0001210900000000 ] - [ 0.0001628500000000, 0.0000626400000000, 0.0000721700000000 ] - [ -0.0007834100000000, -0.0000578300000000, -0.0000666000000000 ] - [ -0.0053860200000000, 0.0011185100000000, -0.0002771100000000 ] - [ 0.0005805600000000, 0.0000215500000000, 0.0007387500000000 ] - [ 0.0006667600000000, -0.0003052100000000, -0.0002939300000000 ] - [ -0.0004819200000000, 0.0023461300000000, -0.0074892200000000 ] - [ 0.0028837400000000, -0.0004832800000000, 0.0001027200000000 ] - [ -0.0014443200000000, -0.0028843200000000, 0.0069741600000000 ] - [ -0.0006507300000000, 0.0002354600000000, 0.0003599000000000 ] - [ 0.0006736400000000, 0.0002806600000000, 0.0011674600000000 ] - [ -0.0007312400000000, -0.0003196400000000, -0.0011464300000000 ] - [ 0.0027862100000000, 0.0004732400000000, 0.0009174500000000 ] - [ -0.0000282600000000, -0.0007614700000000, 0.0006343000000000 ] - [ 0.0003944000000000, 0.0000498200000000, -0.0002284400000000 ] - [ 0.0011486800000000, -0.0003216400000000, -0.0017731100000000 ] - [ 0.0053041700000000, 0.0040775300000000, -0.0030625600000000 ] - [ 0.0004179400000000, -0.0004645600000000, -0.0025810500000000 ] - [ 0.0014247400000000, 0.0004870900000000, 0.0012342000000000 ] - [ 0.0026356100000000, -0.0001065700000000, 0.0001613200000000 ] - [ -0.0008575200000000, 0.0006455200000000, 0.0000038500000000 ] - [ 0.0002081000000000, -0.0003230400000000, 0.0024491200000000 ] - [ 0.0013259900000000, 0.0006332900000000, -0.0000518900000000 ] - [ 0.0004318700000000, 0.0000741100000000, 0.0002868300000000 ] - [ -0.0633919100000000, 0.0031636400000000, 0.0012543100000000 ] - [ 0.0019434000000000, -0.0006133900000000, -0.0000278000000000 ] - [ 0.0057783100000000, -0.0022507600000000, 0.0028290500000000 ] - [ -0.0064562500000000, 0.0001847500000000, -0.0005335800000000 ] - [ -0.0021046600000000, 0.0001737900000000, 0.0001843600000000 ] - [ 0.0004339200000000, 0.0002113700000000, -0.0000367400000000 ] - [ 0.0001712400000000, -0.0001535100000000, 0.0000268000000000 ] - [ 0.0001620300000000, -0.0000851400000000, 0.0002377500000000 ] - [ 0.0006597800000000, 0.0000810100000000, 0.0002383000000000 ] - [ -0.0002623800000000, 0.0000347700000000, -0.0002638300000000 ] - [ -0.0000491000000000, 0.0001439300000000, -0.0004100700000000 ] - [ 0.0005523000000000, 0.0013694800000000, 0.0018616300000000 ] - [ -0.0007055200000000, 0.0000767700000000, -0.0001280100000000 ] - [ 0.0009850900000000, 0.0000825600000000, 0.0001580600000000 ] - [ -0.0000217900000000, -0.0000100500000000, -0.0001483300000000 ] - [ -0.0001203600000000, -0.0007276700000000, 0.0006312400000000 ] - [ -0.0001287200000000, 0.0004645000000000, -0.0003997900000000 ] - [ 0.0000846800000000, -0.0001988500000000, 0.0001875500000000 ] - [ 0.0000762500000000, -0.0008088500000000, -0.0014197100000000 ] - [ -0.0000368600000000, 0.0000585000000000, 0.0002253700000000 ] - [ -0.0001525800000000, -0.0000826500000000, -0.0002514300000000 ] - [ -0.0001747500000000, 0.0001547400000000, 0.0000034400000000 ] - [ -0.0001289100000000, -0.0000569300000000, 0.0013558700000000 ] - [ 0.0820554200000000, -0.0078045200000000, -0.0065599900000000 ] - [ -0.0015479100000000, -0.0000236800000000, -0.0002591400000000 ] - [ -0.0006292800000000, -0.0007587800000000, -0.0009746300000000 ] - [ -0.0007229400000000, 0.0002067500000000, -0.0003473900000000 ] - [ -0.0003529700000000, 0.0004490900000000, -0.0008587300000000 ] - [ -0.0021074200000000, 0.0004085300000000, -0.0002120400000000 ] - [ -0.0000196100000000, -0.0001548300000000, 0.0000487100000000 ] - [ 0.0019050600000000, -0.0004873700000000, 0.0004152700000000 ] - [ 0.0125297500000000, -0.0002928800000000, 0.0001524100000000 ] - [ 0.0005400500000000, -0.0001515100000000, -0.0004203000000000 ] - [ -0.0000078700000000, 0.0000231200000000, 0.0012500300000000 ] - [ 0.0005139200000000, 0.0003018900000000, 0.0001389300000000 ] - [ 0.0006070500000000, 0.0001971600000000, -0.0004364600000000 ] - [ -0.0002079500000000, 0.0002285700000000, -0.0003553500000000 ] - [ -0.0002075500000000, -0.0003287000000000, 0.0001551700000000 ] - [ 0.0024250000000000, -0.0000752900000000, -0.0027129700000000 ] - [ 0.0000103000000000, 0.0000333100000000, 0.0003798300000000 ] - [ 0.0000933700000000, -0.0006690400000000, 0.0001224900000000 ] - [ 0.0005035600000000, 0.0007462800000000, 0.0003233400000000 ] - [ -0.0002486300000000, 0.0003434400000000, 0.0006204900000000 ] - [ -0.0011405000000000, 0.0295690900000000, -0.0001328900000000 ] - [ -0.0037268100000000, -0.0021296300000000, 0.0010012600000000 ] - [ 0.0039028600000000, -0.0000279200000000, 0.0004655900000000 ] - [ -0.0009102600000000, 0.0002313400000000, -0.0015148800000000 ] - [ -0.0009105100000000, -0.0007632800000000, -0.0003918500000000 ] - [ -0.0017955000000000, 0.0000265900000000, 0.0007551000000000 ] - [ 0.0000850600000000, -0.0001667100000000, -0.0010404300000000 ] - [ 0.0028120600000000, 0.0001487100000000, 0.0026146600000000 ] - [ -0.0011378200000000, -0.0002860400000000, -0.0004010900000000 ] - [ -0.0008418900000000, 0.0006641500000000, 0.0000528000000000 ] - [ -0.0005289700000000, 0.0000369600000000, -0.0002342200000000 ] - [ -0.0002085800000000, -0.0007452400000000, 0.0004026500000000 ] - [ 0.0004807500000000, 0.0005481100000000, 0.0003625400000000 ] - [ -0.0023528700000000, -0.0015301400000000, -0.0006196700000000 ] - [ 0.0002779400000000, 0.0005583300000000, -0.0002839700000000 ] - [ -0.0007094400000000, 0.0004460600000000, 0.0004005900000000 ] - [ -0.0012379800000000, 0.0007585800000000, -0.0004131500000000 ] - [ 0.0004213000000000, 0.0008392800000000, -0.0010550300000000 ] - [ -0.0007072300000000, 0.0000968500000000, 0.0002926800000000 ] - [ -0.0003222700000000, 0.0004987700000000, -0.0001446900000000 ] - [ -0.0014724300000000, -0.0000857400000000, 0.0003715900000000 ] - [ -0.0004676700000000, -0.0004729100000000, 0.0003668700000000 ] - [ -0.0004071300000000, -0.0012660700000000, -0.0018244600000000 ] - [ -0.0011236100000000, -0.0005161700000000, -0.0000814500000000 ] - [ 0.0005788500000000, 0.0000448700000000, 0.0002369400000000 ] - [ -0.0012925000000000, -0.0002737600000000, -0.0001695700000000 ] - [ 0.0004285500000000, -0.0002666300000000, -0.0003381600000000 ] - [ -0.0003561500000000, -0.0005522400000000, -0.0009939400000000 ] - [ -0.0000338400000000, -0.0000781200000000, -0.0003745800000000 ] - [ -0.0030283500000000, 0.0009343100000000, -0.0015948100000000 ] - [ -0.0010855400000000, 0.0005610100000000, 0.0007951700000000 ] - [ 0.0009669300000000, 0.0002856600000000, 0.0004457800000000 ] - [ -0.0006253900000000, 0.0004098600000000, 0.0018031600000000 ] - [ -0.0030976100000000, 0.0000808600000000, 0.0004829700000000 ] - [ 0.0000207700000000, -0.0001331900000000, 0.0003123100000000 ] - [ -0.0000404300000000, 0.0005217500000000, 0.0013468300000000 ] - [ -0.0014671200000000, 0.0002321900000000, -0.0009180700000000 ] - [ 0.0001722100000000, -0.0001407000000000, -0.0014462200000000 ] - [ -0.0042441700000000, 0.0012088200000000, -0.0003010900000000 ] - [ 0.0002726700000000, -0.0003004800000000, 0.0002128900000000 ] - [ -0.0007400900000000, -0.0000705700000000, 0.0000984300000000 ] - [ 0.0012979100000000, 0.0002774400000000, -0.0001185500000000 ] - [ -0.0007394900000000, 0.0003000200000000, 0.0015303500000000 ] - [ 0.0011689900000000, -0.0003590000000000, 0.0000400700000000 ] - [ -0.0020750600000000, 0.0009715400000000, 0.0008292900000000 ] - [ -0.0012874100000000, -0.0000480800000000, 0.0001246900000000 ] - [ -0.0000191600000000, -0.0278640300000000, -0.0002882300000000 ] - [ -0.0006141100000000, 0.0003324500000000, 0.0002243700000000 ] - [ -0.0004267600000000, -0.0002056500000000, 0.0008136600000000 ] - [ 0.0021876000000000, -0.0002428700000000, -0.0006015500000000 ]- atom: 67 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000824600000000, -0.0001437800000000, 0.0001101900000000 ] - [ -0.0000642400000000, 0.0001318500000000, -0.0002032400000000 ] - [ 0.0000369000000000, -0.0000637700000000, -0.0001113800000000 ] - [ -0.0001308300000000, 0.0001903700000000, -0.0000302300000000 ] - [ -0.0013790900000000, -0.0025938900000000, -0.0016861200000000 ] - [ 0.0008766100000000, -0.0029127100000000, -0.0013041500000000 ] - [ -0.0000313800000000, -0.0001955600000000, -0.0000278100000000 ] - [ 0.0000366700000000, 0.0000469700000000, -0.0000769400000000 ] - [ 0.0001288000000000, 0.0001934400000000, 0.0004193100000000 ] - [ 0.0000782500000000, 0.0001855500000000, -0.0006553300000000 ] - [ -0.0014982700000000, 0.0031184400000000, -0.0010971700000000 ] - [ -0.0000236000000000, -0.0002278100000000, -0.0000091100000000 ] - [ -0.0000549300000000, -0.0002200400000000, 0.0000087100000000 ] - [ 0.0004355300000000, 0.0029893900000000, 0.0002612700000000 ] - [ 0.0000461400000000, -0.0000746000000000, -0.0001090800000000 ] - [ -0.0000193200000000, 0.0000279200000000, 0.0003504100000000 ] - [ -0.0004859100000000, -0.0000383300000000, 0.0000604900000000 ] - [ 0.0031368800000000, 0.0012379800000000, -0.0001268200000000 ] - [ 0.0004537800000000, 0.0002433200000000, 0.0002667100000000 ] - [ 0.0004984100000000, 0.0000693700000000, -0.0002048400000000 ] - [ -0.0005197300000000, 0.0000638900000000, 0.0000057100000000 ] - [ -0.0005278600000000, 0.0000072200000000, -0.0002547100000000 ] - [ -0.0019249300000000, 0.0261221600000000, -0.0071569800000000 ] - [ 0.0005702100000000, 0.0000903600000000, 0.0002468900000000 ] - [ 0.0001217200000000, -0.0002396400000000, -0.0002618000000000 ] - [ -0.0019566900000000, -0.0107264100000000, 0.0090502100000000 ] - [ -0.0006155000000000, -0.0009653000000000, 0.0007871600000000 ] - [ 0.0011186600000000, -0.0110856700000000, 0.0079548100000000 ] - [ -0.0000770800000000, -0.0006658200000000, -0.0004867300000000 ] - [ -0.0000494800000000, -0.0001703000000000, 0.0006597200000000 ] - [ 0.0000123200000000, -0.0007566000000000, -0.0014218300000000 ] - [ 0.0005951000000000, -0.0009437400000000, -0.0001595200000000 ] - [ 0.0000844900000000, -0.0005466700000000, -0.0003468000000000 ] - [ 0.0003354000000000, 0.0001032700000000, -0.0000232300000000 ] - [ 0.0010845400000000, 0.0004274500000000, -0.0006975800000000 ] - [ -0.0039596600000000, 0.0004286200000000, 0.0011943500000000 ] - [ 0.0013198300000000, 0.0009441500000000, -0.0013954500000000 ] - [ -0.0008567500000000, 0.0001101500000000, -0.0009194000000000 ] - [ -0.0003097400000000, 0.0002787400000000, 0.0003834300000000 ] - [ -0.0000440000000000, 0.0007079500000000, -0.0009286600000000 ] - [ -0.0008116300000000, -0.0002519600000000, -0.0006454700000000 ] - [ 0.0000087800000000, 0.0006853300000000, 0.0001984400000000 ] - [ -0.0003759200000000, 0.0000972100000000, 0.0000612000000000 ] - [ -0.0029025800000000, 0.3392740500000000, 0.1052003800000000 ] - [ -0.0000159400000000, -0.0003521300000000, -0.0000627900000000 ] - [ 0.0042697800000000, 0.0004160900000000, 0.0020876500000000 ] - [ -0.0003740000000000, 0.0046468900000000, 0.0014205000000000 ] - [ -0.0005663000000000, 0.0035511900000000, 0.0055788900000000 ] - [ 0.0001002900000000, 0.0001394400000000, 0.0001029700000000 ] - [ 0.0001017500000000, -0.0001386100000000, 0.0000079100000000 ] - [ 0.0000469500000000, -0.0000774500000000, 0.0002150700000000 ] - [ 0.0000494400000000, 0.0000982200000000, 0.0002390800000000 ] - [ 0.0000488800000000, -0.0010928100000000, -0.0027122900000000 ] - [ -0.0000608800000000, 0.0000850500000000, -0.0002232500000000 ] - [ -0.0002316400000000, 0.0011690500000000, 0.0008846400000000 ] - [ -0.0002811200000000, 0.0075247100000000, -0.0055791100000000 ] - [ -0.0014158200000000, 0.0003950100000000, 0.0005141900000000 ] - [ 0.0000612600000000, -0.0006735100000000, -0.0008366800000000 ] - [ -0.0000950400000000, 0.0002239700000000, -0.0003297500000000 ] - [ -0.0001041900000000, 0.0003538400000000, -0.0002161600000000 ] - [ 0.0000001800000000, 0.0002054600000000, -0.0000642200000000 ] - [ -0.0002351800000000, 0.0008747100000000, 0.0007102300000000 ] - [ -0.0000194600000000, 0.0000967700000000, 0.0002027200000000 ] - [ 0.0000123700000000, -0.0000372400000000, -0.0008548500000000 ] - [ -0.0003241300000000, 0.0001791000000000, 0.0002024100000000 ] - [ -0.0007878300000000, 0.0004199100000000, 0.0007692400000000 ] - [ 0.0072224000000000, -0.4458595200000000, -0.1201848700000000 ] - [ -0.0000005600000000, 0.0001182800000000, -0.0001928600000000 ] - [ 0.0003051900000000, -0.0002762100000000, -0.0001174300000000 ] - [ 0.0000044700000000, 0.0004466000000000, -0.0003641300000000 ] - [ 0.0004569100000000, 0.0002128300000000, 0.0005171000000000 ] - [ -0.0001577600000000, -0.0000563200000000, 0.0002430900000000 ] - [ 0.0004024200000000, -0.0002093300000000, 0.0000532800000000 ] - [ -0.0001791500000000, -0.0029993100000000, 0.0027776900000000 ] - [ 0.0001285600000000, 0.0026242600000000, 0.0146520200000000 ] - [ 0.0005941700000000, 0.0001597900000000, 0.0007829500000000 ] - [ 0.0000027000000000, -0.0013395300000000, -0.0000028400000000 ] - [ 0.0001444700000000, -0.0043094000000000, 0.0023160900000000 ] - [ 0.0002204400000000, -0.0002209800000000, -0.0012423100000000 ] - [ 0.0000320000000000, 0.0001032500000000, -0.0000983300000000 ] - [ 0.0001970500000000, -0.0003416100000000, 0.0003037200000000 ] - [ 0.0006095700000000, -0.0005099300000000, -0.0027229600000000 ] - [ -0.0000017800000000, 0.0001138300000000, 0.0003511100000000 ] - [ 0.0000873300000000, -0.0006597800000000, 0.0000546000000000 ] - [ 0.0004763200000000, 0.0007013800000000, 0.0005370000000000 ] - [ -0.0001754800000000, 0.0003287700000000, 0.0002859500000000 ] - [ -0.0172983900000000, 0.0305096700000000, 0.0007995900000000 ] - [ 0.0018604000000000, -0.0012628000000000, 0.0000539600000000 ] - [ -0.0002222900000000, 0.0094452800000000, 0.0011714900000000 ] - [ -0.0006575100000000, 0.0000697000000000, -0.0007835000000000 ] - [ -0.0004939300000000, -0.0008255700000000, -0.0004332000000000 ] - [ 0.0020890900000000, 0.0009700600000000, -0.0012719000000000 ] - [ 0.0000576200000000, -0.0006695100000000, -0.0000704900000000 ] - [ -0.0002191300000000, -0.0004305800000000, -0.0024354000000000 ] - [ -0.0000960100000000, 0.0000623400000000, -0.0000400200000000 ] - [ -0.0003463000000000, 0.0007212700000000, -0.0003825700000000 ] - [ -0.0000239300000000, 0.0000798300000000, -0.0001590500000000 ] - [ -0.0004759200000000, -0.0009210500000000, 0.0007244700000000 ] - [ 0.0001194600000000, 0.0005505800000000, 0.0005519300000000 ] - [ 0.0010767700000000, 0.0002865400000000, -0.0001121300000000 ] - [ -0.0000487500000000, 0.0008917800000000, 0.0005382800000000 ] - [ -0.0000861400000000, 0.0004839900000000, 0.0001862600000000 ] - [ -0.0004899100000000, 0.0005982600000000, -0.0003611800000000 ] - [ 0.0005720600000000, 0.0003760400000000, -0.0002346900000000 ] - [ -0.0000594700000000, -0.0000586700000000, 0.0002158900000000 ] - [ -0.0000907600000000, 0.0004573800000000, -0.0000859200000000 ] - [ 0.0002235900000000, 0.0002018000000000, -0.0000597400000000 ] - [ -0.0000754200000000, -0.0005307600000000, 0.0003584000000000 ] - [ 0.0007520100000000, -0.0011973600000000, 0.0004934100000000 ] - [ -0.0000875000000000, -0.0006998100000000, -0.0002253500000000 ] - [ 0.0000441800000000, 0.0002285600000000, 0.0006271200000000 ] - [ -0.0001893100000000, 0.0000630800000000, 0.0001520400000000 ] - [ -0.0000946000000000, 0.0000269600000000, -0.0000209400000000 ] - [ 0.0000124100000000, -0.0002842100000000, 0.0002240900000000 ] - [ -0.0000415700000000, 0.0000662100000000, -0.0001459700000000 ] - [ -0.0009822700000000, -0.0004428200000000, -0.0007415900000000 ] - [ -0.0008910100000000, 0.0002759800000000, 0.0005129800000000 ] - [ -0.0002670800000000, -0.0000347800000000, 0.0004349300000000 ] - [ 0.0006241400000000, 0.0003634100000000, -0.0012903400000000 ] - [ 0.0033585900000000, 0.0084976600000000, 0.0003641000000000 ] - [ 0.0002500400000000, -0.0000738300000000, 0.0003543600000000 ] - [ -0.0000529300000000, 0.0004011400000000, 0.0007755900000000 ] - [ -0.0018611900000000, 0.0008219300000000, -0.0008192300000000 ] - [ 0.0013070600000000, 0.0007162400000000, 0.0004571200000000 ] - [ -0.0045503200000000, 0.0069807200000000, -0.0006072300000000 ] - [ -0.0000997700000000, -0.0004446600000000, 0.0005868100000000 ] - [ -0.0002661300000000, 0.0000603600000000, 0.0003144000000000 ] - [ 0.0002095000000000, -0.0004811900000000, -0.0004873500000000 ] - [ -0.0012175700000000, 0.0000508300000000, 0.0008672100000000 ] - [ 0.0000872700000000, -0.0006356100000000, -0.0009723800000000 ] - [ -0.0008260100000000, 0.0003121200000000, 0.0003764000000000 ] - [ 0.0001618300000000, -0.0004731500000000, -0.0004385500000000 ] - [ 0.0162730700000000, 0.0307889100000000, 0.0002047900000000 ] - [ 0.0001453300000000, 0.0002893400000000, 0.0000811200000000 ] - [ -0.0000587200000000, -0.0008265200000000, -0.0000265900000000 ] - [ -0.0000455900000000, 0.0036577300000000, -0.0061057100000000 ]- atom: 67 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000834400000000, 0.0004087900000000, -0.0001088300000000 ] - [ 0.0000629600000000, -0.0001318100000000, 0.0002032700000000 ] - [ -0.0000383000000000, 0.0000630400000000, -0.0000155400000000 ] - [ 0.0001323400000000, -0.0001908300000000, 0.0000303900000000 ] - [ 0.0013759500000000, 0.0023220700000000, 0.0017001200000000 ] - [ -0.0008733000000000, 0.0029080100000000, 0.0014444700000000 ] - [ 0.0000315200000000, -0.0000702500000000, 0.0000271400000000 ] - [ -0.0000365400000000, -0.0000470600000000, 0.0000772300000000 ] - [ -0.0001300000000000, -0.0001939700000000, 0.0004323000000000 ] - [ -0.0000773500000000, -0.0001854200000000, -0.0001968800000000 ] - [ 0.0014890400000000, -0.0031009400000000, 0.0002346500000000 ] - [ 0.0000261200000000, 0.0002264700000000, 0.0001350100000000 ] - [ 0.0000549000000000, 0.0002188500000000, -0.0001333300000000 ] - [ -0.0003774600000000, -0.0029894500000000, -0.0003051000000000 ] - [ -0.0000478300000000, 0.0003383400000000, 0.0001084000000000 ] - [ 0.0000195600000000, -0.0000277200000000, 0.0005016700000000 ] - [ -0.0005561900000000, -0.0000795700000000, 0.0000453200000000 ] - [ -0.0021019800000000, -0.0013720700000000, 0.0000232000000000 ] - [ 0.0005835100000000, -0.0003632300000000, -0.0001626700000000 ] - [ 0.0005438100000000, 0.0000484500000000, 0.0000996900000000 ] - [ -0.0005219800000000, 0.0000550400000000, 0.0000983500000000 ] - [ -0.0005136300000000, -0.0001257500000000, 0.0001513200000000 ] - [ 0.0007707700000000, -0.0239379600000000, 0.0064793900000000 ] - [ 0.0004706900000000, 0.0000283100000000, -0.0001398600000000 ] - [ -0.0001211100000000, 0.0002391300000000, 0.0002631100000000 ] - [ 0.0019837400000000, 0.0107223900000000, -0.0091178500000000 ] - [ 0.0006204200000000, 0.0009657700000000, 0.0009208800000000 ] - [ -0.0011390100000000, 0.0110797400000000, -0.0097293100000000 ] - [ 0.0000754300000000, 0.0006642700000000, 0.0004885100000000 ] - [ 0.0000477200000000, 0.0001691300000000, 0.0010529300000000 ] - [ -0.0000101200000000, 0.0007555100000000, -0.0002879000000000 ] - [ -0.0005999000000000, 0.0009439600000000, 0.0001569200000000 ] - [ -0.0000060200000000, -0.0007279700000000, 0.0004280900000000 ] - [ 0.0004264200000000, -0.0002521500000000, 0.0005359400000000 ] - [ -0.0010067000000000, 0.0008610300000000, 0.0006140300000000 ] - [ 0.0040043600000000, 0.0008990200000000, -0.0011102900000000 ] - [ -0.0005496200000000, -0.0010945400000000, 0.0008884600000000 ] - [ 0.0016190000000000, 0.0000499000000000, 0.0004021100000000 ] - [ -0.0004559200000000, -0.0004301800000000, 0.0001303500000000 ] - [ -0.0000305900000000, 0.0005665700000000, 0.0010151700000000 ] - [ 0.0008821200000000, -0.0010218000000000, 0.0005678800000000 ] - [ -0.0000852600000000, 0.0005883400000000, -0.0002767700000000 ] - [ -0.0003891300000000, 0.0000517700000000, 0.0004505700000000 ] - [ 0.0030150600000000, -0.3612452100000000, -0.1143198100000000 ] - [ -0.0000596500000000, -0.0009236900000000, -0.0000189700000000 ] - [ -0.0034796000000000, -0.0002228200000000, -0.0015599200000000 ] - [ -0.0003923600000000, -0.0048374700000000, -0.0018966000000000 ] - [ -0.0001990400000000, -0.0033793100000000, -0.0060781800000000 ] - [ 0.0000994700000000, 0.0001318900000000, -0.0000203500000000 ] - [ 0.0000980400000000, -0.0001339400000000, 0.0000734800000000 ] - [ 0.0000378400000000, -0.0000934500000000, 0.0002646700000000 ] - [ 0.0000354700000000, 0.0000726000000000, 0.0002404100000000 ] - [ 0.0000367500000000, 0.0012545300000000, 0.0022124500000000 ] - [ -0.0000240500000000, 0.0000855500000000, -0.0002560000000000 ] - [ 0.0000282100000000, -0.0014454400000000, -0.0008050300000000 ] - [ 0.0004797100000000, -0.0077828100000000, 0.0054583600000000 ] - [ 0.0013368900000000, -0.0005716900000000, -0.0000372800000000 ] - [ 0.0001399000000000, 0.0009645200000000, 0.0007665300000000 ] - [ -0.0001041200000000, -0.0004963800000000, 0.0002479600000000 ] - [ -0.0000964900000000, -0.0000810500000000, 0.0002974000000000 ] - [ -0.0000818700000000, -0.0003785200000000, -0.0004155500000000 ] - [ 0.0000364700000000, -0.0005994700000000, -0.0007898600000000 ] - [ -0.0000660100000000, 0.0000738900000000, 0.0002772000000000 ] - [ 0.0000725700000000, -0.0001340000000000, 0.0003740800000000 ] - [ -0.0005325700000000, 0.0003000600000000, -0.0003040200000000 ] - [ 0.0007882300000000, -0.0006780700000000, -0.0002223600000000 ] - [ -0.0083218900000000, 0.4668904800000000, 0.1311567200000000 ] - [ 0.0000179400000000, -0.0001863600000000, -0.0002807400000000 ] - [ -0.0003319800000000, -0.0005430700000000, -0.0004870600000000 ] - [ 0.0000245500000000, 0.0003733900000000, -0.0002411700000000 ] - [ -0.0002874800000000, 0.0007467500000000, -0.0002280900000000 ] - [ -0.0004057600000000, -0.0000070300000000, 0.0002118900000000 ] - [ 0.0004554600000000, -0.0002702800000000, -0.0001548800000000 ] - [ 0.0000060600000000, 0.0020210100000000, -0.0025243800000000 ] - [ -0.0002724400000000, -0.0034958400000000, -0.0154373200000000 ] - [ -0.0005843300000000, 0.0000937700000000, -0.0002449700000000 ] - [ 0.0001680000000000, 0.0003734600000000, 0.0002915600000000 ] - [ -0.0003178500000000, 0.0052606800000000, -0.0020219700000000 ] - [ -0.0007822000000000, 0.0002830300000000, 0.0007813200000000 ] - [ -0.0000263800000000, 0.0001506400000000, -0.0004404700000000 ] - [ 0.0001916800000000, -0.0003245100000000, 0.0000535000000000 ] - [ -0.0011809900000000, 0.0004765700000000, 0.0022705200000000 ] - [ -0.0000166900000000, -0.0001817800000000, 0.0001234500000000 ] - [ 0.0000865400000000, -0.0003063300000000, -0.0003447000000000 ] - [ 0.0004830400000000, 0.0007958900000000, 0.0002562200000000 ] - [ -0.0002114000000000, 0.0003372900000000, 0.0000706900000000 ] - [ 0.0177431400000000, -0.0318645200000000, -0.0002882800000000 ] - [ -0.0009166300000000, -0.0002584900000000, 0.0007447400000000 ] - [ 0.0002375500000000, -0.0094465200000000, -0.0006558500000000 ] - [ 0.0002648000000000, -0.0007420000000000, 0.0011327700000000 ] - [ -0.0004659700000000, -0.0006721000000000, -0.0003610500000000 ] - [ -0.0021197000000000, -0.0008986500000000, 0.0008090700000000 ] - [ 0.0000886400000000, -0.0002953800000000, -0.0006485300000000 ] - [ 0.0010848600000000, 0.0009393500000000, 0.0025413900000000 ] - [ -0.0007619100000000, -0.0005450700000000, 0.0001438300000000 ] - [ 0.0003178100000000, 0.0000942000000000, -0.0002185300000000 ] - [ 0.0000417600000000, -0.0000119900000000, -0.0003162100000000 ] - [ -0.0004851700000000, -0.0005769700000000, 0.0000682900000000 ] - [ -0.0000937100000000, 0.0002678800000000, 0.0000496800000000 ] - [ -0.0010601600000000, -0.0005483700000000, -0.0004256700000000 ] - [ -0.0000998300000000, 0.0000627300000000, -0.0012660200000000 ] - [ -0.0000612100000000, 0.0004806000000000, 0.0005310800000000 ] - [ -0.0004701900000000, 0.0008993500000000, -0.0004321300000000 ] - [ 0.0003897200000000, 0.0011203900000000, -0.0005598400000000 ] - [ 0.0000523400000000, -0.0001949700000000, 0.0003210300000000 ] - [ -0.0000817600000000, 0.0005070200000000, -0.0002045500000000 ] - [ 0.0006356500000000, 0.0002789900000000, -0.0000422500000000 ] - [ -0.0000722100000000, -0.0004338100000000, 0.0003627600000000 ] - [ -0.0006032300000000, 0.0002357500000000, 0.0002229500000000 ] - [ -0.0000852700000000, -0.0002640000000000, -0.0000653600000000 ] - [ -0.0000279000000000, -0.0001598100000000, -0.0001518300000000 ] - [ 0.0001838300000000, 0.0001913300000000, 0.0003875800000000 ] - [ 0.0000890800000000, -0.0002814100000000, -0.0005189300000000 ] - [ -0.0004005600000000, -0.0003826100000000, -0.0005771800000000 ] - [ 0.0000254800000000, -0.0001343900000000, -0.0003297100000000 ] - [ 0.0011682000000000, 0.0013888100000000, 0.0004526900000000 ] - [ 0.0000318100000000, 0.0002032100000000, -0.0004132900000000 ] - [ 0.0008245400000000, -0.0000301800000000, -0.0008915600000000 ] - [ -0.0004738800000000, 0.0005921000000000, 0.0005656600000000 ] - [ -0.0033323500000000, -0.0076742300000000, 0.0002322400000000 ] - [ 0.0003144400000000, 0.0000101100000000, 0.0001005500000000 ] - [ 0.0002004200000000, 0.0005609400000000, -0.0000545300000000 ] - [ 0.0018525400000000, -0.0007498300000000, 0.0013045500000000 ] - [ -0.0007372900000000, -0.0006567100000000, -0.0009023000000000 ] - [ 0.0036351800000000, -0.0074646500000000, 0.0004971800000000 ] - [ 0.0000694900000000, -0.0003755500000000, 0.0000171300000000 ] - [ -0.0002954800000000, 0.0000039300000000, 0.0001411400000000 ] - [ 0.0001784700000000, 0.0011507600000000, 0.0001271100000000 ] - [ 0.0008292900000000, 0.0006186500000000, -0.0012299900000000 ] - [ 0.0007687400000000, 0.0001537700000000, 0.0010685000000000 ] - [ 0.0013796500000000, -0.0002541600000000, 0.0000780600000000 ] - [ -0.0001351700000000, -0.0003458700000000, -0.0001636900000000 ] - [ -0.0166599000000000, -0.0310722100000000, -0.0008322600000000 ] - [ 0.0002436000000000, 0.0003762600000000, 0.0002738400000000 ] - [ 0.0010247500000000, -0.0006770400000000, -0.0007703900000000 ] - [ 0.0004319500000000, -0.0043233100000000, 0.0057248000000000 ]- atom: 67 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0002302400000000, 0.0000528200000000, 0.0002911800000000 ] - [ -0.0004595800000000, -0.0000353900000000, -0.0011549000000000 ] - [ 0.0001390900000000, -0.0000437200000000, -0.0003452000000000 ] - [ -0.0002591100000000, 0.0000281700000000, 0.0003182300000000 ] - [ -0.0025039700000000, -0.0014574900000000, 0.0009472500000000 ] - [ 0.0022930100000000, -0.0013086600000000, 0.0010303100000000 ] - [ -0.0001636500000000, -0.0001716500000000, -0.0002720300000000 ] - [ 0.0001429900000000, 0.0000387300000000, -0.0003484600000000 ] - [ 0.0001933300000000, 0.0000120100000000, 0.0008561400000000 ] - [ 0.0005703200000000, 0.0000149400000000, -0.0016067400000000 ] - [ 0.0032281100000000, -0.0000587000000000, 0.0059299700000000 ] - [ -0.0004086200000000, 0.0001555800000000, -0.0008125200000000 ] - [ -0.0002054900000000, -0.0000859500000000, 0.0002233000000000 ] - [ -0.0092610200000000, 0.0004099600000000, 0.0093027800000000 ] - [ 0.0003939000000000, 0.0002761300000000, -0.0008097500000000 ] - [ -0.0001136100000000, 0.0000184500000000, 0.0000606000000000 ] - [ -0.0005059700000000, -0.0000528000000000, 0.0001065300000000 ] - [ 0.0006944800000000, -0.0000864400000000, 0.0010053700000000 ] - [ 0.0013627300000000, 0.0001224500000000, -0.0002098300000000 ] - [ 0.0005281600000000, 0.0000439200000000, -0.0006715700000000 ] - [ -0.0005292100000000, 0.0000543900000000, -0.0000209900000000 ] - [ -0.0005411100000000, -0.0000199600000000, -0.0014491600000000 ] - [ -0.0001426300000000, -0.0070706000000000, 0.0072808300000000 ] - [ -0.0001327700000000, 0.0001359500000000, 0.0000489500000000 ] - [ 0.0004778700000000, -0.0001524000000000, -0.0009335600000000 ] - [ 0.0019147500000000, 0.0000892600000000, 0.0036123800000000 ] - [ 0.0004889000000000, -0.0000719400000000, 0.0017437300000000 ] - [ -0.0020799800000000, 0.0000582700000000, 0.0028646400000000 ] - [ -0.0009861100000000, 0.0001600600000000, -0.0029637600000000 ] - [ -0.0003975400000000, -0.0001118900000000, -0.0000437300000000 ] - [ 0.0010300100000000, 0.0000459000000000, -0.0039143200000000 ] - [ -0.0006115300000000, -0.0001061300000000, 0.0008564800000000 ] - [ 0.0000944900000000, -0.0005346700000000, -0.0020091800000000 ] - [ 0.0003501300000000, 0.0000973300000000, -0.0016407800000000 ] - [ 0.0019893300000000, -0.0000251100000000, -0.0012859900000000 ] - [ -0.0000769600000000, 0.0005736000000000, 0.0034004300000000 ] - [ 0.0029962500000000, 0.0000994300000000, -0.0003263000000000 ] - [ -0.0018033000000000, -0.0003290700000000, -0.0013989100000000 ] - [ -0.0004105200000000, -0.0001322400000000, 0.0012472800000000 ] - [ -0.0000117300000000, 0.0006745800000000, -0.0042579200000000 ] - [ -0.0023050800000000, -0.0003721000000000, -0.0001093000000000 ] - [ -0.0000433900000000, 0.0006127800000000, 0.0003013500000000 ] - [ -0.0004018000000000, -0.0000086800000000, -0.0006408600000000 ] - [ -0.0008118500000000, 0.1029183000000000, 0.1065213000000000 ] - [ -0.0000105500000000, -0.0006513000000000, -0.0004305700000000 ] - [ 0.0007005100000000, 0.0009370600000000, 0.0032499100000000 ] - [ 0.0001092100000000, 0.0058725100000000, -0.0052309700000000 ] - [ -0.0005588000000000, 0.0033489100000000, -0.0050834100000000 ] - [ 0.0000793500000000, -0.0001114700000000, 0.0003875800000000 ] - [ 0.0001136100000000, -0.0003835200000000, -0.0002976000000000 ] - [ 0.0000473900000000, -0.0000700600000000, 0.0001313000000000 ] - [ 0.0000304100000000, 0.0001000600000000, 0.0003482200000000 ] - [ 0.0000635600000000, -0.0012314200000000, -0.0015245800000000 ] - [ 0.0002506200000000, 0.0000764800000000, -0.0003456100000000 ] - [ -0.0005077300000000, 0.0006359000000000, 0.0010025900000000 ] - [ -0.0003934600000000, 0.0065705800000000, -0.0097749200000000 ] - [ -0.0000065200000000, -0.0000516800000000, 0.0006136900000000 ] - [ -0.0001339100000000, -0.0034627100000000, -0.0032086900000000 ] - [ -0.0002599800000000, 0.0005008900000000, -0.0008444700000000 ] - [ -0.0000836300000000, 0.0007025200000000, -0.0007265400000000 ] - [ -0.0005286500000000, -0.0000030800000000, -0.0002166100000000 ] - [ 0.0002653900000000, 0.0006903200000000, 0.0004915600000000 ] - [ -0.0000407000000000, 0.0000762400000000, 0.0000118100000000 ] - [ 0.0000205000000000, -0.0001736200000000, -0.0014571800000000 ] - [ -0.0000382800000000, -0.0000433800000000, 0.0011669800000000 ] - [ -0.0013677700000000, -0.0002274800000000, 0.0005663300000000 ] - [ 0.0055945100000000, -0.1238592500000000, -0.1215359200000000 ] - [ 0.0000397400000000, 0.0000260800000000, -0.0005249000000000 ] - [ 0.0008569200000000, -0.0001157900000000, 0.0000243400000000 ] - [ 0.0001854500000000, 0.0004686800000000, -0.0002738700000000 ] - [ 0.0010024000000000, 0.0004367500000000, 0.0008943300000000 ] - [ -0.0004647200000000, 0.0001179500000000, -0.0002885100000000 ] - [ 0.0002537400000000, -0.0000998400000000, 0.0004416100000000 ] - [ -0.0002470900000000, -0.0008770100000000, 0.0075628500000000 ] - [ -0.0000573500000000, 0.0286054200000000, 0.0211033300000000 ] - [ 0.0015717600000000, -0.0001071900000000, 0.0010137800000000 ] - [ -0.0006255900000000, -0.0008449000000000, 0.0000412500000000 ] - [ 0.0001462500000000, -0.0036117800000000, 0.0046184700000000 ] - [ -0.0018673000000000, -0.0010356700000000, 0.0017781000000000 ] - [ 0.0001606700000000, -0.0000798700000000, 0.0004291700000000 ] - [ 0.0002118100000000, -0.0003964800000000, 0.0007341900000000 ] - [ 0.0008888900000000, -0.0022761700000000, 0.0003315500000000 ] - [ -0.0005699300000000, 0.0000425800000000, 0.0008760700000000 ] - [ 0.0001032000000000, -0.0007334200000000, 0.0006868400000000 ] - [ 0.0004076400000000, 0.0008903800000000, 0.0011340100000000 ] - [ -0.0004853500000000, 0.0004553800000000, 0.0013705800000000 ] - [ 0.0017599100000000, -0.0021378600000000, -0.0140846700000000 ] - [ 0.0010814300000000, -0.0004035000000000, -0.0013738500000000 ] - [ -0.0001507800000000, 0.0033148100000000, -0.0004681500000000 ] - [ 0.0002676100000000, -0.0002021600000000, -0.0012949000000000 ] - [ -0.0004753200000000, -0.0007846900000000, -0.0003815900000000 ] - [ -0.0004989100000000, -0.0001141300000000, -0.0009568200000000 ] - [ 0.0002904300000000, -0.0007740500000000, 0.0010923000000000 ] - [ -0.0009456000000000, -0.0018639400000000, 0.0003400300000000 ] - [ 0.0003894800000000, 0.0000062100000000, -0.0002190600000000 ] - [ -0.0008099100000000, 0.0007834800000000, -0.0004877800000000 ] - [ -0.0000118400000000, 0.0000910500000000, 0.0000697000000000 ] - [ -0.0004853000000000, -0.0010772200000000, 0.0020105700000000 ] - [ 0.0004227000000000, 0.0008326800000000, 0.0019914700000000 ] - [ -0.0000055700000000, -0.0002600300000000, -0.0010043000000000 ] - [ 0.0000352200000000, 0.0021995800000000, 0.0034098000000000 ] - [ -0.0000644500000000, 0.0006154400000000, -0.0000383600000000 ] - [ -0.0004977600000000, 0.0007139900000000, -0.0003951700000000 ] - [ 0.0011369700000000, 0.0005867600000000, -0.0001336600000000 ] - [ -0.0001753500000000, -0.0000570200000000, 0.0002951600000000 ] - [ -0.0000935100000000, 0.0005935400000000, 0.0002371600000000 ] - [ 0.0006493200000000, 0.0003878700000000, -0.0006044100000000 ] - [ -0.0000821200000000, -0.0003555700000000, 0.0007768300000000 ] - [ 0.0009393700000000, -0.0008559600000000, -0.0002433000000000 ] - [ -0.0000506900000000, -0.0003874000000000, -0.0005539300000000 ] - [ 0.0000521500000000, 0.0000257000000000, 0.0017105800000000 ] - [ 0.0001755600000000, 0.0001873400000000, 0.0002739600000000 ] - [ -0.0004994700000000, 0.0003138900000000, 0.0014360800000000 ] - [ 0.0001965900000000, -0.0001764300000000, 0.0007170600000000 ] - [ 0.0004309700000000, -0.0000591100000000, 0.0003951100000000 ] - [ 0.0002760700000000, -0.0000451200000000, -0.0016971300000000 ] - [ -0.0013607700000000, 0.0004792600000000, 0.0005085800000000 ] - [ -0.0013829700000000, -0.0001517200000000, 0.0005620400000000 ] - [ -0.0004911500000000, 0.0002527100000000, -0.0021290000000000 ] - [ 0.0007553200000000, 0.0005465700000000, -0.0018395900000000 ] - [ 0.0000616200000000, -0.0002599600000000, 0.0009756000000000 ] - [ -0.0002144200000000, 0.0003059300000000, 0.0014212400000000 ] - [ 0.0006184900000000, -0.0000616100000000, -0.0004856300000000 ] - [ 0.0018983900000000, 0.0002029000000000, 0.0002550900000000 ] - [ -0.0016684500000000, -0.0000087700000000, -0.0023771700000000 ] - [ -0.0003022100000000, -0.0006659900000000, 0.0014974000000000 ] - [ -0.0000925400000000, 0.0001728400000000, 0.0006959600000000 ] - [ 0.0001161000000000, -0.0010487800000000, 0.0022899600000000 ] - [ -0.0011516400000000, 0.0004645700000000, -0.0006415100000000 ] - [ 0.0021120300000000, -0.0013690300000000, 0.0020419600000000 ] - [ 0.0003949100000000, -0.0003267900000000, -0.0006327900000000 ] - [ -0.0001865000000000, -0.0003622200000000, -0.0003072200000000 ] - [ -0.0010601400000000, -0.0013884100000000, -0.0142486100000000 ] - [ 0.0001737200000000, 0.0002587000000000, -0.0004214600000000 ] - [ -0.0007287800000000, -0.0003765400000000, 0.0000887900000000 ] - [ 0.0004440000000000, -0.0023268300000000, 0.0019582400000000 ]- atom: 67 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0002297600000000, 0.0002128000000000, -0.0002936200000000 ] - [ 0.0004624200000000, 0.0000354800000000, 0.0011556500000000 ] - [ -0.0001392200000000, 0.0000434400000000, 0.0002209300000000 ] - [ 0.0002596100000000, -0.0000279000000000, -0.0003149700000000 ] - [ 0.0025111500000000, 0.0011951100000000, -0.0009687400000000 ] - [ -0.0022997900000000, 0.0013112000000000, -0.0009244600000000 ] - [ 0.0001623500000000, -0.0000935400000000, 0.0002735500000000 ] - [ -0.0001443000000000, -0.0000387400000000, 0.0003475100000000 ] - [ -0.0001940600000000, -0.0000117200000000, -0.0000012100000000 ] - [ -0.0005739900000000, -0.0000150600000000, 0.0007557000000000 ] - [ -0.0029057400000000, 0.0000831900000000, -0.0065264600000000 ] - [ 0.0004064600000000, -0.0001546100000000, 0.0009389900000000 ] - [ 0.0002035300000000, 0.0000860900000000, -0.0003518900000000 ] - [ 0.0088345900000000, -0.0003770900000000, -0.0091046700000000 ] - [ -0.0003912400000000, -0.0000104600000000, 0.0008104400000000 ] - [ 0.0001151200000000, -0.0000182500000000, 0.0007902200000000 ] - [ -0.0005360900000000, -0.0000651100000000, -0.0000032500000000 ] - [ 0.0003632000000000, -0.0000286600000000, -0.0011147500000000 ] - [ -0.0003175900000000, -0.0002383900000000, 0.0003193500000000 ] - [ 0.0005112500000000, 0.0000740700000000, 0.0005667400000000 ] - [ -0.0005126000000000, 0.0000645700000000, 0.0001275100000000 ] - [ -0.0005002700000000, -0.0000983200000000, 0.0013431000000000 ] - [ -0.0008925400000000, 0.0071446000000000, -0.0072732700000000 ] - [ 0.0011764500000000, -0.0000174700000000, 0.0000523800000000 ] - [ -0.0004813800000000, 0.0001531000000000, 0.0009309300000000 ] - [ -0.0019313900000000, -0.0001172800000000, -0.0035208800000000 ] - [ -0.0004961400000000, 0.0000707600000000, -0.0000248500000000 ] - [ 0.0020912900000000, -0.0000894100000000, -0.0044847800000000 ] - [ 0.0009935900000000, -0.0001605000000000, 0.0029639400000000 ] - [ 0.0003997200000000, 0.0001124600000000, 0.0017527000000000 ] - [ -0.0010368400000000, -0.0000457300000000, 0.0022033100000000 ] - [ 0.0006162200000000, 0.0001048800000000, -0.0008495100000000 ] - [ -0.0000255900000000, -0.0007397800000000, 0.0020906500000000 ] - [ 0.0004213100000000, -0.0002473200000000, 0.0021522500000000 ] - [ -0.0019078800000000, 0.0012936600000000, 0.0012110000000000 ] - [ 0.0001741000000000, 0.0006985000000000, -0.0033393800000000 ] - [ -0.0022434300000000, -0.0002497200000000, -0.0001996800000000 ] - [ 0.0025603100000000, 0.0004731700000000, 0.0008932100000000 ] - [ -0.0003563100000000, -0.0000173100000000, -0.0007402100000000 ] - [ -0.0000623000000000, 0.0005985800000000, 0.0043286200000000 ] - [ 0.0023896200000000, -0.0009040900000000, 0.0000145500000000 ] - [ -0.0000328800000000, 0.0006612900000000, -0.0003887700000000 ] - [ -0.0003645800000000, 0.0001589400000000, 0.0011544800000000 ] - [ 0.0007598900000000, -0.1059067500000000, -0.1057485600000000 ] - [ -0.0000641600000000, -0.0006208800000000, 0.0003555200000000 ] - [ 0.0000414700000000, -0.0007857300000000, -0.0027564500000000 ] - [ -0.0008698100000000, -0.0059646700000000, 0.0046936600000000 ] - [ -0.0002053800000000, -0.0032101600000000, 0.0045729200000000 ] - [ 0.0001203800000000, 0.0003847300000000, -0.0003079400000000 ] - [ 0.0000860200000000, 0.0001130700000000, 0.0003809800000000 ] - [ 0.0000373300000000, -0.0001007600000000, 0.0003483100000000 ] - [ 0.0000542900000000, 0.0000706200000000, 0.0001317600000000 ] - [ 0.0000213500000000, 0.0013943600000000, 0.0010419900000000 ] - [ -0.0003368100000000, 0.0000944900000000, -0.0001347000000000 ] - [ 0.0003065100000000, -0.0009136000000000, -0.0009306300000000 ] - [ 0.0005953900000000, -0.0068709500000000, 0.0097347300000000 ] - [ -0.0000873200000000, -0.0001169200000000, -0.0001317200000000 ] - [ 0.0003320400000000, 0.0037107200000000, 0.0031130100000000 ] - [ 0.0000585500000000, -0.0007733200000000, 0.0007638700000000 ] - [ -0.0001156300000000, -0.0004319300000000, 0.0008096300000000 ] - [ 0.0004405200000000, -0.0001663100000000, -0.0002603900000000 ] - [ -0.0004665600000000, -0.0004242900000000, -0.0005801600000000 ] - [ -0.0000436000000000, 0.0000947000000000, 0.0004678900000000 ] - [ 0.0000645400000000, 0.0000029900000000, 0.0009852800000000 ] - [ -0.0008234900000000, 0.0005246400000000, -0.0012699100000000 ] - [ 0.0013720800000000, -0.0000235500000000, -0.0000353300000000 ] - [ -0.0064536300000000, 0.1272949100000000, 0.1213808400000000 ] - [ -0.0000222400000000, -0.0000937700000000, 0.0000486500000000 ] - [ -0.0008874700000000, -0.0007025400000000, -0.0006236200000000 ] - [ -0.0001572500000000, 0.0003500100000000, -0.0003267600000000 ] - [ -0.0008241400000000, 0.0005314900000000, -0.0006033000000000 ] - [ -0.0000951800000000, -0.0001829100000000, 0.0007450100000000 ] - [ 0.0006050400000000, -0.0003807700000000, -0.0005443200000000 ] - [ 0.0000706100000000, -0.0000871800000000, -0.0071804300000000 ] - [ -0.0000857900000000, -0.0301649000000000, -0.0223417700000000 ] - [ -0.0015744200000000, 0.0003635700000000, -0.0004725100000000 ] - [ 0.0008009600000000, -0.0001189200000000, 0.0002569800000000 ] - [ -0.0003207200000000, 0.0045914900000000, -0.0043325300000000 ] - [ 0.0013079600000000, 0.0011012400000000, -0.0022331700000000 ] - [ -0.0001506400000000, 0.0003327600000000, -0.0009666800000000 ] - [ 0.0001770300000000, -0.0002697500000000, -0.0003792600000000 ] - [ -0.0014339400000000, 0.0021814800000000, -0.0007928700000000 ] - [ 0.0005559100000000, -0.0001102500000000, -0.0004011700000000 ] - [ 0.0000680200000000, -0.0002323100000000, -0.0009791200000000 ] - [ 0.0005544700000000, 0.0006085400000000, -0.0003412800000000 ] - [ 0.0000941000000000, 0.0002112200000000, -0.0010142700000000 ] - [ -0.0017795200000000, 0.0014913900000000, 0.0147031800000000 ] - [ -0.0001330700000000, -0.0010949100000000, 0.0021652400000000 ] - [ 0.0001655800000000, -0.0033497700000000, 0.0009245000000000 ] - [ -0.0006539500000000, -0.0004652200000000, 0.0016613700000000 ] - [ -0.0004847200000000, -0.0007127800000000, -0.0004090700000000 ] - [ 0.0004937600000000, 0.0001824000000000, 0.0004702100000000 ] - [ -0.0001402900000000, -0.0001892700000000, -0.0018110400000000 ] - [ 0.0017833900000000, 0.0023165400000000, -0.0002471600000000 ] - [ -0.0012433300000000, -0.0004829200000000, 0.0003154600000000 ] - [ 0.0007781000000000, 0.0000389000000000, -0.0001196200000000 ] - [ 0.0000295100000000, -0.0000235400000000, -0.0005427800000000 ] - [ -0.0004755600000000, -0.0004210800000000, -0.0012159500000000 ] - [ -0.0003914500000000, -0.0000124000000000, -0.0013857700000000 ] - [ 0.0000051800000000, 0.0000038700000000, 0.0004662400000000 ] - [ -0.0001826400000000, -0.0012230500000000, -0.0041143100000000 ] - [ -0.0000828800000000, 0.0003477700000000, 0.0007610100000000 ] - [ -0.0004624100000000, 0.0007841300000000, -0.0003995300000000 ] - [ -0.0001794600000000, 0.0009107700000000, -0.0006551900000000 ] - [ 0.0001696500000000, -0.0001978400000000, 0.0002455300000000 ] - [ -0.0000791100000000, 0.0003718900000000, -0.0005303600000000 ] - [ 0.0002060300000000, 0.0000922300000000, 0.0005029800000000 ] - [ -0.0000655300000000, -0.0006091800000000, -0.0000613200000000 ] - [ -0.0007921500000000, -0.0001051000000000, 0.0009749800000000 ] - [ -0.0001218400000000, -0.0005790800000000, 0.0002637800000000 ] - [ -0.0000360800000000, 0.0000413500000000, -0.0012399200000000 ] - [ -0.0001838300000000, 0.0000655500000000, 0.0002613000000000 ] - [ 0.0004886700000000, -0.0005663400000000, -0.0019713600000000 ] - [ -0.0005826800000000, -0.0004896100000000, -0.0010758600000000 ] - [ -0.0004513800000000, -0.0000086300000000, -0.0008680800000000 ] - [ -0.0000930200000000, 0.0010129800000000, 0.0014121400000000 ] - [ 0.0005046400000000, 0.0000016700000000, -0.0004023800000000 ] - [ 0.0019552300000000, 0.0000896200000000, -0.0010149100000000 ] - [ 0.0006367200000000, 0.0007144700000000, 0.0014231000000000 ] - [ -0.0008075100000000, 0.0002996200000000, 0.0024426700000000 ] - [ 0.0004985800000000, 0.0001956400000000, -0.0005191400000000 ] - [ 0.0003602400000000, 0.0006593500000000, -0.0007069100000000 ] - [ -0.0006434200000000, 0.0001307700000000, 0.0009471800000000 ] - [ -0.0013319900000000, -0.0001328900000000, -0.0007165000000000 ] - [ 0.0008347500000000, -0.0004557200000000, 0.0022721100000000 ] - [ 0.0002770900000000, -0.0001521500000000, -0.0008944700000000 ] - [ -0.0004704300000000, -0.0001088700000000, -0.0002409100000000 ] - [ 0.0002708700000000, 0.0017051000000000, -0.0026421900000000 ] - [ 0.0007631200000000, 0.0001996700000000, 0.0002986000000000 ] - [ -0.0012605000000000, 0.0008911100000000, -0.0019390500000000 ] - [ 0.0001755900000000, 0.0003885800000000, 0.0010870600000000 ] - [ 0.0002157700000000, -0.0004582800000000, -0.0002993600000000 ] - [ 0.0010940600000000, 0.0018146800000000, 0.0137275600000000 ] - [ 0.0002151000000000, 0.0004079500000000, 0.0007810500000000 ] - [ 0.0016834400000000, -0.0011203300000000, -0.0008829600000000 ] - [ -0.0000589500000000, 0.0016876100000000, -0.0023156800000000 ]- atom: 68 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0010162300000000, 0.0005976500000000, -0.0018433300000000 ] - [ -0.0004353700000000, -0.0000681200000000, -0.0000037700000000 ] - [ 0.0008883300000000, -0.0005026000000000, -0.0013067300000000 ] - [ 0.0006260100000000, -0.0026649000000000, 0.0002792600000000 ] - [ -0.0009862000000000, -0.0004590300000000, 0.0004066500000000 ] - [ -0.0009343700000000, 0.0003185800000000, -0.0004521900000000 ] - [ 0.0008615600000000, 0.0003469900000000, 0.0011200100000000 ] - [ 0.0004357600000000, 0.0000718600000000, -0.0000463200000000 ] - [ 0.0006067000000000, 0.0026301800000000, 0.0003329600000000 ] - [ -0.0004473100000000, 0.0000680100000000, -0.0004849300000000 ] - [ -0.0013948000000000, -0.0003560900000000, -0.0003087300000000 ] - [ -0.0009172000000000, 0.0002803100000000, 0.0004822600000000 ] - [ 0.0009684800000000, -0.0005127700000000, 0.0017112100000000 ] - [ -0.0013971300000000, 0.0003776800000000, -0.0001235200000000 ] - [ -0.0008896100000000, -0.0001298100000000, -0.0004804100000000 ] - [ 0.0004391600000000, -0.0000670900000000, 0.0004133800000000 ] - [ 0.0000715400000000, -0.0000585800000000, 0.0000704900000000 ] - [ -0.0003116300000000, -0.0000369100000000, -0.0007502000000000 ] - [ -0.0000196600000000, -0.0000394700000000, -0.0006533000000000 ] - [ 0.0005331500000000, 0.0000020700000000, 0.0007759700000000 ] - [ 0.0060959200000000, 0.0000868200000000, 0.0000657900000000 ] - [ -0.0010596100000000, -0.0000592900000000, -0.0000458000000000 ] - [ -0.0024882400000000, 0.0000436500000000, -0.0000485100000000 ] - [ 0.0005388200000000, 0.0001173000000000, 0.0009977900000000 ] - [ 0.0010674700000000, -0.0003755600000000, 0.0000152900000000 ] - [ -0.0047862700000000, -0.0017351500000000, -0.0002644600000000 ] - [ 0.0387192400000000, 0.0027411800000000, -0.0046675400000000 ] - [ -0.0047442900000000, 0.0017160000000000, -0.0005673200000000 ] - [ -0.0010672700000000, 0.0003619900000000, 0.0001548300000000 ] - [ 0.0010447500000000, 0.0003661900000000, 0.0010074200000000 ] - [ -0.0010531700000000, -0.0003679900000000, -0.0008410300000000 ] - [ 0.0379509900000000, -0.0023237700000000, 0.0052895000000000 ] - [ -0.0000797200000000, -0.0008782800000000, 0.0017582600000000 ] - [ 0.0002996300000000, 0.0005650900000000, -0.0010853100000000 ] - [ -0.0082605000000000, 0.0059546700000000, -0.0034653100000000 ] - [ -0.0094273000000000, -0.0057778300000000, -0.0040255200000000 ] - [ 0.0004127100000000, -0.0007126800000000, -0.0020142000000000 ] - [ -0.0074834600000000, -0.0033965800000000, 0.0044021000000000 ] - [ 0.0188440100000000, -0.0003049500000000, 0.0000606500000000 ] - [ -0.0018006500000000, 0.0006217000000000, 0.0001010800000000 ] - [ 0.0000627500000000, -0.0003631300000000, 0.0020672800000000 ] - [ 0.0019159300000000, 0.0006209700000000, 0.0000949000000000 ] - [ 0.0014485500000000, 0.0000494900000000, 0.0003920600000000 ] - [ -0.0040226800000000, -0.0006820600000000, -0.0000524300000000 ] - [ 0.0122832100000000, -0.0003302700000000, -0.0002050800000000 ] - [ -0.0089647100000000, 0.0045660600000000, 0.0056444600000000 ] - [ -0.0040646200000000, -0.0000411000000000, -0.0002951200000000 ] - [ -0.0023208300000000, 0.0001180400000000, -0.0001742900000000 ] - [ 0.0007946900000000, 0.0002391000000000, -0.0000342400000000 ] - [ 0.0001693900000000, -0.0001760000000000, 0.0000010600000000 ] - [ 0.0002862100000000, -0.0000838000000000, 0.0002433400000000 ] - [ 0.0273942200000000, 0.0015294000000000, 0.0016580600000000 ] - [ -0.0008633700000000, 0.0000959700000000, -0.0002531700000000 ] - [ -0.0000458100000000, 0.0001472900000000, -0.0004165100000000 ] - [ 0.0000058400000000, 0.0013959900000000, 0.0018266100000000 ] - [ -0.0001001600000000, -0.0000779500000000, -0.0000962900000000 ] - [ -0.0003514200000000, -0.0001291000000000, 0.0003804400000000 ] - [ -0.0002760900000000, 0.0000705000000000, -0.0000951500000000 ] - [ -0.0001603400000000, -0.0016146900000000, 0.0016235900000000 ] - [ 0.0000402400000000, 0.0018325400000000, -0.0016993600000000 ] - [ -0.0001575600000000, -0.0000792300000000, 0.0000165300000000 ] - [ 0.0002434000000000, -0.0016394600000000, -0.0019213700000000 ] - [ -0.0000427500000000, 0.0000277400000000, 0.0000922400000000 ] - [ -0.0002175700000000, -0.0000882700000000, -0.0002386600000000 ] - [ 0.0002323800000000, -0.0000838900000000, 0.0003693900000000 ] - [ 0.0040203300000000, 0.0003468300000000, 0.0001381500000000 ] - [ 0.0010758700000000, 0.0007390100000000, 0.0004269600000000 ] - [ -0.1842343800000000, -0.0029025400000000, 0.0017862500000000 ] - [ -0.0006417400000000, -0.0006746000000000, -0.0008974600000000 ] - [ -0.0010295100000000, 0.0001179100000000, -0.0003971300000000 ] - [ 0.0015159200000000, 0.0031648000000000, -0.0014410800000000 ] - [ -0.0049756800000000, 0.0127280600000000, -0.0080473800000000 ] - [ -0.0005542500000000, -0.0000638500000000, 0.0000347500000000 ] - [ 0.0010999200000000, -0.0004457700000000, 0.0001871300000000 ] - [ 0.0007843800000000, -0.0005033400000000, -0.0002853400000000 ] - [ 0.0006027200000000, -0.0001553800000000, -0.0003352000000000 ] - [ -0.0000046600000000, 0.0005401300000000, 0.0015022500000000 ] - [ 0.0004516500000000, 0.0004213500000000, 0.0001550200000000 ] - [ 0.0007355300000000, 0.0002435000000000, -0.0003877600000000 ] - [ -0.0004970500000000, 0.0003430000000000, -0.0007720700000000 ] - [ -0.0013446500000000, -0.0003098200000000, 0.0000700900000000 ] - [ 0.0020940800000000, -0.0006963500000000, -0.0009553800000000 ] - [ -0.0000106700000000, 0.0000332900000000, 0.0002456800000000 ] - [ 0.0001262200000000, -0.0014993300000000, 0.0010580700000000 ] - [ 0.0005075600000000, 0.0007830800000000, -0.0000442200000000 ] - [ 0.0000201000000000, 0.0004960300000000, 0.0012115000000000 ] - [ 0.0024781400000000, -0.0012677500000000, 0.0008950900000000 ] - [ 0.0022704900000000, 0.0013475300000000, 0.0008938200000000 ] - [ 0.0029920400000000, -0.0000299800000000, 0.0002375900000000 ] - [ 0.0017556500000000, -0.0004096900000000, -0.0039313600000000 ] - [ -0.0010506400000000, -0.0007846200000000, -0.0004378500000000 ] - [ 0.0022749700000000, 0.0015104100000000, 0.0000198500000000 ] - [ 0.0002331600000000, 0.0002519900000000, -0.0021223100000000 ] - [ 0.0028134400000000, 0.0008280600000000, 0.0008124300000000 ] - [ 0.0188436500000000, 0.0057122500000000, -0.0145425600000000 ] - [ 0.0180496800000000, -0.0050075000000000, 0.0132020600000000 ] - [ -0.0008406900000000, 0.0000333200000000, -0.0002564900000000 ] - [ 0.0000568900000000, -0.0007166700000000, 0.0003766200000000 ] - [ 0.0009887400000000, 0.0006541400000000, 0.0002452900000000 ] - [ 0.0203177500000000, 0.0063841600000000, 0.0113961400000000 ] - [ 0.0007304200000000, 0.0005217200000000, -0.0003724800000000 ] - [ -0.0013928800000000, 0.0004178200000000, 0.0003056200000000 ] - [ -0.0043750900000000, 0.0005390600000000, -0.0002494100000000 ] - [ 0.0004582600000000, 0.0007403700000000, -0.0009598200000000 ] - [ -0.0010531000000000, 0.0002368300000000, 0.0002317900000000 ] - [ -0.0005818400000000, 0.0005365600000000, -0.0001608300000000 ] - [ -0.0035351200000000, -0.0107539100000000, 0.0070650900000000 ] - [ -0.0020401200000000, -0.0005276000000000, 0.0003714300000000 ] - [ 0.0001427200000000, -0.0012211000000000, -0.0016955100000000 ] - [ -0.0047279800000000, -0.0001898200000000, -0.0000064600000000 ] - [ 0.0008530900000000, 0.0000367100000000, 0.0002209900000000 ] - [ -0.0049994000000000, -0.0063796600000000, -0.0045599700000000 ] - [ 0.0009325200000000, -0.0004132200000000, -0.0003424900000000 ] - [ 0.0014913300000000, -0.0003747100000000, -0.0040717800000000 ] - [ 0.0000014700000000, -0.0000959700000000, -0.0002887600000000 ] - [ 0.0016611600000000, -0.0024401100000000, -0.0017743100000000 ] - [ -0.0011575400000000, 0.0005888800000000, 0.0005821300000000 ] - [ 0.0009691700000000, 0.0003329900000000, 0.0003592400000000 ] - [ 0.0014813800000000, 0.0023953900000000, 0.0039998100000000 ] - [ 0.0049630600000000, 0.0000380200000000, 0.0000120100000000 ] - [ -0.0002918000000000, -0.0003394400000000, 0.0006488900000000 ] - [ 0.0014953400000000, -0.0013459400000000, 0.0045504400000000 ] - [ 0.0021835700000000, -0.0014306800000000, -0.0001196600000000 ] - [ 0.0042131200000000, -0.0003607200000000, -0.0001939200000000 ] - [ 0.0044274400000000, 0.0000455000000000, 0.0002544300000000 ] - [ 0.0005782100000000, -0.0001618100000000, -0.0001527500000000 ] - [ -0.0012896900000000, -0.0001948600000000, 0.0000049800000000 ] - [ 0.0011474500000000, 0.0003353700000000, -0.0001645200000000 ] - [ 0.0000017800000000, 0.0000903500000000, 0.0011881500000000 ] - [ 0.0014799000000000, -0.0004162700000000, 0.0000704900000000 ] - [ 0.0221277700000000, -0.0067127100000000, -0.0129882600000000 ] - [ -0.0044374600000000, 0.0051285400000000, 0.0039681800000000 ] - [ 0.0024551900000000, 0.0010554300000000, -0.0008193700000000 ] - [ -0.0028079100000000, 0.0003220100000000, 0.0001353700000000 ] - [ 0.0019345200000000, -0.0026098900000000, 0.0002339500000000 ] - [ 0.0013105300000000, -0.0003493200000000, -0.0002185800000000 ]- atom: 68 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0010278300000000, -0.0003365200000000, 0.0018418400000000 ] - [ 0.0004358200000000, 0.0000683500000000, 0.0000037500000000 ] - [ -0.0008857800000000, 0.0004986200000000, 0.0011794000000000 ] - [ -0.0006531200000000, 0.0026638200000000, -0.0002772000000000 ] - [ 0.0009860100000000, 0.0001923800000000, -0.0004049800000000 ] - [ 0.0009345400000000, -0.0003197100000000, 0.0005801900000000 ] - [ -0.0008663800000000, -0.0006157500000000, -0.0011210000000000 ] - [ -0.0004385300000000, -0.0000720700000000, 0.0000454500000000 ] - [ -0.0005803100000000, -0.0026282200000000, 0.0005191200000000 ] - [ 0.0004457900000000, -0.0000677000000000, -0.0003668900000000 ] - [ 0.0013939000000000, 0.0003569500000000, -0.0005434200000000 ] - [ 0.0009179500000000, -0.0002810600000000, -0.0003576300000000 ] - [ -0.0009583900000000, 0.0005077300000000, -0.0018395400000000 ] - [ 0.0013970200000000, -0.0003766300000000, 0.0001228000000000 ] - [ 0.0008887200000000, 0.0003939500000000, 0.0004786400000000 ] - [ -0.0004368900000000, 0.0000668000000000, 0.0004374800000000 ] - [ -0.0011137400000000, -0.0000592700000000, 0.0000282100000000 ] - [ 0.0013428300000000, -0.0000829800000000, 0.0006461700000000 ] - [ 0.0010656500000000, -0.0000785100000000, 0.0007578000000000 ] - [ 0.0005061900000000, 0.0001162200000000, -0.0008835800000000 ] - [ -0.0071363000000000, 0.0000827300000000, 0.0000677000000000 ] - [ 0.0000179200000000, -0.0000591000000000, -0.0000598400000000 ] - [ 0.0014462000000000, 0.0000746200000000, -0.0000555500000000 ] - [ 0.0005046600000000, 0.0000016300000000, -0.0008900400000000 ] - [ -0.0010732400000000, 0.0003773500000000, -0.0000182900000000 ] - [ 0.0047849300000000, 0.0017297500000000, 0.0002625400000000 ] - [ -0.0354692000000000, -0.0011435900000000, 0.0064414300000000 ] - [ 0.0047459400000000, -0.0017211700000000, -0.0011452600000000 ] - [ 0.0010696600000000, -0.0003634500000000, -0.0001551100000000 ] - [ -0.0010408500000000, -0.0003647200000000, 0.0007015500000000 ] - [ 0.0010507600000000, 0.0003669000000000, -0.0008713500000000 ] - [ -0.0412938100000000, 0.0039955300000000, -0.0051217200000000 ] - [ 0.0001497400000000, -0.0003955300000000, -0.0016805300000000 ] - [ 0.0004703400000000, -0.0007119900000000, 0.0015953900000000 ] - [ 0.0083338700000000, -0.0046637200000000, 0.0033908800000000 ] - [ 0.0095035100000000, 0.0070726700000000, 0.0040982200000000 ] - [ 0.0003449700000000, 0.0005669900000000, 0.0015012200000000 ] - [ 0.0082399300000000, 0.0035525600000000, -0.0048994200000000 ] - [ -0.0196210300000000, 0.0001480800000000, 0.0004318000000000 ] - [ 0.0017264600000000, 0.0006524700000000, -0.0000245800000000 ] - [ 0.0000184900000000, -0.0009103500000000, -0.0021463400000000 ] - [ -0.0019918500000000, 0.0006569200000000, -0.0001969600000000 ] - [ -0.0022150100000000, 0.0001019300000000, 0.0001243300000000 ] - [ 0.0039469700000000, -0.0005918800000000, 0.0001369000000000 ] - [ -0.0123628300000000, -0.0009940600000000, 0.0001300100000000 ] - [ 0.0097345500000000, -0.0044076700000000, -0.0051392700000000 ] - [ 0.0032998800000000, -0.0001082100000000, -0.0002190900000000 ] - [ 0.0015548500000000, 0.0000318700000000, -0.0003331200000000 ] - [ -0.0005939100000000, 0.0000457700000000, 0.0000969700000000 ] - [ 0.0000296600000000, -0.0000902100000000, 0.0000877200000000 ] - [ -0.0002017500000000, -0.0000871300000000, 0.0002365200000000 ] - [ -0.0273370700000000, 0.0016906600000000, 0.0021163700000000 ] - [ 0.0009480300000000, 0.0000747200000000, -0.0002263700000000 ] - [ -0.0000405800000000, 0.0000231600000000, -0.0000625000000000 ] - [ -0.0002026700000000, -0.0016616300000000, -0.0017391100000000 ] - [ 0.0002997200000000, -0.0001948500000000, 0.0000159600000000 ] - [ 0.0002718000000000, -0.0000418700000000, 0.0000999400000000 ] - [ 0.0004755900000000, 0.0002007000000000, 0.0000121100000000 ] - [ -0.0000410800000000, 0.0013460000000000, -0.0017087400000000 ] - [ -0.0002391000000000, -0.0015548600000000, 0.0017763100000000 ] - [ 0.0000695000000000, -0.0000913200000000, -0.0004959700000000 ] - [ -0.0004468700000000, 0.0019191000000000, 0.0018460400000000 ] - [ -0.0000419000000000, 0.0001429400000000, 0.0003867600000000 ] - [ 0.0003021400000000, -0.0000823900000000, -0.0002408900000000 ] - [ -0.0010923500000000, 0.0005640600000000, -0.0004716000000000 ] - [ -0.0040065100000000, -0.0006015500000000, 0.0003981600000000 ] - [ -0.0020370400000000, 0.0007575900000000, 0.0003643700000000 ] - [ 0.1844744100000000, -0.0033549900000000, -0.0057516300000000 ] - [ 0.0006081700000000, -0.0001454800000000, 0.0002947300000000 ] - [ 0.0010530000000000, 0.0006988300000000, -0.0002011900000000 ] - [ -0.0013443900000000, -0.0022114700000000, 0.0017350100000000 ] - [ 0.0043744100000000, -0.0127833400000000, 0.0084954100000000 ] - [ 0.0014148700000000, -0.0004173800000000, -0.0001376900000000 ] - [ -0.0012740200000000, -0.0005207400000000, 0.0001065600000000 ] - [ -0.0009330500000000, -0.0004597700000000, -0.0004359100000000 ] - [ -0.0005991400000000, 0.0004106300000000, 0.0008738400000000 ] - [ 0.0001794500000000, -0.0015122600000000, -0.0012139900000000 ] - [ -0.0006255800000000, 0.0005446200000000, 0.0001358600000000 ] - [ -0.0012988800000000, -0.0001790300000000, -0.0000691300000000 ] - [ 0.0005073700000000, -0.0000902700000000, 0.0002348000000000 ] - [ 0.0017335800000000, -0.0003604300000000, 0.0002798700000000 ] - [ -0.0026581800000000, 0.0006331600000000, 0.0005004800000000 ] - [ -0.0000040300000000, -0.0001004800000000, 0.0002289100000000 ] - [ 0.0000450500000000, 0.0005285700000000, -0.0013464900000000 ] - [ 0.0004539500000000, 0.0007151700000000, 0.0008377500000000 ] - [ -0.0004113000000000, 0.0001712800000000, -0.0008539500000000 ] - [ -0.0024504600000000, 0.0004499700000000, -0.0002944500000000 ] - [ -0.0013095000000000, -0.0028608000000000, -0.0000997600000000 ] - [ -0.0029760100000000, -0.0000365400000000, 0.0002366200000000 ] - [ -0.0021350700000000, -0.0002580300000000, 0.0042617800000000 ] - [ 0.0000902500000000, -0.0007127500000000, -0.0003489000000000 ] - [ -0.0022928400000000, -0.0014343700000000, -0.0004954500000000 ] - [ -0.0000838100000000, -0.0012169900000000, 0.0014073700000000 ] - [ -0.0019575500000000, -0.0003474100000000, -0.0007094300000000 ] - [ -0.0199217200000000, -0.0062607300000000, 0.0148449000000000 ] - [ -0.0178856300000000, 0.0057900600000000, -0.0136120100000000 ] - [ 0.0008581700000000, 0.0000338900000000, -0.0002166800000000 ] - [ -0.0010181000000000, -0.0007822200000000, 0.0004172300000000 ] - [ -0.0009608200000000, 0.0001653500000000, 0.0003591600000000 ] - [ -0.0205703100000000, -0.0066921000000000, -0.0121224100000000 ] - [ -0.0008790800000000, 0.0004418000000000, -0.0003427600000000 ] - [ 0.0012440900000000, 0.0005379900000000, 0.0004354400000000 ] - [ 0.0034143300000000, 0.0009988400000000, -0.0005652100000000 ] - [ 0.0004996400000000, 0.0007560000000000, 0.0001666800000000 ] - [ 0.0010510300000000, -0.0004934900000000, 0.0003118500000000 ] - [ 0.0004092800000000, 0.0004258900000000, -0.0001350700000000 ] - [ 0.0044264000000000, 0.0112506000000000, -0.0071798100000000 ] - [ 0.0018926200000000, -0.0004301100000000, 0.0003276400000000 ] - [ 0.0000007300000000, 0.0002546300000000, 0.0024104400000000 ] - [ 0.0045564700000000, -0.0007405200000000, -0.0002692600000000 ] - [ -0.0008371500000000, 0.0000315000000000, 0.0002537600000000 ] - [ 0.0049704100000000, 0.0066554100000000, 0.0050991700000000 ] - [ -0.0009409300000000, 0.0001600800000000, -0.0001945300000000 ] - [ -0.0018873500000000, -0.0002920100000000, 0.0037367800000000 ] - [ -0.0000216900000000, 0.0000284100000000, -0.0001852800000000 ] - [ -0.0014869200000000, 0.0033846600000000, 0.0014766200000000 ] - [ 0.0003043900000000, -0.0001100900000000, -0.0004796800000000 ] - [ -0.0004049100000000, -0.0003971400000000, -0.0008138600000000 ] - [ -0.0013400000000000, -0.0014459900000000, -0.0047434900000000 ] - [ -0.0050087500000000, 0.0007806800000000, 0.0005948800000000 ] - [ 0.0008511700000000, 0.0002745800000000, -0.0001925200000000 ] - [ -0.0013426200000000, 0.0022981500000000, -0.0038128300000000 ] - [ -0.0022021400000000, 0.0015060200000000, 0.0005928900000000 ] - [ -0.0036590000000000, 0.0004247300000000, -0.0002628400000000 ] - [ -0.0052690600000000, -0.0005264900000000, -0.0003548300000000 ] - [ -0.0006058100000000, -0.0006570700000000, 0.0007567800000000 ] - [ 0.0007245000000000, 0.0002580700000000, 0.0004495500000000 ] - [ -0.0007605000000000, 0.0003309900000000, -0.0001903400000000 ] - [ -0.0003862400000000, 0.0005767200000000, -0.0015439000000000 ] - [ -0.0006238500000000, -0.0000633300000000, 0.0000303400000000 ] - [ -0.0212810300000000, 0.0066951700000000, 0.0132469200000000 ] - [ 0.0044655500000000, -0.0059393900000000, -0.0045776300000000 ] - [ -0.0024625200000000, -0.0008005200000000, 0.0002794800000000 ] - [ 0.0031977800000000, 0.0003538800000000, 0.0002376400000000 ] - [ -0.0009768600000000, 0.0011030200000000, -0.0010274500000000 ] - [ -0.0009228800000000, -0.0003174400000000, -0.0001409700000000 ]- atom: 68 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0004270500000000, 0.0008544100000000, 0.0002839900000000 ] - [ -0.0000329200000000, -0.0000268000000000, 0.0000228900000000 ] - [ -0.0003005300000000, 0.0005997600000000, -0.0003511300000000 ] - [ -0.0022513100000000, -0.0040471800000000, -0.0003785200000000 ] - [ -0.0000245600000000, 0.0000058000000000, -0.0000538600000000 ] - [ 0.0000399600000000, 0.0001235800000000, -0.0000158400000000 ] - [ 0.0003904700000000, 0.0004848200000000, -0.0004492300000000 ] - [ 0.0000489100000000, -0.0000359200000000, 0.0000384400000000 ] - [ 0.0020937300000000, -0.0039500900000000, -0.0003240100000000 ] - [ 0.0000347200000000, -0.0000287000000000, -0.0004063500000000 ] - [ -0.0000097100000000, -0.0001710800000000, -0.0004635900000000 ] - [ -0.0000333200000000, 0.0001316300000000, 0.0001310200000000 ] - [ -0.0005429100000000, 0.0008221200000000, 0.0004127900000000 ] - [ 0.0000078000000000, -0.0001722100000000, -0.0000263900000000 ] - [ 0.0000131800000000, 0.0002447800000000, 0.0000886100000000 ] - [ -0.0000503200000000, -0.0000343300000000, 0.0004615900000000 ] - [ -0.0005322100000000, -0.0001530400000000, 0.0005027800000000 ] - [ 0.0017234400000000, -0.0002234500000000, 0.0000801800000000 ] - [ -0.0002786600000000, -0.0002877900000000, -0.0000758400000000 ] - [ 0.0005569400000000, 0.0000284100000000, 0.0001456400000000 ] - [ -0.0005331100000000, 0.0048388700000000, 0.0037810600000000 ] - [ -0.0005260500000000, -0.0000707100000000, -0.0000172800000000 ] - [ -0.0005016500000000, 0.0000175600000000, -0.0001376400000000 ] - [ 0.0004528900000000, 0.0000252500000000, -0.0000907100000000 ] - [ 0.0000875100000000, 0.0001685000000000, 0.0001708100000000 ] - [ -0.0003975800000000, 0.0008685900000000, -0.0000942900000000 ] - [ 0.0127210200000000, 0.0241553900000000, 0.0010024700000000 ] - [ 0.0003839000000000, 0.0008713100000000, -0.0009445900000000 ] - [ -0.0000974200000000, 0.0001324800000000, 0.0000538600000000 ] - [ -0.0000845200000000, 0.0001669400000000, 0.0009997500000000 ] - [ 0.0001033900000000, 0.0001391700000000, -0.0007585000000000 ] - [ -0.0137170600000000, 0.0245069300000000, 0.0004449700000000 ] - [ 0.0002377300000000, -0.0007011600000000, -0.0000134600000000 ] - [ 0.0001844700000000, -0.0003802300000000, 0.0000602000000000 ] - [ 0.0023237800000000, -0.0014750100000000, 0.0007477100000000 ] - [ -0.0018101400000000, -0.0015725000000000, -0.0007925100000000 ] - [ 0.0007078800000000, -0.0004266700000000, 0.0002283100000000 ] - [ -0.0018277800000000, -0.0019497100000000, 0.0009220800000000 ] - [ 0.0007987400000000, -0.0107030000000000, 0.0084400200000000 ] - [ -0.0000663000000000, 0.0006121200000000, 0.0002461700000000 ] - [ -0.0002756200000000, -0.0007093000000000, 0.0003165500000000 ] - [ -0.0000779700000000, 0.0005999700000000, -0.0003220200000000 ] - [ -0.0003419800000000, -0.0005044300000000, 0.0008961700000000 ] - [ -0.0000013100000000, -0.0008464000000000, -0.0000794200000000 ] - [ -0.0010797100000000, -0.0117035600000000, -0.0029102600000000 ] - [ 0.0024081200000000, -0.0021113900000000, -0.0010949100000000 ] - [ -0.0004064300000000, -0.0002396900000000, -0.0002370500000000 ] - [ -0.0003515600000000, 0.0000120100000000, -0.0004226900000000 ] - [ 0.0000799500000000, -0.0001877400000000, -0.0002632900000000 ] - [ 0.0001557200000000, -0.0009642800000000, -0.0005451000000000 ] - [ 0.0000440600000000, -0.0000894700000000, 0.0002142400000000 ] - [ 0.0001979600000000, 0.1868782600000000, 0.2101894400000000 ] - [ 0.0000311500000000, 0.0000600800000000, -0.0002393800000000 ] - [ -0.0000188800000000, 0.0000840100000000, -0.0002510700000000 ] - [ -0.0003493600000000, -0.0006394300000000, -0.0002157000000000 ] - [ 0.0001007100000000, -0.0001505400000000, -0.0000573100000000 ] - [ -0.0007021200000000, -0.0001825900000000, 0.0001635800000000 ] - [ 0.0000965200000000, 0.0001222100000000, -0.0000083300000000 ] - [ 0.0000188200000000, -0.0005932800000000, 0.0002453600000000 ] - [ -0.0001390900000000, -0.0002860700000000, 0.0004308500000000 ] - [ 0.0004132300000000, -0.0002353300000000, -0.0002861200000000 ] - [ -0.0000081900000000, -0.0002474800000000, -0.0003753300000000 ] - [ -0.0000536700000000, 0.0000846800000000, 0.0002748700000000 ] - [ 0.0000466600000000, -0.0000951700000000, -0.0002411700000000 ] - [ -0.0003435800000000, 0.0002638300000000, -0.0000059000000000 ] - [ -0.0008598500000000, -0.0001815800000000, 0.0004579000000000 ] - [ -0.0004903300000000, 0.0008948800000000, 0.0004531300000000 ] - [ 0.0002306100000000, -0.2679410600000000, -0.2093694900000000 ] - [ 0.0001829000000000, -0.0004147700000000, -0.0004514500000000 ] - [ 0.0000715100000000, 0.0003573400000000, -0.0002936500000000 ] - [ 0.0002636600000000, 0.0014205300000000, -0.0000834600000000 ] - [ 0.0051149600000000, 0.0141336200000000, -0.0103278500000000 ] - [ 0.0004210300000000, -0.0001844100000000, -0.0002463500000000 ] - [ -0.0000810200000000, -0.0003655300000000, 0.0001151000000000 ] - [ -0.0000858300000000, -0.0004454100000000, -0.0003007400000000 ] - [ 0.0001594800000000, 0.0000255200000000, 0.0001794900000000 ] - [ -0.0000004800000000, -0.0001330300000000, 0.0002523000000000 ] - [ -0.0000902900000000, 0.0005329400000000, 0.0001786700000000 ] - [ -0.0003317700000000, 0.0000014400000000, -0.0001778600000000 ] - [ -0.0001413500000000, 0.0001410600000000, -0.0002899800000000 ] - [ 0.0001943000000000, -0.0007291100000000, -0.0007183700000000 ] - [ -0.0003940800000000, -0.0000430600000000, -0.0001590800000000 ] - [ -0.0000758400000000, -0.0000846900000000, 0.0001906200000000 ] - [ 0.0001267400000000, -0.0001467800000000, -0.0003454200000000 ] - [ 0.0004358200000000, 0.0008430900000000, 0.0003675700000000 ] - [ 0.0000733700000000, 0.0003360800000000, 0.0004079500000000 ] - [ -0.0001369200000000, -0.0004237900000000, 0.0002932800000000 ] - [ 0.0004864100000000, 0.0001990800000000, 0.0005410200000000 ] - [ 0.0000114700000000, -0.0002045700000000, 0.0002606600000000 ] - [ -0.0005836100000000, -0.0002005100000000, 0.0012236300000000 ] - [ -0.0004695200000000, -0.0005465800000000, -0.0004015800000000 ] - [ 0.0014641100000000, -0.0007416200000000, -0.0001036300000000 ] - [ -0.0001342800000000, -0.0002695000000000, -0.0003900400000000 ] - [ 0.0005610500000000, 0.0002422400000000, 0.0001200000000000 ] - [ 0.0061266200000000, -0.0014225900000000, -0.0044094300000000 ] - [ -0.0051528600000000, -0.0013127300000000, -0.0039210600000000 ] - [ 0.0000092300000000, -0.0000151000000000, -0.0003056900000000 ] - [ -0.0004773700000000, -0.0006953500000000, 0.0003362900000000 ] - [ 0.0000143100000000, 0.0003745500000000, 0.0002025900000000 ] - [ 0.0044461800000000, -0.0014015100000000, 0.0025747400000000 ] - [ -0.0000589100000000, 0.0004930400000000, -0.0004922700000000 ] - [ -0.0000481000000000, 0.0004078100000000, 0.0006268700000000 ] - [ -0.0004811200000000, 0.0101365000000000, -0.0036892700000000 ] - [ 0.0005475700000000, 0.0008905300000000, -0.0004692900000000 ] - [ -0.0000177200000000, -0.0001993600000000, 0.0002601600000000 ] - [ -0.0001193100000000, 0.0011034500000000, 0.0001588000000000 ] - [ -0.0047155400000000, 0.0116129700000000, -0.0080522900000000 ] - [ 0.0000938100000000, 0.0015381400000000, 0.0016870400000000 ] - [ 0.0004262500000000, -0.0002439300000000, 0.0001830900000000 ] - [ -0.0001555400000000, 0.0083510900000000, 0.0009510300000000 ] - [ 0.0000055200000000, 0.0000045000000000, 0.0002138100000000 ] - [ -0.0027797500000000, 0.0111549300000000, 0.0089059000000000 ] - [ 0.0000393400000000, -0.0001712900000000, -0.0003445700000000 ] - [ 0.0002915100000000, -0.0002270400000000, -0.0013310500000000 ] - [ 0.0000542600000000, -0.0000781900000000, -0.0002668900000000 ] - [ 0.0000689300000000, 0.0015933300000000, 0.0001215400000000 ] - [ -0.0006016000000000, 0.0002711500000000, -0.0001207300000000 ] - [ 0.0000954000000000, -0.0000566000000000, -0.0004090600000000 ] - [ 0.0002453600000000, 0.0009745700000000, 0.0004528200000000 ] - [ 0.0007493900000000, 0.0005207300000000, 0.0002401600000000 ] - [ 0.0004143300000000, 0.0000160900000000, 0.0002278600000000 ] - [ -0.0002030300000000, 0.0010208100000000, -0.0005190100000000 ] - [ -0.0014772200000000, -0.0007012200000000, 0.0003787300000000 ] - [ 0.0012701000000000, -0.0000520700000000, -0.0000640500000000 ] - [ -0.0012902400000000, -0.0001829400000000, -0.0000787100000000 ] - [ -0.0000851400000000, -0.0004477300000000, 0.0002779500000000 ] - [ -0.0003201600000000, 0.0000700800000000, 0.0000410400000000 ] - [ 0.0002076800000000, 0.0003475200000000, -0.0002084700000000 ] - [ -0.0005981000000000, 0.0003375000000000, -0.0006207500000000 ] - [ 0.0004409900000000, -0.0002601400000000, 0.0001174000000000 ] - [ -0.0053437300000000, -0.0007803800000000, 0.0037825000000000 ] - [ 0.0027233800000000, 0.0078402500000000, 0.0059951000000000 ] - [ 0.0001075300000000, 0.0001030800000000, -0.0002811600000000 ] - [ 0.0000039600000000, 0.0015817600000000, -0.0020501700000000 ] - [ 0.0002839600000000, 0.0000498400000000, -0.0004886600000000 ] - [ 0.0001747000000000, -0.0003256000000000, -0.0000428700000000 ]- atom: 68 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0004258300000000, -0.0005874700000000, -0.0002882400000000 ] - [ 0.0000325100000000, 0.0000261900000000, -0.0000229400000000 ] - [ 0.0002977200000000, -0.0005951200000000, 0.0002256400000000 ] - [ 0.0023012400000000, 0.0040797400000000, 0.0003776800000000 ] - [ 0.0000244700000000, -0.0002714700000000, 0.0000530100000000 ] - [ -0.0000389400000000, -0.0001226400000000, 0.0001416700000000 ] - [ -0.0003882700000000, -0.0007465500000000, 0.0004503200000000 ] - [ -0.0000480000000000, 0.0000356000000000, -0.0000389100000000 ] - [ -0.0021419300000000, 0.0039819800000000, 0.0011847700000000 ] - [ -0.0000344800000000, 0.0000281700000000, -0.0004469400000000 ] - [ 0.0000100400000000, 0.0001698000000000, -0.0003892200000000 ] - [ 0.0000344800000000, -0.0001308800000000, -0.0000030300000000 ] - [ 0.0005413300000000, -0.0008203600000000, -0.0005436900000000 ] - [ -0.0000085000000000, 0.0001709000000000, 0.0000268600000000 ] - [ -0.0000133800000000, 0.0000220600000000, -0.0000875800000000 ] - [ 0.0000495400000000, 0.0000339300000000, 0.0003911300000000 ] - [ -0.0005093300000000, 0.0000343700000000, -0.0003975300000000 ] - [ -0.0006776900000000, 0.0001055700000000, -0.0001848300000000 ] - [ 0.0013139800000000, 0.0001703000000000, 0.0001812300000000 ] - [ 0.0004853500000000, 0.0000895100000000, -0.0002486800000000 ] - [ -0.0005081100000000, -0.0048143600000000, -0.0036132500000000 ] - [ -0.0005150200000000, -0.0000487700000000, -0.0000861800000000 ] - [ -0.0005396100000000, 0.0000999600000000, 0.0000324800000000 ] - [ 0.0005871400000000, 0.0000934800000000, 0.0001932900000000 ] - [ -0.0000856300000000, -0.0001688200000000, -0.0001710700000000 ] - [ 0.0003985900000000, -0.0008641400000000, 0.0000950500000000 ] - [ -0.0120924200000000, -0.0241066900000000, 0.0007763600000000 ] - [ -0.0003843200000000, -0.0008672100000000, -0.0007663900000000 ] - [ 0.0000962300000000, -0.0001319100000000, -0.0000546000000000 ] - [ 0.0000817800000000, -0.0001674300000000, 0.0007125900000000 ] - [ -0.0001012000000000, -0.0001381800000000, -0.0009550000000000 ] - [ 0.0130692900000000, -0.0244638100000000, -0.0003714000000000 ] - [ -0.0001600900000000, -0.0005715600000000, 0.0000949800000000 ] - [ 0.0005785800000000, 0.0002281400000000, 0.0004469900000000 ] - [ -0.0022398000000000, 0.0027193200000000, -0.0008282000000000 ] - [ 0.0018673300000000, 0.0028124000000000, 0.0008650100000000 ] - [ 0.0000625100000000, 0.0002751700000000, -0.0007375200000000 ] - [ 0.0025865700000000, 0.0020907800000000, -0.0014186500000000 ] - [ -0.0015670000000000, 0.0106105400000000, -0.0079423600000000 ] - [ -0.0000062600000000, 0.0006593500000000, -0.0001636800000000 ] - [ 0.0003456200000000, -0.0005629600000000, -0.0003976600000000 ] - [ 0.0000026800000000, 0.0006709500000000, 0.0002457000000000 ] - [ -0.0004250900000000, 0.0006469600000000, -0.0003845300000000 ] - [ -0.0000718200000000, -0.0004264900000000, 0.0001597900000000 ] - [ 0.0010115100000000, 0.0105062200000000, 0.0028327400000000 ] - [ -0.0016203000000000, 0.0022432600000000, 0.0015836700000000 ] - [ -0.0003602700000000, 0.0000896100000000, -0.0002698800000000 ] - [ -0.0004150400000000, 0.0001371400000000, -0.0000885500000000 ] - [ 0.0001192600000000, 0.0004499000000000, 0.0003652300000000 ] - [ 0.0000445400000000, 0.0006838600000000, 0.0006157400000000 ] - [ 0.0000407600000000, -0.0000831300000000, 0.0002664200000000 ] - [ -0.0000888000000000, -0.1906612300000000, -0.2212654100000000 ] - [ 0.0000538900000000, 0.0001113600000000, -0.0002420100000000 ] - [ -0.0000654600000000, 0.0000883700000000, -0.0002312900000000 ] - [ 0.0001471600000000, 0.0003649900000000, 0.0002954100000000 ] - [ 0.0000992000000000, -0.0001210200000000, -0.0000251600000000 ] - [ 0.0006146100000000, 0.0000116900000000, 0.0003168500000000 ] - [ 0.0001034400000000, 0.0001490700000000, -0.0000728600000000 ] - [ -0.0002169700000000, 0.0003191500000000, -0.0003248500000000 ] - [ -0.0000620100000000, 0.0005527800000000, -0.0003457600000000 ] - [ -0.0004953300000000, 0.0000632100000000, -0.0001950900000000 ] - [ -0.0001901800000000, 0.0005145300000000, 0.0002901700000000 ] - [ -0.0000315900000000, 0.0000873400000000, 0.0002069800000000 ] - [ 0.0000383100000000, -0.0000777100000000, -0.0002407800000000 ] - [ -0.0005131300000000, 0.0002173600000000, -0.0000972000000000 ] - [ 0.0008553600000000, -0.0000740700000000, 0.0000825800000000 ] - [ -0.0004706700000000, 0.0005957900000000, 0.0003364700000000 ] - [ -0.0002267000000000, 0.2712316900000000, 0.2202874900000000 ] - [ -0.0002064800000000, -0.0004017200000000, -0.0001493100000000 ] - [ -0.0000425600000000, 0.0004604300000000, -0.0003093800000000 ] - [ -0.0000915400000000, -0.0004395100000000, 0.0003712400000000 ] - [ -0.0055529400000000, -0.0140700700000000, 0.0106426000000000 ] - [ 0.0004362400000000, -0.0002962100000000, 0.0001418600000000 ] - [ -0.0000924400000000, -0.0006042300000000, 0.0001743200000000 ] - [ -0.0000624500000000, -0.0005209500000000, -0.0004116600000000 ] - [ -0.0001541200000000, 0.0002301900000000, 0.0003620800000000 ] - [ 0.0001720700000000, -0.0008348900000000, 0.0000402600000000 ] - [ -0.0000833300000000, 0.0004355100000000, 0.0001126800000000 ] - [ -0.0002331600000000, 0.0000594200000000, -0.0002742100000000 ] - [ 0.0001433000000000, 0.0001155600000000, -0.0002510600000000 ] - [ 0.0001949600000000, 0.0000638600000000, 0.0010752800000000 ] - [ -0.0001698200000000, -0.0000198900000000, -0.0002950300000000 ] - [ 0.0000573800000000, 0.0000141600000000, 0.0002851900000000 ] - [ 0.0000478700000000, -0.0008205900000000, 0.0000534000000000 ] - [ 0.0005238900000000, 0.0006484900000000, 0.0004219800000000 ] - [ -0.0004594500000000, 0.0003307400000000, -0.0000455100000000 ] - [ 0.0001607800000000, -0.0003931400000000, 0.0003073700000000 ] - [ 0.0004704800000000, -0.0016782700000000, 0.0002464500000000 ] - [ 0.0000049100000000, 0.0001330700000000, 0.0002133400000000 ] - [ 0.0001940800000000, -0.0004673100000000, -0.0008582500000000 ] - [ -0.0004908600000000, -0.0009442000000000, -0.0003888000000000 ] - [ -0.0014796700000000, 0.0008041100000000, -0.0003717100000000 ] - [ 0.0002801300000000, -0.0006957200000000, -0.0003246000000000 ] - [ 0.0002966500000000, 0.0002376900000000, -0.0000172100000000 ] - [ -0.0069245000000000, 0.0010057300000000, 0.0044858700000000 ] - [ 0.0050495700000000, 0.0021904500000000, 0.0032852400000000 ] - [ 0.0000083100000000, 0.0000842900000000, -0.0001685900000000 ] - [ -0.0004837200000000, -0.0007958000000000, 0.0004533100000000 ] - [ 0.0000105700000000, 0.0004414500000000, 0.0003981400000000 ] - [ -0.0043865000000000, 0.0012028800000000, -0.0030968800000000 ] - [ -0.0000892700000000, 0.0004722600000000, -0.0002225700000000 ] - [ -0.0000987700000000, 0.0005650800000000, 0.0000802800000000 ] - [ -0.0004770800000000, -0.0087492600000000, 0.0029722700000000 ] - [ 0.0004143800000000, 0.0006004400000000, -0.0003201000000000 ] - [ 0.0000122300000000, -0.0000571700000000, 0.0002792700000000 ] - [ -0.0000539500000000, -0.0001272000000000, -0.0004449500000000 ] - [ 0.0054734700000000, -0.0110363100000000, 0.0078514500000000 ] - [ -0.0002415300000000, -0.0025193800000000, -0.0009436300000000 ] - [ -0.0002757000000000, -0.0007207300000000, 0.0005314200000000 ] - [ -0.0000176400000000, -0.0093403700000000, -0.0012809000000000 ] - [ 0.0000106000000000, 0.0000652400000000, 0.0002619300000000 ] - [ 0.0026788200000000, -0.0108059100000000, -0.0082541200000000 ] - [ -0.0000434600000000, -0.0000859600000000, -0.0001968000000000 ] - [ -0.0006788800000000, -0.0004410100000000, 0.0009664900000000 ] - [ -0.0000693800000000, 0.0000076500000000, -0.0002077400000000 ] - [ 0.0001056200000000, -0.0006111500000000, -0.0004101700000000 ] - [ -0.0002597500000000, 0.0002106300000000, 0.0002252900000000 ] - [ 0.0004666800000000, -0.0000059200000000, -0.0000438300000000 ] - [ -0.0000957500000000, -0.0000036300000000, -0.0011580300000000 ] - [ -0.0007682500000000, 0.0002989600000000, 0.0003629600000000 ] - [ 0.0001524900000000, -0.0000777500000000, 0.0002252300000000 ] - [ 0.0003475800000000, -0.0000485500000000, 0.0012226700000000 ] - [ 0.0014587400000000, 0.0007650300000000, 0.0000946500000000 ] - [ -0.0007006500000000, 0.0001136500000000, -0.0003915200000000 ] - [ 0.0004260400000000, -0.0002984900000000, -0.0000232500000000 ] - [ 0.0000577500000000, -0.0003700500000000, 0.0003238900000000 ] - [ -0.0002419900000000, -0.0000072200000000, 0.0004111000000000 ] - [ 0.0001808000000000, 0.0003196900000000, -0.0001541300000000 ] - [ 0.0002065100000000, 0.0003286200000000, 0.0002595900000000 ] - [ 0.0004171100000000, -0.0002215900000000, -0.0000120900000000 ] - [ 0.0058628100000000, 0.0008987200000000, -0.0033100800000000 ] - [ -0.0026205800000000, -0.0085955400000000, -0.0065234900000000 ] - [ -0.0001117400000000, 0.0001527000000000, -0.0002601800000000 ] - [ 0.0003845300000000, -0.0009275600000000, 0.0024016200000000 ] - [ 0.0006809400000000, -0.0015300900000000, -0.0002983900000000 ] - [ 0.0002138100000000, -0.0003418700000000, -0.0003159500000000 ]- atom: 68 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0009513400000000, 0.0002829300000000, -0.0015138600000000 ] - [ -0.0000069700000000, -0.0000129600000000, -0.0004362600000000 ] - [ -0.0006556200000000, -0.0001171300000000, -0.0012808200000000 ] - [ 0.0005172500000000, 0.0003457500000000, 0.0029244600000000 ] - [ 0.0002912500000000, -0.0000264300000000, -0.0001183600000000 ] - [ -0.0002849300000000, 0.0001093300000000, -0.0001038400000000 ] - [ 0.0006866700000000, -0.0002423200000000, -0.0011812700000000 ] - [ 0.0000050400000000, 0.0000284800000000, -0.0008084100000000 ] - [ -0.0001799300000000, 0.0001863400000000, 0.0033079800000000 ] - [ -0.0000296100000000, 0.0000064700000000, -0.0008624600000000 ] - [ 0.0000668700000000, 0.0000400300000000, 0.0003598000000000 ] - [ 0.0003104800000000, -0.0001051200000000, -0.0000626400000000 ] - [ 0.0009615700000000, 0.0002167600000000, -0.0015255300000000 ] - [ -0.0000376800000000, -0.0000223400000000, 0.0007910800000000 ] - [ -0.0003096500000000, 0.0000321000000000, -0.0001700700000000 ] - [ -0.0000275600000000, 0.0000162000000000, -0.0003843300000000 ] - [ -0.0005071300000000, -0.0000857600000000, -0.0010404000000000 ] - [ -0.0005058000000000, -0.0000676600000000, 0.0002550700000000 ] - [ -0.0005329200000000, -0.0000559900000000, 0.0003968200000000 ] - [ 0.0007247500000000, 0.0000691100000000, -0.0006519400000000 ] - [ -0.0005251500000000, -0.0017531500000000, 0.0042794800000000 ] - [ -0.0005301400000000, -0.0000466600000000, -0.0002557700000000 ] - [ -0.0005173600000000, 0.0000220800000000, 0.0001113500000000 ] - [ 0.0006965100000000, 0.0000537600000000, -0.0005425300000000 ] - [ 0.0000163800000000, -0.0000999900000000, -0.0023373300000000 ] - [ 0.0000614900000000, 0.0000193000000000, 0.0024269500000000 ] - [ 0.0039392800000000, 0.0042271300000000, 0.0225526200000000 ] - [ 0.0000950200000000, 0.0000155000000000, 0.0015718500000000 ] - [ -0.0000312000000000, 0.0000397100000000, -0.0012064800000000 ] - [ -0.0000463500000000, -0.0000429400000000, -0.0014844500000000 ] - [ -0.0000268300000000, -0.0000197200000000, -0.0020621500000000 ] - [ -0.0051423900000000, 0.0045665700000000, 0.0218061500000000 ] - [ 0.0005388000000000, -0.0005945900000000, -0.0015415900000000 ] - [ -0.0001011200000000, 0.0001567300000000, -0.0012309500000000 ] - [ -0.0046116200000000, 0.0033070100000000, -0.0005320200000000 ] - [ -0.0044207500000000, -0.0023870600000000, -0.0007252900000000 ] - [ -0.0001609000000000, -0.0002627300000000, -0.0017873100000000 ] - [ 0.0047043100000000, 0.0013536900000000, -0.0018102900000000 ] - [ -0.0014125700000000, 0.0023111300000000, -0.0021606300000000 ] - [ -0.0000034600000000, 0.0006438400000000, -0.0006356400000000 ] - [ 0.0005752300000000, -0.0006696900000000, -0.0016370100000000 ] - [ -0.0000273500000000, 0.0010353000000000, -0.0042862600000000 ] - [ -0.0004231600000000, 0.0001652500000000, -0.0037471200000000 ] - [ -0.0000904300000000, -0.0007142300000000, 0.0003374100000000 ] - [ -0.0011774000000000, -0.0037798300000000, -0.0025381900000000 ] - [ 0.0048315200000000, -0.0016407200000000, -0.0014851400000000 ] - [ -0.0004296700000000, 0.0000579500000000, 0.0000881100000000 ] - [ -0.0003467700000000, 0.0000658100000000, -0.0009727000000000 ] - [ 0.0001766700000000, 0.0004152300000000, -0.0012769300000000 ] - [ 0.0001793100000000, -0.0012765900000000, -0.0014299000000000 ] - [ 0.0000444300000000, -0.0000495600000000, -0.0001174800000000 ] - [ 0.0001081300000000, 0.2019458200000000, 0.2625717400000000 ] - [ 0.0000490900000000, 0.0001109900000000, -0.0000541200000000 ] - [ -0.0001222800000000, 0.0001000300000000, -0.0004605200000000 ] - [ 0.0000603300000000, -0.0004958900000000, -0.0004730900000000 ] - [ 0.0000944700000000, -0.0000672500000000, -0.0001593000000000 ] - [ 0.0005691300000000, -0.0000297800000000, 0.0006455400000000 ] - [ 0.0001061200000000, 0.0001817900000000, -0.0000431500000000 ] - [ 0.0001138500000000, 0.0003211100000000, -0.0006553200000000 ] - [ -0.0001618600000000, 0.0009052500000000, -0.0007868500000000 ] - [ 0.0005415600000000, -0.0001761300000000, 0.0001493400000000 ] - [ -0.0000857300000000, -0.0005345000000000, -0.0007826300000000 ] - [ -0.0001375200000000, 0.0000710600000000, 0.0000221100000000 ] - [ 0.0000359500000000, -0.0000854400000000, -0.0003505600000000 ] - [ 0.0000393700000000, -0.0000339000000000, 0.0007104000000000 ] - [ 0.0026345700000000, 0.0004139200000000, -0.0007896700000000 ] - [ -0.0004579100000000, 0.0007862100000000, 0.0001059600000000 ] - [ 0.0037785400000000, -0.2071318900000000, -0.3268770000000000 ] - [ -0.0001499300000000, -0.0003213500000000, 0.0005924600000000 ] - [ -0.0005371600000000, -0.0000591600000000, 0.0012168400000000 ] - [ -0.0010144800000000, -0.0006936100000000, 0.0004135000000000 ] - [ -0.0047154000000000, -0.0099842400000000, 0.0011358800000000 ] - [ -0.0003143600000000, 0.0001791800000000, 0.0016454400000000 ] - [ -0.0000790300000000, -0.0005676100000000, -0.0000099000000000 ] - [ -0.0000648900000000, -0.0005280100000000, -0.0004208100000000 ] - [ -0.0004188000000000, 0.0003847700000000, 0.0009585000000000 ] - [ 0.0002169800000000, -0.0001697900000000, 0.0009368100000000 ] - [ -0.0000868800000000, 0.0004920800000000, 0.0004004600000000 ] - [ -0.0003431400000000, -0.0000629000000000, 0.0002414700000000 ] - [ -0.0000735900000000, 0.0000596400000000, 0.0005925300000000 ] - [ 0.0001358000000000, -0.0006457500000000, 0.0036617700000000 ] - [ -0.0003124800000000, -0.0000634700000000, -0.0006621800000000 ] - [ -0.0000011300000000, 0.0000123100000000, 0.0008709500000000 ] - [ 0.0002512500000000, -0.0008803500000000, 0.0006813000000000 ] - [ 0.0003420700000000, 0.0008341000000000, 0.0010224400000000 ] - [ 0.0002852800000000, 0.0004986500000000, 0.0010904600000000 ] - [ 0.0000951600000000, -0.0004027500000000, -0.0001257700000000 ] - [ 0.0014724700000000, 0.0002955000000000, -0.0003202800000000 ] - [ 0.0000080800000000, -0.0000588100000000, -0.0006227900000000 ] - [ -0.0011220700000000, -0.0002178500000000, 0.0012217900000000 ] - [ -0.0004830400000000, -0.0003554500000000, 0.0010786600000000 ] - [ -0.0002694700000000, -0.0000988800000000, -0.0022282000000000 ] - [ -0.0003182400000000, -0.0006728800000000, 0.0007663600000000 ] - [ 0.0005005500000000, 0.0001858700000000, -0.0004130300000000 ] - [ -0.0133128200000000, -0.0036297700000000, 0.0039587800000000 ] - [ 0.0128038200000000, -0.0031208900000000, 0.0034289600000000 ] - [ -0.0000107900000000, 0.0001039600000000, 0.0006564500000000 ] - [ -0.0004830800000000, -0.0008205900000000, 0.0006977400000000 ] - [ -0.0000185700000000, 0.0004837300000000, 0.0007436200000000 ] - [ 0.0106022900000000, 0.0033930500000000, 0.0017310600000000 ] - [ -0.0000899000000000, 0.0004386900000000, -0.0000094300000000 ] - [ -0.0001541900000000, 0.0003699800000000, 0.0038879600000000 ] - [ -0.0002522800000000, -0.0001715800000000, -0.0010921800000000 ] - [ 0.0003387000000000, 0.0006286300000000, 0.0002459800000000 ] - [ 0.0005898000000000, -0.0005931600000000, 0.0018062500000000 ] - [ -0.0001154800000000, 0.0007684400000000, 0.0014958900000000 ] - [ 0.0046067500000000, -0.0071893700000000, -0.0001112300000000 ] - [ 0.0000797900000000, 0.0001355600000000, 0.0028350600000000 ] - [ -0.0002937100000000, -0.0003521400000000, 0.0014372800000000 ] - [ 0.0000968200000000, -0.0000002200000000, -0.0001150100000000 ] - [ 0.0000247300000000, 0.0000113900000000, 0.0006387300000000 ] - [ -0.0040083700000000, 0.0098021500000000, 0.0048539800000000 ] - [ -0.0000249300000000, -0.0000499200000000, 0.0001461600000000 ] - [ -0.0011564300000000, -0.0004349800000000, 0.0009278800000000 ] - [ 0.0000438300000000, -0.0000646700000000, 0.0003958900000000 ] - [ -0.0008662100000000, 0.0015710500000000, 0.0000129500000000 ] - [ -0.0003885200000000, 0.0004156400000000, 0.0009672500000000 ] - [ 0.0007749400000000, 0.0002504000000000, 0.0005514100000000 ] - [ 0.0008471900000000, 0.0012618900000000, 0.0008164100000000 ] - [ 0.0024838900000000, 0.0000431600000000, -0.0006305300000000 ] - [ 0.0002772100000000, -0.0001911400000000, 0.0011053000000000 ] - [ 0.0009654000000000, -0.0003754900000000, 0.0017090900000000 ] - [ -0.0003606200000000, 0.0001769700000000, -0.0017269100000000 ] - [ -0.0022507800000000, 0.0006164100000000, -0.0013112600000000 ] - [ -0.0028651000000000, -0.0006686100000000, -0.0010870300000000 ] - [ -0.0004007600000000, -0.0006482900000000, 0.0009712500000000 ] - [ 0.0005052800000000, 0.0004580700000000, 0.0019250900000000 ] - [ 0.0002107600000000, 0.0003692300000000, -0.0002806000000000 ] - [ 0.0002913100000000, 0.0001423000000000, 0.0007377800000000 ] - [ 0.0004486800000000, -0.0003343600000000, 0.0005422100000000 ] - [ -0.0104666200000000, 0.0033213800000000, 0.0026248900000000 ] - [ 0.0039069500000000, 0.0063384200000000, 0.0024357300000000 ] - [ -0.0000328800000000, 0.0001353000000000, -0.0006660400000000 ] - [ 0.0003129100000000, 0.0003320300000000, 0.0018685600000000 ] - [ 0.0016331300000000, -0.0018046200000000, -0.0011087900000000 ] - [ 0.0001694100000000, -0.0002750000000000, 0.0002200800000000 ]- atom: 68 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0009672800000000, -0.0000239700000000, 0.0015283500000000 ] - [ 0.0000065700000000, 0.0000128800000000, 0.0004373000000000 ] - [ 0.0006533800000000, 0.0001146200000000, 0.0011565200000000 ] - [ -0.0005176000000000, -0.0003418400000000, -0.0029345100000000 ] - [ -0.0002920500000000, -0.0002405600000000, 0.0001178300000000 ] - [ 0.0002865800000000, -0.0001093300000000, 0.0002303500000000 ] - [ -0.0006861200000000, -0.0000265100000000, 0.0011850200000000 ] - [ -0.0000040200000000, -0.0000279000000000, 0.0008106700000000 ] - [ 0.0001781600000000, -0.0001801100000000, -0.0024647000000000 ] - [ 0.0000296800000000, -0.0000065000000000, 0.0000100900000000 ] - [ -0.0000675800000000, -0.0000399200000000, -0.0012148300000000 ] - [ -0.0003104300000000, 0.0001056700000000, 0.0001902800000000 ] - [ -0.0009770500000000, -0.0002269000000000, 0.0014106500000000 ] - [ 0.0000376800000000, 0.0000225500000000, -0.0007927300000000 ] - [ 0.0003099500000000, 0.0002344200000000, 0.0001707300000000 ] - [ 0.0000266900000000, -0.0000156600000000, 0.0012401000000000 ] - [ -0.0005345100000000, -0.0000320800000000, 0.0011457400000000 ] - [ 0.0015452600000000, -0.0000513300000000, -0.0003613700000000 ] - [ 0.0015764000000000, -0.0000616400000000, -0.0002914700000000 ] - [ 0.0003170900000000, 0.0000496700000000, 0.0005499100000000 ] - [ -0.0005230500000000, 0.0015301300000000, -0.0036235200000000 ] - [ -0.0005110400000000, -0.0000729000000000, 0.0001525800000000 ] - [ -0.0005239100000000, 0.0000967400000000, -0.0002166200000000 ] - [ 0.0003425700000000, 0.0000658800000000, 0.0006476000000000 ] - [ -0.0000137700000000, 0.0000969500000000, 0.0023448100000000 ] - [ -0.0000588300000000, -0.0000208500000000, -0.0024306300000000 ] - [ -0.0041341600000000, -0.0043920500000000, -0.0209641400000000 ] - [ -0.0000984000000000, -0.0000175400000000, -0.0032889200000000 ] - [ 0.0000300600000000, -0.0000399300000000, 0.0012090200000000 ] - [ 0.0000429600000000, 0.0000395400000000, 0.0032042300000000 ] - [ 0.0000288800000000, 0.0000200400000000, 0.0003522200000000 ] - [ 0.0053273200000000, -0.0047348500000000, -0.0219535000000000 ] - [ -0.0004645900000000, -0.0006774100000000, 0.0016283600000000 ] - [ 0.0008672400000000, -0.0003066000000000, 0.0017445500000000 ] - [ 0.0047137400000000, -0.0020509100000000, 0.0004537200000000 ] - [ 0.0044910800000000, 0.0036506100000000, 0.0007984800000000 ] - [ 0.0009318700000000, 0.0001147000000000, 0.0012786400000000 ] - [ -0.0039641400000000, -0.0012165100000000, 0.0013069100000000 ] - [ 0.0006452000000000, -0.0024728300000000, 0.0026300800000000 ] - [ -0.0000693400000000, 0.0006279700000000, 0.0007180200000000 ] - [ -0.0005067000000000, -0.0006019000000000, 0.0015571700000000 ] - [ -0.0000480500000000, 0.0002330900000000, 0.0042366500000000 ] - [ -0.0003441100000000, -0.0000115400000000, 0.0042564800000000 ] - [ 0.0000171000000000, -0.0005571100000000, -0.0002584700000000 ] - [ 0.0011138500000000, 0.0025402900000000, 0.0024806500000000 ] - [ -0.0040588600000000, 0.0017800900000000, 0.0019839600000000 ] - [ -0.0003370000000000, -0.0002068300000000, -0.0005958200000000 ] - [ -0.0004198600000000, 0.0000838300000000, 0.0004645800000000 ] - [ 0.0000232600000000, -0.0001197700000000, 0.0013594800000000 ] - [ 0.0000198700000000, 0.0010116400000000, 0.0015182100000000 ] - [ 0.0000403100000000, -0.0001225100000000, 0.0005999300000000 ] - [ -0.0000037400000000, -0.2168260300000000, -0.2730432900000000 ] - [ 0.0000357000000000, 0.0000608000000000, -0.0004272900000000 ] - [ 0.0000383400000000, 0.0000726300000000, -0.0000209000000000 ] - [ -0.0002601700000000, 0.0002250600000000, 0.0005550600000000 ] - [ 0.0001053900000000, -0.0002042100000000, 0.0000771000000000 ] - [ -0.0006544800000000, -0.0001412400000000, -0.0001658200000000 ] - [ 0.0000936900000000, 0.0000902500000000, -0.0000381200000000 ] - [ -0.0003142700000000, -0.0005941900000000, 0.0005754200000000 ] - [ -0.0000386300000000, -0.0006360800000000, 0.0008714400000000 ] - [ -0.0006283300000000, 0.0000052800000000, -0.0006304500000000 ] - [ -0.0001135000000000, 0.0008071400000000, 0.0007014800000000 ] - [ 0.0000523000000000, 0.0001012000000000, 0.0004599100000000 ] - [ 0.0000489600000000, -0.0000870300000000, -0.0001309400000000 ] - [ -0.0008988400000000, 0.0005160500000000, -0.0008162500000000 ] - [ -0.0026294100000000, -0.0006696300000000, 0.0013311200000000 ] - [ -0.0005032600000000, 0.0007040900000000, 0.0006837000000000 ] - [ -0.0037607800000000, 0.2226798800000000, 0.3368840000000000 ] - [ 0.0001262800000000, -0.0004945000000000, -0.0011946600000000 ] - [ 0.0005688400000000, 0.0008805400000000, -0.0018267500000000 ] - [ 0.0011898300000000, 0.0016631400000000, -0.0001225400000000 ] - [ 0.0041844500000000, 0.0099627200000000, -0.0005907000000000 ] - [ 0.0011729000000000, -0.0006616900000000, -0.0017513700000000 ] - [ -0.0000945400000000, -0.0004020000000000, 0.0003009900000000 ] - [ -0.0000834800000000, -0.0004370100000000, -0.0002922900000000 ] - [ 0.0004256000000000, -0.0001294200000000, -0.0004187900000000 ] - [ -0.0000455800000000, -0.0008004600000000, -0.0006462200000000 ] - [ -0.0000866800000000, 0.0004755800000000, -0.0001090600000000 ] - [ -0.0002212700000000, 0.0001249300000000, -0.0006956100000000 ] - [ 0.0000773500000000, 0.0001973900000000, -0.0011357100000000 ] - [ 0.0002527600000000, -0.0000207500000000, -0.0032964400000000 ] - [ -0.0002501200000000, 0.0000005600000000, 0.0002082000000000 ] - [ -0.0000181300000000, -0.0000820000000000, -0.0003961700000000 ] - [ -0.0000776000000000, -0.0000880100000000, -0.0009752900000000 ] - [ 0.0006178300000000, 0.0006566500000000, -0.0002358500000000 ] - [ -0.0006747400000000, 0.0001695600000000, -0.0007308500000000 ] - [ -0.0000700500000000, -0.0004138700000000, 0.0007278000000000 ] - [ -0.0005144500000000, -0.0017920400000000, 0.0011117800000000 ] - [ 0.0000085500000000, -0.0000107900000000, 0.0010987500000000 ] - [ 0.0007366800000000, -0.0004510800000000, -0.0008592900000000 ] - [ -0.0004775000000000, -0.0011411900000000, -0.0018772300000000 ] - [ 0.0002468300000000, 0.0001678800000000, 0.0017563800000000 ] - [ 0.0004666400000000, -0.0002913800000000, -0.0014847200000000 ] - [ 0.0003567200000000, 0.0002950000000000, 0.0005165800000000 ] - [ 0.0123924000000000, 0.0031324600000000, -0.0038614400000000 ] - [ -0.0127622200000000, 0.0039285800000000, -0.0040254900000000 ] - [ 0.0000283800000000, -0.0000338900000000, -0.0011342800000000 ] - [ -0.0004779400000000, -0.0006704400000000, 0.0000908200000000 ] - [ 0.0000436400000000, 0.0003326500000000, -0.0001436300000000 ] - [ -0.0106779200000000, -0.0036567200000000, -0.0022740600000000 ] - [ -0.0000581600000000, 0.0005254200000000, -0.0007059700000000 ] - [ 0.0000075500000000, 0.0005811500000000, -0.0032010100000000 ] - [ -0.0007088700000000, 0.0016621500000000, 0.0002966100000000 ] - [ 0.0006236000000000, 0.0008619400000000, -0.0010359200000000 ] - [ -0.0005994600000000, 0.0003410800000000, -0.0012743600000000 ] - [ -0.0000572200000000, 0.0001951000000000, -0.0017915500000000 ] - [ -0.0037658200000000, 0.0076848700000000, 0.0000865600000000 ] - [ -0.0002283800000000, -0.0011063000000000, -0.0021328700000000 ] - [ 0.0004423000000000, -0.0006127500000000, -0.0007227800000000 ] - [ -0.0002711800000000, -0.0009851600000000, -0.0001759400000000 ] - [ -0.0000085000000000, 0.0000587300000000, -0.0001633400000000 ] - [ 0.0039500000000000, -0.0094618000000000, -0.0042892700000000 ] - [ 0.0000200200000000, -0.0002064400000000, -0.0006874100000000 ] - [ 0.0007709500000000, -0.0002327400000000, -0.0012959700000000 ] - [ -0.0000589000000000, -0.0000047700000000, -0.0008730100000000 ] - [ 0.0010416200000000, -0.0006065200000000, -0.0003050500000000 ] - [ -0.0004736000000000, 0.0000662500000000, -0.0008640600000000 ] - [ -0.0002139800000000, -0.0003139400000000, -0.0010057800000000 ] - [ -0.0007025300000000, -0.0002990100000000, -0.0015309300000000 ] - [ -0.0025194200000000, 0.0007776600000000, 0.0012357700000000 ] - [ 0.0002883300000000, 0.0001299500000000, -0.0006550200000000 ] - [ -0.0008200800000000, 0.0013430400000000, -0.0010003800000000 ] - [ 0.0003519500000000, -0.0001078600000000, 0.0022054500000000 ] - [ 0.0028142700000000, -0.0005526800000000, 0.0008596400000000 ] - [ 0.0020140100000000, 0.0001898500000000, 0.0009864400000000 ] - [ 0.0003751100000000, -0.0001681700000000, -0.0003713700000000 ] - [ -0.0010678500000000, -0.0003963500000000, -0.0014738000000000 ] - [ 0.0001777500000000, 0.0002992500000000, -0.0000835700000000 ] - [ -0.0006814000000000, 0.0005266100000000, -0.0010991100000000 ] - [ 0.0004099900000000, -0.0001467900000000, -0.0004385500000000 ] - [ 0.0111059100000000, -0.0032734500000000, -0.0021636000000000 ] - [ -0.0038437800000000, -0.0070978200000000, -0.0030186800000000 ] - [ 0.0000267700000000, 0.0001203500000000, 0.0001266300000000 ] - [ 0.0000773700000000, 0.0003496000000000, -0.0014930200000000 ] - [ -0.0006748600000000, 0.0003135200000000, 0.0003202200000000 ] - [ 0.0002191700000000, -0.0003933500000000, -0.0005827000000000 ]- atom: 69 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0012935300000000, -0.0001107900000000, 0.0008554900000000 ] - [ -0.0010957900000000, -0.0014782000000000, 0.0026828200000000 ] - [ 0.0008487600000000, -0.0000272100000000, -0.0006767200000000 ] - [ -0.0003094800000000, 0.0001298600000000, 0.0002272600000000 ] - [ -0.0011140400000000, 0.0016188500000000, -0.0029168200000000 ] - [ -0.0013770900000000, -0.0000239700000000, -0.0000882800000000 ] - [ -0.0004588300000000, -0.0001249800000000, -0.0006492900000000 ] - [ -0.0016292200000000, 0.0003409300000000, -0.0005868300000000 ] - [ 0.0011612200000000, 0.0002193900000000, 0.0001683500000000 ] - [ -0.0014722700000000, 0.0000930300000000, -0.0001319600000000 ] - [ -0.0006041300000000, -0.0001038200000000, -0.0006053800000000 ] - [ -0.0006184400000000, -0.0000872000000000, 0.0001178400000000 ] - [ 0.0047126800000000, -0.0003502100000000, 0.0026460000000000 ] - [ -0.0000965000000000, -0.0000115100000000, -0.0006773600000000 ] - [ 0.0002140500000000, 0.0001523700000000, 0.0003730600000000 ] - [ 0.0040850500000000, 0.0022424400000000, -0.0009805500000000 ] - [ -0.0086828700000000, 0.0023051400000000, 0.0025163900000000 ] - [ -0.0003737000000000, -0.0000473400000000, 0.0001884300000000 ] - [ 0.0009481200000000, -0.0000355200000000, -0.0001679300000000 ] - [ -0.0005880900000000, 0.0000616800000000, -0.0002686100000000 ] - [ -0.0002842700000000, 0.0000708800000000, -0.0003668300000000 ] - [ -0.0012238200000000, -0.0001841700000000, 0.0008592900000000 ] - [ -0.0011228800000000, -0.0000040000000000, -0.0006929300000000 ] - [ 0.0037596200000000, -0.0019695600000000, -0.0002054200000000 ] - [ -0.0081588400000000, -0.0020416500000000, -0.0006753600000000 ] - [ 0.0001308300000000, 0.0000809500000000, -0.0017184500000000 ] - [ 0.0023790600000000, -0.0011031900000000, 0.0005162800000000 ] - [ -0.0016493800000000, 0.0005743500000000, -0.0014015200000000 ] - [ -0.0027467700000000, 0.0087164400000000, 0.0127741100000000 ] - [ 0.0193818000000000, -0.0007585300000000, 0.0006934700000000 ] - [ -0.0052401200000000, -0.0002358700000000, -0.0001318300000000 ] - [ -0.0007101800000000, -0.0006962600000000, 0.0006661800000000 ] - [ -0.0040381800000000, -0.0000734900000000, -0.0008080200000000 ] - [ 0.0088487900000000, 0.0011172300000000, 0.0017496600000000 ] - [ 0.0014077700000000, 0.0004369100000000, -0.0004639200000000 ] - [ -0.0021650600000000, 0.0007025500000000, 0.0006882800000000 ] - [ -0.0053670300000000, 0.0003283500000000, 0.0007670200000000 ] - [ -0.0009234700000000, 0.0001721400000000, -0.0007892800000000 ] - [ 0.0019035700000000, 0.0010079700000000, 0.0077767700000000 ] - [ -0.0019814300000000, 0.0004778100000000, 0.0014885300000000 ] - [ 0.2327222300000000, 0.1027244100000000, 0.0634889100000000 ] - [ -0.0044761800000000, 0.0017168800000000, 0.0053577700000000 ] - [ 0.0000177600000000, -0.0001363900000000, -0.0024638700000000 ] - [ -0.0022518800000000, -0.0005095300000000, -0.0029616800000000 ] - [ 0.0007698800000000, -0.0008343000000000, -0.0015069200000000 ] - [ 0.0027092000000000, -0.0034686000000000, -0.0019316200000000 ] - [ -0.0010902200000000, 0.0000020900000000, -0.0001147100000000 ] - [ -0.0054377400000000, -0.0005948900000000, -0.0013452900000000 ] - [ 0.0002894700000000, -0.0010808500000000, 0.0018928500000000 ] - [ 0.0002322500000000, -0.0009516600000000, -0.0011771100000000 ] - [ 0.0007236000000000, 0.0009831600000000, -0.0011108200000000 ] - [ 0.0002952800000000, 0.0001949500000000, 0.0004976900000000 ] - [ -0.0000611100000000, 0.0000474400000000, -0.0002992000000000 ] - [ -0.0009012000000000, 0.0000674500000000, -0.0002106200000000 ] - [ 0.0014734500000000, -0.0084019300000000, -0.0072243200000000 ] - [ -0.0007667800000000, 0.0000813600000000, -0.0009340400000000 ] - [ 0.0003969800000000, 0.0000982600000000, -0.0003806200000000 ] - [ 0.0000664600000000, 0.0003328500000000, 0.0002287300000000 ] - [ -0.0001727400000000, 0.0001141300000000, -0.0003523100000000 ] - [ 0.0001146000000000, -0.0001947500000000, 0.0003334400000000 ] - [ -0.0002487000000000, -0.0000978400000000, -0.0002609500000000 ] - [ -0.0005544300000000, 0.0005557000000000, 0.0004471100000000 ] - [ 0.0006761500000000, -0.0003831600000000, 0.0008707700000000 ] - [ -0.0027769900000000, -0.0005635100000000, 0.0001772800000000 ] - [ -0.0036491600000000, 0.0010977600000000, -0.0044983600000000 ] - [ -0.0005705500000000, -0.0003406800000000, 0.0007387400000000 ] - [ 0.0001363000000000, 0.0010687400000000, 0.0012719900000000 ] - [ -0.0006157600000000, 0.0001596400000000, -0.0003746500000000 ] - [ -0.3089160400000000, -0.1552213600000000, -0.1009352500000000 ] - [ 0.0022145900000000, 0.0174547900000000, -0.0017933100000000 ] - [ 0.0004549200000000, 0.0003520000000000, 0.0004043900000000 ] - [ -0.0030061100000000, 0.0006539300000000, -0.0016544500000000 ] - [ 0.0010666100000000, 0.0011221000000000, 0.0015585300000000 ] - [ 0.0001134200000000, -0.0005995300000000, 0.0000628900000000 ] - [ 0.0014255100000000, -0.0005661100000000, 0.0018964200000000 ] - [ 0.0424773300000000, 0.0033156000000000, 0.0005983600000000 ] - [ 0.0016875000000000, -0.0009039600000000, -0.0002541500000000 ] - [ 0.0018788400000000, 0.0010647200000000, 0.0006896800000000 ] - [ 0.0026200400000000, 0.0007584200000000, -0.0010198800000000 ] - [ 0.0036401300000000, -0.0010959100000000, 0.0013890000000000 ] - [ 0.0000519400000000, -0.0006567300000000, 0.0017131700000000 ] - [ 0.0004013100000000, -0.0001880100000000, -0.0002422800000000 ] - [ 0.0024582200000000, 0.0001127300000000, 0.0003198000000000 ] - [ -0.0016291100000000, -0.0009430300000000, -0.0010306000000000 ] - [ 0.0017822400000000, 0.0006020100000000, 0.0005969300000000 ] - [ -0.0020696400000000, 0.0000248600000000, 0.0003193000000000 ] - [ 0.0016379500000000, -0.0011015100000000, 0.0012378700000000 ] - [ 0.0012182100000000, -0.0007593400000000, 0.0002263800000000 ] - [ 0.0005996000000000, -0.0001072900000000, 0.0006274300000000 ] - [ -0.0019504000000000, -0.0001107900000000, 0.0016213000000000 ] - [ 0.0026014500000000, -0.0040739200000000, -0.0011792300000000 ] - [ -0.0010507200000000, 0.0000920700000000, 0.0003167200000000 ] - [ 0.0008447400000000, -0.0006755300000000, 0.0003022900000000 ] - [ 0.0005558100000000, 0.0002794800000000, 0.0004405700000000 ] - [ 0.0001048900000000, -0.0001756300000000, 0.0000473000000000 ] - [ -0.0009733600000000, 0.0006621700000000, -0.0000962900000000 ] - [ 0.0178631500000000, 0.0051016700000000, 0.0124494600000000 ] - [ 0.0003455100000000, -0.0004152500000000, -0.0003998700000000 ] - [ 0.0015154500000000, 0.0005408200000000, -0.0000325400000000 ] - [ 0.0009710000000000, 0.0002093800000000, -0.0004890700000000 ] - [ 0.0002736200000000, 0.0004871400000000, -0.0011659200000000 ] - [ 0.0001396300000000, 0.0009169100000000, -0.0033496400000000 ] - [ -0.0007681200000000, 0.0006646100000000, -0.0001055600000000 ] - [ 0.0016065200000000, 0.0183521500000000, 0.0013682700000000 ] - [ 0.0024839700000000, -0.0006594600000000, -0.0001207600000000 ] - [ -0.0002399900000000, 0.0003739700000000, 0.0012576400000000 ] - [ 0.0014785000000000, 0.0007184400000000, -0.0024091600000000 ] - [ -0.0003381300000000, -0.0000396000000000, 0.0018612500000000 ] - [ 0.0014702700000000, 0.0114223200000000, 0.0189057000000000 ] - [ -0.0006656200000000, -0.0006773800000000, -0.0023368900000000 ] - [ 0.0050134500000000, -0.0007293700000000, -0.0022789500000000 ] - [ 0.0000277000000000, 0.0002382600000000, 0.0003968700000000 ] - [ 0.0008227900000000, -0.0007557600000000, -0.0016162400000000 ] - [ 0.0004502500000000, -0.0002804900000000, 0.0002195900000000 ] - [ -0.0044871500000000, -0.0026878200000000, -0.0040987500000000 ] - [ -0.0005436700000000, 0.0056082200000000, 0.0044235400000000 ] - [ 0.0040720500000000, -0.0006499400000000, -0.0013467400000000 ] - [ 0.0036189900000000, 0.0007115300000000, 0.0004543100000000 ] - [ 0.0010148200000000, 0.0002841200000000, -0.0009590900000000 ] - [ 0.0013599400000000, -0.0000335800000000, 0.0001233400000000 ] - [ -0.0082103100000000, -0.0018569500000000, 0.0043714900000000 ] - [ -0.0004822500000000, 0.0007358000000000, 0.0003798600000000 ] - [ 0.0009667800000000, 0.0000369700000000, 0.0002078700000000 ] - [ 0.0012204100000000, -0.0002237300000000, 0.0001640500000000 ] - [ -0.0002571700000000, 0.0005805300000000, 0.0010045600000000 ] - [ 0.0026209900000000, 0.0002211300000000, -0.0003291800000000 ] - [ -0.0016557500000000, 0.0011988400000000, 0.0020739500000000 ] - [ 0.0005159400000000, 0.0003327600000000, -0.0004778400000000 ] - [ 0.0013703100000000, 0.0003516100000000, -0.0008250400000000 ] - [ 0.0032138000000000, -0.0021824600000000, 0.0001721400000000 ] - [ -0.0023767500000000, 0.0015618100000000, 0.0014502600000000 ] - [ -0.0009497100000000, -0.0000440900000000, 0.0001116900000000 ] - [ 0.0006450400000000, 0.0000307900000000, 0.0009819600000000 ] - [ 0.0027249800000000, -0.0008929500000000, -0.0079137900000000 ] - [ 0.0000126300000000, -0.0006424400000000, 0.0000131200000000 ] - [ 0.0014101400000000, -0.0002932700000000, 0.0007911000000000 ]- atom: 69 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0012920800000000, 0.0003789500000000, -0.0008557500000000 ] - [ 0.0011060500000000, 0.0014608900000000, -0.0026675000000000 ] - [ -0.0008545800000000, 0.0000217200000000, 0.0005401100000000 ] - [ 0.0003079000000000, -0.0001297900000000, -0.0002289200000000 ] - [ 0.0011186100000000, -0.0018715900000000, 0.0028947700000000 ] - [ 0.0013736500000000, 0.0000256200000000, 0.0002119500000000 ] - [ 0.0004554100000000, -0.0001397100000000, 0.0006495100000000 ] - [ 0.0016260000000000, -0.0003437400000000, 0.0005892400000000 ] - [ -0.0011603300000000, -0.0002196500000000, 0.0006804800000000 ] - [ 0.0014682700000000, -0.0000939000000000, -0.0007165200000000 ] - [ 0.0006031000000000, 0.0001036100000000, -0.0002485600000000 ] - [ 0.0006194400000000, 0.0000877900000000, 0.0000094800000000 ] - [ -0.0047219400000000, 0.0003433700000000, -0.0027357100000000 ] - [ 0.0000984000000000, 0.0000109400000000, 0.0006737100000000 ] - [ -0.0002079100000000, 0.0001116900000000, -0.0003746600000000 ] - [ -0.0041006800000000, -0.0022203900000000, 0.0018249400000000 ] - [ 0.0074244400000000, -0.0023627000000000, -0.0023706800000000 ] - [ 0.0014136500000000, -0.0000715300000000, -0.0002951900000000 ] - [ 0.0000939700000000, -0.0000812800000000, 0.0002657500000000 ] - [ 0.0016266200000000, 0.0000560200000000, 0.0001642800000000 ] - [ -0.0007588400000000, 0.0000480400000000, 0.0004688400000000 ] - [ 0.0001860700000000, 0.0000644500000000, -0.0009565000000000 ] - [ 0.0000817900000000, 0.0001213800000000, 0.0005834700000000 ] - [ -0.0026987600000000, 0.0020716800000000, 0.0003232200000000 ] - [ 0.0081454700000000, 0.0020512000000000, 0.0006783300000000 ] - [ -0.0001254800000000, -0.0000771900000000, 0.0017080500000000 ] - [ -0.0023790800000000, 0.0011051900000000, 0.0011877700000000 ] - [ 0.0016483900000000, -0.0005730000000000, -0.0003160400000000 ] - [ 0.0027958200000000, -0.0086193700000000, -0.0126525800000000 ] - [ -0.0194433200000000, 0.0006045900000000, 0.0008843900000000 ] - [ 0.0052214900000000, 0.0002433100000000, -0.0015711200000000 ] - [ 0.0007061000000000, 0.0006961900000000, -0.0006715900000000 ] - [ 0.0041056200000000, -0.0012033400000000, 0.0008926300000000 ] - [ -0.0079488500000000, -0.0012296500000000, -0.0012681500000000 ] - [ -0.0013283400000000, 0.0008384300000000, 0.0003672100000000 ] - [ 0.0022348900000000, 0.0005710700000000, -0.0006121500000000 ] - [ 0.0061250000000000, -0.0004806400000000, -0.0012820700000000 ] - [ 0.0016847600000000, -0.0000234300000000, 0.0002759400000000 ] - [ -0.0026752200000000, -0.0011596600000000, -0.0072716700000000 ] - [ 0.0019190700000000, 0.0007920100000000, -0.0014027800000000 ] - [ -0.2220567900000000, -0.0962278500000000, -0.0585534700000000 ] - [ 0.0043472200000000, -0.0004733100000000, -0.0054127000000000 ] - [ -0.0008107900000000, 0.0002838900000000, 0.0029694100000000 ] - [ 0.0021755400000000, -0.0007636000000000, 0.0030204800000000 ] - [ -0.0008504200000000, -0.0004402000000000, 0.0014157600000000 ] - [ -0.0019377700000000, 0.0036064100000000, 0.0024537400000000 ] - [ 0.0003313200000000, -0.0001507200000000, -0.0004001400000000 ] - [ 0.0046657300000000, 0.0007406200000000, 0.0008314000000000 ] - [ -0.0000892300000000, 0.0013459000000000, -0.0018053600000000 ] - [ -0.0000348700000000, 0.0006783600000000, 0.0012560500000000 ] - [ -0.0006470300000000, -0.0011456500000000, 0.0015846100000000 ] - [ -0.0002107700000000, -0.0000244300000000, -0.0000186300000000 ] - [ 0.0001468000000000, 0.0001229500000000, -0.0001808500000000 ] - [ 0.0008139500000000, 0.0001029500000000, -0.0002682400000000 ] - [ -0.0016749100000000, 0.0080896500000000, 0.0072897600000000 ] - [ 0.0009623600000000, -0.0003559900000000, 0.0008469900000000 ] - [ -0.0004811300000000, -0.0002683400000000, 0.0008572000000000 ] - [ 0.0001339900000000, -0.0000606000000000, -0.0003102900000000 ] - [ -0.0000276700000000, -0.0003870100000000, 0.0002714000000000 ] - [ -0.0003152500000000, 0.0004751900000000, -0.0002619600000000 ] - [ 0.0001631800000000, -0.0000727700000000, -0.0002190200000000 ] - [ 0.0003534500000000, -0.0002849800000000, -0.0005302200000000 ] - [ -0.0007794400000000, 0.0005518700000000, -0.0003958500000000 ] - [ 0.0028336600000000, 0.0003887500000000, -0.0006479900000000 ] - [ 0.0027458900000000, -0.0006128600000000, 0.0043626600000000 ] - [ 0.0005721000000000, 0.0000844200000000, -0.0001948200000000 ] - [ -0.0010974300000000, 0.0004308600000000, -0.0004728400000000 ] - [ 0.0006350600000000, -0.0002273700000000, -0.0000976300000000 ] - [ 0.2976823100000000, 0.1463698000000000, 0.0950288800000000 ] - [ -0.0020647300000000, -0.0166631600000000, 0.0011818800000000 ] - [ -0.0002809900000000, 0.0006146100000000, -0.0001125600000000 ] - [ 0.0024459400000000, -0.0007197800000000, 0.0021146800000000 ] - [ -0.0001969100000000, -0.0016087000000000, -0.0016657300000000 ] - [ -0.0002882200000000, -0.0003669900000000, 0.0002303600000000 ] - [ -0.0015680200000000, -0.0003949900000000, -0.0025979400000000 ] - [ -0.0412675600000000, -0.0030294800000000, -0.0000459600000000 ] - [ -0.0015122800000000, -0.0000594900000000, 0.0005469900000000 ] - [ -0.0020477600000000, -0.0000917000000000, -0.0003950300000000 ] - [ -0.0031779500000000, -0.0006937200000000, 0.0005616900000000 ] - [ -0.0036314300000000, 0.0013496100000000, -0.0019304100000000 ] - [ 0.0003427800000000, -0.0000097400000000, -0.0013505300000000 ] - [ -0.0009671200000000, 0.0001247000000000, -0.0002110500000000 ] - [ -0.0024696900000000, -0.0001817300000000, 0.0001526700000000 ] - [ 0.0017860200000000, -0.0000371300000000, 0.0007450700000000 ] - [ -0.0008195100000000, 0.0008977900000000, 0.0001942800000000 ] - [ 0.0016532800000000, 0.0006415400000000, 0.0000630000000000 ] - [ -0.0016066300000000, 0.0002797700000000, -0.0006287600000000 ] - [ -0.0002567500000000, -0.0007381500000000, 0.0005685600000000 ] - [ -0.0005845800000000, 0.0000391000000000, -0.0001503600000000 ] - [ 0.0015510200000000, -0.0005494500000000, -0.0012763200000000 ] - [ -0.0035660700000000, 0.0026184000000000, 0.0003838700000000 ] - [ 0.0010312200000000, -0.0000251000000000, -0.0007874900000000 ] - [ -0.0006953900000000, -0.0002867400000000, -0.0010237400000000 ] - [ 0.0002981000000000, 0.0002000300000000, -0.0003352100000000 ] - [ -0.0009610200000000, -0.0003037300000000, 0.0000553300000000 ] - [ 0.0009457400000000, 0.0001558500000000, -0.0005015400000000 ] - [ -0.0180707500000000, -0.0051039200000000, -0.0131158500000000 ] - [ -0.0013092100000000, -0.0010789100000000, 0.0011879600000000 ] - [ -0.0014910500000000, 0.0002749100000000, 0.0006299200000000 ] - [ -0.0009611400000000, -0.0004620100000000, -0.0000471900000000 ] - [ -0.0004241600000000, 0.0004773900000000, 0.0004458000000000 ] - [ -0.0002793000000000, 0.0000556900000000, 0.0040570900000000 ] - [ -0.0001904900000000, 0.0008322900000000, -0.0006843600000000 ] - [ -0.0007306800000000, -0.0166854400000000, -0.0021720900000000 ] - [ -0.0024716400000000, 0.0004051200000000, 0.0006579300000000 ] - [ 0.0000753800000000, 0.0005937800000000, -0.0015482500000000 ] - [ -0.0006214200000000, -0.0002387400000000, 0.0023142300000000 ] - [ 0.0001953100000000, -0.0009232400000000, -0.0011347900000000 ] - [ -0.0013349500000000, -0.0122597000000000, -0.0179377100000000 ] - [ 0.0004939200000000, -0.0002807300000000, 0.0020448400000000 ] - [ -0.0049585100000000, 0.0007850700000000, 0.0027218900000000 ] - [ -0.0000294500000000, 0.0000180000000000, 0.0001454500000000 ] - [ -0.0008465400000000, 0.0005031000000000, 0.0010763200000000 ] - [ -0.0008365800000000, -0.0003856500000000, -0.0005768800000000 ] - [ 0.0044151600000000, 0.0026592800000000, 0.0036531100000000 ] - [ 0.0007171400000000, -0.0046183800000000, -0.0046972400000000 ] - [ -0.0049296400000000, 0.0011277900000000, 0.0014459600000000 ] - [ -0.0030493500000000, -0.0007740900000000, -0.0009085300000000 ] - [ -0.0008653500000000, 0.0006800600000000, 0.0002430400000000 ] - [ -0.0013865900000000, 0.0008534700000000, 0.0004824100000000 ] - [ 0.0087258100000000, 0.0017605800000000, -0.0037302800000000 ] - [ 0.0006285200000000, 0.0002243300000000, 0.0003516300000000 ] - [ -0.0009822300000000, 0.0000307200000000, 0.0002684800000000 ] - [ -0.0006551100000000, 0.0002879300000000, -0.0006181200000000 ] - [ -0.0006043100000000, -0.0010591200000000, -0.0011071500000000 ] - [ -0.0026430200000000, -0.0010378200000000, 0.0009268800000000 ] - [ 0.0011143600000000, -0.0011234500000000, -0.0016071400000000 ] - [ -0.0001313200000000, 0.0003331200000000, 0.0001202000000000 ] - [ -0.0017568200000000, 0.0003150400000000, 0.0004697300000000 ] - [ -0.0023606500000000, 0.0016802300000000, -0.0000779000000000 ] - [ 0.0029359600000000, -0.0014940100000000, -0.0009948400000000 ] - [ 0.0009787100000000, -0.0007750800000000, -0.0007104600000000 ] - [ -0.0006549100000000, 0.0002207300000000, -0.0015120500000000 ] - [ -0.0023501200000000, 0.0015649900000000, 0.0083026500000000 ] - [ 0.0009465500000000, -0.0008546800000000, -0.0008004200000000 ] - [ -0.0010208100000000, -0.0003738100000000, -0.0011442800000000 ]- atom: 69 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0004071900000000, 0.0002905300000000, 0.0004429200000000 ] - [ -0.0019388800000000, -0.0001554700000000, 0.0022430100000000 ] - [ 0.0002021400000000, 0.0000670800000000, -0.0005739700000000 ] - [ -0.0000446900000000, 0.0000010300000000, -0.0000315100000000 ] - [ -0.0004560700000000, 0.0008575400000000, 0.0001382300000000 ] - [ -0.0004234500000000, 0.0000049900000000, 0.0001139600000000 ] - [ -0.0001730500000000, -0.0000933400000000, -0.0002838600000000 ] - [ -0.0002679300000000, 0.0000060000000000, 0.0000278500000000 ] - [ 0.0004530900000000, 0.0000018100000000, 0.0000768300000000 ] - [ -0.0004352000000000, 0.0000581600000000, -0.0002206600000000 ] - [ -0.0002027700000000, -0.0000401900000000, -0.0005655700000000 ] - [ -0.0001524300000000, -0.0000090500000000, -0.0000158100000000 ] - [ 0.0009465400000000, 0.0020794400000000, 0.0021054600000000 ] - [ -0.0001332500000000, -0.0000339900000000, -0.0004503300000000 ] - [ 0.0001466200000000, 0.0001583100000000, -0.0001875000000000 ] - [ 0.0027026000000000, -0.0025965600000000, 0.0040270500000000 ] - [ 0.0007420400000000, 0.0033801600000000, 0.0008067400000000 ] - [ 0.0003062500000000, -0.0000632400000000, 0.0000300700000000 ] - [ 0.0006398700000000, -0.0000531700000000, -0.0002526700000000 ] - [ 0.0001870500000000, 0.0000332400000000, -0.0001570800000000 ] - [ -0.0004356300000000, 0.0000488100000000, -0.0002435700000000 ] - [ -0.0006222300000000, 0.0000176700000000, 0.0000681600000000 ] - [ -0.0007990100000000, 0.0000049400000000, -0.0002501500000000 ] - [ 0.0035915900000000, -0.0079755400000000, 0.0002779200000000 ] - [ -0.0027295900000000, -0.0001833400000000, -0.0002443900000000 ] - [ -0.0001430100000000, 0.0001615400000000, -0.0010610200000000 ] - [ 0.0008409700000000, -0.0000939500000000, 0.0002321400000000 ] - [ -0.0005556600000000, 0.0002234700000000, -0.0012260500000000 ] - [ 0.0036073800000000, 0.0016015800000000, 0.0022864400000000 ] - [ 0.0014264100000000, 0.0231959000000000, 0.0147385000000000 ] - [ -0.0010994100000000, -0.0002156000000000, -0.0003541100000000 ] - [ -0.0000723000000000, -0.0000199500000000, -0.0000951400000000 ] - [ -0.0011015200000000, -0.0003362200000000, -0.0003454300000000 ] - [ 0.0030145400000000, 0.0019941000000000, 0.0004725000000000 ] - [ 0.0004514700000000, 0.0005503700000000, -0.0008392100000000 ] - [ -0.0006199300000000, 0.0006294300000000, 0.0003682800000000 ] - [ -0.0010372600000000, 0.0001007900000000, 0.0003118400000000 ] - [ -0.0000069400000000, 0.0001069100000000, -0.0006656500000000 ] - [ 0.0008001600000000, -0.0003075900000000, 0.0010111600000000 ] - [ 0.0000142600000000, -0.0001621900000000, 0.0001802500000000 ] - [ 0.1005029300000000, 0.1165657000000000, 0.0423352700000000 ] - [ -0.0102767700000000, -0.0076492300000000, 0.0044131900000000 ] - [ -0.0016625300000000, -0.0011104100000000, -0.0012752300000000 ] - [ -0.0013804500000000, -0.0007154600000000, -0.0007415900000000 ] - [ 0.0002453500000000, -0.0007294900000000, -0.0009154200000000 ] - [ 0.0010342200000000, -0.0026248100000000, 0.0000362900000000 ] - [ -0.0006553200000000, -0.0000978800000000, -0.0006354300000000 ] - [ -0.0025332500000000, -0.0009194700000000, -0.0002494300000000 ] - [ 0.0003994900000000, -0.0012029300000000, 0.0012131000000000 ] - [ 0.0001459500000000, -0.0004297900000000, -0.0004317000000000 ] - [ 0.0008059300000000, 0.0005386300000000, 0.0003018800000000 ] - [ 0.0001473900000000, 0.0001017800000000, 0.0003312200000000 ] - [ 0.0000109800000000, 0.0000744300000000, -0.0003062500000000 ] - [ -0.0003797500000000, 0.0000463400000000, -0.0002164700000000 ] - [ 0.0009212000000000, -0.0053653000000000, -0.0040340500000000 ] - [ -0.0002446000000000, 0.0000562100000000, -0.0001892800000000 ] - [ 0.0000965400000000, 0.0000051100000000, -0.0002849400000000 ] - [ 0.0000683000000000, 0.0000113800000000, -0.0001646800000000 ] - [ -0.0001159800000000, 0.0000136100000000, -0.0002318100000000 ] - [ -0.0000214100000000, -0.0002964800000000, 0.0000687600000000 ] - [ -0.0000965000000000, -0.0000964800000000, -0.0002800500000000 ] - [ -0.0002499700000000, 0.0002644900000000, 0.0001611600000000 ] - [ -0.0019712200000000, -0.0003945800000000, 0.0003222000000000 ] - [ -0.0001280800000000, -0.0000226200000000, -0.0001553300000000 ] - [ -0.0013274000000000, -0.0006465400000000, -0.0005442600000000 ] - [ -0.0002141200000000, -0.0002663700000000, 0.0006696600000000 ] - [ -0.0001317800000000, 0.0008749200000000, 0.0006850800000000 ] - [ -0.0002549000000000, -0.0000436300000000, -0.0001522300000000 ] - [ -0.1524892500000000, -0.1893361800000000, -0.0897537900000000 ] - [ 0.0169326400000000, 0.0301595200000000, -0.0032290100000000 ] - [ 0.0001895700000000, 0.0004269400000000, 0.0003303300000000 ] - [ -0.0012419000000000, 0.0000555500000000, 0.0000865000000000 ] - [ 0.0009798800000000, 0.0001901800000000, 0.0004495300000000 ] - [ -0.0000037200000000, -0.0004343000000000, 0.0003264900000000 ] - [ 0.0005361600000000, -0.0005943700000000, 0.0000399500000000 ] - [ -0.0056979900000000, -0.0116404900000000, -0.0008005000000000 ] - [ 0.0005098100000000, -0.0006103200000000, -0.0000677600000000 ] - [ 0.0009739300000000, 0.0007666300000000, 0.0001523800000000 ] - [ 0.0007299100000000, 0.0004886900000000, -0.0007564100000000 ] - [ 0.0011751200000000, -0.0003086700000000, 0.0002580300000000 ] - [ 0.0004356200000000, -0.0003270700000000, 0.0011211400000000 ] - [ -0.0001215000000000, -0.0000298700000000, -0.0000617600000000 ] - [ 0.0008465700000000, -0.0000523400000000, 0.0002329100000000 ] - [ -0.0003945700000000, -0.0008633200000000, -0.0012205000000000 ] - [ 0.0008406900000000, 0.0006790600000000, 0.0004405200000000 ] - [ -0.0007463900000000, 0.0001958800000000, 0.0005762400000000 ] - [ 0.0006980700000000, -0.0006608400000000, 0.0006212600000000 ] - [ 0.0006825100000000, -0.0007051800000000, 0.0003353100000000 ] - [ 0.0002553700000000, -0.0000761000000000, 0.0004782200000000 ] - [ -0.0013513800000000, 0.0014603500000000, -0.0005409900000000 ] - [ -0.0008515700000000, 0.0073321600000000, -0.0002688400000000 ] - [ -0.0002981200000000, -0.0000136400000000, 0.0002305700000000 ] - [ 0.0002888700000000, -0.0006002100000000, -0.0000079800000000 ] - [ 0.0005866300000000, 0.0003170400000000, 0.0004412600000000 ] - [ -0.0003153200000000, -0.0002619600000000, 0.0001883900000000 ] - [ -0.0002630200000000, 0.0004094900000000, 0.0000146800000000 ] - [ 0.0054068000000000, -0.0016931000000000, 0.0032775100000000 ] - [ -0.0002258100000000, -0.0004288100000000, 0.0000214800000000 ] - [ 0.0001437100000000, 0.0005619900000000, 0.0002204700000000 ] - [ 0.0002523500000000, -0.0000743900000000, -0.0003604500000000 ] - [ -0.0000725900000000, 0.0006850000000000, -0.0002389400000000 ] - [ 0.0009809800000000, 0.0023047600000000, -0.0023948500000000 ] - [ -0.0005895200000000, 0.0007078100000000, -0.0001367100000000 ] - [ 0.0309632600000000, 0.0322976700000000, 0.0014178000000000 ] - [ 0.0024425200000000, 0.0008277400000000, 0.0000366300000000 ] - [ -0.0000939300000000, 0.0010639800000000, 0.0001562300000000 ] - [ 0.0003545300000000, 0.0003530300000000, -0.0002319700000000 ] - [ -0.0001261700000000, -0.0003396000000000, 0.0010989900000000 ] - [ 0.0105241400000000, -0.0022662100000000, 0.0144132300000000 ] - [ -0.0004637300000000, 0.0001424600000000, -0.0009572500000000 ] - [ 0.0003672200000000, 0.0001527600000000, -0.0001216000000000 ] - [ 0.0000344900000000, 0.0001891500000000, 0.0005009100000000 ] - [ -0.0009453400000000, 0.0002331900000000, -0.0001845500000000 ] - [ 0.0000042700000000, -0.0002923300000000, 0.0001027100000000 ] - [ -0.0055007700000000, 0.0081450500000000, 0.0064294000000000 ] - [ -0.0000695900000000, 0.0038262400000000, 0.0020595700000000 ] - [ 0.0007194900000000, -0.0002069200000000, -0.0005842800000000 ] - [ 0.0010317500000000, 0.0000756100000000, -0.0002486200000000 ] - [ 0.0003862200000000, 0.0004256400000000, -0.0006554700000000 ] - [ 0.0004303100000000, 0.0002639500000000, 0.0002466200000000 ] - [ -0.0018265200000000, -0.0047841400000000, 0.0019278900000000 ] - [ -0.0001065600000000, 0.0007445400000000, 0.0007952700000000 ] - [ 0.0002348100000000, 0.0000043300000000, 0.0003140400000000 ] - [ 0.0006069200000000, -0.0000839200000000, 0.0000130700000000 ] - [ -0.0002360500000000, 0.0002334500000000, 0.0002640700000000 ] - [ 0.0006150400000000, -0.0003176300000000, 0.0002054600000000 ] - [ 0.0008046500000000, 0.0014679500000000, 0.0024248700000000 ] - [ 0.0002572400000000, 0.0002796200000000, 0.0000129300000000 ] - [ 0.0001856100000000, 0.0003396700000000, -0.0005512300000000 ] - [ 0.0012500700000000, 0.0010076800000000, -0.0006780800000000 ] - [ -0.0007796900000000, 0.0008176300000000, 0.0006090300000000 ] - [ -0.0003528800000000, -0.0002511600000000, 0.0000928000000000 ] - [ 0.0006618200000000, 0.0000909800000000, 0.0003222300000000 ] - [ -0.0000739800000000, -0.0008278200000000, -0.0007556600000000 ] - [ 0.0003423900000000, -0.0006013900000000, 0.0000273500000000 ] - [ 0.0006261200000000, -0.0002166400000000, -0.0001323600000000 ]- atom: 69 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0004097200000000, -0.0000278100000000, -0.0004469600000000 ] - [ 0.0019266800000000, 0.0001720500000000, -0.0022417600000000 ] - [ -0.0002065200000000, -0.0000725100000000, 0.0004465700000000 ] - [ 0.0000448400000000, -0.0000003400000000, 0.0000312600000000 ] - [ 0.0004582100000000, -0.0011373500000000, -0.0001270500000000 ] - [ 0.0004276300000000, -0.0000053200000000, 0.0000129600000000 ] - [ 0.0001736200000000, -0.0001729700000000, 0.0002854400000000 ] - [ 0.0002723600000000, -0.0000034300000000, -0.0000252900000000 ] - [ -0.0004561100000000, -0.0000010300000000, 0.0007773100000000 ] - [ 0.0004378000000000, -0.0000563300000000, -0.0006323000000000 ] - [ 0.0002038700000000, 0.0000408700000000, -0.0002866100000000 ] - [ 0.0001545200000000, 0.0000094000000000, 0.0001432600000000 ] - [ -0.0009680000000000, -0.0021269100000000, -0.0021732000000000 ] - [ 0.0001346000000000, 0.0000347300000000, 0.0004527100000000 ] - [ -0.0001462600000000, 0.0001052700000000, 0.0001885000000000 ] - [ -0.0026948200000000, 0.0026330400000000, -0.0031673900000000 ] - [ -0.0018131900000000, -0.0035089300000000, -0.0007093700000000 ] - [ 0.0007359200000000, -0.0000562000000000, -0.0001348900000000 ] - [ 0.0004002400000000, -0.0000646800000000, 0.0003558000000000 ] - [ 0.0008565400000000, 0.0000861900000000, 0.0000539100000000 ] - [ -0.0006063600000000, 0.0000717200000000, 0.0003492300000000 ] - [ -0.0004168600000000, -0.0001347900000000, -0.0001749900000000 ] - [ -0.0002410000000000, 0.0001147400000000, 0.0001457300000000 ] - [ -0.0025710000000000, 0.0080982600000000, -0.0001890900000000 ] - [ 0.0027364100000000, 0.0001734900000000, 0.0002545300000000 ] - [ 0.0001435300000000, -0.0001636000000000, 0.0010650900000000 ] - [ -0.0008454500000000, 0.0000927000000000, 0.0014824400000000 ] - [ 0.0005595700000000, -0.0002254300000000, -0.0004852000000000 ] - [ -0.0036180000000000, -0.0016817200000000, -0.0023457200000000 ] - [ -0.0019240400000000, -0.0241408700000000, -0.0145707300000000 ] - [ 0.0011155600000000, 0.0002105200000000, -0.0013600100000000 ] - [ 0.0000719700000000, 0.0000185100000000, 0.0000948600000000 ] - [ 0.0011827600000000, -0.0009340100000000, 0.0004288300000000 ] - [ -0.0022033600000000, -0.0020997300000000, 0.0000257500000000 ] - [ -0.0003796300000000, 0.0007241700000000, 0.0007636100000000 ] - [ 0.0006978000000000, 0.0006434100000000, -0.0002925600000000 ] - [ 0.0018150300000000, -0.0002468600000000, -0.0008246000000000 ] - [ 0.0007760300000000, 0.0000427500000000, 0.0001583400000000 ] - [ -0.0015721000000000, 0.0001704200000000, -0.0004945900000000 ] - [ -0.0000914800000000, 0.0014371500000000, -0.0000979200000000 ] - [ -0.0966784500000000, -0.1167920200000000, -0.0410564900000000 ] - [ 0.0102460300000000, 0.0089148500000000, -0.0045312000000000 ] - [ 0.0009065700000000, 0.0012643700000000, 0.0017996100000000 ] - [ 0.0013139000000000, -0.0005565000000000, 0.0008317300000000 ] - [ -0.0003219700000000, -0.0005410800000000, 0.0008377800000000 ] - [ -0.0002708600000000, 0.0028113200000000, 0.0004436800000000 ] - [ -0.0001076200000000, -0.0000498600000000, 0.0001268400000000 ] - [ 0.0017580100000000, 0.0010715600000000, -0.0002667700000000 ] - [ -0.0001995900000000, 0.0014883500000000, -0.0011452000000000 ] - [ 0.0000524700000000, 0.0001639700000000, 0.0005186000000000 ] - [ -0.0007298200000000, -0.0007081700000000, 0.0001735000000000 ] - [ -0.0000630300000000, 0.0000704200000000, 0.0001488800000000 ] - [ 0.0000742200000000, 0.0000978300000000, -0.0001745500000000 ] - [ 0.0002977800000000, 0.0001264300000000, -0.0002647800000000 ] - [ -0.0011448900000000, 0.0051649200000000, 0.0041776400000000 ] - [ 0.0004470100000000, -0.0003216000000000, 0.0001053000000000 ] - [ -0.0001818800000000, -0.0001772100000000, 0.0007673800000000 ] - [ 0.0001320100000000, 0.0002622700000000, 0.0000843500000000 ] - [ -0.0000838500000000, -0.0002855700000000, 0.0001509500000000 ] - [ -0.0001791300000000, 0.0005692400000000, 0.0000150200000000 ] - [ 0.0000119300000000, -0.0000748800000000, -0.0002008800000000 ] - [ 0.0000514300000000, 0.0000069500000000, -0.0002445400000000 ] - [ 0.0019071700000000, 0.0005559800000000, 0.0001489600000000 ] - [ 0.0002275500000000, -0.0001443400000000, -0.0003278500000000 ] - [ 0.0004681400000000, 0.0011262700000000, 0.0004522000000000 ] - [ 0.0002182500000000, 0.0000107200000000, -0.0001307200000000 ] - [ -0.0008308100000000, 0.0006134500000000, 0.0001023200000000 ] - [ 0.0002736900000000, -0.0000257100000000, -0.0003224200000000 ] - [ 0.1489972600000000, 0.1885669500000000, 0.0893626800000000 ] - [ -0.0171866800000000, -0.0298859000000000, 0.0026259300000000 ] - [ -0.0000168000000000, 0.0005440500000000, -0.0000422800000000 ] - [ 0.0006816700000000, -0.0001184200000000, 0.0003650300000000 ] - [ -0.0001240500000000, -0.0006706400000000, -0.0005576900000000 ] - [ -0.0001704800000000, -0.0005382400000000, -0.0000376500000000 ] - [ -0.0006896300000000, -0.0003740400000000, -0.0007563600000000 ] - [ 0.0054710800000000, 0.0118509400000000, 0.0013556000000000 ] - [ -0.0003408100000000, -0.0003623400000000, 0.0003586700000000 ] - [ -0.0011454200000000, 0.0001967100000000, 0.0001397800000000 ] - [ -0.0012955400000000, -0.0004260300000000, 0.0003041900000000 ] - [ -0.0011761300000000, 0.0005671900000000, -0.0008013200000000 ] - [ -0.0000479000000000, -0.0003385800000000, -0.0007676900000000 ] - [ -0.0004452800000000, -0.0000312700000000, -0.0003918600000000 ] - [ -0.0008701400000000, -0.0000164000000000, 0.0002408000000000 ] - [ 0.0005662100000000, -0.0001279400000000, 0.0009219000000000 ] - [ 0.0001176200000000, 0.0008114900000000, 0.0003484700000000 ] - [ 0.0003469300000000, 0.0004681500000000, -0.0001996900000000 ] - [ -0.0006785200000000, -0.0001527400000000, -0.0000231700000000 ] - [ 0.0002766000000000, -0.0007862500000000, 0.0004564200000000 ] - [ -0.0002400700000000, 0.0000065900000000, -0.0000046700000000 ] - [ 0.0009714500000000, -0.0021318200000000, 0.0009331600000000 ] - [ -0.0001585600000000, -0.0088481700000000, -0.0005186200000000 ] - [ 0.0002826800000000, 0.0000850000000000, -0.0007063000000000 ] - [ -0.0001422800000000, -0.0003660600000000, -0.0007050000000000 ] - [ 0.0002699100000000, 0.0001642300000000, -0.0003384300000000 ] - [ -0.0005445900000000, -0.0002190100000000, -0.0000852600000000 ] - [ 0.0002394700000000, 0.0004075400000000, -0.0006170600000000 ] - [ -0.0053904600000000, 0.0018062400000000, -0.0037689700000000 ] - [ -0.0007337100000000, -0.0010641900000000, 0.0007686300000000 ] - [ -0.0001187300000000, 0.0002566800000000, 0.0003822900000000 ] - [ -0.0002500100000000, -0.0001816500000000, -0.0001787000000000 ] - [ -0.0000749900000000, 0.0002803200000000, -0.0004744100000000 ] - [ -0.0011378900000000, -0.0013427500000000, 0.0031352500000000 ] - [ -0.0003700000000000, 0.0007824600000000, -0.0006543600000000 ] - [ -0.0292970200000000, -0.0300734600000000, -0.0022149600000000 ] - [ -0.0024734900000000, -0.0010720400000000, 0.0005036200000000 ] - [ -0.0000801400000000, -0.0000978700000000, -0.0004522200000000 ] - [ 0.0005078600000000, 0.0001282800000000, 0.0001248200000000 ] - [ -0.0000190200000000, -0.0006293700000000, -0.0003905600000000 ] - [ -0.0103516700000000, 0.0010515700000000, -0.0137345800000000 ] - [ 0.0002915600000000, -0.0011239600000000, 0.0006748600000000 ] - [ -0.0003754700000000, -0.0000736100000000, 0.0006094800000000 ] - [ -0.0000371900000000, 0.0000683300000000, 0.0000388600000000 ] - [ 0.0009515100000000, -0.0004869700000000, -0.0003589100000000 ] - [ -0.0003940500000000, -0.0003740400000000, -0.0004652100000000 ] - [ 0.0055652700000000, -0.0082856400000000, -0.0070049000000000 ] - [ 0.0002450000000000, -0.0029095300000000, -0.0023819100000000 ] - [ -0.0015851600000000, 0.0006909900000000, 0.0006907100000000 ] - [ -0.0004749400000000, -0.0001388100000000, -0.0002058300000000 ] - [ -0.0002413300000000, 0.0005418600000000, -0.0000530100000000 ] - [ -0.0004591300000000, 0.0005555000000000, 0.0003565600000000 ] - [ 0.0023700100000000, 0.0047074900000000, -0.0013576200000000 ] - [ 0.0002550200000000, 0.0002223600000000, -0.0000884200000000 ] - [ -0.0002530700000000, 0.0000668700000000, 0.0001602600000000 ] - [ -0.0000441200000000, 0.0001470400000000, -0.0004672700000000 ] - [ -0.0006233400000000, -0.0007207300000000, -0.0003647500000000 ] - [ -0.0006465100000000, -0.0005007700000000, 0.0003985800000000 ] - [ -0.0013776000000000, -0.0014062700000000, -0.0019898900000000 ] - [ 0.0001298300000000, 0.0003879800000000, -0.0003752100000000 ] - [ -0.0005771100000000, 0.0003273600000000, 0.0001915400000000 ] - [ -0.0003766100000000, -0.0014671400000000, 0.0007875300000000 ] - [ 0.0013506300000000, -0.0007634800000000, -0.0001525300000000 ] - [ 0.0003807700000000, -0.0005663200000000, -0.0006957900000000 ] - [ -0.0006675300000000, 0.0001670600000000, -0.0008663900000000 ] - [ 0.0004774600000000, 0.0014950700000000, 0.0011050200000000 ] - [ 0.0006191100000000, -0.0008915900000000, -0.0008199500000000 ] - [ -0.0002369800000000, -0.0004487800000000, -0.0002264200000000 ]- atom: 69 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0005066100000000, 0.0004851800000000, 0.0005634800000000 ] - [ 0.0004771300000000, -0.0001760000000000, 0.0014110500000000 ] - [ -0.0004449600000000, -0.0007715700000000, -0.0019202900000000 ] - [ 0.0001785300000000, -0.0000890400000000, -0.0005580200000000 ] - [ -0.0024654800000000, 0.0013280400000000, 0.0004492400000000 ] - [ -0.0003054800000000, 0.0000607500000000, 0.0003372600000000 ] - [ -0.0004016500000000, -0.0001222100000000, -0.0006152200000000 ] - [ -0.0005686500000000, 0.0002244700000000, 0.0005610400000000 ] - [ 0.0006011200000000, -0.0000314200000000, -0.0009792400000000 ] - [ -0.0001899300000000, 0.0000203200000000, 0.0000092200000000 ] - [ -0.0001588600000000, -0.0000290700000000, -0.0008449400000000 ] - [ -0.0000283800000000, -0.0000156700000000, -0.0002146800000000 ] - [ 0.0020990400000000, 0.0024319300000000, 0.0013564200000000 ] - [ -0.0004967700000000, 0.0000426500000000, -0.0012447900000000 ] - [ 0.0006315200000000, -0.0001873300000000, -0.0007072100000000 ] - [ -0.0003378800000000, 0.0031980300000000, 0.0010424100000000 ] - [ 0.0008426300000000, 0.0002897000000000, 0.0054290600000000 ] - [ 0.0006679300000000, -0.0000724900000000, 0.0000206300000000 ] - [ 0.0005393500000000, 0.0000181200000000, -0.0016739500000000 ] - [ 0.0001281500000000, 0.0000528000000000, -0.0001751000000000 ] - [ -0.0004866800000000, 0.0000751800000000, -0.0008904600000000 ] - [ 0.0000541900000000, -0.0000248600000000, -0.0000454500000000 ] - [ -0.0011531200000000, -0.0000088900000000, -0.0001113300000000 ] - [ 0.0007570200000000, -0.0002934000000000, 0.0026323900000000 ] - [ -0.0045050800000000, -0.0015478600000000, 0.0021114500000000 ] - [ -0.0008991100000000, -0.0001638400000000, -0.0030684600000000 ] - [ 0.0008570600000000, 0.0000616400000000, -0.0029343700000000 ] - [ -0.0004560100000000, 0.0001746000000000, -0.0018981600000000 ] - [ 0.0040283300000000, 0.0012675600000000, 0.0046087800000000 ] - [ 0.0017955500000000, 0.0133606300000000, 0.0338956900000000 ] - [ -0.0005592300000000, -0.0000640600000000, 0.0001809500000000 ] - [ 0.0006045300000000, 0.0004122900000000, -0.0016130200000000 ] - [ -0.0014373500000000, -0.0001168700000000, -0.0006745200000000 ] - [ 0.0149349200000000, 0.0057386100000000, -0.0051645400000000 ] - [ 0.0002959300000000, 0.0005851600000000, -0.0039283500000000 ] - [ 0.0001119100000000, 0.0006539700000000, 0.0005061800000000 ] - [ -0.0004796100000000, 0.0001496000000000, 0.0014629600000000 ] - [ 0.0001371700000000, 0.0002074400000000, -0.0015113700000000 ] - [ 0.0021021200000000, -0.0015464200000000, -0.0034321600000000 ] - [ 0.0011455500000000, 0.0002271200000000, -0.0004790800000000 ] - [ 0.0593585100000000, 0.0401536100000000, 0.0840535800000000 ] - [ -0.0005978800000000, -0.0001750700000000, 0.0040765400000000 ] - [ -0.0027744200000000, -0.0001586900000000, -0.0017392400000000 ] - [ -0.0024911100000000, -0.0008956800000000, -0.0002600100000000 ] - [ -0.0000298200000000, -0.0007907300000000, -0.0035301200000000 ] - [ -0.0001232600000000, -0.0051596500000000, -0.0015278200000000 ] - [ -0.0003369300000000, -0.0001192500000000, -0.0019988400000000 ] - [ -0.0009754600000000, -0.0005938400000000, 0.0016971400000000 ] - [ 0.0004092300000000, -0.0010169500000000, 0.0010179500000000 ] - [ -0.0001381800000000, -0.0007797700000000, -0.0011758200000000 ] - [ -0.0007783900000000, 0.0004763000000000, -0.0004811000000000 ] - [ 0.0003476700000000, 0.0000917600000000, 0.0000812900000000 ] - [ 0.0000338500000000, 0.0000882800000000, -0.0004591600000000 ] - [ -0.0001686300000000, 0.0000622900000000, -0.0000815100000000 ] - [ 0.0034280800000000, -0.0125025000000000, -0.0101996900000000 ] - [ -0.0002151400000000, -0.0007152600000000, 0.0006929700000000 ] - [ -0.0000974400000000, 0.0001189300000000, -0.0008458100000000 ] - [ 0.0001025900000000, -0.0002895000000000, -0.0006089600000000 ] - [ -0.0000968000000000, 0.0002813900000000, -0.0005734100000000 ] - [ -0.0002003200000000, 0.0017904000000000, -0.0019403500000000 ] - [ -0.0000655200000000, -0.0001091500000000, -0.0004058200000000 ] - [ -0.0001506100000000, 0.0005070700000000, 0.0004781800000000 ] - [ -0.0012507400000000, 0.0002680000000000, -0.0003175500000000 ] - [ -0.0002773800000000, -0.0000678200000000, -0.0000408700000000 ] - [ -0.0043858700000000, 0.0003464400000000, -0.0014623800000000 ] - [ -0.0005138700000000, -0.0005209900000000, 0.0018968300000000 ] - [ 0.0001927700000000, 0.0009254600000000, 0.0007139700000000 ] - [ -0.0005879300000000, -0.0001890500000000, 0.0006526800000000 ] - [ -0.0980021700000000, -0.0891826500000000, -0.1514031200000000 ] - [ 0.0015308500000000, 0.0033614000000000, -0.0068341500000000 ] - [ 0.0001381000000000, 0.0002978800000000, 0.0007151500000000 ] - [ -0.0014579200000000, 0.0000352000000000, 0.0019278800000000 ] - [ 0.0017376300000000, 0.0002982300000000, 0.0000858800000000 ] - [ -0.0000602400000000, -0.0003527500000000, 0.0008659400000000 ] - [ 0.0008394400000000, -0.0002115400000000, -0.0007381700000000 ] - [ -0.0002499800000000, -0.0010465400000000, -0.0140154000000000 ] - [ 0.0003359100000000, -0.0007290100000000, -0.0004950300000000 ] - [ 0.0002527500000000, 0.0010029400000000, -0.0007039200000000 ] - [ 0.0003225100000000, 0.0004444700000000, -0.0011083600000000 ] - [ 0.0018683500000000, -0.0005321900000000, 0.0003915500000000 ] - [ 0.0006759900000000, -0.0004887700000000, 0.0016961000000000 ] - [ -0.0004535900000000, 0.0001732900000000, 0.0005185800000000 ] - [ 0.0005822000000000, -0.0000306500000000, -0.0001855600000000 ] - [ -0.0016392100000000, -0.0033379000000000, 0.0010036700000000 ] - [ 0.0009038100000000, 0.0006049700000000, 0.0003905200000000 ] - [ -0.0033240500000000, 0.0002319600000000, 0.0048663600000000 ] - [ 0.0009416600000000, -0.0007287700000000, 0.0006932900000000 ] - [ 0.0004339200000000, -0.0006796700000000, 0.0004191200000000 ] - [ 0.0004639500000000, -0.0000145000000000, 0.0009092700000000 ] - [ 0.0003382300000000, -0.0010900500000000, 0.0003709400000000 ] - [ -0.0002889900000000, -0.0006797700000000, -0.0025347700000000 ] - [ 0.0000910100000000, 0.0000288700000000, 0.0012815700000000 ] - [ 0.0003364800000000, -0.0007714900000000, 0.0004093700000000 ] - [ 0.0006687600000000, 0.0005018100000000, 0.0013480500000000 ] - [ -0.0005669500000000, -0.0004201700000000, 0.0007504400000000 ] - [ 0.0001925300000000, 0.0000920800000000, 0.0014211400000000 ] - [ 0.0133319500000000, 0.0036224700000000, 0.0034684600000000 ] - [ -0.0008349100000000, -0.0006607100000000, 0.0002134800000000 ] - [ -0.0003220000000000, 0.0003279900000000, 0.0001160200000000 ] - [ -0.0002716500000000, -0.0002792300000000, -0.0002186300000000 ] - [ -0.0002834900000000, 0.0007837100000000, 0.0003268400000000 ] - [ -0.0004226800000000, 0.0007404800000000, -0.0025908100000000 ] - [ -0.0005711800000000, 0.0004573200000000, 0.0008004200000000 ] - [ 0.0008257200000000, 0.0000816200000000, -0.0148140400000000 ] - [ 0.0000278600000000, 0.0007358100000000, -0.0013253600000000 ] - [ 0.0007108300000000, 0.0005207000000000, 0.0007715400000000 ] - [ -0.0011111500000000, -0.0001564000000000, 0.0016480500000000 ] - [ 0.0003391000000000, -0.0002182800000000, 0.0029011400000000 ] - [ 0.0265048600000000, 0.0227752000000000, 0.0310684800000000 ] - [ -0.0007490400000000, 0.0007675200000000, 0.0000782400000000 ] - [ 0.0002868700000000, -0.0000218100000000, -0.0006838900000000 ] - [ 0.0003818900000000, 0.0004962400000000, 0.0015238300000000 ] - [ -0.0014872600000000, 0.0003946100000000, -0.0001046500000000 ] - [ 0.0000136000000000, -0.0002245800000000, 0.0006075100000000 ] - [ -0.0042475400000000, 0.0061857900000000, 0.0024894500000000 ] - [ 0.0000515300000000, 0.0083224700000000, 0.0065456500000000 ] - [ 0.0008425100000000, -0.0003223000000000, -0.0015393300000000 ] - [ 0.0005888200000000, -0.0001280200000000, -0.0007819100000000 ] - [ 0.0001164400000000, 0.0002800100000000, -0.0009191700000000 ] - [ 0.0001668400000000, 0.0003539400000000, 0.0003509400000000 ] - [ -0.0073618400000000, -0.0035996800000000, 0.0253287000000000 ] - [ -0.0000488900000000, -0.0001492700000000, 0.0033065600000000 ] - [ -0.0000674700000000, -0.0000604400000000, 0.0006821900000000 ] - [ 0.0006464700000000, -0.0001914900000000, 0.0003981800000000 ] - [ 0.0012932000000000, 0.0013478200000000, 0.0016384900000000 ] - [ 0.0006118500000000, -0.0003133300000000, 0.0001287900000000 ] - [ 0.0015742800000000, 0.0020623400000000, 0.0014248100000000 ] - [ -0.0000995700000000, 0.0001814100000000, 0.0008571200000000 ] - [ -0.0001764800000000, 0.0004422800000000, -0.0012161100000000 ] - [ -0.0000493800000000, 0.0001310800000000, -0.0014867800000000 ] - [ -0.0011011300000000, 0.0014626300000000, 0.0020274100000000 ] - [ -0.0004006900000000, -0.0000144900000000, 0.0014623000000000 ] - [ 0.0015473100000000, 0.0002801900000000, 0.0006072900000000 ] - [ -0.0037207900000000, 0.0009388500000000, 0.0032135800000000 ] - [ 0.0004214800000000, -0.0004908100000000, 0.0012932300000000 ] - [ 0.0006936600000000, -0.0004691200000000, -0.0012505100000000 ]- atom: 69 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0005052100000000, -0.0002178900000000, -0.0005624100000000 ] - [ -0.0004641400000000, 0.0001824900000000, -0.0014424500000000 ] - [ 0.0004477100000000, 0.0007784700000000, 0.0018024400000000 ] - [ -0.0001766900000000, 0.0000885700000000, 0.0005593500000000 ] - [ 0.0024602700000000, -0.0015942800000000, -0.0004269300000000 ] - [ 0.0003108600000000, -0.0000596300000000, -0.0002075700000000 ] - [ 0.0004054500000000, -0.0001433400000000, 0.0006162400000000 ] - [ 0.0005708900000000, -0.0002260300000000, -0.0005662300000000 ] - [ -0.0006005000000000, 0.0000309000000000, 0.0018335200000000 ] - [ 0.0001955400000000, -0.0000199700000000, -0.0008655400000000 ] - [ 0.0001592600000000, 0.0000291800000000, -0.0000065300000000 ] - [ 0.0000303800000000, 0.0000166100000000, 0.0003399100000000 ] - [ -0.0021382000000000, -0.0025434000000000, -0.0012743600000000 ] - [ 0.0004939500000000, -0.0000427200000000, 0.0012464200000000 ] - [ -0.0006375500000000, 0.0004556100000000, 0.0007055700000000 ] - [ 0.0003216700000000, -0.0032019100000000, -0.0002323400000000 ] - [ -0.0019030500000000, -0.0004203500000000, -0.0053396100000000 ] - [ 0.0003755400000000, -0.0000476600000000, -0.0001230800000000 ] - [ 0.0005000600000000, -0.0001376100000000, 0.0017839400000000 ] - [ 0.0009174200000000, 0.0000665000000000, 0.0000693800000000 ] - [ -0.0005532900000000, 0.0000449500000000, 0.0009962100000000 ] - [ -0.0010969800000000, -0.0000944800000000, -0.0000659100000000 ] - [ 0.0001114400000000, 0.0001280400000000, 0.0000126200000000 ] - [ 0.0002737000000000, 0.0004473800000000, -0.0025176000000000 ] - [ 0.0045276200000000, 0.0015566400000000, -0.0021255100000000 ] - [ 0.0008928400000000, 0.0001642200000000, 0.0030756900000000 ] - [ -0.0008582700000000, -0.0000582500000000, 0.0046514700000000 ] - [ 0.0004582600000000, -0.0001753800000000, 0.0001911200000000 ] - [ -0.0040336700000000, -0.0013135700000000, -0.0047089700000000 ] - [ -0.0024559000000000, -0.0151371900000000, -0.0338341700000000 ] - [ 0.0005812800000000, 0.0000639900000000, -0.0019030400000000 ] - [ -0.0005994700000000, -0.0004095000000000, 0.0016167100000000 ] - [ 0.0015267000000000, -0.0011570200000000, 0.0007517800000000 ] - [ -0.0143221900000000, -0.0059445200000000, 0.0056821600000000 ] - [ -0.0002264000000000, 0.0006861100000000, 0.0038545500000000 ] - [ -0.0000325600000000, 0.0006185200000000, -0.0004205800000000 ] - [ 0.0012597500000000, -0.0002998300000000, -0.0019711200000000 ] - [ 0.0006342100000000, -0.0000586300000000, 0.0010021000000000 ] - [ -0.0028644400000000, 0.0013916700000000, 0.0039365800000000 ] - [ -0.0012183600000000, 0.0010477300000000, 0.0005453200000000 ] - [ -0.0586345200000000, -0.0411194100000000, -0.0846901400000000 ] - [ 0.0004962700000000, 0.0014630600000000, -0.0041356500000000 ] - [ 0.0020220900000000, 0.0003075000000000, 0.0022503900000000 ] - [ 0.0024116800000000, -0.0003793900000000, 0.0003634200000000 ] - [ -0.0000389600000000, -0.0004811500000000, 0.0034617000000000 ] - [ 0.0008813600000000, 0.0052965000000000, 0.0020645200000000 ] - [ -0.0004346200000000, -0.0000310800000000, 0.0014883600000000 ] - [ 0.0002418100000000, 0.0007485000000000, -0.0021896800000000 ] - [ -0.0002095400000000, 0.0012845100000000, -0.0009311400000000 ] - [ 0.0003405400000000, 0.0005069200000000, 0.0012598600000000 ] - [ 0.0008739300000000, -0.0006461000000000, 0.0009649800000000 ] - [ -0.0002624800000000, 0.0000805000000000, 0.0004007500000000 ] - [ 0.0000505900000000, 0.0000838300000000, -0.0000219000000000 ] - [ 0.0000855900000000, 0.0001100300000000, -0.0004009500000000 ] - [ -0.0035971300000000, 0.0121986500000000, 0.0102630100000000 ] - [ 0.0004189300000000, 0.0004364100000000, -0.0007626500000000 ] - [ 0.0000118900000000, -0.0002898100000000, 0.0013238900000000 ] - [ 0.0000966400000000, 0.0005589400000000, 0.0005239400000000 ] - [ -0.0001026800000000, -0.0005531000000000, 0.0004911900000000 ] - [ 0.0000004100000000, -0.0015215800000000, 0.0020258700000000 ] - [ -0.0000185700000000, -0.0000628700000000, -0.0000752800000000 ] - [ -0.0000483800000000, -0.0002343800000000, -0.0005589000000000 ] - [ 0.0011719400000000, -0.0001033700000000, 0.0007921800000000 ] - [ 0.0003789800000000, -0.0001009900000000, -0.0004430100000000 ] - [ 0.0035686200000000, 0.0001301600000000, 0.0013947500000000 ] - [ 0.0005216200000000, 0.0002658700000000, -0.0013594900000000 ] - [ -0.0011524200000000, 0.0005627900000000, 0.0000698800000000 ] - [ 0.0006035900000000, 0.0001175800000000, -0.0011304300000000 ] - [ 0.0978741700000000, 0.0899250000000000, 0.1528860600000000 ] - [ -0.0014423600000000, -0.0024927300000000, 0.0062565200000000 ] - [ 0.0000332200000000, 0.0006733800000000, -0.0004272100000000 ] - [ 0.0008901900000000, -0.0000956400000000, -0.0014756100000000 ] - [ -0.0008873900000000, -0.0007820400000000, -0.0001868400000000 ] - [ -0.0001112300000000, -0.0006170900000000, -0.0005756900000000 ] - [ -0.0009899700000000, -0.0007511800000000, 0.0000066100000000 ] - [ 0.0000633000000000, 0.0012905900000000, 0.0145463800000000 ] - [ -0.0001667600000000, -0.0002420300000000, 0.0007833600000000 ] - [ -0.0004399300000000, -0.0000341000000000, 0.0009843700000000 ] - [ -0.0009021200000000, -0.0003862400000000, 0.0006588900000000 ] - [ -0.0018783900000000, 0.0007930200000000, -0.0009358400000000 ] - [ -0.0002900500000000, -0.0001779100000000, -0.0013366200000000 ] - [ -0.0001107100000000, -0.0002349200000000, -0.0009732600000000 ] - [ -0.0006062200000000, -0.0000405700000000, 0.0006652300000000 ] - [ 0.0018318700000000, 0.0023917400000000, -0.0012835600000000 ] - [ 0.0000527000000000, 0.0008867000000000, 0.0004017100000000 ] - [ 0.0029753900000000, 0.0004378600000000, -0.0045408600000000 ] - [ -0.0009206100000000, -0.0000851100000000, -0.0000991000000000 ] - [ 0.0005245900000000, -0.0008094800000000, 0.0003698000000000 ] - [ -0.0004458800000000, -0.0000563600000000, -0.0004358600000000 ] - [ -0.0007182900000000, 0.0004161100000000, -0.0000306800000000 ] - [ -0.0006524200000000, -0.0008184400000000, 0.0017447900000000 ] - [ -0.0001047600000000, 0.0000405600000000, -0.0017583100000000 ] - [ -0.0001914700000000, -0.0001948700000000, -0.0011193500000000 ] - [ 0.0001950900000000, -0.0000197200000000, -0.0012463200000000 ] - [ -0.0002961300000000, -0.0000617800000000, -0.0006478600000000 ] - [ -0.0002165500000000, 0.0007249000000000, -0.0020257900000000 ] - [ -0.0134813200000000, -0.0035879200000000, -0.0039835400000000 ] - [ -0.0001280600000000, -0.0008317000000000, 0.0005849700000000 ] - [ 0.0003440500000000, 0.0004907500000000, 0.0004910400000000 ] - [ 0.0002711300000000, 0.0000206400000000, -0.0003254000000000 ] - [ 0.0001360700000000, 0.0001830500000000, -0.0010304400000000 ] - [ 0.0002756100000000, 0.0002258000000000, 0.0032960200000000 ] - [ -0.0003908000000000, 0.0010342300000000, -0.0015945000000000 ] - [ -0.0000581900000000, 0.0011747700000000, 0.0139703800000000 ] - [ -0.0000226700000000, -0.0010040100000000, 0.0018716300000000 ] - [ -0.0008883400000000, 0.0004527000000000, -0.0010607800000000 ] - [ 0.0019679600000000, 0.0006379600000000, -0.0017497600000000 ] - [ -0.0004914700000000, -0.0007474500000000, -0.0021970800000000 ] - [ -0.0257876700000000, -0.0233993200000000, -0.0297327200000000 ] - [ 0.0005753300000000, -0.0017342700000000, -0.0003694500000000 ] - [ -0.0002962600000000, 0.0000971500000000, 0.0011794300000000 ] - [ -0.0003892900000000, -0.0002417800000000, -0.0009864800000000 ] - [ 0.0014870500000000, -0.0006506100000000, -0.0004269400000000 ] - [ -0.0004051200000000, -0.0004417800000000, -0.0009691800000000 ] - [ 0.0042969700000000, -0.0063282500000000, -0.0029632500000000 ] - [ 0.0001215000000000, -0.0073200100000000, -0.0068084800000000 ] - [ -0.0017118300000000, 0.0008073900000000, 0.0016489400000000 ] - [ -0.0000349800000000, 0.0000639600000000, 0.0003270300000000 ] - [ 0.0000287900000000, 0.0006865000000000, 0.0002035800000000 ] - [ -0.0001945700000000, 0.0004644500000000, 0.0002482800000000 ] - [ 0.0080166000000000, 0.0035820600000000, -0.0254143400000000 ] - [ 0.0001989900000000, 0.0011170900000000, -0.0025998000000000 ] - [ 0.0000474000000000, 0.0001311500000000, -0.0002079600000000 ] - [ -0.0000836900000000, 0.0002540500000000, -0.0008526100000000 ] - [ -0.0021485500000000, -0.0018263200000000, -0.0017490800000000 ] - [ -0.0006470500000000, -0.0005071500000000, 0.0004790700000000 ] - [ -0.0021466100000000, -0.0020163800000000, -0.0009746900000000 ] - [ 0.0004909900000000, 0.0004856200000000, -0.0012184200000000 ] - [ -0.0002172800000000, 0.0002247700000000, 0.0008514200000000 ] - [ 0.0008871200000000, -0.0006072800000000, 0.0015911400000000 ] - [ 0.0016711100000000, -0.0014004300000000, -0.0015815800000000 ] - [ 0.0004241500000000, -0.0008036900000000, -0.0020681600000000 ] - [ -0.0015424200000000, -0.0000212200000000, -0.0011544400000000 ] - [ 0.0040789900000000, -0.0002685200000000, -0.0028360700000000 ] - [ 0.0005410200000000, -0.0009990300000000, -0.0020866300000000 ] - [ -0.0003090400000000, -0.0001995400000000, 0.0008753300000000 ]- atom: 71 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0002565500000000, 0.0001474100000000, 0.0002459300000000 ] - [ -0.0002719200000000, -0.0000532700000000, 0.0001042400000000 ] - [ -0.0006736200000000, 0.0001012600000000, -0.0003228900000000 ] - [ 0.0014052300000000, 0.0006672200000000, 0.0023589500000000 ] - [ -0.0002612600000000, -0.0001695300000000, -0.0001209400000000 ] - [ 0.0002295700000000, -0.0000233700000000, -0.0001413000000000 ] - [ 0.0007203800000000, -0.0003300500000000, -0.0013602900000000 ] - [ 0.0003089200000000, 0.0000970500000000, -0.0001636900000000 ] - [ -0.0008245000000000, -0.0000734500000000, 0.0008486200000000 ] - [ 0.0002111200000000, -0.0000380800000000, -0.0002690100000000 ] - [ 0.0046774900000000, -0.0006534100000000, 0.0003672200000000 ] - [ 0.0005048000000000, 0.0002176200000000, 0.0013785200000000 ] - [ -0.0002631300000000, 0.0000293100000000, 0.0000850200000000 ] - [ -0.0008418800000000, 0.0000923800000000, -0.0003681400000000 ] - [ -0.0007113700000000, 0.0000865400000000, 0.0001810600000000 ] - [ -0.0002874300000000, 0.0000620300000000, 0.0002730200000000 ] - [ -0.0004998100000000, -0.0000503600000000, 0.0001771100000000 ] - [ 0.0013117700000000, -0.0000638900000000, -0.0000472700000000 ] - [ -0.0005435400000000, -0.0000630900000000, 0.0000436300000000 ] - [ 0.0011750600000000, 0.0001292200000000, -0.0001919500000000 ] - [ -0.0027309500000000, -0.0006562100000000, -0.0001949900000000 ] - [ -0.0006361500000000, -0.0001530300000000, 0.0005519300000000 ] - [ -0.0007245500000000, 0.0001214900000000, -0.0005856700000000 ] - [ 0.0002917900000000, 0.0000589600000000, 0.0000611800000000 ] - [ 0.0007574500000000, -0.0005080000000000, -0.0001714200000000 ] - [ -0.0023401500000000, -0.0003696800000000, -0.0007250200000000 ] - [ -0.0022847600000000, 0.0003253700000000, 0.0016410000000000 ] - [ 0.0005266000000000, 0.0026588800000000, -0.0071181600000000 ] - [ -0.0006759300000000, 0.0002755500000000, 0.0003625100000000 ] - [ -0.0006127500000000, -0.0003096900000000, 0.0005231700000000 ] - [ 0.0005332800000000, 0.0002119900000000, -0.0003983800000000 ] - [ 0.0011124500000000, -0.0033954700000000, 0.0065687500000000 ] - [ 0.0009706400000000, -0.0002788000000000, 0.0016481700000000 ] - [ -0.0009104600000000, -0.0000650200000000, 0.0002625400000000 ] - [ -0.0026182200000000, 0.0006038800000000, -0.0001566900000000 ] - [ 0.0040969300000000, 0.0008731100000000, -0.0000125500000000 ] - [ 0.0010466900000000, -0.0000645000000000, -0.0001448200000000 ] - [ 0.0573060500000000, 0.0027384700000000, -0.0007846400000000 ] - [ -0.0009357900000000, 0.0001538100000000, 0.0014615300000000 ] - [ -0.0002374600000000, 0.0011357100000000, 0.0027300600000000 ] - [ -0.0006418500000000, -0.0006225800000000, -0.0000015200000000 ] - [ -0.0000346600000000, 0.0005305100000000, 0.0003644500000000 ] - [ -0.0005549600000000, -0.0004660400000000, -0.0022956600000000 ] - [ -0.0005621900000000, -0.0012650500000000, -0.0012334000000000 ] - [ -0.0045661900000000, 0.0023057200000000, -0.0017114900000000 ] - [ -0.0012264900000000, 0.0001010100000000, 0.0002857600000000 ] - [ -0.0047361900000000, -0.0026738400000000, 0.0010684700000000 ] - [ -0.0004499900000000, 0.0001688300000000, -0.0004943100000000 ] - [ 0.0000613300000000, -0.0002961600000000, 0.0005315300000000 ] - [ -0.0001231600000000, -0.0007751100000000, -0.0011126300000000 ] - [ 0.0000752100000000, -0.0000083200000000, 0.0000802400000000 ] - [ -0.0000265800000000, 0.0000357100000000, 0.0006041800000000 ] - [ -0.0008229000000000, 0.0002408500000000, -0.0003908800000000 ] - [ 0.0000658100000000, 0.0000950700000000, -0.0002293000000000 ] - [ -0.0002090200000000, -0.0001425700000000, 0.0000406200000000 ] - [ 0.0000911100000000, 0.0000787100000000, -0.0003303000000000 ] - [ -0.0002958400000000, -0.0000821300000000, 0.0002415600000000 ] - [ -0.0007412700000000, 0.0012838700000000, 0.0013652700000000 ] - [ 0.0159902300000000, -0.0014512000000000, 0.0000561900000000 ] - [ -0.0002803000000000, 0.0001899400000000, -0.0000153400000000 ] - [ 0.0021034600000000, -0.0001491700000000, -0.0003085900000000 ] - [ -0.0000929300000000, 0.0001452000000000, -0.0000309500000000 ] - [ -0.0002545200000000, 0.0000821700000000, 0.0002368100000000 ] - [ 0.0000350400000000, -0.0001107600000000, -0.0002312600000000 ] - [ 0.0002626600000000, 0.0001079000000000, -0.0000218300000000 ] - [ 0.0015479400000000, 0.0003662400000000, 0.0000286400000000 ] - [ -0.0000408600000000, 0.0011201500000000, 0.0013070200000000 ] - [ 0.0014377400000000, 0.0001427900000000, -0.0013396000000000 ] - [ 0.0003539500000000, -0.0003066500000000, -0.0002497100000000 ] - [ 0.0002147000000000, 0.0004934500000000, -0.0003278900000000 ] - [ -0.0634866500000000, -0.0076255100000000, 0.0009337200000000 ] - [ 0.0001649200000000, -0.0000161900000000, -0.0002195200000000 ] - [ -0.0002868700000000, 0.0001975200000000, 0.0006759600000000 ] - [ 0.0028182800000000, 0.0001692600000000, -0.0005251200000000 ] - [ -0.0000170000000000, -0.0004384100000000, 0.0003362500000000 ] - [ 0.0003921600000000, -0.0000007700000000, 0.0001770500000000 ] - [ -0.0001065000000000, -0.0004835300000000, 0.0001072000000000 ] - [ -0.0000615900000000, 0.0003518900000000, 0.0002880500000000 ] - [ -0.0004291600000000, -0.0000246100000000, -0.0002545200000000 ] - [ -0.0012101200000000, 0.0006488700000000, -0.0011318900000000 ] - [ 0.0007408000000000, -0.0001284400000000, 0.0018591200000000 ] - [ 0.0021084500000000, 0.0008937100000000, -0.0000881200000000 ] - [ -0.0005042600000000, -0.0000009200000000, 0.0002054700000000 ] - [ 0.0004860900000000, -0.0005207000000000, -0.0001209200000000 ] - [ -0.0001194000000000, 0.0005140200000000, 0.0001560800000000 ] - [ 0.0004974200000000, 0.0003323700000000, 0.0001862100000000 ] - [ -0.0001433600000000, -0.0004034800000000, 0.0010993900000000 ] - [ -0.0015117700000000, -0.0008419500000000, 0.0005557600000000 ] - [ 0.0015855400000000, -0.0000532000000000, 0.0011912500000000 ] - [ 0.0002014800000000, -0.0003299400000000, 0.0001574500000000 ] - [ -0.0004868800000000, -0.0007492600000000, -0.0004149400000000 ] - [ 0.0011787300000000, 0.0000396800000000, -0.0002458300000000 ] - [ -0.0077816300000000, 0.0026667600000000, -0.0042884600000000 ] - [ 0.0023984200000000, 0.0010670900000000, 0.0006951200000000 ] - [ 0.0020381400000000, 0.0276317500000000, -0.0101678300000000 ] - [ 0.0015867100000000, -0.0000157600000000, -0.0000496800000000 ] - [ -0.0000857300000000, 0.0001206300000000, -0.0001072200000000 ] - [ -0.0003853300000000, -0.0006663300000000, -0.0003148400000000 ] - [ -0.0005587200000000, 0.0000350600000000, -0.0003604700000000 ] - [ -0.0019841500000000, -0.0006882400000000, -0.0021293300000000 ] - [ 0.0004865300000000, -0.0002434100000000, -0.0023728600000000 ] - [ -0.0000352700000000, 0.0007175700000000, -0.0001355400000000 ] - [ 0.0026366800000000, -0.0003323800000000, -0.0005833500000000 ] - [ 0.0007163800000000, 0.0007533300000000, -0.0004041100000000 ] - [ -0.0002104900000000, -0.0000315700000000, 0.0002202800000000 ] - [ 0.0000670600000000, 0.0008730600000000, 0.0009278000000000 ] - [ 0.0003176800000000, 0.0002276300000000, -0.0009938400000000 ] - [ 0.0006659600000000, -0.0006780800000000, 0.0018779000000000 ] - [ 0.0003274000000000, -0.0004791900000000, 0.0003344200000000 ] - [ 0.0001309800000000, -0.0004815300000000, -0.0008867500000000 ] - [ 0.0000518100000000, -0.0000050100000000, 0.0000724500000000 ] - [ 0.0020582800000000, -0.0002093100000000, 0.0002003500000000 ] - [ 0.0006094600000000, -0.0005353400000000, -0.0010111400000000 ] - [ -0.0128349100000000, 0.0008152900000000, 0.0007078600000000 ] - [ 0.0005304500000000, -0.0000309000000000, -0.0002373400000000 ] - [ 0.0005647000000000, 0.0004892800000000, -0.0001551000000000 ] - [ -0.0008113700000000, 0.0003016800000000, 0.0000484900000000 ] - [ -0.0001038200000000, -0.0001217900000000, -0.0003899200000000 ] - [ -0.0005149300000000, 0.0004242100000000, -0.0003766200000000 ] - [ -0.0017220200000000, 0.0008905400000000, 0.0020381500000000 ] - [ 0.0009445000000000, 0.0001111400000000, 0.0001870900000000 ] - [ 0.0007074300000000, 0.0004580400000000, 0.0004395500000000 ] - [ -0.0046518800000000, -0.0000407700000000, 0.0004158600000000 ] - [ 0.0016180900000000, -0.0255851400000000, 0.0087309900000000 ] - [ 0.0006628700000000, -0.0000227500000000, 0.0003786700000000 ] - [ -0.0006381500000000, -0.0005650800000000, 0.0003270900000000 ] - [ 0.0003793900000000, 0.0003850200000000, 0.0010328200000000 ] - [ 0.0008669100000000, 0.0009363700000000, -0.0013584300000000 ] - [ -0.0005583400000000, 0.0003543000000000, -0.0002488400000000 ] - [ 0.0006663100000000, -0.0003064300000000, 0.0000439000000000 ] - [ 0.0013874400000000, -0.0002232500000000, -0.0002271800000000 ] - [ 0.0019792200000000, -0.0014733600000000, -0.0006483700000000 ] - [ 0.0004951600000000, 0.0002513600000000, 0.0000951200000000 ] - [ 0.0002584800000000, 0.0001743100000000, -0.0004515000000000 ] - [ 0.0015182700000000, -0.0007495800000000, -0.0003607200000000 ] - [ 0.0002593000000000, -0.0003365400000000, 0.0000749700000000 ]- atom: 71 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0002552600000000, 0.0001185100000000, -0.0002437000000000 ] - [ 0.0002708600000000, 0.0000531000000000, -0.0001043500000000 ] - [ 0.0006731000000000, -0.0001007500000000, 0.0001938400000000 ] - [ -0.0013288300000000, -0.0006721000000000, -0.0024477700000000 ] - [ 0.0002609600000000, -0.0000960300000000, 0.0001222200000000 ] - [ -0.0002292000000000, 0.0000239500000000, 0.0002703100000000 ] - [ -0.0006976200000000, 0.0000715600000000, 0.0013536100000000 ] - [ -0.0003051300000000, -0.0000960600000000, 0.0001662100000000 ] - [ 0.0008228100000000, 0.0000729400000000, 0.0000066600000000 ] - [ -0.0002140600000000, 0.0000389800000000, -0.0005805600000000 ] - [ -0.0049086400000000, 0.0006379400000000, -0.0014649500000000 ] - [ -0.0005267000000000, -0.0002140000000000, -0.0012562000000000 ] - [ 0.0002623700000000, -0.0000295000000000, -0.0002104400000000 ] - [ 0.0008435700000000, -0.0000928400000000, 0.0003703800000000 ] - [ 0.0007107600000000, 0.0001792300000000, -0.0001831500000000 ] - [ 0.0002885800000000, -0.0000621100000000, 0.0005791000000000 ] - [ -0.0005402100000000, -0.0000686400000000, -0.0000710100000000 ] - [ -0.0002700500000000, -0.0000559400000000, -0.0000538200000000 ] - [ 0.0015843900000000, -0.0000551400000000, 0.0000600200000000 ] - [ -0.0001343200000000, -0.0000194100000000, 0.0001089100000000 ] - [ 0.0016870400000000, 0.0007657500000000, 0.0002988900000000 ] - [ -0.0004098800000000, 0.0000345300000000, -0.0006592000000000 ] - [ -0.0003169100000000, -0.0000034500000000, 0.0004829800000000 ] - [ 0.0007494800000000, 0.0000608900000000, 0.0000437300000000 ] - [ -0.0007472700000000, 0.0005023300000000, 0.0001851400000000 ] - [ 0.0023388900000000, 0.0003719700000000, 0.0007282700000000 ] - [ 0.0022835900000000, -0.0003227400000000, 0.0000749400000000 ] - [ -0.0005342400000000, -0.0026325600000000, 0.0053816800000000 ] - [ 0.0006720700000000, -0.0002751600000000, -0.0003631700000000 ] - [ 0.0006159400000000, 0.0003098700000000, 0.0011889900000000 ] - [ -0.0005408100000000, -0.0002174100000000, -0.0013014100000000 ] - [ -0.0011061400000000, 0.0034171600000000, -0.0065856300000000 ] - [ -0.0008952100000000, -0.0009653600000000, -0.0014676600000000 ] - [ 0.0016755200000000, -0.0000835100000000, 0.0002422900000000 ] - [ 0.0026916600000000, 0.0006672900000000, 0.0000710400000000 ] - [ -0.0040198500000000, 0.0003994900000000, 0.0000998200000000 ] - [ -0.0002795000000000, -0.0000836600000000, -0.0003571400000000 ] - [ -0.0565902000000000, -0.0040615000000000, -0.0000431800000000 ] - [ 0.0001684300000000, -0.0003015500000000, -0.0009436400000000 ] - [ 0.0001502300000000, 0.0001318300000000, -0.0026671800000000 ] - [ 0.0007150100000000, -0.0006500200000000, -0.0000757300000000 ] - [ -0.0000366000000000, 0.0007413600000000, -0.0004398000000000 ] - [ -0.0001972200000000, 0.0006069500000000, 0.0027941000000000 ] - [ 0.0004884500000000, -0.0000043000000000, 0.0013226100000000 ] - [ 0.0044814000000000, -0.0035432700000000, 0.0016197900000000 ] - [ 0.0019910300000000, 0.0000480100000000, 0.0002294500000000 ] - [ 0.0039786800000000, 0.0025579800000000, -0.0015874800000000 ] - [ -0.0003199700000000, -0.0000205000000000, -0.0000114800000000 ] - [ 0.0001386200000000, 0.0005650300000000, -0.0004459900000000 ] - [ 0.0003220600000000, 0.0004985300000000, 0.0011856000000000 ] - [ 0.0000123400000000, -0.0001627100000000, 0.0004002100000000 ] - [ 0.0001115300000000, 0.0001351200000000, -0.0001222000000000 ] - [ 0.0009059800000000, -0.0000724800000000, -0.0000894500000000 ] - [ -0.0001503800000000, 0.0000768800000000, -0.0002508900000000 ] - [ 0.0000092200000000, -0.0001284400000000, 0.0000430500000000 ] - [ 0.0001088600000000, -0.0003532700000000, 0.0002512800000000 ] - [ 0.0002108400000000, -0.0000894200000000, 0.0002397300000000 ] - [ 0.0009487500000000, -0.0010242400000000, -0.0014606000000000 ] - [ -0.0161204500000000, 0.0011824800000000, -0.0004912100000000 ] - [ 0.0000803900000000, 0.0000840700000000, 0.0000946900000000 ] - [ -0.0021879600000000, 0.0000004200000000, -0.0001542400000000 ] - [ -0.0001069600000000, 0.0001297400000000, -0.0000478000000000 ] - [ 0.0001696800000000, 0.0000894100000000, 0.0002438700000000 ] - [ 0.0000494800000000, -0.0000610000000000, -0.0002495400000000 ] - [ -0.0011208200000000, 0.0003725300000000, -0.0000786500000000 ] - [ -0.0015446000000000, -0.0006221600000000, 0.0005122400000000 ] - [ -0.0009224000000000, 0.0003663100000000, -0.0005213400000000 ] - [ -0.0014230900000000, -0.0002147800000000, 0.0008632100000000 ] - [ -0.0003787000000000, -0.0005113700000000, -0.0003534800000000 ] - [ -0.0001903300000000, 0.0003250400000000, -0.0002758200000000 ] - [ 0.0637406700000000, 0.0095608500000000, 0.0006776400000000 ] - [ -0.0007304400000000, -0.0000458100000000, 0.0006698500000000 ] - [ 0.0011333500000000, -0.0006738900000000, -0.0007790100000000 ] - [ -0.0030215100000000, -0.0011512800000000, 0.0008177300000000 ] - [ -0.0001308900000000, -0.0005285700000000, -0.0010524900000000 ] - [ -0.0003876900000000, 0.0002564800000000, 0.0003629600000000 ] - [ 0.0002785900000000, -0.0004903500000000, 0.0001761200000000 ] - [ -0.0001101500000000, 0.0006208400000000, -0.0000027900000000 ] - [ -0.0001334300000000, 0.0000877500000000, -0.0002023800000000 ] - [ 0.0012006000000000, -0.0003885700000000, 0.0005703100000000 ] - [ -0.0003559400000000, -0.0005328900000000, -0.0014888500000000 ] - [ -0.0026793900000000, -0.0009827800000000, -0.0003664000000000 ] - [ 0.0004869700000000, -0.0000692500000000, 0.0002654100000000 ] - [ -0.0003128000000000, -0.0004527400000000, -0.0001641000000000 ] - [ 0.0010807500000000, 0.0009674700000000, 0.0006217000000000 ] - [ -0.0008862400000000, 0.0003340700000000, 0.0001812900000000 ] - [ 0.0001662000000000, -0.0004148500000000, -0.0005012900000000 ] - [ 0.0024718500000000, -0.0006478300000000, 0.0002365800000000 ] - [ -0.0015633400000000, -0.0000197200000000, -0.0007146600000000 ] - [ -0.0005895500000000, -0.0003358600000000, 0.0002036900000000 ] - [ -0.0004753100000000, -0.0007400400000000, -0.0003783700000000 ] - [ -0.0011948400000000, 0.0000309600000000, -0.0002315500000000 ] - [ 0.0079534100000000, -0.0034989300000000, 0.0033916700000000 ] - [ -0.0015412500000000, -0.0005922000000000, -0.0005943200000000 ] - [ -0.0028400400000000, -0.0278480200000000, 0.0101871400000000 ] - [ -0.0016093700000000, 0.0008331900000000, -0.0005514600000000 ] - [ 0.0000979600000000, -0.0000494500000000, -0.0003704200000000 ] - [ -0.0005722500000000, -0.0008225600000000, 0.0011103100000000 ] - [ 0.0005958400000000, 0.0007885400000000, 0.0009629000000000 ] - [ 0.0019859200000000, 0.0004304400000000, 0.0015868200000000 ] - [ -0.0006330900000000, 0.0012191800000000, 0.0016757500000000 ] - [ -0.0001128100000000, 0.0002524800000000, 0.0008417800000000 ] - [ -0.0035682000000000, 0.0018098500000000, -0.0002129400000000 ] - [ 0.0002452400000000, 0.0007360200000000, -0.0003884300000000 ] - [ 0.0002043800000000, -0.0002233300000000, 0.0003168900000000 ] - [ -0.0002413700000000, 0.0001037100000000, -0.0012085700000000 ] - [ 0.0005444900000000, 0.0002523400000000, 0.0008870900000000 ] - [ -0.0008130400000000, -0.0002939900000000, -0.0011550500000000 ] - [ -0.0001786100000000, -0.0004888900000000, 0.0003733300000000 ] - [ -0.0003022600000000, -0.0004899300000000, 0.0005953000000000 ] - [ -0.0000302600000000, 0.0000770300000000, 0.0004029000000000 ] - [ -0.0020598600000000, 0.0004430700000000, 0.0003411300000000 ] - [ -0.0006086300000000, 0.0002791300000000, 0.0004737200000000 ] - [ 0.0124367700000000, -0.0016010800000000, -0.0010742300000000 ] - [ -0.0005468000000000, -0.0000407100000000, -0.0002388600000000 ] - [ -0.0003913900000000, 0.0004832700000000, -0.0001345300000000 ] - [ -0.0000502400000000, 0.0001785900000000, 0.0000482600000000 ] - [ 0.0006682000000000, 0.0000588100000000, -0.0000693400000000 ] - [ 0.0006620200000000, 0.0005422200000000, -0.0003389700000000 ] - [ 0.0016962500000000, -0.0000722200000000, -0.0014343000000000 ] - [ -0.0003793100000000, -0.0001734600000000, 0.0002680100000000 ] - [ -0.0005592800000000, 0.0005092400000000, 0.0002746500000000 ] - [ 0.0046323300000000, 0.0000998700000000, 0.0000490100000000 ] - [ -0.0010785000000000, 0.0258537900000000, -0.0092443400000000 ] - [ -0.0015229100000000, -0.0004587400000000, -0.0004837100000000 ] - [ 0.0006263400000000, -0.0002481000000000, 0.0002555600000000 ] - [ -0.0009474700000000, -0.0003229000000000, -0.0005786600000000 ] - [ -0.0004748500000000, -0.0002772600000000, 0.0010040900000000 ] - [ 0.0001682500000000, 0.0003124500000000, -0.0001206700000000 ] - [ 0.0001952200000000, -0.0001740200000000, 0.0000582600000000 ] - [ -0.0008191800000000, 0.0002838300000000, 0.0006781800000000 ] - [ -0.0019508900000000, 0.0006481800000000, 0.0000458900000000 ] - [ -0.0004973800000000, 0.0000046700000000, -0.0006384900000000 ] - [ 0.0001311200000000, 0.0004908400000000, 0.0008107800000000 ] - [ -0.0005559300000000, -0.0007391400000000, -0.0004306600000000 ] - [ 0.0001308900000000, -0.0003295700000000, -0.0004418500000000 ]- atom: 71 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000089000000000, -0.0001069200000000, 0.0004929600000000 ] - [ -0.0001298800000000, 0.0000522400000000, 0.0000421800000000 ] - [ -0.0000789300000000, -0.0002861700000000, -0.0002249900000000 ] - [ 0.0009472700000000, 0.0040520100000000, -0.0009214800000000 ] - [ -0.0000266600000000, -0.0001707700000000, 0.0001863300000000 ] - [ 0.0000065800000000, -0.0002551400000000, 0.0005521600000000 ] - [ 0.0000587600000000, -0.0054442500000000, -0.0018211200000000 ] - [ 0.0006000500000000, 0.0005455900000000, 0.0004760300000000 ] - [ -0.0000708500000000, 0.0001694200000000, 0.0003819300000000 ] - [ -0.0004964400000000, 0.0004505400000000, 0.0001725700000000 ] - [ -0.0004183600000000, 0.0043931100000000, -0.0009091300000000 ] - [ 0.0008322400000000, -0.0049627900000000, -0.0023013700000000 ] - [ -0.0000108900000000, -0.0000428900000000, 0.0001372000000000 ] - [ 0.0000321900000000, 0.0001860100000000, -0.0000877600000000 ] - [ 0.0000122500000000, -0.0001010500000000, -0.0001969800000000 ] - [ 0.0000851500000000, 0.0000762300000000, 0.0004327900000000 ] - [ -0.0003173000000000, -0.0000195700000000, 0.0003402400000000 ] - [ 0.0005209200000000, -0.0001223700000000, -0.0004899700000000 ] - [ 0.0004821800000000, -0.0000509500000000, -0.0000738900000000 ] - [ 0.0007581100000000, 0.0022232300000000, -0.0048234300000000 ] - [ -0.0035111800000000, 0.0011516400000000, -0.0006305800000000 ] - [ -0.0016224600000000, 0.0000234500000000, -0.0000638000000000 ] - [ -0.0002000800000000, 0.0003011200000000, 0.0004968100000000 ] - [ 0.0005029400000000, 0.0000684600000000, 0.0001779700000000 ] - [ 0.0014493800000000, -0.0028422400000000, 0.0017020100000000 ] - [ 0.0011045800000000, -0.0009967100000000, -0.0001771100000000 ] - [ -0.0011572200000000, -0.0009282100000000, 0.0005935900000000 ] - [ 0.0026119100000000, -0.0114580600000000, 0.0080660900000000 ] - [ -0.0005325300000000, -0.0002938900000000, 0.0000066400000000 ] - [ 0.0003918000000000, -0.0003880000000000, 0.0008075900000000 ] - [ -0.0011584900000000, -0.0028560700000000, 0.0010333200000000 ] - [ -0.0016844700000000, -0.0116821000000000, 0.0085885600000000 ] - [ 0.0008352300000000, 0.0054499100000000, 0.0285698500000000 ] - [ 0.0002656000000000, 0.0001077000000000, -0.0000232100000000 ] - [ -0.0001132000000000, 0.0011305100000000, -0.0004909000000000 ] - [ 0.0000862000000000, 0.0039034600000000, 0.0032415600000000 ] - [ 0.0004894800000000, 0.0003593000000000, 0.0014030200000000 ] - [ 0.0046926500000000, 0.2996761600000000, 0.0178608300000000 ] - [ -0.0000960900000000, 0.0000069700000000, 0.0006906200000000 ] - [ 0.0000417000000000, 0.0015955900000000, -0.0018656700000000 ] - [ -0.0000066200000000, -0.0005160200000000, 0.0003988800000000 ] - [ 0.0002847400000000, 0.0007064100000000, 0.0007139600000000 ] - [ -0.0008089100000000, 0.0017087100000000, -0.0020695400000000 ] - [ -0.0002232200000000, -0.0006907400000000, 0.0005242200000000 ] - [ 0.0024685100000000, -0.0005211600000000, -0.0015871500000000 ] - [ 0.0003277900000000, 0.0003322700000000, 0.0007963200000000 ] - [ -0.0029553500000000, 0.0003238100000000, -0.0013335800000000 ] - [ -0.0007353600000000, 0.0001632900000000, 0.0005504200000000 ] - [ 0.0000493100000000, 0.0000237800000000, 0.0003323400000000 ] - [ 0.0005415900000000, 0.0002452900000000, 0.0002117600000000 ] - [ 0.0005359900000000, -0.0000024800000000, 0.0002664100000000 ] - [ -0.0001332900000000, 0.0003750500000000, 0.0005640900000000 ] - [ 0.0017047000000000, 0.0005260100000000, -0.0001184100000000 ] - [ -0.0000236200000000, 0.0002864900000000, -0.0000195000000000 ] - [ -0.0000929900000000, 0.0000574100000000, 0.0002757200000000 ] - [ 0.0000864800000000, -0.0003272200000000, 0.0002601600000000 ] - [ -0.0000498100000000, -0.0000883400000000, 0.0002457000000000 ] - [ 0.0002650100000000, 0.0010544700000000, 0.0000818100000000 ] - [ -0.0020171500000000, -0.0188820800000000, 0.0298239200000000 ] - [ -0.0001212600000000, 0.0003958300000000, -0.0002251000000000 ] - [ -0.0002285600000000, -0.0082510100000000, -0.0034797300000000 ] - [ -0.0001559900000000, 0.0010707000000000, 0.0009102400000000 ] - [ -0.0000712900000000, 0.0000873400000000, 0.0002161800000000 ] - [ -0.0000715100000000, -0.0000218700000000, -0.0001075200000000 ] - [ -0.0001662900000000, 0.0001910900000000, 0.0000492300000000 ] - [ -0.0002614500000000, -0.0002327700000000, 0.0005345000000000 ] - [ -0.0004451300000000, 0.0004766000000000, 0.0003493200000000 ] - [ 0.0027083400000000, 0.0008908600000000, -0.0014253300000000 ] - [ -0.0001420800000000, -0.0004687500000000, -0.0004908300000000 ] - [ -0.0001042100000000, 0.0004635000000000, -0.0004357500000000 ] - [ -0.0086737000000000, -0.4205952200000000, 0.0164833200000000 ] - [ -0.0003130300000000, 0.0003180900000000, -0.0000195000000000 ] - [ 0.0005021900000000, 0.0001478900000000, 0.0013262900000000 ] - [ 0.0005785200000000, -0.0013596700000000, 0.0005116700000000 ] - [ -0.0000223700000000, -0.0004070700000000, -0.0008381000000000 ] - [ 0.0001988600000000, 0.0000471200000000, 0.0000694500000000 ] - [ 0.0000856900000000, -0.0010957400000000, -0.0008493400000000 ] - [ 0.0000453300000000, 0.0004653600000000, -0.0001983200000000 ] - [ 0.0000874700000000, 0.0002331400000000, -0.0005852500000000 ] - [ -0.0054348800000000, 0.0040090000000000, -0.0076730500000000 ] - [ 0.0013592600000000, -0.0007338500000000, 0.0020857300000000 ] - [ 0.0014306600000000, 0.0053616600000000, 0.0009998300000000 ] - [ -0.0000641000000000, 0.0005758500000000, -0.0000452400000000 ] - [ 0.0001236400000000, -0.0006972300000000, 0.0000403400000000 ] - [ 0.0003135900000000, -0.0040402700000000, -0.0037148300000000 ] - [ -0.0001469000000000, 0.0003707800000000, 0.0003864100000000 ] - [ 0.0001163100000000, 0.0001758400000000, 0.0002639700000000 ] - [ 0.0004849300000000, -0.0032668100000000, 0.0008266100000000 ] - [ -0.0029176500000000, 0.0010632600000000, -0.0008554600000000 ] - [ -0.0001782600000000, -0.0003181300000000, -0.0001971000000000 ] - [ -0.0006658000000000, -0.0009172100000000, -0.0006467400000000 ] - [ 0.0000291900000000, 0.0001593400000000, -0.0001574300000000 ] - [ 0.0035241100000000, 0.0510238700000000, -0.0718650000000000 ] - [ 0.0011767300000000, 0.0005229800000000, 0.0006737900000000 ] - [ 0.0189757600000000, 0.0322898100000000, -0.0137172300000000 ] - [ 0.0004133700000000, 0.0002858100000000, -0.0000583100000000 ] - [ -0.0010170900000000, 0.0003912500000000, -0.0005554300000000 ] - [ 0.0000284600000000, -0.0015983300000000, 0.0007588000000000 ] - [ -0.0001900000000000, 0.0010434900000000, 0.0015554800000000 ] - [ -0.0008813800000000, -0.0003419000000000, -0.0031388000000000 ] - [ -0.0008017400000000, -0.0001110600000000, 0.0009090900000000 ] - [ -0.0000574600000000, 0.0005150900000000, -0.0002449400000000 ] - [ -0.0009340900000000, -0.0001671000000000, 0.0001344900000000 ] - [ 0.0004965100000000, 0.0007175200000000, -0.0005063600000000 ] - [ -0.0003345200000000, 0.0001166800000000, 0.0000006700000000 ] - [ -0.0004754600000000, -0.0005710700000000, 0.0001617000000000 ] - [ 0.0002345300000000, 0.0008498100000000, -0.0000379200000000 ] - [ -0.0009490200000000, -0.0004306900000000, 0.0010524200000000 ] - [ 0.0000804300000000, -0.0005920500000000, -0.0000173300000000 ] - [ -0.0000862700000000, -0.0006359500000000, -0.0003594400000000 ] - [ 0.0010220600000000, 0.0003772700000000, -0.0001554300000000 ] - [ -0.0012698700000000, 0.0059191200000000, 0.0018262300000000 ] - [ -0.0000473000000000, -0.0000679500000000, 0.0000684300000000 ] - [ 0.0001315500000000, 0.0242320300000000, 0.0183649700000000 ] - [ 0.0000535400000000, 0.0000094700000000, -0.0002317400000000 ] - [ 0.0000929400000000, 0.0002640600000000, -0.0003399500000000 ] - [ -0.0003478100000000, 0.0000685900000000, -0.0012055500000000 ] - [ 0.0000041500000000, -0.0001781600000000, -0.0015318600000000 ] - [ 0.0000913600000000, -0.0006059400000000, -0.0019587400000000 ] - [ 0.0004449600000000, 0.0000309000000000, -0.0025753300000000 ] - [ 0.0001661600000000, -0.0000469500000000, 0.0003165200000000 ] - [ 0.0001304000000000, 0.0002977700000000, 0.0007617000000000 ] - [ 0.0002666400000000, 0.0088526300000000, 0.0006910300000000 ] - [ -0.0188513200000000, 0.0330831100000000, -0.0136054100000000 ] - [ -0.0007560000000000, -0.0003841500000000, -0.0003744100000000 ] - [ 0.0050955600000000, 0.0029614500000000, -0.0075134400000000 ] - [ -0.0000036000000000, 0.0000482200000000, 0.0008456500000000 ] - [ 0.0010486600000000, 0.0006006600000000, 0.0004660600000000 ] - [ -0.0002283200000000, 0.0005229300000000, -0.0011659200000000 ] - [ 0.0005485900000000, -0.0001589500000000, -0.0001463200000000 ] - [ 0.0006888700000000, -0.0001246300000000, -0.0000931200000000 ] - [ -0.0005642700000000, -0.0001216700000000, 0.0002170000000000 ] - [ 0.0000317300000000, 0.0004271700000000, -0.0005052600000000 ] - [ 0.0000924900000000, 0.0002765800000000, -0.0001927000000000 ] - [ 0.0005138500000000, -0.0009591600000000, -0.0002995700000000 ] - [ 0.0001716100000000, -0.0004196300000000, -0.0007859900000000 ]- atom: 71 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000098000000000, 0.0003730400000000, -0.0004904000000000 ] - [ 0.0001292600000000, -0.0000520700000000, -0.0000416500000000 ] - [ 0.0000776800000000, 0.0002851700000000, 0.0000968800000000 ] - [ -0.0009104600000000, -0.0040528800000000, 0.0008955200000000 ] - [ 0.0000265500000000, -0.0000948700000000, -0.0001851900000000 ] - [ -0.0000064000000000, 0.0002557800000000, -0.0004227200000000 ] - [ -0.0000595900000000, 0.0051626900000000, 0.0018081200000000 ] - [ -0.0005973800000000, -0.0005441500000000, -0.0004735300000000 ] - [ 0.0000722100000000, -0.0001681500000000, 0.0004700200000000 ] - [ 0.0004938500000000, -0.0004494100000000, -0.0010228000000000 ] - [ 0.0004098300000000, -0.0043880400000000, 0.0000583400000000 ] - [ -0.0008278300000000, 0.0049503900000000, 0.0024131000000000 ] - [ 0.0000099500000000, 0.0000426300000000, -0.0002627800000000 ] - [ -0.0000332900000000, -0.0001849300000000, 0.0000867200000000 ] - [ -0.0000121900000000, 0.0003671600000000, 0.0001954200000000 ] - [ -0.0000843100000000, -0.0000758200000000, 0.0004203900000000 ] - [ -0.0007235100000000, -0.0000994300000000, -0.0002355000000000 ] - [ 0.0005203700000000, -0.0000135200000000, 0.0003928300000000 ] - [ 0.0005586800000000, -0.0000684000000000, 0.0001771400000000 ] - [ 0.0002843400000000, -0.0020833000000000, 0.0047124100000000 ] - [ 0.0024576000000000, -0.0010133300000000, 0.0007268500000000 ] - [ 0.0005787000000000, -0.0001444100000000, -0.0000393800000000 ] - [ -0.0008409100000000, -0.0001783100000000, -0.0005974300000000 ] - [ 0.0005381300000000, 0.0000519900000000, -0.0000734800000000 ] - [ -0.0014466000000000, 0.0028364500000000, -0.0017001700000000 ] - [ -0.0010952800000000, 0.0009922200000000, 0.0001775700000000 ] - [ 0.0011477600000000, 0.0009242800000000, 0.0011176200000000 ] - [ -0.0025728700000000, 0.0114237600000000, -0.0097156800000000 ] - [ 0.0005312400000000, 0.0002941800000000, -0.0000060400000000 ] - [ -0.0003916900000000, 0.0003874600000000, 0.0009051200000000 ] - [ 0.0011572300000000, 0.0028511400000000, -0.0027435400000000 ] - [ 0.0016520700000000, 0.0116479000000000, -0.0085301400000000 ] - [ -0.0007611500000000, -0.0067725300000000, -0.0283507900000000 ] - [ 0.0004995600000000, -0.0002565000000000, 0.0005321500000000 ] - [ 0.0001877100000000, 0.0001470400000000, 0.0004066600000000 ] - [ -0.0000116600000000, -0.0025348700000000, -0.0031638400000000 ] - [ 0.0002769900000000, -0.0005099600000000, -0.0019115800000000 ] - [ -0.0035537200000000, -0.2783754900000000, -0.0169329400000000 ] - [ -0.0006706800000000, -0.0001640900000000, -0.0001765600000000 ] - [ -0.0001166900000000, -0.0003152400000000, 0.0019477600000000 ] - [ 0.0000802800000000, -0.0007563800000000, -0.0004764800000000 ] - [ -0.0003593600000000, 0.0005666600000000, -0.0007922500000000 ] - [ 0.0000439000000000, -0.0015480000000000, 0.0025778300000000 ] - [ 0.0001501800000000, -0.0005950800000000, -0.0004402400000000 ] - [ -0.0025548000000000, -0.0007948600000000, 0.0014956900000000 ] - [ 0.0004369200000000, -0.0001806700000000, -0.0002818100000000 ] - [ 0.0022002100000000, -0.0005131800000000, 0.0008055600000000 ] - [ -0.0000317000000000, -0.0000132300000000, -0.0010578300000000 ] - [ 0.0001509300000000, 0.0002492500000000, -0.0002498900000000 ] - [ -0.0003372100000000, -0.0005191300000000, -0.0001294100000000 ] - [ -0.0004505600000000, -0.0001693900000000, 0.0002150200000000 ] - [ 0.0002187700000000, -0.0002005200000000, -0.0000819000000000 ] - [ -0.0016082000000000, -0.0003477400000000, -0.0003608800000000 ] - [ -0.0000610800000000, -0.0001132300000000, -0.0004614000000000 ] - [ -0.0001069300000000, -0.0003286500000000, -0.0001926700000000 ] - [ 0.0001131200000000, 0.0000537700000000, -0.0003405700000000 ] - [ -0.0000352000000000, -0.0000831900000000, 0.0002352800000000 ] - [ -0.0000719400000000, -0.0007743400000000, -0.0001606000000000 ] - [ 0.0017529000000000, 0.0177194800000000, -0.0289772200000000 ] - [ -0.0000788700000000, -0.0001219900000000, 0.0003056400000000 ] - [ 0.0001452100000000, 0.0081700200000000, 0.0030639400000000 ] - [ -0.0000438500000000, -0.0007974000000000, -0.0009939500000000 ] - [ -0.0000138000000000, 0.0000846900000000, 0.0002648300000000 ] - [ 0.0001561800000000, -0.0001498200000000, -0.0003734700000000 ] - [ -0.0006924900000000, 0.0002902500000000, -0.0001510900000000 ] - [ 0.0002624000000000, -0.0000249900000000, 0.0000085000000000 ] - [ -0.0005118900000000, 0.0010166000000000, 0.0004459900000000 ] - [ -0.0026685600000000, -0.0009608200000000, 0.0009362100000000 ] - [ 0.0001169300000000, -0.0003486000000000, -0.0001122600000000 ] - [ 0.0001303200000000, 0.0003552000000000, -0.0001681200000000 ] - [ 0.0085202700000000, 0.4002051600000000, -0.0192877700000000 ] - [ -0.0002514600000000, -0.0003763000000000, 0.0004708200000000 ] - [ 0.0003596200000000, -0.0006309500000000, -0.0014251200000000 ] - [ -0.0007348300000000, 0.0004029100000000, -0.0002219900000000 ] - [ -0.0001265300000000, -0.0005568700000000, 0.0001223800000000 ] - [ -0.0001949500000000, 0.0002089300000000, 0.0004707800000000 ] - [ 0.0000862500000000, 0.0001251300000000, 0.0011355100000000 ] - [ -0.0002176200000000, 0.0005054300000000, 0.0004845100000000 ] - [ -0.0006519900000000, -0.0001712200000000, 0.0001311800000000 ] - [ 0.0054491000000000, -0.0037420400000000, 0.0071372800000000 ] - [ -0.0009662700000000, 0.0000615400000000, -0.0017153300000000 ] - [ -0.0020384400000000, -0.0053969000000000, -0.0014423700000000 ] - [ 0.0000463900000000, -0.0006465200000000, 0.0005232100000000 ] - [ 0.0000495200000000, -0.0002745200000000, -0.0003270400000000 ] - [ 0.0006473800000000, 0.0055353000000000, 0.0044890600000000 ] - [ -0.0002423800000000, 0.0002958900000000, -0.0000213500000000 ] - [ -0.0000987500000000, -0.0009835700000000, 0.0003292800000000 ] - [ 0.0004779300000000, 0.0017436800000000, 0.0000376300000000 ] - [ 0.0029079500000000, -0.0011327000000000, 0.0013184600000000 ] - [ -0.0002102400000000, -0.0003475100000000, 0.0005579500000000 ] - [ -0.0002957300000000, -0.0005729600000000, -0.0001462600000000 ] - [ -0.0000458500000000, -0.0000878800000000, -0.0003192400000000 ] - [ -0.0034191600000000, -0.0523005500000000, 0.0716912900000000 ] - [ -0.0003220100000000, -0.0000342900000000, -0.0005669600000000 ] - [ -0.0193901200000000, -0.0322235400000000, 0.0136312100000000 ] - [ -0.0004355700000000, 0.0005303300000000, -0.0005417100000000 ] - [ 0.0010339800000000, -0.0003194600000000, 0.0000785300000000 ] - [ -0.0009873900000000, 0.0001053400000000, 0.0000331300000000 ] - [ 0.0002110600000000, -0.0002270700000000, -0.0009506000000000 ] - [ 0.0008748900000000, 0.0000593600000000, 0.0025704900000000 ] - [ 0.0006544000000000, 0.0010710700000000, -0.0016199300000000 ] - [ -0.0000904900000000, 0.0004519100000000, 0.0009558900000000 ] - [ -0.0000404200000000, 0.0016711100000000, -0.0009249700000000 ] - [ 0.0004649800000000, 0.0007725800000000, -0.0002863700000000 ] - [ 0.0003304000000000, -0.0003724000000000, 0.0005394200000000 ] - [ 0.0002991400000000, 0.0015377800000000, -0.0004496800000000 ] - [ 0.0006313600000000, -0.0003578500000000, -0.0000719500000000 ] - [ 0.0007990000000000, -0.0005279600000000, -0.0003322600000000 ] - [ 0.0000683000000000, -0.0003746600000000, 0.0007276500000000 ] - [ -0.0000884900000000, -0.0003321700000000, 0.0000731400000000 ] - [ -0.0010047200000000, -0.0003050900000000, 0.0006325300000000 ] - [ 0.0013059900000000, -0.0056385400000000, -0.0012742400000000 ] - [ 0.0000444700000000, -0.0001889600000000, -0.0006094600000000 ] - [ -0.0005092300000000, -0.0245962800000000, -0.0183777700000000 ] - [ -0.0000699200000000, -0.0000802900000000, -0.0002450600000000 ] - [ 0.0000803200000000, 0.0007060900000000, 0.0000508900000000 ] - [ -0.0005136000000000, 0.0004136900000000, 0.0013064400000000 ] - [ 0.0005605400000000, 0.0001174000000000, 0.0010766300000000 ] - [ 0.0000557700000000, 0.0015555300000000, 0.0012499500000000 ] - [ -0.0004640100000000, 0.0007624400000000, 0.0031512800000000 ] - [ 0.0003994500000000, -0.0000141900000000, 0.0001369700000000 ] - [ 0.0000179200000000, 0.0006682300000000, -0.0000465800000000 ] - [ -0.0002839000000000, -0.0088485100000000, -0.0002984700000000 ] - [ 0.0189912200000000, -0.0324458900000000, 0.0129729200000000 ] - [ -0.0001058300000000, -0.0000982900000000, 0.0002689100000000 ] - [ -0.0051338200000000, -0.0037707100000000, 0.0081242800000000 ] - [ -0.0005604200000000, 0.0000131100000000, -0.0003912300000000 ] - [ -0.0006600200000000, 0.0000727800000000, -0.0008231500000000 ] - [ -0.0001620300000000, 0.0001459200000000, 0.0008007100000000 ] - [ 0.0003108700000000, -0.0003214700000000, 0.0002483000000000 ] - [ -0.0001192300000000, 0.0001847100000000, 0.0005442100000000 ] - [ 0.0005941200000000, -0.0006885400000000, -0.0008165700000000 ] - [ -0.0000354700000000, -0.0001665900000000, -0.0000382100000000 ] - [ 0.0002979000000000, 0.0003903600000000, 0.0005533200000000 ] - [ 0.0004474600000000, -0.0005321700000000, -0.0004916900000000 ] - [ 0.0002178000000000, -0.0002465800000000, 0.0004202900000000 ]- atom: 71 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0002135300000000, 0.0003503700000000, -0.0010939600000000 ] - [ 0.0002692400000000, 0.0000116100000000, -0.0002970800000000 ] - [ -0.0002072400000000, -0.0000622000000000, 0.0004827900000000 ] - [ 0.0029725900000000, -0.0009707300000000, -0.0002226900000000 ] - [ -0.0000783600000000, -0.0001777100000000, -0.0004480500000000 ] - [ -0.0001928000000000, 0.0002256700000000, -0.0010270200000000 ] - [ -0.0034201300000000, 0.0007184400000000, 0.0025986300000000 ] - [ -0.0008217200000000, -0.0003126000000000, -0.0013005900000000 ] - [ 0.0003759500000000, -0.0000032500000000, 0.0004770800000000 ] - [ 0.0006773600000000, -0.0002907200000000, -0.0017997300000000 ] - [ 0.0002875800000000, -0.0009659900000000, 0.0030636600000000 ] - [ 0.0031890100000000, 0.0010397000000000, 0.0028020500000000 ] - [ 0.0001170500000000, -0.0000433500000000, -0.0005164000000000 ] - [ -0.0003124400000000, -0.0000172200000000, 0.0001951300000000 ] - [ 0.0002014600000000, 0.0000813600000000, 0.0005277100000000 ] - [ -0.0002725400000000, 0.0000229000000000, 0.0001799000000000 ] - [ -0.0007329200000000, -0.0000940900000000, -0.0007668700000000 ] - [ 0.0005357900000000, -0.0011019100000000, -0.0017507200000000 ] - [ 0.0005669100000000, -0.0000491200000000, 0.0004643600000000 ] - [ 0.0005360900000000, -0.0000293700000000, -0.0028415400000000 ] - [ 0.0007590500000000, -0.0000949700000000, 0.0015688200000000 ] - [ 0.0009083700000000, -0.0000722200000000, 0.0002396600000000 ] - [ -0.0012044500000000, 0.0001356400000000, -0.0006648100000000 ] - [ 0.0005230600000000, 0.0000728400000000, -0.0003256100000000 ] - [ -0.0020403400000000, 0.0017466100000000, -0.0042891000000000 ] - [ -0.0010619400000000, 0.0001359300000000, 0.0004872300000000 ] - [ 0.0011972800000000, 0.0000737600000000, 0.0013083000000000 ] - [ -0.0031385100000000, 0.0023447400000000, -0.0030715600000000 ] - [ 0.0008946000000000, -0.0000327700000000, -0.0007538500000000 ] - [ -0.0009135000000000, -0.0000318400000000, 0.0000782900000000 ] - [ 0.0017813900000000, 0.0018347100000000, -0.0051188600000000 ] - [ 0.0028939200000000, 0.0026452000000000, -0.0024638000000000 ] - [ -0.0000678500000000, -0.0050537000000000, -0.0251394000000000 ] - [ 0.0004280600000000, -0.0001564500000000, 0.0011471100000000 ] - [ 0.0001553700000000, 0.0004914400000000, 0.0014115400000000 ] - [ -0.0003073800000000, 0.0066366400000000, -0.0057317800000000 ] - [ 0.0003006400000000, -0.0007377000000000, -0.0044657300000000 ] - [ 0.0002193000000000, 0.0203502800000000, 0.0747280000000000 ] - [ 0.0015193900000000, -0.0002421300000000, -0.0017364200000000 ] - [ 0.0030934300000000, 0.0006932500000000, 0.0015712900000000 ] - [ 0.0000573500000000, -0.0007894800000000, -0.0012826700000000 ] - [ -0.0005945900000000, 0.0007465700000000, -0.0024363000000000 ] - [ -0.0035422400000000, -0.0000716200000000, 0.0015470300000000 ] - [ -0.0018529200000000, -0.0010733900000000, -0.0020266400000000 ] - [ 0.0017712200000000, -0.0010930100000000, 0.0048848600000000 ] - [ 0.0004142500000000, -0.0000394200000000, -0.0006551400000000 ] - [ -0.0020713800000000, -0.0000282300000000, 0.0043997200000000 ] - [ 0.0001947600000000, 0.0002998700000000, -0.0024794200000000 ] - [ 0.0002894300000000, 0.0009961300000000, -0.0010509600000000 ] - [ -0.0005170300000000, 0.0007818200000000, 0.0012210100000000 ] - [ -0.0006144700000000, -0.0001760900000000, 0.0001806100000000 ] - [ 0.0003731200000000, 0.0000517700000000, 0.0000441600000000 ] - [ -0.0006869500000000, -0.0000192600000000, 0.0000078100000000 ] - [ -0.0000484300000000, 0.0000467700000000, -0.0008184400000000 ] - [ -0.0001164600000000, -0.0005120800000000, -0.0004600700000000 ] - [ 0.0000571000000000, 0.0006614000000000, -0.0011044700000000 ] - [ -0.0000340700000000, -0.0000568600000000, 0.0002221000000000 ] - [ 0.0004071300000000, 0.0013540200000000, 0.0018039200000000 ] - [ 0.0002488000000000, 0.0220397000000000, 0.0189959000000000 ] - [ -0.0000805200000000, -0.0002551600000000, 0.0005740300000000 ] - [ -0.0001278300000000, -0.0023258400000000, 0.0017803400000000 ] - [ 0.0000266400000000, -0.0017566000000000, -0.0024786800000000 ] - [ -0.0000405800000000, 0.0001196600000000, 0.0002363300000000 ] - [ 0.0001398100000000, -0.0001384000000000, -0.0005439500000000 ] - [ -0.0008358700000000, 0.0003670400000000, -0.0002673300000000 ] - [ 0.0002939300000000, 0.0000674000000000, -0.0003198700000000 ] - [ 0.0005249700000000, 0.0011207400000000, 0.0011452600000000 ] - [ -0.0015864400000000, -0.0002624500000000, 0.0000359100000000 ] - [ 0.0002448100000000, -0.0002219300000000, 0.0002712100000000 ] - [ 0.0000989400000000, 0.0002264300000000, 0.0004201100000000 ] - [ 0.0003838300000000, 0.0202901000000000, -0.1286126000000000 ] - [ -0.0009505400000000, -0.0000052300000000, 0.0004089000000000 ] - [ 0.0026512200000000, -0.0008093800000000, 0.0001200700000000 ] - [ 0.0005890800000000, -0.0008499100000000, -0.0019651400000000 ] - [ 0.0001665300000000, -0.0007789800000000, 0.0013046300000000 ] - [ -0.0003021600000000, 0.0003264100000000, 0.0008144700000000 ] - [ 0.0000496300000000, 0.0005075900000000, 0.0023953500000000 ] - [ -0.0002306000000000, 0.0001433000000000, 0.0012003900000000 ] - [ -0.0010764900000000, -0.0004198300000000, 0.0011968100000000 ] - [ 0.0045907200000000, -0.0021660200000000, 0.0063685800000000 ] - [ 0.0010760200000000, -0.0001870900000000, -0.0014977000000000 ] - [ 0.0023130800000000, -0.0009810500000000, -0.0028503100000000 ] - [ -0.0000217600000000, -0.0003365400000000, 0.0018814600000000 ] - [ 0.0000629700000000, -0.0003007600000000, -0.0005439700000000 ] - [ 0.0004619800000000, 0.0029268800000000, 0.0048774900000000 ] - [ -0.0002204200000000, 0.0002765700000000, -0.0005278000000000 ] - [ 0.0014160100000000, -0.0007149000000000, 0.0012178100000000 ] - [ 0.0007492100000000, -0.0033884300000000, 0.0077190700000000 ] - [ 0.0016421100000000, -0.0003012200000000, 0.0004007600000000 ] - [ -0.0002040800000000, -0.0003941400000000, 0.0008625800000000 ] - [ -0.0002119200000000, -0.0005487700000000, 0.0004364900000000 ] - [ -0.0000487800000000, 0.0000624700000000, -0.0003922200000000 ] - [ -0.0028820200000000, -0.0485403400000000, 0.0496471800000000 ] - [ 0.0007291900000000, 0.0000126000000000, -0.0008927200000000 ] - [ -0.0106441600000000, -0.0206715500000000, -0.0059753800000000 ] - [ -0.0004160900000000, 0.0006218300000000, -0.0009397100000000 ] - [ 0.0013694300000000, -0.0000733000000000, 0.0005544400000000 ] - [ -0.0015868800000000, -0.0006001300000000, 0.0002873700000000 ] - [ -0.0021779700000000, -0.0004093100000000, 0.0005216300000000 ] - [ -0.0005606200000000, -0.0011626600000000, 0.0010827000000000 ] - [ -0.0009307900000000, -0.0000979000000000, -0.0023333600000000 ] - [ -0.0001920400000000, 0.0000831500000000, 0.0021596700000000 ] - [ -0.0019241200000000, 0.0013481800000000, -0.0019504600000000 ] - [ 0.0004793000000000, 0.0006892300000000, -0.0000129100000000 ] - [ 0.0006931900000000, -0.0005749400000000, 0.0016102600000000 ] - [ 0.0009851400000000, 0.0001801900000000, -0.0008179300000000 ] - [ -0.0011833500000000, 0.0001047100000000, 0.0010780200000000 ] - [ 0.0006034200000000, -0.0008028800000000, -0.0026619700000000 ] - [ 0.0000714300000000, -0.0002919100000000, 0.0012965500000000 ] - [ -0.0008234900000000, -0.0007010200000000, 0.0008980400000000 ] - [ -0.0011958800000000, -0.0001662600000000, 0.0010664000000000 ] - [ -0.0022599200000000, -0.0012485900000000, -0.0022858700000000 ] - [ -0.0010748700000000, 0.0002061100000000, -0.0002557300000000 ] - [ 0.0003963900000000, 0.0288043300000000, 0.0019312800000000 ] - [ -0.0000180700000000, -0.0000004600000000, 0.0000172800000000 ] - [ 0.0000947800000000, 0.0006808500000000, 0.0002542700000000 ] - [ -0.0008460600000000, 0.0007655100000000, 0.0024311400000000 ] - [ 0.0008784200000000, 0.0004735500000000, 0.0021511300000000 ] - [ 0.0000564300000000, 0.0001228900000000, 0.0038051300000000 ] - [ 0.0008684600000000, -0.0006544400000000, 0.0014546100000000 ] - [ 0.0006312400000000, 0.0001090500000000, 0.0000136800000000 ] - [ 0.0000567300000000, 0.0006714300000000, -0.0007060400000000 ] - [ 0.0001211400000000, 0.0011226100000000, 0.0002690300000000 ] - [ 0.0090970800000000, -0.0189719000000000, -0.0073207700000000 ] - [ -0.0000481900000000, -0.0001042100000000, 0.0002492300000000 ] - [ -0.0045872400000000, -0.0026330800000000, 0.0069933900000000 ] - [ 0.0007073500000000, 0.0002799800000000, 0.0003356800000000 ] - [ -0.0005039200000000, 0.0006659300000000, -0.0027943000000000 ] - [ -0.0001814000000000, 0.0001482100000000, 0.0025011200000000 ] - [ 0.0004073900000000, -0.0004895100000000, 0.0008197100000000 ] - [ -0.0001401200000000, 0.0001957300000000, 0.0005395000000000 ] - [ -0.0005285200000000, -0.0004026800000000, -0.0011453800000000 ] - [ 0.0006895700000000, 0.0003067900000000, -0.0000934100000000 ] - [ -0.0000718400000000, 0.0005286300000000, 0.0015751000000000 ] - [ 0.0004147300000000, -0.0008285300000000, -0.0008057800000000 ] - [ 0.0003043400000000, -0.0001774700000000, 0.0012806800000000 ]- atom: 71 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0002151100000000, -0.0000847300000000, 0.0010926700000000 ] - [ -0.0002685900000000, -0.0000118000000000, 0.0002978800000000 ] - [ 0.0002068500000000, 0.0000624800000000, -0.0006073800000000 ] - [ -0.0028820600000000, 0.0009606000000000, 0.0001076200000000 ] - [ 0.0000791000000000, -0.0000875100000000, 0.0004472200000000 ] - [ 0.0001951600000000, -0.0002250200000000, 0.0011518800000000 ] - [ 0.0034158800000000, -0.0009665700000000, -0.0025880100000000 ] - [ 0.0008190800000000, 0.0003108700000000, 0.0013000200000000 ] - [ -0.0003754800000000, 0.0000025700000000, 0.0003735400000000 ] - [ -0.0006752200000000, 0.0002892700000000, 0.0009469600000000 ] - [ -0.0005008400000000, 0.0009452300000000, -0.0040792500000000 ] - [ -0.0031866000000000, -0.0010212500000000, -0.0026615900000000 ] - [ -0.0001183800000000, 0.0000431100000000, 0.0003893000000000 ] - [ 0.0003123000000000, 0.0000164500000000, -0.0001967300000000 ] - [ -0.0002020300000000, 0.0001845900000000, -0.0005261000000000 ] - [ 0.0002723000000000, -0.0000230700000000, 0.0006726900000000 ] - [ -0.0003103700000000, -0.0000237000000000, 0.0008715800000000 ] - [ 0.0005057700000000, 0.0009926600000000, 0.0016474200000000 ] - [ 0.0004742100000000, -0.0000683400000000, -0.0003582100000000 ] - [ 0.0005049100000000, 0.0001434100000000, 0.0027477000000000 ] - [ -0.0017839800000000, 0.0002112100000000, -0.0014602400000000 ] - [ -0.0019454000000000, -0.0000465400000000, -0.0003429100000000 ] - [ 0.0001640400000000, -0.0000198900000000, 0.0005559900000000 ] - [ 0.0005183500000000, 0.0000455500000000, 0.0004305300000000 ] - [ 0.0020337600000000, -0.0017381200000000, 0.0042858000000000 ] - [ 0.0010554800000000, -0.0001315600000000, -0.0004905600000000 ] - [ -0.0011919000000000, -0.0000692700000000, 0.0004004700000000 ] - [ 0.0031204200000000, -0.0022890400000000, 0.0012885400000000 ] - [ -0.0008920000000000, 0.0000334600000000, 0.0007556100000000 ] - [ 0.0009105900000000, 0.0000325800000000, 0.0016353100000000 ] - [ -0.0017747000000000, -0.0018260200000000, 0.0034033600000000 ] - [ -0.0028812300000000, -0.0025858200000000, 0.0023934400000000 ] - [ 0.0001413600000000, 0.0037458100000000, 0.0251137500000000 ] - [ 0.0003369300000000, 0.0000065800000000, -0.0006318200000000 ] - [ -0.0000798300000000, 0.0007809200000000, -0.0014895400000000 ] - [ 0.0003834200000000, -0.0054369200000000, 0.0058168200000000 ] - [ 0.0004645100000000, 0.0005890900000000, 0.0039532000000000 ] - [ 0.0005056000000000, -0.0219601300000000, -0.0755757500000000 ] - [ -0.0022924000000000, 0.0000959800000000, 0.0022455600000000 ] - [ -0.0031644000000000, 0.0005793300000000, -0.0014787000000000 ] - [ 0.0000168100000000, -0.0004851000000000, 0.0012015100000000 ] - [ 0.0005145800000000, 0.0005273600000000, 0.0023542500000000 ] - [ 0.0027746000000000, 0.0002166400000000, -0.0010218800000000 ] - [ 0.0017837000000000, -0.0001961600000000, 0.0021047700000000 ] - [ -0.0018451700000000, -0.0001826800000000, -0.0049564100000000 ] - [ 0.0003506800000000, 0.0001870000000000, 0.0011638700000000 ] - [ 0.0013057300000000, -0.0001281200000000, -0.0049036000000000 ] - [ -0.0009557700000000, -0.0001509500000000, 0.0019661800000000 ] - [ -0.0000900400000000, -0.0007246500000000, 0.0011324100000000 ] - [ 0.0007154800000000, -0.0010527500000000, -0.0011366900000000 ] - [ 0.0006972400000000, 0.0000051100000000, 0.0002992400000000 ] - [ -0.0002890900000000, 0.0001169700000000, 0.0004329900000000 ] - [ 0.0007630200000000, 0.0001878700000000, -0.0004884000000000 ] - [ -0.0000364600000000, 0.0001229100000000, 0.0003393500000000 ] - [ -0.0000835700000000, 0.0002388800000000, 0.0005405700000000 ] - [ 0.0001433400000000, -0.0009329100000000, 0.0010221900000000 ] - [ -0.0000509800000000, -0.0001138200000000, 0.0002571900000000 ] - [ -0.0002095300000000, -0.0010819500000000, -0.0018812300000000 ] - [ -0.0005898400000000, -0.0236651400000000, -0.0173254100000000 ] - [ -0.0001193900000000, 0.0005257100000000, -0.0004904500000000 ] - [ 0.0000436800000000, 0.0021844300000000, -0.0022315600000000 ] - [ -0.0002265700000000, 0.0020280500000000, 0.0023991100000000 ] - [ -0.0000443500000000, 0.0000511400000000, 0.0002437400000000 ] - [ -0.0000539900000000, -0.0000324900000000, 0.0000641600000000 ] - [ -0.0000239700000000, 0.0001132200000000, 0.0001640800000000 ] - [ -0.0002855300000000, -0.0003205000000000, 0.0008565800000000 ] - [ -0.0014900700000000, 0.0003755100000000, -0.0003522700000000 ] - [ 0.0015896000000000, 0.0001903900000000, -0.0005009500000000 ] - [ -0.0002713600000000, -0.0005969300000000, -0.0008743800000000 ] - [ -0.0000685000000000, 0.0005934000000000, -0.0010248200000000 ] - [ 0.0001258700000000, -0.0155503600000000, 0.1269360300000000 ] - [ 0.0003904300000000, -0.0000626000000000, 0.0000508900000000 ] - [ -0.0017897900000000, 0.0003270800000000, -0.0002280400000000 ] - [ -0.0007576000000000, -0.0001118900000000, 0.0022552200000000 ] - [ -0.0003159600000000, -0.0001856200000000, -0.0020208400000000 ] - [ 0.0003079600000000, -0.0000725000000000, -0.0002759500000000 ] - [ 0.0001228800000000, -0.0014735400000000, -0.0021032600000000 ] - [ 0.0000560000000000, 0.0008224700000000, -0.0009079000000000 ] - [ 0.0005092000000000, 0.0004832200000000, -0.0016516300000000 ] - [ -0.0045591500000000, 0.0024116500000000, -0.0068777700000000 ] - [ -0.0006901800000000, -0.0004784000000000, 0.0018445900000000 ] - [ -0.0028754400000000, 0.0008968300000000, 0.0023909300000000 ] - [ 0.0000043100000000, 0.0002668000000000, -0.0014059900000000 ] - [ 0.0001101200000000, -0.0006648300000000, 0.0002511000000000 ] - [ 0.0004986500000000, -0.0014106200000000, -0.0040732800000000 ] - [ -0.0001680400000000, 0.0003894300000000, 0.0008836300000000 ] - [ -0.0013912600000000, -0.0001083700000000, -0.0006118800000000 ] - [ 0.0002059700000000, 0.0019142000000000, -0.0070240400000000 ] - [ -0.0016092000000000, 0.0002286900000000, 0.0000832400000000 ] - [ -0.0001836300000000, -0.0002720700000000, -0.0005025200000000 ] - [ -0.0007465000000000, -0.0009484200000000, -0.0012296500000000 ] - [ 0.0000319200000000, 0.0000051800000000, -0.0000820500000000 ] - [ 0.0029762700000000, 0.0467298300000000, -0.0498426300000000 ] - [ 0.0001292700000000, 0.0004674800000000, 0.0009937300000000 ] - [ 0.0098193100000000, 0.0201011500000000, 0.0062639700000000 ] - [ 0.0003860500000000, 0.0001978000000000, 0.0003355800000000 ] - [ -0.0013467800000000, 0.0001399200000000, -0.0010290000000000 ] - [ 0.0006237100000000, -0.0008951900000000, 0.0005034000000000 ] - [ 0.0022029500000000, 0.0012255000000000, 0.0000764200000000 ] - [ 0.0005782600000000, 0.0009244400000000, -0.0015994500000000 ] - [ 0.0007851900000000, 0.0010614500000000, 0.0016056800000000 ] - [ 0.0000458500000000, 0.0008809200000000, -0.0014401700000000 ] - [ 0.0009623000000000, 0.0001539500000000, 0.0011592000000000 ] - [ 0.0004814200000000, 0.0008078900000000, -0.0007803100000000 ] - [ -0.0006969100000000, 0.0003201400000000, -0.0010723200000000 ] - [ -0.0011557000000000, 0.0007875300000000, 0.0005227600000000 ] - [ 0.0020455800000000, 0.0003690600000000, -0.0011768400000000 ] - [ -0.0007495800000000, -0.0001615100000000, 0.0033749600000000 ] - [ 0.0000769200000000, -0.0006712000000000, -0.0005771000000000 ] - [ 0.0006542300000000, -0.0002650300000000, -0.0011886400000000 ] - [ 0.0012078500000000, 0.0002334300000000, -0.0005902400000000 ] - [ 0.0022507500000000, 0.0014791600000000, 0.0028185800000000 ] - [ 0.0010678800000000, -0.0004602200000000, -0.0002845000000000 ] - [ -0.0007726200000000, -0.0290981600000000, -0.0021913900000000 ] - [ 0.0000012000000000, -0.0000677300000000, -0.0004930700000000 ] - [ 0.0000784200000000, 0.0002866100000000, -0.0005443600000000 ] - [ -0.0000115500000000, -0.0002859400000000, -0.0023270700000000 ] - [ -0.0003168600000000, -0.0005385600000000, -0.0026045900000000 ] - [ 0.0000906800000000, 0.0008565600000000, -0.0045299600000000 ] - [ -0.0009066300000000, 0.0014902900000000, -0.0008298600000000 ] - [ -0.0000658900000000, -0.0001725500000000, 0.0004402700000000 ] - [ 0.0000908300000000, 0.0002934500000000, 0.0014214500000000 ] - [ -0.0001411700000000, -0.0011076400000000, 0.0002077100000000 ] - [ -0.0085484000000000, 0.0189341500000000, 0.0070431900000000 ] - [ -0.0008081500000000, -0.0003746100000000, -0.0003486400000000 ] - [ 0.0045340900000000, 0.0018068900000000, -0.0063589100000000 ] - [ -0.0012706800000000, -0.0002159000000000, 0.0001160900000000 ] - [ 0.0008898300000000, 0.0000010900000000, 0.0024314000000000 ] - [ -0.0002074100000000, 0.0005158400000000, -0.0028579800000000 ] - [ 0.0004490500000000, 0.0000101100000000, -0.0007177100000000 ] - [ 0.0007024300000000, -0.0001308400000000, -0.0000810500000000 ] - [ 0.0005553900000000, -0.0004170600000000, 0.0005403700000000 ] - [ -0.0006987800000000, -0.0000564000000000, -0.0004414800000000 ] - [ 0.0004624800000000, 0.0001373100000000, -0.0012161200000000 ] - [ 0.0005460500000000, -0.0006685000000000, 0.0000120700000000 ] - [ 0.0000825000000000, -0.0004880800000000, -0.0016364800000000 ]- atom: 72 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0012221800000000, -0.0018168400000000, -0.0016957900000000 ] - [ -0.0003017300000000, -0.0000827500000000, 0.0000968200000000 ] - [ 0.0006632100000000, 0.0000612900000000, -0.0009080600000000 ] - [ -0.0004258900000000, 0.0017588200000000, 0.0028154800000000 ] - [ -0.0013421300000000, -0.0000508900000000, 0.0009548600000000 ] - [ -0.0013461700000000, -0.0000113800000000, -0.0000231600000000 ] - [ 0.0003242800000000, -0.0001032700000000, 0.0002392400000000 ] - [ 0.0000089200000000, 0.0000959900000000, -0.0007431700000000 ] - [ 0.0050889600000000, -0.0012734400000000, 0.0004901500000000 ] - [ -0.0006928100000000, 0.0001554700000000, -0.0006781100000000 ] - [ -0.0013418500000000, -0.0000616000000000, -0.0000401300000000 ] - [ -0.0006466500000000, 0.0000585300000000, 0.0000953400000000 ] - [ 0.0049351300000000, 0.0004897000000000, 0.0034308400000000 ] - [ -0.0016503500000000, -0.0003439000000000, -0.0005069300000000 ] - [ -0.0004570900000000, 0.0001121800000000, -0.0006591400000000 ] - [ 0.0008593300000000, -0.0001508800000000, 0.0000944800000000 ] - [ 0.0008631400000000, 0.0002800200000000, -0.0035139100000000 ] - [ -0.0046813900000000, 0.0005713300000000, -0.0007164300000000 ] - [ 0.0002324800000000, -0.0007439600000000, -0.0027256400000000 ] - [ 0.0003146600000000, 0.0000591300000000, -0.0001111200000000 ] - [ 0.0008661500000000, 0.0000996700000000, 0.0006546400000000 ] - [ -0.0009738100000000, -0.0000580900000000, -0.0002943400000000 ] - [ -0.0022942100000000, 0.0000566800000000, 0.0001877400000000 ] - [ 0.0010860600000000, -0.0000039600000000, 0.0011755800000000 ] - [ 0.0001289500000000, -0.0003648500000000, -0.0022505800000000 ] - [ -0.0092183300000000, 0.0023584200000000, -0.0011102200000000 ] - [ 0.0195840500000000, -0.0001289100000000, 0.0005444400000000 ] - [ -0.0048089800000000, 0.0002450600000000, -0.0000227900000000 ] - [ -0.0006844100000000, 0.0004538300000000, 0.0004389500000000 ] - [ 0.0021581800000000, 0.0008998100000000, 0.0000179200000000 ] - [ -0.0017920800000000, -0.0007267400000000, -0.0015893700000000 ] - [ -0.0013575000000000, -0.0089361000000000, 0.0113696200000000 ] - [ -0.0007225100000000, -0.0007182200000000, -0.0000754500000000 ] - [ 0.0010002000000000, 0.0001435100000000, -0.0014343300000000 ] - [ 0.0004758800000000, 0.0003999100000000, -0.0034007300000000 ] - [ -0.0049474100000000, 0.0015473500000000, -0.0009137600000000 ] - [ -0.0023247900000000, 0.0004314100000000, -0.0035438300000000 ] - [ -0.0010271000000000, 0.0001047700000000, 0.0009722300000000 ] - [ 0.1973008100000000, -0.0603140200000000, 0.0833843200000000 ] - [ -0.0013723000000000, 0.0005601300000000, -0.0006522500000000 ] - [ 0.0024307900000000, 0.0002986900000000, 0.0067679600000000 ] - [ 0.0026445500000000, 0.0010952900000000, -0.0044507000000000 ] - [ 0.0009692100000000, -0.0000457600000000, -0.0006236400000000 ] - [ -0.0057338300000000, -0.0012317800000000, 0.0010171200000000 ] - [ 0.0107257300000000, -0.0030649600000000, 0.0006903300000000 ] - [ -0.0044465400000000, -0.0010638100000000, 0.0049984200000000 ] - [ -0.0045049300000000, -0.0004191500000000, -0.0013283200000000 ] - [ -0.0025504100000000, -0.0000150600000000, 0.0005503100000000 ] - [ 0.0026094200000000, 0.0068203200000000, -0.0073373800000000 ] - [ 0.0000719000000000, -0.0006836800000000, -0.0004735900000000 ] - [ 0.0002498500000000, -0.0000662500000000, 0.0000493600000000 ] - [ 0.0016590700000000, 0.0007721400000000, 0.0005700300000000 ] - [ -0.0004894800000000, 0.0001050600000000, -0.0002981200000000 ] - [ -0.0003345500000000, 0.0001319600000000, -0.0004431800000000 ] - [ -0.0008275100000000, 0.0003621500000000, 0.0030200900000000 ] - [ -0.0001623700000000, -0.0004191000000000, 0.0003444900000000 ] - [ -0.0064343600000000, -0.0023515400000000, 0.0009726000000000 ] - [ -0.0001374400000000, -0.0002468000000000, -0.0005035800000000 ] - [ -0.0002055600000000, -0.0004742300000000, 0.0003839100000000 ] - [ -0.0000992100000000, 0.0009213000000000, -0.0009962900000000 ] - [ -0.0003275800000000, 0.0000617400000000, 0.0003412500000000 ] - [ -0.0003590500000000, -0.0001277000000000, -0.0006470900000000 ] - [ 0.0000414100000000, 0.0000180800000000, 0.0001301800000000 ] - [ -0.0003530500000000, -0.0000641400000000, -0.0002087800000000 ] - [ -0.0001775800000000, 0.0000537400000000, 0.0002750200000000 ] - [ 0.0005872400000000, -0.0013175300000000, 0.0020162600000000 ] - [ 0.0013434400000000, 0.0008724800000000, 0.0002112500000000 ] - [ -0.0046063600000000, 0.0053305500000000, -0.0047024100000000 ] - [ -0.0027387300000000, -0.0013712100000000, -0.0014759700000000 ] - [ -0.0026395800000000, -0.0006562000000000, 0.0010848100000000 ] - [ 0.0005346900000000, 0.0004556900000000, -0.0005228600000000 ] - [ -0.2755911500000000, 0.0983883700000000, -0.1287158000000000 ] - [ -0.0002720400000000, 0.0000426800000000, 0.0007850900000000 ] - [ 0.0010171900000000, -0.0000803700000000, 0.0005679600000000 ] - [ 0.0012021200000000, -0.0002682500000000, -0.0011665500000000 ] - [ 0.0004611000000000, -0.0005564600000000, -0.0013832800000000 ] - [ 0.0007488100000000, -0.0007620200000000, 0.0011313200000000 ] - [ 0.0005754300000000, 0.0006024500000000, -0.0002036600000000 ] - [ 0.0011218000000000, 0.0004473600000000, -0.0006071000000000 ] - [ 0.0001961800000000, 0.0000387000000000, 0.0002327600000000 ] - [ -0.0005385000000000, -0.0004591800000000, 0.0006122100000000 ] - [ 0.0022948200000000, -0.0005703800000000, -0.0009211700000000 ] - [ 0.0006788700000000, 0.0001528800000000, 0.0007307000000000 ] - [ -0.0000634300000000, -0.0008547000000000, 0.0006453000000000 ] - [ 0.0007422700000000, 0.0007806200000000, 0.0006135000000000 ] - [ -0.0002811100000000, 0.0004508900000000, 0.0016154600000000 ] - [ 0.0033434800000000, -0.0011610900000000, 0.0006123600000000 ] - [ 0.0028305100000000, -0.0018452100000000, 0.0002865700000000 ] - [ 0.0023818300000000, -0.0001459600000000, 0.0002703300000000 ] - [ 0.0001808700000000, 0.0001762500000000, -0.0030031700000000 ] - [ -0.0013699200000000, -0.0012481700000000, 0.0011905300000000 ] - [ 0.0218428100000000, -0.0056123900000000, 0.0106475100000000 ] - [ 0.0003251200000000, -0.0002812700000000, -0.0005928700000000 ] - [ 0.0043056200000000, 0.0013319400000000, 0.0021953300000000 ] - [ 0.0000399800000000, 0.0002122800000000, -0.0012999300000000 ] - [ -0.0014087700000000, -0.0006770900000000, 0.0015546800000000 ] - [ -0.0009959000000000, 0.0000712700000000, 0.0005461400000000 ] - [ -0.0000216200000000, -0.0007627400000000, 0.0005848700000000 ] - [ 0.0009508200000000, 0.0007343100000000, 0.0006655300000000 ] - [ 0.0024863500000000, 0.0021962900000000, -0.0003821500000000 ] - [ 0.0004570200000000, 0.0006749800000000, 0.0002586000000000 ] - [ -0.0019389700000000, -0.0031441100000000, 0.0059501200000000 ] - [ -0.0031757700000000, 0.0016396700000000, -0.0015610000000000 ] - [ -0.0002111300000000, 0.0012942300000000, -0.0020666600000000 ] - [ -0.0000386600000000, -0.0001096000000000, 0.0018907100000000 ] - [ -0.0004699200000000, 0.0007602900000000, 0.0004470300000000 ] - [ 0.0381241000000000, -0.0017951900000000, 0.0018732200000000 ] - [ -0.0018351100000000, 0.0003826800000000, 0.0012278200000000 ] - [ 0.0010715300000000, -0.0005782400000000, -0.0064361100000000 ] - [ 0.0012868800000000, -0.0192780000000000, 0.0086316500000000 ] - [ 0.0010242700000000, 0.0000826800000000, 0.0002994500000000 ] - [ -0.0039854300000000, -0.0008982600000000, -0.0036631200000000 ] - [ 0.0005404800000000, -0.0002597200000000, -0.0001524300000000 ] - [ 0.0001197600000000, -0.0004825200000000, -0.0007784300000000 ] - [ -0.0005808300000000, -0.0001639900000000, -0.0002339100000000 ] - [ 0.0024789700000000, 0.0022343600000000, -0.0027390400000000 ] - [ 0.0004960300000000, 0.0004027800000000, 0.0017090000000000 ] - [ 0.0022412600000000, 0.0006013200000000, 0.0012158800000000 ] - [ 0.0011544800000000, 0.0005279200000000, 0.0004883600000000 ] - [ 0.0028812700000000, -0.0006018600000000, -0.0003103000000000 ] - [ -0.0006921400000000, -0.0003987700000000, 0.0009301500000000 ] - [ -0.0000534700000000, 0.0003469300000000, 0.0025329300000000 ] - [ 0.0039141700000000, 0.0010109900000000, -0.0022805700000000 ] - [ 0.0015508400000000, 0.0001352400000000, -0.0006091700000000 ] - [ 0.0022767700000000, -0.0002975700000000, -0.0002743800000000 ] - [ 0.0006710000000000, -0.0002464700000000, 0.0004712700000000 ] - [ -0.0010624100000000, -0.0000238600000000, 0.0006197300000000 ] - [ 0.0011721600000000, 0.0002918000000000, 0.0005683500000000 ] - [ 0.0018413300000000, 0.0000471100000000, 0.0023341300000000 ] - [ 0.0013332900000000, -0.0003670400000000, -0.0001324600000000 ] - [ 0.0036766500000000, -0.0110205300000000, -0.0011869100000000 ] - [ -0.0084553000000000, 0.0016844800000000, 0.0073141200000000 ] - [ 0.0043409800000000, 0.0015592200000000, -0.0017073700000000 ] - [ 0.0037403200000000, -0.0029573600000000, 0.0189209400000000 ] - [ 0.0005841900000000, 0.0002750500000000, 0.0012188100000000 ] - [ 0.0013400200000000, -0.0004031500000000, -0.0007477800000000 ]- atom: 72 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0012165500000000, 0.0020925100000000, 0.0017100300000000 ] - [ 0.0003030800000000, 0.0000829500000000, -0.0000952200000000 ] - [ -0.0006607700000000, -0.0000662900000000, 0.0007910200000000 ] - [ 0.0004127300000000, -0.0017807700000000, -0.0028342500000000 ] - [ 0.0013429400000000, -0.0002128200000000, -0.0009530400000000 ] - [ 0.0013500400000000, 0.0000127900000000, 0.0001523800000000 ] - [ -0.0003299300000000, -0.0001632900000000, -0.0002375800000000 ] - [ -0.0000110300000000, -0.0000965700000000, 0.0007460600000000 ] - [ -0.0050809600000000, 0.0013095500000000, 0.0003743300000000 ] - [ 0.0006930200000000, -0.0001557700000000, -0.0001728400000000 ] - [ 0.0013441000000000, 0.0000600200000000, -0.0008167600000000 ] - [ 0.0006471800000000, -0.0000578000000000, 0.0000300900000000 ] - [ -0.0049209700000000, -0.0005101200000000, -0.0036035100000000 ] - [ 0.0016531900000000, 0.0003406400000000, 0.0005050700000000 ] - [ 0.0004597300000000, 0.0001542000000000, 0.0006589400000000 ] - [ -0.0008585900000000, 0.0001507200000000, 0.0007610500000000 ] - [ -0.0019043500000000, -0.0003987400000000, 0.0036169800000000 ] - [ 0.0057601700000000, -0.0007003600000000, 0.0006236500000000 ] - [ 0.0008232700000000, 0.0006233400000000, 0.0028248600000000 ] - [ 0.0007251000000000, 0.0000599900000000, 0.0000077800000000 ] - [ -0.0019114700000000, 0.0000174400000000, -0.0005375900000000 ] - [ -0.0000662400000000, -0.0000615800000000, 0.0001903100000000 ] - [ 0.0012573600000000, 0.0000622900000000, -0.0002921100000000 ] - [ -0.0000441200000000, 0.0001231100000000, -0.0010724200000000 ] - [ -0.0001338700000000, 0.0003679600000000, 0.0022589500000000 ] - [ 0.0092203400000000, -0.0023484700000000, 0.0011082900000000 ] - [ -0.0194836300000000, -0.0001669400000000, 0.0014800600000000 ] - [ 0.0048244000000000, -0.0002384100000000, -0.0016969300000000 ] - [ 0.0006885800000000, -0.0004550200000000, -0.0004353000000000 ] - [ -0.0021587700000000, -0.0008990000000000, 0.0017004400000000 ] - [ 0.0017938400000000, 0.0007286900000000, -0.0001176100000000 ] - [ 0.0012851900000000, 0.0090464000000000, -0.0114761400000000 ] - [ 0.0007930900000000, -0.0005555700000000, 0.0001575900000000 ] - [ -0.0002299700000000, -0.0002921900000000, 0.0019555900000000 ] - [ -0.0003700600000000, 0.0008745700000000, 0.0033260900000000 ] - [ 0.0050303000000000, -0.0002840500000000, 0.0010026900000000 ] - [ 0.0030878600000000, -0.0005825800000000, 0.0030537600000000 ] - [ 0.0017764500000000, 0.0000405200000000, -0.0014879400000000 ] - [ -0.2080246600000000, 0.0653958500000000, -0.0896456300000000 ] - [ 0.0013009700000000, 0.0007135900000000, 0.0007316200000000 ] - [ -0.0023526600000000, -0.0015705300000000, -0.0068466300000000 ] - [ -0.0027270700000000, 0.0001791300000000, 0.0043678600000000 ] - [ -0.0017381600000000, 0.0001981000000000, 0.0011489600000000 ] - [ 0.0056671900000000, -0.0000461400000000, -0.0009332700000000 ] - [ -0.0109118300000000, 0.0018199300000000, -0.0007281600000000 ] - [ 0.0052590300000000, 0.0012027100000000, -0.0045142000000000 ] - [ 0.0037463100000000, 0.0002676600000000, 0.0008110500000000 ] - [ 0.0017897400000000, 0.0001629600000000, -0.0010584500000000 ] - [ -0.0024132700000000, -0.0065665100000000, 0.0074514200000000 ] - [ 0.0001290100000000, 0.0004211000000000, 0.0005668100000000 ] - [ -0.0001655400000000, -0.0001059200000000, 0.0004334900000000 ] - [ -0.0015815200000000, -0.0006190700000000, -0.0001018200000000 ] - [ 0.0005754000000000, 0.0000664900000000, -0.0001835000000000 ] - [ 0.0002494800000000, 0.0000397900000000, -0.0000369600000000 ] - [ 0.0006285300000000, -0.0006437800000000, -0.0029386500000000 ] - [ 0.0003629900000000, 0.0001441700000000, -0.0004237900000000 ] - [ 0.0063626100000000, 0.0021807300000000, -0.0004900800000000 ] - [ 0.0003377500000000, 0.0005179300000000, 0.0004200200000000 ] - [ 0.0000045500000000, 0.0002025000000000, -0.0004673100000000 ] - [ -0.0001002700000000, -0.0006510800000000, 0.0010814000000000 ] - [ 0.0002416500000000, -0.0002338600000000, -0.0008273500000000 ] - [ 0.0001588800000000, 0.0004025900000000, 0.0005698000000000 ] - [ -0.0001256700000000, 0.0001537100000000, 0.0003515700000000 ] - [ 0.0004387300000000, -0.0001078000000000, -0.0002719400000000 ] - [ -0.0006883900000000, 0.0004286600000000, -0.0003812800000000 ] - [ -0.0005971100000000, 0.0010496100000000, -0.0014683400000000 ] - [ -0.0023080600000000, 0.0006168100000000, 0.0005813400000000 ] - [ 0.0047401600000000, -0.0053433600000000, 0.0041946500000000 ] - [ 0.0027146300000000, 0.0005516500000000, 0.0008705700000000 ] - [ 0.0026681000000000, 0.0014761100000000, -0.0016897400000000 ] - [ -0.0003585700000000, 0.0005207500000000, 0.0008121200000000 ] - [ 0.2855842900000000, -0.1037730400000000, 0.1360461400000000 ] - [ 0.0011388800000000, -0.0005258800000000, -0.0008933500000000 ] - [ -0.0011914000000000, -0.0008902100000000, -0.0002801200000000 ] - [ -0.0013528400000000, -0.0006984900000000, 0.0004518900000000 ] - [ -0.0004595200000000, 0.0008119400000000, 0.0019217200000000 ] - [ -0.0005763000000000, -0.0002102400000000, -0.0008511400000000 ] - [ -0.0007493300000000, 0.0003713800000000, 0.0004872200000000 ] - [ -0.0016910700000000, -0.0003855700000000, 0.0001525700000000 ] - [ -0.0001913600000000, 0.0002173800000000, -0.0007751400000000 ] - [ 0.0009314700000000, -0.0002047500000000, -0.0002560900000000 ] - [ -0.0028678400000000, 0.0005106800000000, 0.0004731400000000 ] - [ -0.0006949900000000, -0.0002256000000000, -0.0002544700000000 ] - [ 0.0002342100000000, -0.0001181900000000, -0.0009339500000000 ] - [ 0.0002204100000000, 0.0007068500000000, 0.0001776500000000 ] - [ -0.0001146400000000, 0.0002128700000000, -0.0012565600000000 ] - [ -0.0033278500000000, 0.0003455100000000, -0.0000113000000000 ] - [ -0.0018788100000000, 0.0003705800000000, 0.0005049600000000 ] - [ -0.0023691400000000, 0.0000723000000000, 0.0002087700000000 ] - [ -0.0005783200000000, -0.0008394900000000, 0.0033743800000000 ] - [ 0.0004102800000000, -0.0002367000000000, -0.0019846900000000 ] - [ -0.0215654900000000, 0.0056011900000000, -0.0109267300000000 ] - [ -0.0001747000000000, -0.0006874600000000, -0.0001170300000000 ] - [ -0.0034452900000000, -0.0008491400000000, -0.0020880200000000 ] - [ -0.0008791500000000, -0.0006911400000000, 0.0013991500000000 ] - [ 0.0013630300000000, 0.0015055700000000, -0.0021662800000000 ] - [ 0.0010161100000000, 0.0000000200000000, -0.0010275000000000 ] - [ -0.0009411800000000, -0.0007248600000000, 0.0002078200000000 ] - [ -0.0009282000000000, 0.0000834500000000, -0.0000631600000000 ] - [ -0.0024815300000000, -0.0024752700000000, -0.0001526500000000 ] - [ -0.0006066000000000, 0.0002943100000000, -0.0009673900000000 ] - [ 0.0017973100000000, 0.0041309300000000, -0.0052516100000000 ] - [ 0.0022353200000000, -0.0001595900000000, 0.0007609300000000 ] - [ 0.0011711700000000, 0.0001957600000000, 0.0012701600000000 ] - [ 0.0000396700000000, -0.0001489700000000, -0.0013532800000000 ] - [ 0.0002992800000000, 0.0002073500000000, -0.0007416200000000 ] - [ -0.0383805800000000, 0.0023379100000000, -0.0020102700000000 ] - [ 0.0017033600000000, -0.0013580100000000, -0.0005387900000000 ] - [ -0.0009175600000000, -0.0003819600000000, 0.0071309900000000 ] - [ -0.0014109300000000, 0.0185556200000000, -0.0090100700000000 ] - [ -0.0010099600000000, -0.0000103100000000, 0.0001776800000000 ] - [ 0.0040254800000000, 0.0011587400000000, 0.0042275500000000 ] - [ -0.0005448600000000, 0.0000038500000000, -0.0003880200000000 ] - [ -0.0005054300000000, -0.0001807900000000, 0.0004139700000000 ] - [ 0.0005619500000000, 0.0000921600000000, -0.0002456200000000 ] - [ -0.0023064000000000, -0.0012331700000000, 0.0024550900000000 ] - [ -0.0013531200000000, 0.0000760800000000, -0.0016139500000000 ] - [ -0.0016788300000000, -0.0006654400000000, -0.0016771000000000 ] - [ -0.0010079500000000, 0.0004398800000000, -0.0012058600000000 ] - [ -0.0029119300000000, 0.0014240800000000, 0.0009147800000000 ] - [ 0.0012587300000000, 0.0003377400000000, -0.0004812100000000 ] - [ 0.0001963000000000, 0.0006240300000000, -0.0018272300000000 ] - [ -0.0039575900000000, -0.0009531100000000, 0.0027849500000000 ] - [ -0.0009778100000000, -0.0000779900000000, 0.0001628800000000 ] - [ -0.0031527200000000, -0.0001887000000000, 0.0001698500000000 ] - [ -0.0006933000000000, -0.0005710300000000, 0.0001307100000000 ] - [ 0.0004941500000000, 0.0000840200000000, -0.0001720500000000 ] - [ -0.0007842500000000, 0.0003726700000000, -0.0009299800000000 ] - [ -0.0022358500000000, 0.0006206500000000, -0.0027206800000000 ] - [ -0.0004761500000000, -0.0001121100000000, 0.0002327500000000 ] - [ -0.0031742400000000, 0.0110606800000000, 0.0016549800000000 ] - [ 0.0084761700000000, -0.0025127800000000, -0.0080637500000000 ] - [ -0.0043453000000000, -0.0013036400000000, 0.0011656700000000 ] - [ -0.0032870400000000, 0.0036459500000000, -0.0187829200000000 ] - [ 0.0003659600000000, -0.0017625700000000, -0.0020120300000000 ] - [ -0.0009529100000000, -0.0002617300000000, 0.0003809200000000 ]- atom: 72 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0003020800000000, 0.0001988800000000, -0.0002006700000000 ] - [ 0.0000049300000000, -0.0000031900000000, 0.0000730700000000 ] - [ -0.0001249200000000, 0.0000084500000000, 0.0004848900000000 ] - [ 0.0012798300000000, -0.0006817600000000, -0.0021077100000000 ] - [ 0.0003175400000000, 0.0000679600000000, -0.0004088700000000 ] - [ 0.0003907200000000, -0.0000060600000000, -0.0000007400000000 ] - [ -0.0001122800000000, -0.0000964300000000, 0.0002347000000000 ] - [ 0.0001110700000000, 0.0000329500000000, 0.0004123300000000 ] - [ -0.0023491900000000, 0.0017408400000000, -0.0009485100000000 ] - [ 0.0002129900000000, -0.0000433700000000, -0.0002880700000000 ] - [ 0.0003105500000000, 0.0000153300000000, -0.0006275400000000 ] - [ 0.0001110400000000, 0.0000109700000000, 0.0001568000000000 ] - [ -0.0005772200000000, 0.0010572600000000, -0.0029359400000000 ] - [ 0.0002073700000000, -0.0000039100000000, -0.0000333700000000 ] - [ 0.0001376300000000, 0.0001546300000000, 0.0002690400000000 ] - [ -0.0002802700000000, 0.0000685100000000, 0.0007623300000000 ] - [ -0.0007396800000000, -0.0000985200000000, 0.0009883600000000 ] - [ 0.0013531300000000, 0.0000256600000000, -0.0003417200000000 ] - [ 0.0006035700000000, 0.0003844700000000, 0.0006520900000000 ] - [ 0.0005973700000000, 0.0000556100000000, 0.0001494900000000 ] - [ -0.0007408400000000, -0.0010359600000000, 0.0014296900000000 ] - [ -0.0004202000000000, -0.0000622000000000, 0.0000945600000000 ] - [ 0.0000252700000000, -0.0000075400000000, -0.0002285300000000 ] - [ 0.0001663600000000, -0.0000592800000000, -0.0003969200000000 ] - [ 0.0002491600000000, -0.0001917400000000, 0.0012758500000000 ] - [ 0.0027216300000000, -0.0004540700000000, 0.0003426900000000 ] - [ -0.0035177500000000, 0.0259228800000000, -0.0120994900000000 ] - [ 0.0008951200000000, -0.0000755700000000, -0.0013776500000000 ] - [ -0.0000153600000000, 0.0000082000000000, 0.0001521900000000 ] - [ -0.0007091700000000, -0.0004278000000000, 0.0017497600000000 ] - [ 0.0005570300000000, 0.0001962100000000, -0.0004682500000000 ] - [ -0.0053727500000000, 0.0036852800000000, -0.0023468300000000 ] - [ 0.0002930500000000, -0.0006294400000000, 0.0005335000000000 ] - [ 0.0001639700000000, -0.0001701900000000, 0.0011231100000000 ] - [ 0.0013213300000000, -0.0011841900000000, 0.0012969600000000 ] - [ 0.0017193000000000, -0.0005942600000000, -0.0005828900000000 ] - [ 0.0014485900000000, 0.0000022600000000, 0.0005168700000000 ] - [ -0.0001282700000000, -0.0004752200000000, 0.0000172500000000 ] - [ -0.0634052000000000, 0.0852253400000000, -0.0392788900000000 ] - [ 0.0002602200000000, 0.0006679500000000, 0.0004837000000000 ] - [ -0.0007573500000000, -0.0005472200000000, -0.0004163800000000 ] - [ -0.0007519600000000, 0.0008415900000000, 0.0048883500000000 ] - [ -0.0006810800000000, 0.0000778700000000, 0.0012887100000000 ] - [ 0.0013137500000000, -0.0003373000000000, -0.0005342900000000 ] - [ -0.0029524800000000, 0.0037788300000000, -0.0008450500000000 ] - [ 0.0080525400000000, -0.0060641100000000, -0.0056213600000000 ] - [ 0.0006076700000000, 0.0000955600000000, 0.0001775300000000 ] - [ 0.0001755400000000, 0.0000323100000000, -0.0006099200000000 ] - [ -0.0038668100000000, -0.0104009600000000, 0.0118202400000000 ] - [ 0.0001159400000000, 0.0002906000000000, 0.0004107800000000 ] - [ -0.0000003400000000, -0.0000773700000000, 0.0003718000000000 ] - [ -0.0011075000000000, -0.0039223500000000, -0.0013561900000000 ] - [ 0.0001680400000000, 0.0000570000000000, -0.0002274900000000 ] - [ 0.0001287200000000, 0.0000797400000000, -0.0001578000000000 ] - [ -0.0012816700000000, -0.0006727100000000, -0.0003170200000000 ] - [ 0.0001397000000000, -0.0000129000000000, -0.0002082800000000 ] - [ 0.0004629400000000, 0.0018969800000000, 0.0000142800000000 ] - [ 0.0001541200000000, 0.0002844300000000, 0.0001609400000000 ] - [ -0.0000879200000000, -0.0002054300000000, 0.0000680600000000 ] - [ -0.0001177100000000, -0.0002985500000000, 0.0005302700000000 ] - [ -0.0000571600000000, -0.0000565900000000, -0.0003458200000000 ] - [ 0.0001470000000000, 0.0001247200000000, 0.0000812100000000 ] - [ -0.0000766100000000, 0.0001000600000000, 0.0003319600000000 ] - [ 0.0001207600000000, -0.0000976000000000, -0.0002380700000000 ] - [ -0.0005143900000000, 0.0003429700000000, -0.0003423900000000 ] - [ -0.0004728500000000, 0.0003214800000000, -0.0002308700000000 ] - [ -0.0009174400000000, 0.0007246700000000, 0.0005455500000000 ] - [ 0.0126529500000000, 0.0139724400000000, -0.0101120200000000 ] - [ 0.0006657100000000, -0.0003236700000000, -0.0002361600000000 ] - [ 0.0015406600000000, 0.0012022800000000, -0.0017385300000000 ] - [ 0.0001023800000000, 0.0008268500000000, 0.0001745400000000 ] - [ 0.1011113100000000, -0.1475702400000000, 0.0898655500000000 ] - [ 0.0006831500000000, -0.0003871400000000, -0.0007022900000000 ] - [ -0.0003398900000000, -0.0006363600000000, -0.0000162600000000 ] - [ -0.0003537400000000, -0.0005895300000000, 0.0000634000000000 ] - [ 0.0002277400000000, -0.0000147900000000, 0.0002737000000000 ] - [ -0.0002645600000000, -0.0004686500000000, -0.0001007600000000 ] - [ -0.0002289800000000, 0.0004650400000000, 0.0002858600000000 ] - [ -0.0006938900000000, -0.0000800600000000, -0.0001212900000000 ] - [ -0.0001552200000000, 0.0002171800000000, -0.0006323700000000 ] - [ 0.0003730600000000, -0.0001476100000000, -0.0005934800000000 ] - [ -0.0008159100000000, 0.0000246700000000, -0.0001093000000000 ] - [ -0.0003727800000000, -0.0000590400000000, -0.0000431000000000 ] - [ 0.0001438200000000, -0.0002817700000000, -0.0005950300000000 ] - [ 0.0003794100000000, 0.0007086900000000, 0.0001692700000000 ] - [ -0.0002218100000000, 0.0002262600000000, -0.0004810600000000 ] - [ -0.0007222300000000, -0.0003042600000000, 0.0003980600000000 ] - [ -0.0004551000000000, -0.0004710800000000, 0.0007540400000000 ] - [ -0.0006514300000000, -0.0000458500000000, 0.0002698800000000 ] - [ -0.0011773500000000, 0.0005721100000000, 0.0021719000000000 ] - [ -0.0003152500000000, -0.0010088100000000, -0.0014653500000000 ] - [ -0.0066884400000000, -0.0007863700000000, -0.0035219000000000 ] - [ 0.0000352200000000, -0.0004685600000000, -0.0006584300000000 ] - [ -0.0006912300000000, -0.0001343800000000, -0.0006003200000000 ] - [ 0.0011414500000000, 0.0002460300000000, -0.0005620400000000 ] - [ -0.0011713700000000, 0.0018449200000000, -0.0023298800000000 ] - [ 0.0002333400000000, 0.0000747600000000, -0.0006618100000000 ] - [ -0.0005822900000000, -0.0007210900000000, 0.0002566700000000 ] - [ -0.0002399900000000, 0.0002959500000000, 0.0000809400000000 ] - [ 0.0001287500000000, 0.0003918700000000, 0.0009488200000000 ] - [ -0.0001939100000000, 0.0004121400000000, -0.0007072300000000 ] - [ 0.0014617700000000, 0.0070374000000000, -0.0072505500000000 ] - [ -0.0004416900000000, 0.0002496800000000, 0.0018392900000000 ] - [ 0.0007977800000000, 0.0007460400000000, -0.0002766300000000 ] - [ -0.0006991100000000, 0.0002853100000000, -0.0012337300000000 ] - [ 0.0000018900000000, 0.0003328100000000, -0.0006512400000000 ] - [ -0.0000438500000000, -0.0111613200000000, 0.0011320200000000 ] - [ 0.0005688700000000, -0.0013334700000000, -0.0003533900000000 ] - [ 0.0007145100000000, -0.0006917000000000, 0.0009903600000000 ] - [ -0.0260954900000000, 0.0326099700000000, -0.0192545900000000 ] - [ -0.0002008900000000, 0.0000062800000000, 0.0001440700000000 ] - [ 0.0008969200000000, -0.0009568800000000, 0.0004295200000000 ] - [ -0.0000711500000000, -0.0001402100000000, -0.0004205000000000 ] - [ -0.0000869400000000, -0.0002693800000000, -0.0004964600000000 ] - [ 0.0002977900000000, 0.0000125100000000, -0.0003980700000000 ] - [ 0.0010415600000000, 0.0058457300000000, 0.0007793400000000 ] - [ -0.0008845500000000, 0.0002783000000000, -0.0004161800000000 ] - [ -0.0003482700000000, -0.0002599500000000, -0.0006452200000000 ] - [ -0.0004266100000000, 0.0006933800000000, -0.0000912600000000 ] - [ -0.0007379600000000, 0.0008671600000000, 0.0007169800000000 ] - [ 0.0006464500000000, 0.0001298600000000, -0.0002107500000000 ] - [ -0.0001419500000000, 0.0009505400000000, -0.0006264400000000 ] - [ -0.0003904900000000, -0.0000427900000000, 0.0008144200000000 ] - [ 0.0003864500000000, 0.0000491800000000, -0.0001030300000000 ] - [ -0.0024160400000000, 0.0005061900000000, 0.0004938300000000 ] - [ -0.0001697000000000, -0.0004097200000000, 0.0000997200000000 ] - [ -0.0002269600000000, -0.0000345800000000, -0.0003018700000000 ] - [ -0.0000435400000000, 0.0003432800000000, -0.0005054300000000 ] - [ -0.0008083900000000, 0.0003262200000000, -0.0005566900000000 ] - [ 0.0002461700000000, -0.0002331000000000, 0.0001526900000000 ] - [ -0.0106726400000000, 0.0155749400000000, 0.0026649400000000 ] - [ 0.0018177300000000, -0.0051442700000000, -0.0039302500000000 ] - [ -0.0011756800000000, -0.0004275100000000, 0.0003077600000000 ] - [ -0.0016101600000000, -0.0119586100000000, -0.0002243400000000 ] - [ 0.0006571300000000, -0.0000636700000000, -0.0002236800000000 ] - [ -0.0001377200000000, -0.0002841600000000, 0.0001159800000000 ]- atom: 72 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0003077600000000, 0.0000377900000000, 0.0001993100000000 ] - [ -0.0000056100000000, 0.0000034400000000, -0.0000730300000000 ] - [ 0.0001270800000000, -0.0000129700000000, -0.0006127100000000 ] - [ -0.0012682900000000, 0.0007011100000000, 0.0021118300000000 ] - [ -0.0003219600000000, -0.0003365300000000, 0.0004136400000000 ] - [ -0.0003958900000000, 0.0000047100000000, 0.0001276100000000 ] - [ 0.0001127200000000, -0.0001706400000000, -0.0002354100000000 ] - [ -0.0001110000000000, -0.0000307400000000, -0.0004163600000000 ] - [ 0.0024237500000000, -0.0014183200000000, 0.0019413000000000 ] - [ -0.0002162800000000, 0.0000445200000000, -0.0005649300000000 ] - [ -0.0003152200000000, -0.0000145500000000, -0.0002228500000000 ] - [ -0.0001120000000000, -0.0000110300000000, -0.0000311100000000 ] - [ 0.0006146400000000, -0.0011189500000000, 0.0027694000000000 ] - [ -0.0002139600000000, 0.0000059500000000, 0.0000304700000000 ] - [ -0.0001398600000000, 0.0001098400000000, -0.0002718300000000 ] - [ 0.0002834800000000, -0.0000677400000000, 0.0000875500000000 ] - [ -0.0002908300000000, -0.0000109600000000, -0.0009215700000000 ] - [ -0.0003428300000000, -0.0001375500000000, 0.0002340400000000 ] - [ 0.0004412000000000, -0.0005008200000000, -0.0005524700000000 ] - [ 0.0004434500000000, 0.0000627200000000, -0.0002564000000000 ] - [ -0.0002970600000000, 0.0011572100000000, -0.0013384800000000 ] - [ -0.0006226000000000, -0.0000561600000000, -0.0002007300000000 ] - [ -0.0010748700000000, 0.0001258700000000, 0.0001250300000000 ] - [ 0.0008761400000000, 0.0001789300000000, 0.0005098700000000 ] - [ -0.0002481900000000, 0.0001825000000000, -0.0012882600000000 ] - [ -0.0027406500000000, 0.0004462300000000, -0.0003516200000000 ] - [ 0.0042388600000000, -0.0271010900000000, 0.0153513700000000 ] - [ -0.0009139900000000, 0.0000708500000000, -0.0003307400000000 ] - [ 0.0000138900000000, -0.0000093300000000, -0.0001522300000000 ] - [ 0.0007163200000000, 0.0004235200000000, -0.0000423800000000 ] - [ -0.0005640100000000, -0.0002007000000000, -0.0012484500000000 ] - [ 0.0054011400000000, -0.0037804000000000, 0.0024066000000000 ] - [ -0.0002218300000000, -0.0006440900000000, -0.0004568500000000 ] - [ 0.0006046900000000, 0.0000238900000000, -0.0006177200000000 ] - [ -0.0012611400000000, 0.0024620900000000, -0.0013997300000000 ] - [ -0.0016443400000000, 0.0018758400000000, 0.0006647800000000 ] - [ -0.0007054500000000, -0.0001409700000000, -0.0010450600000000 ] - [ 0.0009002100000000, 0.0006289100000000, -0.0005308700000000 ] - [ 0.0613329100000000, -0.0855504800000000, 0.0390962200000000 ] - [ -0.0003387100000000, 0.0006060300000000, -0.0004081200000000 ] - [ 0.0008439600000000, -0.0007214700000000, 0.0003445900000000 ] - [ 0.0006897500000000, 0.0004402700000000, -0.0049363400000000 ] - [ -0.0000802000000000, 0.0000741500000000, -0.0007852500000000 ] - [ -0.0014085200000000, -0.0009353200000000, 0.0006215500000000 ] - [ 0.0028670200000000, -0.0050118100000000, 0.0007679500000000 ] - [ -0.0073668500000000, 0.0062282800000000, 0.0061905500000000 ] - [ -0.0013852400000000, -0.0002445100000000, -0.0006920800000000 ] - [ -0.0009500800000000, 0.0001185700000000, 0.0001050700000000 ] - [ 0.0040436300000000, 0.0106380400000000, -0.0116826400000000 ] - [ 0.0000847500000000, -0.0005607000000000, -0.0003290100000000 ] - [ 0.0000859600000000, -0.0000925500000000, 0.0001068600000000 ] - [ 0.0012088600000000, 0.0041061100000000, 0.0018263200000000 ] - [ -0.0000849000000000, 0.0001139600000000, -0.0002524900000000 ] - [ -0.0002144200000000, 0.0000912300000000, -0.0003223500000000 ] - [ 0.0010855700000000, 0.0004246800000000, 0.0004209900000000 ] - [ 0.0000592700000000, -0.0002596200000000, 0.0001284100000000 ] - [ -0.0005506500000000, -0.0020835500000000, 0.0004666700000000 ] - [ 0.0000449700000000, -0.0000141200000000, -0.0002447200000000 ] - [ -0.0001123200000000, -0.0000647200000000, -0.0001509000000000 ] - [ -0.0000821400000000, 0.0005761400000000, -0.0004550800000000 ] - [ -0.0000290700000000, -0.0001124000000000, -0.0001308500000000 ] - [ -0.0003473700000000, 0.0001510700000000, -0.0001600800000000 ] - [ -0.0000081900000000, 0.0000707900000000, 0.0001471200000000 ] - [ -0.0000372100000000, -0.0000729400000000, -0.0002416300000000 ] - [ -0.0003423100000000, 0.0001369500000000, 0.0002415700000000 ] - [ 0.0004858700000000, -0.0005749900000000, 0.0007750100000000 ] - [ -0.0000363300000000, 0.0007714100000000, 0.0002453400000000 ] - [ -0.0128588300000000, -0.0142291000000000, 0.0098381400000000 ] - [ -0.0007079200000000, -0.0004957800000000, -0.0003646800000000 ] - [ -0.0015150200000000, -0.0003814300000000, 0.0011274600000000 ] - [ 0.0000697600000000, 0.0001345000000000, 0.0001173800000000 ] - [ -0.1009664100000000, 0.1485150800000000, -0.0904849400000000 ] - [ 0.0001714500000000, -0.0000922200000000, 0.0006039100000000 ] - [ 0.0001701600000000, -0.0003293100000000, 0.0003103000000000 ] - [ 0.0002101200000000, -0.0003737100000000, -0.0007861700000000 ] - [ -0.0002228600000000, 0.0002698300000000, 0.0002634600000000 ] - [ 0.0004407000000000, -0.0005051000000000, 0.0003951500000000 ] - [ 0.0000580600000000, 0.0004999200000000, 0.0000043600000000 ] - [ 0.0001366800000000, 0.0001457000000000, -0.0003361400000000 ] - [ 0.0001645700000000, 0.0000362100000000, 0.0000979500000000 ] - [ 0.0000134100000000, -0.0005185600000000, 0.0009560600000000 ] - [ 0.0002625200000000, -0.0000900100000000, -0.0003491100000000 ] - [ 0.0003575600000000, -0.0000062700000000, 0.0005192500000000 ] - [ 0.0000287500000000, -0.0006883100000000, 0.0003077500000000 ] - [ 0.0005820800000000, 0.0007904500000000, 0.0006254200000000 ] - [ -0.0001683400000000, 0.0004403900000000, 0.0008414000000000 ] - [ 0.0007625900000000, -0.0005167800000000, 0.0002037100000000 ] - [ 0.0014192900000000, -0.0010382000000000, 0.0000383600000000 ] - [ 0.0006775800000000, -0.0000208300000000, 0.0002042600000000 ] - [ 0.0008012400000000, -0.0012361700000000, -0.0018426100000000 ] - [ -0.0006492900000000, -0.0005057100000000, 0.0006720200000000 ] - [ 0.0067184300000000, 0.0008907200000000, 0.0030738200000000 ] - [ 0.0001136300000000, -0.0004956300000000, -0.0000575200000000 ] - [ 0.0015579600000000, 0.0006176900000000, 0.0007083700000000 ] - [ -0.0020147300000000, -0.0007262800000000, 0.0006704700000000 ] - [ 0.0011513100000000, -0.0010316900000000, 0.0017512400000000 ] - [ -0.0002194600000000, -0.0000049300000000, 0.0001939200000000 ] - [ -0.0003769600000000, -0.0007782700000000, 0.0005378000000000 ] - [ 0.0002716500000000, 0.0005245300000000, 0.0005237500000000 ] - [ -0.0001307100000000, -0.0006290200000000, -0.0014938900000000 ] - [ 0.0000476900000000, 0.0005519300000000, -0.0000071100000000 ] - [ -0.0016103100000000, -0.0060352800000000, 0.0079136000000000 ] - [ -0.0005263700000000, 0.0012340300000000, -0.0026187900000000 ] - [ 0.0001605600000000, 0.0007484000000000, -0.0005185200000000 ] - [ 0.0006837600000000, -0.0005315300000000, 0.0017678300000000 ] - [ -0.0001757700000000, 0.0006304800000000, 0.0003604800000000 ] - [ 0.0011118400000000, 0.0115983700000000, -0.0012296300000000 ] - [ -0.0007148300000000, 0.0003616700000000, 0.0010699300000000 ] - [ -0.0005773600000000, -0.0002842100000000, -0.0002824300000000 ] - [ 0.0253499800000000, -0.0329232900000000, 0.0186548800000000 ] - [ 0.0002211700000000, 0.0000622500000000, 0.0003304600000000 ] - [ -0.0009129600000000, 0.0012119200000000, 0.0000948700000000 ] - [ 0.0000654300000000, -0.0001136800000000, -0.0001169700000000 ] - [ -0.0003025500000000, -0.0003970200000000, 0.0001439100000000 ] - [ -0.0003160400000000, -0.0000796000000000, -0.0000754300000000 ] - [ -0.0008375800000000, -0.0049109600000000, -0.0010985100000000 ] - [ 0.0000399800000000, 0.0002033500000000, 0.0005327800000000 ] - [ 0.0009212400000000, 0.0001989100000000, 0.0001979700000000 ] - [ 0.0005744100000000, 0.0002684800000000, -0.0006305600000000 ] - [ 0.0007141700000000, -0.0000501500000000, -0.0001163800000000 ] - [ -0.0000878400000000, -0.0001947300000000, 0.0006695800000000 ] - [ 0.0002916400000000, 0.0000103200000000, 0.0013584100000000 ] - [ 0.0003950700000000, 0.0001204900000000, -0.0003560400000000 ] - [ 0.0001756900000000, 0.0000170100000000, -0.0003543000000000 ] - [ 0.0015914800000000, -0.0009805500000000, -0.0005949000000000 ] - [ 0.0001430300000000, -0.0004090800000000, 0.0005052000000000 ] - [ -0.0003370800000000, 0.0000987000000000, 0.0007591800000000 ] - [ 0.0004344700000000, 0.0003225400000000, 0.0001520200000000 ] - [ 0.0004353200000000, 0.0003376900000000, 0.0002135400000000 ] - [ 0.0006141500000000, -0.0002474200000000, -0.0000518800000000 ] - [ 0.0114132700000000, -0.0157653600000000, -0.0022216200000000 ] - [ -0.0017995600000000, 0.0043491700000000, 0.0032527500000000 ] - [ 0.0011817500000000, 0.0006874000000000, -0.0008518900000000 ] - [ 0.0021645200000000, 0.0125270800000000, 0.0008091600000000 ] - [ 0.0003079500000000, -0.0014376800000000, -0.0005593600000000 ] - [ 0.0005308000000000, -0.0003822700000000, -0.0004765500000000 ]- atom: 72 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0026198400000000, -0.0018952300000000, 0.0006205800000000 ] - [ 0.0001262100000000, 0.0000324200000000, -0.0005412300000000 ] - [ -0.0002927700000000, 0.0007750700000000, -0.0020635400000000 ] - [ 0.0005682300000000, 0.0001341900000000, 0.0022612500000000 ] - [ 0.0003720900000000, -0.0003657800000000, 0.0006122500000000 ] - [ -0.0005286900000000, -0.0000831300000000, 0.0003463400000000 ] - [ 0.0007058500000000, 0.0001677000000000, -0.0008608700000000 ] - [ -0.0002470300000000, 0.0001290500000000, -0.0012358900000000 ] - [ 0.0007248800000000, -0.0003116500000000, 0.0045070400000000 ] - [ -0.0003018800000000, 0.0000853800000000, -0.0008525400000000 ] - [ -0.0002299900000000, -0.0000280900000000, 0.0000051500000000 ] - [ -0.0000594700000000, 0.0000012000000000, -0.0002129200000000 ] - [ 0.0037426800000000, -0.0028695800000000, 0.0010791800000000 ] - [ -0.0007025200000000, -0.0002529400000000, 0.0005630300000000 ] - [ -0.0004283100000000, 0.0001226700000000, -0.0005894400000000 ] - [ 0.0003177900000000, 0.0000163700000000, -0.0008744800000000 ] - [ 0.0002568500000000, 0.0008163500000000, -0.0055830900000000 ] - [ -0.0002676500000000, -0.0002235700000000, 0.0008308100000000 ] - [ -0.0015801800000000, -0.0005913400000000, -0.0013619400000000 ] - [ 0.0005211900000000, 0.0000446900000000, -0.0006444400000000 ] - [ 0.0001654000000000, 0.0000881200000000, -0.0009764900000000 ] - [ -0.0006793100000000, -0.0000452800000000, -0.0005022700000000 ] - [ -0.0008875100000000, 0.0000897500000000, 0.0004048300000000 ] - [ 0.0011949500000000, 0.0001495400000000, 0.0000535800000000 ] - [ -0.0005959600000000, -0.0004807900000000, -0.0036937700000000 ] - [ -0.0046335500000000, 0.0016361800000000, 0.0013436200000000 ] - [ 0.0044310000000000, -0.0137200200000000, 0.0312803200000000 ] - [ -0.0006754000000000, 0.0001544500000000, 0.0003601800000000 ] - [ 0.0003446400000000, -0.0001745800000000, -0.0015391500000000 ] - [ 0.0009487100000000, -0.0001180300000000, -0.0029940100000000 ] - [ -0.0007962100000000, -0.0003612300000000, -0.0021302700000000 ] - [ 0.0049952300000000, -0.0014114300000000, 0.0050137700000000 ] - [ -0.0001054300000000, -0.0005441300000000, -0.0018684600000000 ] - [ 0.0004370800000000, 0.0000392500000000, -0.0031886500000000 ] - [ -0.0026182200000000, 0.0007236500000000, -0.0023773200000000 ] - [ -0.0012538000000000, 0.0013960000000000, 0.0020551100000000 ] - [ -0.0033506700000000, 0.0005861200000000, -0.0011730500000000 ] - [ 0.0017767700000000, 0.0002708600000000, -0.0008075700000000 ] - [ 0.0802197600000000, -0.0368190800000000, 0.1107296400000000 ] - [ -0.0004332200000000, 0.0005533200000000, -0.0012559400000000 ] - [ 0.0029407600000000, -0.0001438200000000, -0.0022859100000000 ] - [ 0.0003911500000000, 0.0014632800000000, -0.0033651300000000 ] - [ 0.0000387900000000, -0.0007138000000000, -0.0033799300000000 ] - [ -0.0014863000000000, -0.0010869300000000, 0.0016585400000000 ] - [ 0.0146833600000000, -0.0073225400000000, -0.0067681100000000 ] - [ -0.0000952300000000, 0.0009775300000000, 0.0047688800000000 ] - [ -0.0020700100000000, -0.0003375000000000, -0.0010534400000000 ] - [ -0.0006130500000000, 0.0001044000000000, 0.0001507400000000 ] - [ 0.0008452100000000, 0.0024316500000000, -0.0019777800000000 ] - [ 0.0000107600000000, -0.0025732100000000, -0.0026504600000000 ] - [ 0.0001205500000000, 0.0000218200000000, -0.0003393900000000 ] - [ -0.0000951000000000, 0.0008001500000000, 0.0026763600000000 ] - [ -0.0001677900000000, 0.0001217600000000, -0.0001887200000000 ] - [ -0.0003364100000000, 0.0000754500000000, -0.0004028500000000 ] - [ 0.0010166800000000, 0.0021045100000000, 0.0023329800000000 ] - [ 0.0001215400000000, -0.0004201600000000, 0.0003501900000000 ] - [ -0.0022603100000000, -0.0011156200000000, 0.0024778500000000 ] - [ -0.0000104300000000, -0.0002261300000000, -0.0005140400000000 ] - [ 0.0000734900000000, 0.0001717500000000, -0.0005102900000000 ] - [ -0.0001938600000000, 0.0011311400000000, -0.0012770000000000 ] - [ 0.0002824900000000, -0.0001620100000000, -0.0000028900000000 ] - [ -0.0004262000000000, 0.0006385300000000, 0.0003817200000000 ] - [ -0.0000572300000000, 0.0000649800000000, -0.0001021700000000 ] - [ 0.0000100900000000, -0.0000490200000000, -0.0003092600000000 ] - [ 0.0000987300000000, -0.0001509200000000, 0.0013295300000000 ] - [ 0.0014072500000000, -0.0002485300000000, 0.0005326700000000 ] - [ -0.0000395900000000, 0.0007639800000000, -0.0001205200000000 ] - [ -0.0082850000000000, -0.0105443800000000, 0.0005971700000000 ] - [ -0.0018956700000000, -0.0005470800000000, 0.0014019500000000 ] - [ -0.0012112400000000, 0.0000247800000000, 0.0015109000000000 ] - [ -0.0003600700000000, 0.0002398600000000, 0.0003219400000000 ] - [ -0.1313456700000000, 0.0903820700000000, -0.1812750000000000 ] - [ -0.0003688500000000, 0.0004127800000000, 0.0018193700000000 ] - [ 0.0003692600000000, -0.0001654700000000, 0.0004554400000000 ] - [ 0.0001527900000000, -0.0002939500000000, -0.0014691600000000 ] - [ -0.0013496200000000, 0.0008228000000000, 0.0012353400000000 ] - [ 0.0008895600000000, -0.0011003300000000, 0.0002594000000000 ] - [ -0.0000445600000000, 0.0005736800000000, -0.0000665400000000 ] - [ 0.0000966600000000, 0.0001391900000000, -0.0001867500000000 ] - [ 0.0002511500000000, -0.0001139400000000, 0.0010571200000000 ] - [ -0.0001976300000000, -0.0007336500000000, 0.0025011000000000 ] - [ 0.0004191900000000, -0.0001534900000000, -0.0004761700000000 ] - [ 0.0005774400000000, 0.0001497200000000, 0.0010154100000000 ] - [ 0.0001118200000000, -0.0008423400000000, 0.0012804400000000 ] - [ 0.0005638900000000, 0.0008759300000000, 0.0011438400000000 ] - [ 0.0004702900000000, 0.0006502600000000, 0.0026305800000000 ] - [ 0.0006996800000000, -0.0003877900000000, -0.0002536900000000 ] - [ 0.0010875700000000, -0.0009016300000000, -0.0004621100000000 ] - [ 0.0007386400000000, -0.0001013000000000, -0.0002004700000000 ] - [ -0.0008303200000000, 0.0004105100000000, -0.0021780600000000 ] - [ -0.0006903400000000, -0.0017547500000000, 0.0016121800000000 ] - [ 0.0131809400000000, -0.0035276400000000, 0.0021651100000000 ] - [ -0.0001289500000000, -0.0006038300000000, 0.0008444300000000 ] - [ 0.0023886400000000, 0.0007719600000000, 0.0008803600000000 ] - [ -0.0022576900000000, -0.0006913000000000, 0.0002913200000000 ] - [ 0.0018292100000000, -0.0018064400000000, 0.0008994900000000 ] - [ -0.0002141300000000, 0.0002167300000000, 0.0014633200000000 ] - [ -0.0003505000000000, -0.0008353000000000, 0.0008656400000000 ] - [ 0.0004057700000000, 0.0006490200000000, 0.0009262200000000 ] - [ -0.0001942000000000, -0.0005433800000000, -0.0021187200000000 ] - [ 0.0001249200000000, 0.0006433500000000, 0.0005639200000000 ] - [ -0.0003334900000000, 0.0002038500000000, 0.0023450200000000 ] - [ -0.0029743200000000, 0.0032581200000000, 0.0001635600000000 ] - [ -0.0001915100000000, 0.0000857500000000, 0.0003927300000000 ] - [ 0.0008704500000000, -0.0002516400000000, 0.0020985200000000 ] - [ -0.0002455200000000, 0.0017920500000000, 0.0022358400000000 ] - [ -0.0025117900000000, 0.0015999800000000, -0.0137889900000000 ] - [ -0.0024875500000000, 0.0018054600000000, 0.0055885600000000 ] - [ -0.0028068200000000, -0.0020066100000000, 0.0012479400000000 ] - [ 0.0089167100000000, -0.0138176000000000, -0.0072058600000000 ] - [ 0.0001680200000000, 0.0000808000000000, 0.0007057100000000 ] - [ -0.0043539800000000, -0.0004543900000000, -0.0008504100000000 ] - [ 0.0000044600000000, -0.0000223300000000, 0.0003494000000000 ] - [ -0.0005091100000000, -0.0003480900000000, 0.0004346100000000 ] - [ -0.0004283400000000, -0.0000318900000000, 0.0006449100000000 ] - [ -0.0000607200000000, -0.0007382400000000, -0.0027635800000000 ] - [ 0.0019027400000000, 0.0001977000000000, 0.0018202700000000 ] - [ 0.0017290300000000, 0.0003900000000000, 0.0005961200000000 ] - [ 0.0006773700000000, 0.0002438900000000, -0.0016028400000000 ] - [ 0.0007816800000000, -0.0001235500000000, -0.0005834400000000 ] - [ -0.0004227000000000, -0.0004723000000000, 0.0021150100000000 ] - [ 0.0005382800000000, 0.0000182600000000, 0.0024377700000000 ] - [ 0.0000359300000000, 0.0001999500000000, -0.0008588200000000 ] - [ -0.0001030000000000, 0.0001595500000000, -0.0005480300000000 ] - [ -0.0004443700000000, -0.0014355700000000, -0.0018114400000000 ] - [ 0.0000006600000000, -0.0005739300000000, 0.0010467400000000 ] - [ 0.0001143300000000, 0.0005631900000000, 0.0020762400000000 ] - [ 0.0006051700000000, 0.0003086400000000, 0.0004844200000000 ] - [ 0.0015375700000000, 0.0002526700000000, -0.0002621300000000 ] - [ 0.0003073100000000, -0.0001950400000000, 0.0001569500000000 ] - [ 0.0016837100000000, -0.0023958200000000, -0.0047843300000000 ] - [ -0.0040354900000000, 0.0012331500000000, 0.0253288400000000 ] - [ 0.0016219900000000, 0.0008172000000000, -0.0016737600000000 ] - [ 0.0309731700000000, -0.0052661600000000, 0.0297904000000000 ] - [ 0.0017037600000000, -0.0000664900000000, 0.0000880000000000 ] - [ 0.0003523500000000, -0.0003624400000000, -0.0006201600000000 ]- atom: 72 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0026248200000000, 0.0021658000000000, -0.0006376100000000 ] - [ -0.0001273700000000, -0.0000327300000000, 0.0005399000000000 ] - [ 0.0002902200000000, -0.0007690100000000, 0.0019290100000000 ] - [ -0.0005679400000000, -0.0001251800000000, -0.0022380000000000 ] - [ -0.0003722200000000, 0.0001010600000000, -0.0006129400000000 ] - [ 0.0005267200000000, 0.0000841700000000, -0.0002228900000000 ] - [ -0.0007003900000000, -0.0004311200000000, 0.0008615700000000 ] - [ 0.0002487800000000, -0.0001299100000000, 0.0012338900000000 ] - [ -0.0006907400000000, 0.0003750600000000, -0.0036113100000000 ] - [ 0.0003011700000000, -0.0000853800000000, -0.0000009600000000 ] - [ 0.0002252100000000, 0.0000281700000000, -0.0008535600000000 ] - [ 0.0000592400000000, -0.0000005000000000, 0.0003407200000000 ] - [ -0.0037193900000000, 0.0027866400000000, -0.0013661600000000 ] - [ 0.0006994700000000, 0.0002511100000000, -0.0005586800000000 ] - [ 0.0004243400000000, 0.0001433400000000, 0.0005885900000000 ] - [ -0.0003174200000000, -0.0000173200000000, 0.0017236700000000 ] - [ -0.0013007500000000, -0.0009400800000000, 0.0057000100000000 ] - [ 0.0012776000000000, 0.0001088500000000, -0.0009456300000000 ] - [ 0.0026057400000000, 0.0004703500000000, 0.0014631100000000 ] - [ 0.0005214700000000, 0.0000729500000000, 0.0005402300000000 ] - [ -0.0012002900000000, 0.0000285000000000, 0.0010890500000000 ] - [ -0.0003634600000000, -0.0000732000000000, 0.0003974100000000 ] - [ -0.0001565400000000, 0.0000278700000000, -0.0005099900000000 ] - [ -0.0001535700000000, -0.0000311700000000, 0.0000486500000000 ] - [ 0.0006004600000000, 0.0004848400000000, 0.0036908000000000 ] - [ 0.0046175400000000, -0.0016294900000000, -0.0013332300000000 ] - [ -0.0036854300000000, 0.0121350900000000, -0.0283620400000000 ] - [ 0.0006578300000000, -0.0001557100000000, -0.0020646900000000 ] - [ -0.0003482700000000, 0.0001770700000000, 0.0015342600000000 ] - [ -0.0009496500000000, 0.0001232900000000, 0.0046990700000000 ] - [ 0.0007962000000000, 0.0003614700000000, 0.0004147000000000 ] - [ -0.0049973400000000, 0.0013653200000000, -0.0049281100000000 ] - [ 0.0001856500000000, -0.0007313300000000, 0.0019516200000000 ] - [ 0.0003229100000000, -0.0001902800000000, 0.0036872000000000 ] - [ 0.0026809200000000, 0.0005490000000000, 0.0022946400000000 ] - [ 0.0013053900000000, -0.0001155400000000, -0.0019903800000000 ] - [ 0.0041314800000000, -0.0007389300000000, 0.0006430700000000 ] - [ -0.0010111600000000, -0.0001235400000000, 0.0003076100000000 ] - [ -0.0840218000000000, 0.0379684900000000, -0.1109397500000000 ] - [ 0.0003552400000000, 0.0007206400000000, 0.0013351300000000 ] - [ -0.0028732200000000, -0.0011333600000000, 0.0022011200000000 ] - [ -0.0004676300000000, -0.0001954500000000, 0.0032337000000000 ] - [ -0.0007998600000000, 0.0008584500000000, 0.0038851600000000 ] - [ 0.0013990600000000, -0.0001883600000000, -0.0015787900000000 ] - [ -0.0146276800000000, 0.0059933300000000, 0.0066722600000000 ] - [ 0.0008873300000000, -0.0008187200000000, -0.0042702600000000 ] - [ 0.0012919600000000, 0.0001882100000000, 0.0005452100000000 ] - [ -0.0001546400000000, 0.0000450300000000, -0.0006667700000000 ] - [ -0.0006142000000000, -0.0020870100000000, 0.0019677400000000 ] - [ 0.0001877400000000, 0.0022915200000000, 0.0027223700000000 ] - [ -0.0000349400000000, -0.0001926100000000, 0.0008173300000000 ] - [ 0.0001736700000000, -0.0006451400000000, -0.0021942700000000 ] - [ 0.0002510000000000, 0.0000489000000000, -0.0002900300000000 ] - [ 0.0002516300000000, 0.0000955100000000, -0.0000778300000000 ] - [ -0.0012146600000000, -0.0023826400000000, -0.0022631600000000 ] - [ 0.0000781700000000, 0.0001491200000000, -0.0004334200000000 ] - [ 0.0021616600000000, 0.0009357200000000, -0.0019766000000000 ] - [ 0.0002096300000000, 0.0004982700000000, 0.0004327500000000 ] - [ -0.0002728700000000, -0.0004472000000000, 0.0004327400000000 ] - [ -0.0000067000000000, -0.0008576100000000, 0.0013559800000000 ] - [ -0.0003659500000000, -0.0000076700000000, -0.0004722100000000 ] - [ 0.0002262100000000, -0.0003731400000000, -0.0004719600000000 ] - [ -0.0000282200000000, 0.0001055300000000, 0.0005808300000000 ] - [ 0.0000744500000000, -0.0001218700000000, -0.0001709500000000 ] - [ -0.0009516500000000, 0.0006293400000000, -0.0014261400000000 ] - [ -0.0013928200000000, -0.0000052000000000, 0.0000043800000000 ] - [ -0.0009176900000000, 0.0007336100000000, 0.0009125900000000 ] - [ 0.0082568900000000, 0.0104230500000000, -0.0011325800000000 ] - [ 0.0018731900000000, -0.0002712000000000, -0.0020043700000000 ] - [ 0.0012328600000000, 0.0007888700000000, -0.0021008900000000 ] - [ 0.0005325300000000, 0.0007271200000000, -0.0000362100000000 ] - [ 0.1333271000000000, -0.0899771200000000, 0.1813242800000000 ] - [ 0.0012221700000000, -0.0008905200000000, -0.0019175500000000 ] - [ -0.0005389700000000, -0.0007998500000000, -0.0001648000000000 ] - [ -0.0002986700000000, -0.0006697900000000, 0.0007515900000000 ] - [ 0.0013587000000000, -0.0005693400000000, -0.0006944700000000 ] - [ -0.0007189000000000, 0.0001384800000000, 0.0000402200000000 ] - [ -0.0001279800000000, 0.0003916600000000, 0.0003602200000000 ] - [ -0.0006597700000000, -0.0000755800000000, -0.0002662500000000 ] - [ -0.0002479600000000, 0.0003687000000000, -0.0015963900000000 ] - [ 0.0005828700000000, 0.0000656300000000, -0.0021409400000000 ] - [ -0.0009722400000000, 0.0000863300000000, 0.0000144800000000 ] - [ -0.0005959600000000, -0.0002178000000000, -0.0005394000000000 ] - [ 0.0000626200000000, -0.0001231500000000, -0.0015677900000000 ] - [ 0.0003952200000000, 0.0006230300000000, -0.0003509300000000 ] - [ -0.0008518200000000, 0.0000177300000000, -0.0022633900000000 ] - [ -0.0006625600000000, -0.0004330200000000, 0.0008573900000000 ] - [ -0.0001144900000000, -0.0006040600000000, 0.0012570200000000 ] - [ -0.0007162600000000, 0.0000326800000000, 0.0006715800000000 ] - [ 0.0004409400000000, -0.0010796100000000, 0.0025407000000000 ] - [ -0.0002692100000000, 0.0002682700000000, -0.0023980700000000 ] - [ -0.0130528900000000, 0.0035670000000000, -0.0026252400000000 ] - [ 0.0002751100000000, -0.0003578300000000, -0.0015664300000000 ] - [ -0.0015201800000000, -0.0002896900000000, -0.0007758800000000 ] - [ 0.0014003600000000, 0.0002141000000000, -0.0001998600000000 ] - [ -0.0018523800000000, 0.0026108700000000, -0.0015025400000000 ] - [ 0.0002301500000000, -0.0001506200000000, -0.0019369100000000 ] - [ -0.0006091800000000, -0.0006627500000000, -0.0000714600000000 ] - [ -0.0003765200000000, 0.0001708300000000, -0.0003221900000000 ] - [ 0.0002145800000000, 0.0003042100000000, 0.0015821300000000 ] - [ -0.0002710600000000, 0.0003197600000000, -0.0012820600000000 ] - [ 0.0001777400000000, 0.0007095800000000, -0.0015516100000000 ] - [ 0.0019924000000000, -0.0017346700000000, -0.0009598500000000 ] - [ 0.0011530900000000, 0.0014131800000000, -0.0011835400000000 ] - [ -0.0008720600000000, -0.0000098000000000, -0.0015487600000000 ] - [ 0.0000718700000000, -0.0008193500000000, -0.0025194200000000 ] - [ 0.0036098900000000, -0.0011229800000000, 0.0137237900000000 ] - [ 0.0023146500000000, -0.0027523600000000, -0.0048404400000000 ] - [ 0.0029718100000000, 0.0010512700000000, -0.0005300300000000 ] - [ -0.0090609600000000, 0.0127591600000000, 0.0071582300000000 ] - [ -0.0001496800000000, -0.0000134500000000, -0.0002298100000000 ] - [ 0.0043066800000000, 0.0006970500000000, 0.0013616600000000 ] - [ -0.0000090800000000, -0.0002322600000000, -0.0008866200000000 ] - [ 0.0001198500000000, -0.0003191400000000, -0.0007972300000000 ] - [ 0.0004126200000000, -0.0000369000000000, -0.0011170200000000 ] - [ 0.0002206600000000, 0.0017021600000000, 0.0024777000000000 ] - [ -0.0027755700000000, 0.0002840900000000, -0.0017199000000000 ] - [ -0.0011669600000000, -0.0004532100000000, -0.0010455300000000 ] - [ -0.0005269000000000, 0.0007212000000000, 0.0008966400000000 ] - [ -0.0007993600000000, 0.0009395100000000, 0.0011860100000000 ] - [ 0.0009866000000000, 0.0004080300000000, -0.0016554300000000 ] - [ -0.0003880100000000, 0.0009447000000000, -0.0017154200000000 ] - [ -0.0000330900000000, -0.0001253900000000, 0.0013133100000000 ] - [ 0.0006671100000000, -0.0000919500000000, 0.0000868100000000 ] - [ -0.0004207300000000, 0.0009462200000000, 0.0017011100000000 ] - [ -0.0000300000000000, -0.0002458200000000, -0.0004427200000000 ] - [ -0.0006759600000000, -0.0004980400000000, -0.0016170300000000 ] - [ -0.0002135300000000, 0.0003577800000000, -0.0008427000000000 ] - [ -0.0019280500000000, 0.0004124600000000, -0.0000749000000000 ] - [ 0.0005525100000000, -0.0002858000000000, -0.0000515100000000 ] - [ -0.0011613800000000, 0.0024905000000000, 0.0052272300000000 ] - [ 0.0040658300000000, -0.0020547800000000, -0.0254160300000000 ] - [ -0.0016197000000000, -0.0005601000000000, 0.0011293000000000 ] - [ -0.0312857000000000, 0.0059778200000000, -0.0301527900000000 ] - [ -0.0007366900000000, -0.0014269600000000, -0.0008824600000000 ] - [ 0.0000373600000000, -0.0003033400000000, 0.0002662600000000 ]- atom: 75 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0008362100000000, 0.0003529400000000, 0.0000345200000000 ] - [ 0.0002985300000000, 0.0002176300000000, -0.0004921200000000 ] - [ -0.0002187600000000, 0.0000001500000000, -0.0000448600000000 ] - [ -0.0004971800000000, 0.0000131100000000, -0.0002150900000000 ] - [ 0.0034237500000000, -0.0001323200000000, -0.0007686600000000 ] - [ 0.0020146300000000, 0.0014146100000000, 0.0008073600000000 ] - [ -0.0002119100000000, -0.0001277500000000, -0.0000357600000000 ] - [ -0.0004068300000000, -0.0001279600000000, 0.0002738000000000 ] - [ -0.0005434100000000, -0.0000354000000000, 0.0006565600000000 ] - [ 0.0006183300000000, -0.0004024600000000, 0.0000584600000000 ] - [ 0.0004514400000000, -0.0005500100000000, -0.0011022800000000 ] - [ 0.0002146800000000, 0.0000677300000000, -0.0000626300000000 ] - [ -0.0008261000000000, -0.0001809000000000, -0.0000602000000000 ] - [ 0.0003209100000000, 0.0005915500000000, 0.0008234000000000 ] - [ 0.0001918100000000, 0.0000898700000000, 0.0000780700000000 ] - [ -0.0003948100000000, 0.0000885000000000, 0.0002181400000000 ] - [ -0.0013396700000000, -0.0000616900000000, 0.0000635900000000 ] - [ -0.0014456300000000, -0.0001672100000000, -0.0009257500000000 ] - [ 0.0003704200000000, 0.0000015600000000, 0.0003527600000000 ] - [ 0.0005380300000000, 0.0000428100000000, 0.0000203200000000 ] - [ -0.0008665900000000, 0.0000587400000000, 0.0000410000000000 ] - [ -0.0001822200000000, -0.0000718800000000, -0.0001006500000000 ] - [ 0.0009165600000000, -0.0000108400000000, 0.0000379100000000 ] - [ 0.0003060600000000, 0.0001871100000000, -0.0003387700000000 ] - [ -0.0010818800000000, 0.0006217000000000, 0.0007287500000000 ] - [ -0.0007250400000000, -0.0038850600000000, 0.0048608100000000 ] - [ -0.0016974000000000, 0.0001021000000000, 0.0013804300000000 ] - [ 0.0001102600000000, 0.0043145400000000, -0.0059322800000000 ] - [ 0.0011781300000000, -0.0008964700000000, -0.0016143400000000 ] - [ -0.0011210100000000, -0.0005097100000000, 0.0001909200000000 ] - [ 0.0016034800000000, 0.0013295700000000, 0.0004922000000000 ] - [ -0.0016585600000000, -0.0000229600000000, -0.0005658600000000 ] - [ -0.0000129100000000, -0.0006080400000000, 0.0002877000000000 ] - [ 0.0001750700000000, -0.0000455800000000, -0.0000090500000000 ] - [ -0.0002685700000000, 0.0007304400000000, 0.0003978000000000 ] - [ -0.0013582200000000, -0.0001646900000000, -0.0005624400000000 ] - [ -0.0028977500000000, -0.0009664000000000, 0.0036056300000000 ] - [ 0.0001748100000000, 0.0000323600000000, -0.0007442200000000 ] - [ -0.0025857000000000, -0.0001226300000000, 0.0002114300000000 ] - [ 0.0008912500000000, 0.0006898500000000, -0.0000902900000000 ] - [ -0.0030628600000000, -0.0000861800000000, -0.0032250000000000 ] - [ -0.0017422100000000, 0.0006521300000000, -0.0000207000000000 ] - [ -0.0012329800000000, 0.0000645700000000, 0.0002433500000000 ] - [ 0.0531098000000000, -0.0014215100000000, -0.0012097900000000 ] - [ -0.0011901100000000, -0.0006610900000000, -0.0000677800000000 ] - [ -0.0009313300000000, 0.0011854800000000, 0.0010851900000000 ] - [ 0.0033591700000000, -0.0001574800000000, -0.0001914000000000 ] - [ 0.0018345000000000, 0.0016421400000000, -0.0000544100000000 ] - [ -0.0001228700000000, 0.0000893000000000, 0.0000854700000000 ] - [ 0.0000389300000000, -0.0001251900000000, 0.0000476400000000 ] - [ -0.0001019000000000, -0.0000861400000000, 0.0002476000000000 ] - [ -0.0002894000000000, 0.0000888300000000, 0.0002393000000000 ] - [ -0.0002001000000000, 0.0001210800000000, -0.0002490200000000 ] - [ -0.0000258300000000, 0.0000140500000000, -0.0000919500000000 ] - [ -0.0009805700000000, 0.0006862000000000, 0.0007071300000000 ] - [ 0.0154521300000000, -0.0035187900000000, 0.0009350700000000 ] - [ -0.0007639800000000, -0.0000117000000000, 0.0005125900000000 ] - [ 0.0001543400000000, 0.0001249200000000, -0.0000547900000000 ] - [ -0.0001024300000000, -0.0000564000000000, -0.0001656500000000 ] - [ -0.0001046600000000, 0.0001643800000000, 0.0000345800000000 ] - [ -0.0000968800000000, -0.0001524000000000, -0.0004721600000000 ] - [ -0.0003561600000000, -0.0002177900000000, 0.0000867500000000 ] - [ -0.0000307800000000, 0.0001368900000000, 0.0001659000000000 ] - [ 0.0009980700000000, -0.0001322000000000, -0.0003154500000000 ] - [ -0.0005573700000000, 0.0002154400000000, 0.0004336200000000 ] - [ -0.0000458900000000, 0.0000771400000000, -0.0001441400000000 ] - [ -0.0130833300000000, 0.0009483200000000, 0.0003507500000000 ] - [ 0.0008678800000000, -0.0000459500000000, -0.0002266300000000 ] - [ 0.0014806400000000, 0.0002021700000000, 0.0006102800000000 ] - [ 0.0009554200000000, 0.0007234700000000, -0.0003457800000000 ] - [ 0.0001418800000000, 0.0005355200000000, 0.0003866500000000 ] - [ 0.0009976500000000, -0.0003147000000000, 0.0004554800000000 ] - [ 0.0009371300000000, -0.0003461700000000, -0.0002457600000000 ] - [ -0.0006752700000000, -0.0004652000000000, 0.0001580300000000 ] - [ -0.0569952300000000, 0.0047640900000000, -0.0038146800000000 ] - [ 0.0013119600000000, 0.0005910100000000, 0.0027248300000000 ] - [ 0.0006464200000000, 0.0002474900000000, -0.0007149100000000 ] - [ -0.0079418700000000, -0.0030996700000000, 0.0031601400000000 ] - [ -0.0021585700000000, -0.0015164200000000, 0.0000310800000000 ] - [ 0.0001779400000000, 0.0000729400000000, -0.0004967700000000 ] - [ 0.0004809000000000, -0.0003355100000000, 0.0001912200000000 ] - [ -0.0020525400000000, 0.0006120200000000, 0.0021723600000000 ] - [ 0.0000602000000000, -0.0003862100000000, -0.0001318000000000 ] - [ 0.0001259000000000, -0.0004994600000000, -0.0000279800000000 ] - [ 0.0004675100000000, 0.0007647700000000, 0.0001795400000000 ] - [ -0.0001261000000000, 0.0003614900000000, 0.0002183500000000 ] - [ 0.0014550000000000, -0.0108882500000000, 0.0265711100000000 ] - [ 0.0011769200000000, -0.0001984800000000, 0.0009641000000000 ] - [ -0.0019578600000000, 0.0001283700000000, 0.0000826600000000 ] - [ 0.0003823900000000, -0.0001437900000000, 0.0000622900000000 ] - [ 0.0001558400000000, -0.0007363300000000, -0.0004055600000000 ] - [ 0.0014055400000000, 0.0002046600000000, -0.0010106800000000 ] - [ 0.0000917900000000, -0.0005438400000000, -0.0003313900000000 ] - [ -0.0010225100000000, -0.0004227300000000, -0.0023243000000000 ] - [ -0.0001298100000000, -0.0003244800000000, 0.0003278100000000 ] - [ 0.0003361600000000, 0.0004074200000000, -0.0005099700000000 ] - [ 0.0008140800000000, 0.0000184200000000, -0.0002536200000000 ] - [ -0.0008325700000000, -0.0007752300000000, 0.0005069000000000 ] - [ -0.0005428300000000, 0.0002272200000000, 0.0001767000000000 ] - [ 0.0010050700000000, 0.0003139800000000, 0.0001801500000000 ] - [ -0.0003193700000000, 0.0004675600000000, -0.0002924800000000 ] - [ 0.0004807600000000, 0.0004967200000000, 0.0003276100000000 ] - [ -0.0000861500000000, 0.0007475500000000, -0.0003871900000000 ] - [ 0.0009641100000000, 0.0000745000000000, 0.0004663000000000 ] - [ 0.0009136300000000, -0.0004785600000000, 0.0003019100000000 ] - [ 0.0001668300000000, 0.0004770800000000, -0.0001496100000000 ] - [ 0.0017487800000000, 0.0004704000000000, -0.0001877400000000 ] - [ 0.0001916200000000, -0.0004860700000000, 0.0003685200000000 ] - [ 0.0024413500000000, -0.0008202100000000, 0.0015811800000000 ] - [ 0.0005470500000000, -0.0004268300000000, -0.0001620100000000 ] - [ -0.0013101900000000, 0.0000075200000000, 0.0003162300000000 ] - [ 0.0007829300000000, 0.0003727100000000, 0.0005625000000000 ] - [ -0.0005198900000000, 0.0000456900000000, -0.0000200200000000 ] - [ -0.0001543800000000, -0.0002701700000000, 0.0000594000000000 ] - [ 0.0001517700000000, 0.0001725800000000, 0.0001547600000000 ] - [ 0.0008259500000000, -0.0003863200000000, -0.0008175200000000 ] - [ 0.0011660900000000, -0.0002062300000000, -0.0012533200000000 ] - [ 0.0012760500000000, -0.0006817500000000, -0.0031300600000000 ] - [ 0.0005177100000000, 0.0006043400000000, -0.0002680800000000 ] - [ 0.0001899500000000, -0.0006490900000000, 0.0006535600000000 ] - [ 0.0005328800000000, 0.0000080000000000, 0.0004276900000000 ] - [ 0.0001311700000000, 0.0004244300000000, 0.0001708200000000 ] - [ 0.0014078100000000, -0.0002409200000000, 0.0011303400000000 ] - [ 0.0001538100000000, -0.0001846400000000, 0.0002350400000000 ] - [ -0.0002793400000000, 0.0004730700000000, -0.0004966700000000 ] - [ -0.0002821400000000, -0.0004630600000000, -0.0001158400000000 ] - [ 0.0002509000000000, 0.0001525900000000, 0.0004246700000000 ] - [ -0.0006906500000000, 0.0003489900000000, -0.0001252700000000 ] - [ 0.0025782600000000, 0.0001941000000000, -0.0018354700000000 ] - [ -0.0007103500000000, 0.0003948800000000, 0.0000640100000000 ] - [ 0.0013637400000000, -0.0004676200000000, -0.0003729400000000 ] - [ 0.0007850900000000, -0.0006252900000000, -0.0005649300000000 ] - [ 0.0013383700000000, 0.0107144800000000, -0.0254555400000000 ] - [ 0.0010732700000000, 0.0003585500000000, 0.0001983700000000 ] - [ 0.0005964200000000, -0.0008764200000000, -0.0006835400000000 ] - [ -0.0018099900000000, -0.0003160800000000, -0.0003135800000000 ]- atom: 75 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0008334000000000, -0.0000844300000000, -0.0000357400000000 ] - [ -0.0003070100000000, -0.0002212200000000, 0.0004894200000000 ] - [ 0.0002166400000000, -0.0000005000000000, -0.0000812200000000 ] - [ 0.0004974600000000, -0.0000133800000000, 0.0002132100000000 ] - [ -0.0036206700000000, -0.0003286300000000, 0.0007557600000000 ] - [ -0.0019246800000000, -0.0015223200000000, -0.0006884800000000 ] - [ 0.0002121600000000, -0.0001381000000000, 0.0000364800000000 ] - [ 0.0004062400000000, 0.0001274600000000, -0.0002712600000000 ] - [ 0.0005426700000000, 0.0000353000000000, 0.0001940200000000 ] - [ -0.0006088400000000, 0.0003983700000000, -0.0009124600000000 ] - [ -0.0004368100000000, 0.0005502100000000, 0.0002552900000000 ] - [ -0.0002119900000000, -0.0000675600000000, 0.0001911800000000 ] - [ 0.0008260300000000, 0.0001827300000000, -0.0000675800000000 ] - [ -0.0003375600000000, -0.0005908900000000, -0.0008205100000000 ] - [ -0.0001939200000000, 0.0001756800000000, -0.0000766500000000 ] - [ 0.0003939500000000, -0.0000891100000000, 0.0006370500000000 ] - [ 0.0002976100000000, -0.0000573200000000, 0.0000415900000000 ] - [ 0.0024824500000000, 0.0000489600000000, 0.0008096600000000 ] - [ 0.0006670900000000, -0.0001207300000000, -0.0002476600000000 ] - [ 0.0005045700000000, 0.0000763900000000, -0.0001231700000000 ] - [ -0.0001750200000000, 0.0000616900000000, 0.0000624300000000 ] - [ -0.0008590000000000, -0.0000492200000000, -0.0000013500000000 ] - [ -0.0019586100000000, 0.0001501200000000, -0.0001532700000000 ] - [ 0.0007311900000000, -0.0000684900000000, 0.0004451300000000 ] - [ 0.0010817700000000, -0.0006186400000000, -0.0007215700000000 ] - [ 0.0007123800000000, 0.0038656700000000, -0.0048510200000000 ] - [ 0.0016921600000000, -0.0001016900000000, 0.0003272100000000 ] - [ -0.0001002500000000, -0.0043294800000000, 0.0042247000000000 ] - [ -0.0011869500000000, 0.0009095400000000, 0.0016175900000000 ] - [ 0.0011184800000000, 0.0005117900000000, 0.0015282600000000 ] - [ -0.0015931400000000, -0.0013161700000000, -0.0022019300000000 ] - [ 0.0016613500000000, 0.0000234500000000, 0.0005601000000000 ] - [ 0.0000908500000000, -0.0006651200000000, -0.0002010800000000 ] - [ 0.0005872300000000, -0.0001047200000000, 0.0005227700000000 ] - [ 0.0003355600000000, 0.0005423100000000, -0.0004768100000000 ] - [ 0.0014402700000000, 0.0014296900000000, 0.0006272100000000 ] - [ 0.0036525000000000, 0.0008122200000000, -0.0040773700000000 ] - [ 0.0005986700000000, 0.0001167600000000, 0.0002363700000000 ] - [ 0.0018166600000000, -0.0000273500000000, 0.0002909900000000 ] - [ -0.0009636400000000, 0.0005870900000000, 0.0001725100000000 ] - [ 0.0031474500000000, -0.0011892900000000, 0.0031772700000000 ] - [ 0.0016651200000000, 0.0006183800000000, -0.0000598300000000 ] - [ 0.0004653800000000, 0.0000847100000000, 0.0002692700000000 ] - [ -0.0531524500000000, -0.0001932700000000, -0.0000240100000000 ] - [ 0.0011151500000000, -0.0006102000000000, -0.0000122800000000 ] - [ 0.0016870800000000, -0.0010484700000000, -0.0005897900000000 ] - [ -0.0041235500000000, 0.0000005800000000, -0.0003080100000000 ] - [ -0.0026002400000000, -0.0013711100000000, -0.0004195200000000 ] - [ 0.0003223700000000, 0.0001827000000000, -0.0000046400000000 ] - [ 0.0001605100000000, -0.0001459100000000, 0.0000352100000000 ] - [ 0.0001863000000000, -0.0000859400000000, 0.0002344600000000 ] - [ 0.0003737900000000, 0.0000831600000000, 0.0002416100000000 ] - [ 0.0002845700000000, 0.0000523000000000, -0.0002276100000000 ] - [ -0.0000574400000000, 0.0001577400000000, -0.0003888400000000 ] - [ 0.0007891000000000, -0.0009694500000000, -0.0006367500000000 ] - [ -0.0150854500000000, 0.0022846500000000, -0.0006842400000000 ] - [ 0.0006773700000000, -0.0001589300000000, -0.0000345200000000 ] - [ 0.0000456200000000, 0.0001521800000000, -0.0000223800000000 ] - [ -0.0000972900000000, -0.0002165700000000, 0.0000854300000000 ] - [ -0.0000959500000000, 0.0001063700000000, 0.0000486300000000 ] - [ 0.0000127100000000, -0.0000195000000000, -0.0000092500000000 ] - [ 0.0001541700000000, 0.0004838200000000, -0.0001697900000000 ] - [ -0.0000554600000000, 0.0000347200000000, 0.0003157900000000 ] - [ -0.0009132000000000, -0.0000428700000000, -0.0001583600000000 ] - [ -0.0002998000000000, 0.0002670400000000, -0.0005410400000000 ] - [ 0.0000537800000000, -0.0003329300000000, 0.0006840800000000 ] - [ 0.0121253600000000, 0.0005401000000000, 0.0003202600000000 ] - [ -0.0008503400000000, -0.0000252100000000, -0.0002466100000000 ] - [ -0.0015103900000000, -0.0010222700000000, -0.0012184100000000 ] - [ -0.0009285300000000, 0.0000938500000000, -0.0002568400000000 ] - [ 0.0000283600000000, 0.0004353600000000, -0.0000983100000000 ] - [ -0.0015610000000000, 0.0002519800000000, 0.0000007600000000 ] - [ -0.0000781900000000, -0.0001363600000000, 0.0001395400000000 ] - [ 0.0005015600000000, -0.0005049500000000, 0.0001211200000000 ] - [ 0.0567471200000000, -0.0037549200000000, 0.0035705300000000 ] - [ -0.0013129500000000, -0.0003420000000000, -0.0022062600000000 ] - [ -0.0004728000000000, -0.0012119300000000, 0.0009983800000000 ] - [ 0.0077930900000000, 0.0038466600000000, -0.0026998900000000 ] - [ 0.0015780800000000, 0.0015536500000000, -0.0004782100000000 ] - [ -0.0001769500000000, 0.0001851500000000, -0.0000482800000000 ] - [ -0.0000919900000000, -0.0003316600000000, 0.0001688900000000 ] - [ 0.0014849000000000, -0.0006693100000000, -0.0026275000000000 ] - [ -0.0000817700000000, 0.0003132100000000, 0.0006052700000000 ] - [ 0.0000485800000000, -0.0004707600000000, -0.0002638200000000 ] - [ 0.0004912100000000, 0.0007264900000000, 0.0006082200000000 ] - [ -0.0002613000000000, 0.0003058800000000, 0.0001411000000000 ] - [ -0.0013569900000000, 0.0099914000000000, -0.0257211900000000 ] - [ -0.0002200500000000, -0.0012894900000000, -0.0001659400000000 ] - [ 0.0019740400000000, -0.0002095800000000, 0.0003922600000000 ] - [ -0.0007706200000000, -0.0005254200000000, 0.0003043900000000 ] - [ -0.0011164600000000, -0.0007533000000000, -0.0003849500000000 ] - [ -0.0014162600000000, -0.0001336200000000, 0.0005373300000000 ] - [ 0.0000546800000000, -0.0004219200000000, -0.0003840700000000 ] - [ 0.0018816400000000, 0.0009070300000000, 0.0024224400000000 ] - [ -0.0007329800000000, -0.0001582500000000, -0.0002221500000000 ] - [ -0.0003584000000000, 0.0004078800000000, -0.0000895200000000 ] - [ -0.0007960400000000, 0.0000514300000000, -0.0002233300000000 ] - [ -0.0001291600000000, -0.0007167100000000, 0.0002868900000000 ] - [ 0.0005645400000000, 0.0005869800000000, 0.0004234800000000 ] - [ -0.0010029000000000, -0.0005700300000000, -0.0007180600000000 ] - [ 0.0001705900000000, 0.0004946000000000, -0.0004231900000000 ] - [ -0.0006285900000000, 0.0004694500000000, 0.0003857500000000 ] - [ -0.0008745100000000, 0.0007427800000000, -0.0004017100000000 ] - [ -0.0000019100000000, 0.0014221200000000, -0.0012632600000000 ] - [ -0.0009168500000000, 0.0002211300000000, 0.0002382200000000 ] - [ -0.0003399700000000, 0.0004934000000000, -0.0001419400000000 ] - [ -0.0008891700000000, 0.0000108500000000, 0.0000874700000000 ] - [ -0.0003396200000000, -0.0004801500000000, 0.0003433200000000 ] - [ -0.0023203300000000, -0.0001416700000000, -0.0008775600000000 ] - [ -0.0007203400000000, -0.0005436800000000, -0.0001254100000000 ] - [ 0.0013263500000000, 0.0000610600000000, 0.0001561000000000 ] - [ -0.0007877000000000, -0.0001157700000000, -0.0000204900000000 ] - [ 0.0005175500000000, -0.0003047900000000, -0.0005212800000000 ] - [ -0.0002365300000000, -0.0003968600000000, -0.0004216100000000 ] - [ -0.0001654200000000, -0.0002450000000000, -0.0006314100000000 ] - [ -0.0006527900000000, 0.0013669600000000, 0.0005377600000000 ] - [ -0.0020216800000000, 0.0006865100000000, 0.0013482500000000 ] - [ -0.0007107000000000, 0.0006129300000000, 0.0026513700000000 ] - [ -0.0003704300000000, 0.0003644600000000, -0.0004376800000000 ] - [ -0.0002267800000000, 0.0014678700000000, -0.0000461000000000 ] - [ 0.0000347800000000, -0.0000681600000000, 0.0000210000000000 ] - [ 0.0000177500000000, 0.0005416700000000, 0.0005396200000000 ] - [ -0.0014303700000000, 0.0003118900000000, -0.0006538800000000 ] - [ 0.0004051400000000, 0.0002463000000000, -0.0006887100000000 ] - [ -0.0005677900000000, -0.0009527400000000, 0.0003988800000000 ] - [ 0.0002539600000000, -0.0003539400000000, 0.0007136000000000 ] - [ -0.0008149700000000, -0.0000914800000000, 0.0000257700000000 ] - [ 0.0010785800000000, 0.0003208600000000, -0.0002424200000000 ] - [ -0.0029379200000000, 0.0004666500000000, 0.0014618900000000 ] - [ 0.0015837500000000, -0.0009017900000000, 0.0000463100000000 ] - [ -0.0007966100000000, 0.0005312200000000, 0.0008290100000000 ] - [ -0.0007590700000000, -0.0001921200000000, -0.0000358000000000 ] - [ -0.0013891000000000, -0.0105382000000000, 0.0251274900000000 ] - [ -0.0006837200000000, 0.0003091300000000, 0.0001671700000000 ] - [ 0.0003673800000000, -0.0006155100000000, -0.0001065500000000 ] - [ 0.0021990300000000, -0.0003636300000000, -0.0000581800000000 ]- atom: 75 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001032700000000, 0.0000085200000000, -0.0002042300000000 ] - [ 0.0016749800000000, 0.0005581400000000, 0.0014532300000000 ] - [ 0.0000446100000000, -0.0000067500000000, 0.0001308100000000 ] - [ 0.0000668600000000, 0.0000740300000000, 0.0000489500000000 ] - [ 0.0000385500000000, 0.0010415800000000, -0.0019638800000000 ] - [ 0.0013252500000000, -0.0006887600000000, -0.0017935700000000 ] - [ -0.0000187300000000, -0.0001383100000000, 0.0001986900000000 ] - [ -0.0001313700000000, 0.0000350200000000, -0.0000106800000000 ] - [ -0.0000452300000000, 0.0000719600000000, 0.0004392400000000 ] - [ -0.0019830200000000, 0.0006247900000000, 0.0008717800000000 ] - [ -0.0011913600000000, 0.0007384100000000, -0.0008063400000000 ] - [ -0.0000587100000000, -0.0001626700000000, 0.0005034300000000 ] - [ -0.0000735300000000, -0.0000495200000000, -0.0002874900000000 ] - [ 0.0012213900000000, 0.0008379000000000, -0.0003284900000000 ] - [ 0.0000651200000000, -0.0000269100000000, 0.0004378000000000 ] - [ 0.0001651700000000, 0.0000155900000000, 0.0004610300000000 ] - [ -0.0004785700000000, -0.0000386600000000, -0.0001041500000000 ] - [ 0.0018582600000000, 0.0006086100000000, -0.0004345200000000 ] - [ 0.0003861000000000, 0.0000828700000000, 0.0004943200000000 ] - [ 0.0002678000000000, 0.0000485800000000, 0.0002014800000000 ] - [ -0.0005134100000000, 0.0000532100000000, 0.0001907000000000 ] - [ -0.0005250200000000, 0.0002559500000000, 0.0005105500000000 ] - [ -0.0004443100000000, -0.0038728700000000, 0.0000227300000000 ] - [ 0.0013700800000000, -0.0000962700000000, -0.0003410500000000 ] - [ -0.0003860600000000, -0.0001928600000000, -0.0001461600000000 ] - [ -0.0014873200000000, -0.0051013600000000, 0.0042367500000000 ] - [ -0.0007520400000000, -0.0004124600000000, 0.0009978900000000 ] - [ 0.0010182800000000, -0.0050158200000000, 0.0033477500000000 ] - [ 0.0011372400000000, -0.0018844700000000, 0.0010061100000000 ] - [ 0.0004884800000000, -0.0001207900000000, 0.0007527500000000 ] - [ -0.0013002000000000, -0.0018233600000000, -0.0000414200000000 ] - [ 0.0007879400000000, -0.0003965900000000, 0.0000822600000000 ] - [ -0.0005046000000000, -0.0004379800000000, 0.0007969000000000 ] - [ 0.0009464000000000, 0.0000531400000000, 0.0010365800000000 ] - [ -0.0000022400000000, 0.0004023100000000, 0.0007517700000000 ] - [ 0.0003292800000000, -0.0003494900000000, -0.0011600700000000 ] - [ 0.0001970600000000, 0.0016550800000000, -0.0021724300000000 ] - [ 0.0003785800000000, -0.0001047800000000, 0.0004973900000000 ] - [ -0.0002960100000000, 0.0001456600000000, -0.0001925700000000 ] - [ -0.0001815600000000, -0.0005753900000000, 0.0019827100000000 ] - [ 0.0004108000000000, 0.0007644100000000, -0.0016302700000000 ] - [ 0.0000374100000000, 0.0006970500000000, -0.0005454700000000 ] - [ -0.0003495600000000, 0.0001434000000000, 0.0006607000000000 ] - [ -0.0009942100000000, 0.0674806500000000, 0.0048828800000000 ] - [ -0.0000054300000000, -0.0004239900000000, 0.0004814400000000 ] - [ 0.0002256500000000, -0.0006747000000000, -0.0005484300000000 ] - [ -0.0002727200000000, 0.0023925800000000, 0.0013286400000000 ] - [ -0.0003853100000000, -0.0294247000000000, -0.0127778300000000 ] - [ 0.0001120700000000, 0.0003306400000000, -0.0002028100000000 ] - [ 0.0000927900000000, 0.0000505700000000, 0.0002719000000000 ] - [ 0.0000501600000000, -0.0000914400000000, 0.0002545200000000 ] - [ 0.0000506800000000, 0.0000717300000000, 0.0002251800000000 ] - [ 0.0000446100000000, -0.0002406300000000, -0.0004924500000000 ] - [ -0.0004111200000000, 0.0000775100000000, -0.0002799000000000 ] - [ -0.0000270800000000, 0.0000290200000000, -0.0002235300000000 ] - [ -0.0024325100000000, 0.0693507000000000, -0.0104898700000000 ] - [ -0.0008953600000000, 0.0002261700000000, 0.0002210600000000 ] - [ 0.0001185400000000, 0.0004143000000000, 0.0005090900000000 ] - [ -0.0001137900000000, -0.0003431100000000, 0.0003103400000000 ] - [ -0.0000300500000000, -0.0001605900000000, 0.0004247800000000 ] - [ 0.0000266400000000, 0.0000705900000000, -0.0000183200000000 ] - [ -0.0004730700000000, -0.0002545300000000, -0.0005883400000000 ] - [ 0.0000923800000000, 0.0001087300000000, 0.0003469500000000 ] - [ -0.0000159200000000, 0.0014718400000000, -0.0006791100000000 ] - [ -0.0009346800000000, 0.0003208800000000, -0.0004169400000000 ] - [ 0.0001782200000000, 0.0003086400000000, -0.0001918400000000 ] - [ -0.0006195800000000, 0.0038412600000000, 0.0299598800000000 ] - [ -0.0000128900000000, 0.0000048400000000, -0.0002820600000000 ] - [ -0.0001032000000000, -0.0005191000000000, -0.0000303100000000 ] - [ -0.0001838200000000, 0.0003501600000000, -0.0000968200000000 ] - [ 0.0001286200000000, 0.0005599100000000, -0.0001532300000000 ] - [ -0.0000667500000000, -0.0001409100000000, 0.0004180000000000 ] - [ 0.0005788100000000, -0.0002958800000000, -0.0002011900000000 ] - [ -0.0001437500000000, -0.0015690800000000, 0.0005090300000000 ] - [ 0.0044245800000000, -0.1787865900000000, 0.0750533100000000 ] - [ 0.0000047700000000, 0.0001463400000000, 0.0016659400000000 ] - [ 0.0008184800000000, -0.0010741800000000, 0.0007277700000000 ] - [ -0.0031896700000000, 0.0523033100000000, -0.0478330100000000 ] - [ 0.0033623800000000, 0.0065730300000000, -0.0004861200000000 ] - [ 0.0002137200000000, 0.0000954000000000, -0.0003540900000000 ] - [ 0.0001845800000000, -0.0003019100000000, -0.0001161600000000 ] - [ 0.0005894700000000, -0.0008832100000000, -0.0025181800000000 ] - [ 0.0007317600000000, 0.0002048900000000, 0.0001050000000000 ] - [ -0.0001488800000000, -0.0004526400000000, -0.0005472800000000 ] - [ 0.0007968500000000, 0.0005625600000000, 0.0001017500000000 ] - [ -0.0002512000000000, 0.0002426100000000, -0.0003916200000000 ] - [ -0.0117930700000000, -0.0019732900000000, -0.0228006400000000 ] - [ 0.0005506400000000, -0.0008646400000000, 0.0006315100000000 ] - [ -0.0000403600000000, 0.0020025500000000, -0.0003898400000000 ] - [ -0.0001200700000000, 0.0001608600000000, 0.0008795500000000 ] - [ -0.0005159600000000, -0.0007465700000000, -0.0002628100000000 ] - [ 0.0019193500000000, 0.0005232300000000, -0.0010194700000000 ] - [ 0.0001361100000000, -0.0004251500000000, -0.0009784100000000 ] - [ -0.0002554900000000, -0.0006884900000000, -0.0024557000000000 ] - [ -0.0004139000000000, 0.0000066000000000, -0.0002730600000000 ] - [ -0.0000181200000000, 0.0006110100000000, -0.0006015600000000 ] - [ -0.0000306900000000, 0.0000430800000000, -0.0001942000000000 ] - [ -0.0004030400000000, -0.0003329900000000, -0.0013195800000000 ] - [ 0.0002697000000000, 0.0006687800000000, -0.0003373500000000 ] - [ -0.0001367100000000, 0.0000941900000000, -0.0000151500000000 ] - [ -0.0000618800000000, 0.0006386800000000, -0.0015318800000000 ] - [ -0.0000887000000000, 0.0003923200000000, 0.0007647800000000 ] - [ -0.0004887200000000, 0.0007015000000000, -0.0005237000000000 ] - [ -0.0003033400000000, 0.0000334100000000, -0.0000201500000000 ] - [ 0.0001073400000000, -0.0001552600000000, 0.0004539900000000 ] - [ -0.0000892000000000, 0.0003749000000000, -0.0003371000000000 ] - [ 0.0001285700000000, 0.0001295800000000, 0.0001268500000000 ] - [ -0.0000778700000000, -0.0006035600000000, -0.0000694400000000 ] - [ 0.0004134500000000, -0.0009932200000000, 0.0014977500000000 ] - [ -0.0001101700000000, -0.0006703300000000, 0.0000450100000000 ] - [ 0.0000681000000000, -0.0000466900000000, 0.0001245100000000 ] - [ -0.0002632200000000, -0.0000050300000000, -0.0000093200000000 ] - [ -0.0000907500000000, 0.0001309600000000, -0.0009977500000000 ] - [ -0.0001268600000000, -0.0003743200000000, -0.0006932100000000 ] - [ -0.0007453500000000, 0.0001800800000000, -0.0004295200000000 ] - [ -0.0001056500000000, 0.0005334800000000, 0.0001794800000000 ] - [ -0.0005214500000000, 0.0001886700000000, 0.0004971200000000 ] - [ 0.0003911600000000, -0.0002341600000000, 0.0012991200000000 ] - [ 0.0001964300000000, 0.0010509500000000, 0.0005740900000000 ] - [ -0.0004516700000000, 0.0022402100000000, 0.0005659800000000 ] - [ 0.0000804400000000, -0.0000179100000000, 0.0001031200000000 ] - [ 0.0000166900000000, 0.0006444000000000, -0.0002800800000000 ] - [ -0.0018388200000000, 0.0005687500000000, -0.0006247000000000 ] - [ 0.0001412900000000, 0.0005046000000000, -0.0006943800000000 ] - [ -0.0001269500000000, 0.0014008600000000, 0.0002172800000000 ] - [ 0.0004293900000000, -0.0002624600000000, 0.0000317800000000 ] - [ -0.0004745300000000, -0.0000383600000000, 0.0000647100000000 ] - [ 0.0001888900000000, 0.0000973400000000, -0.0014369700000000 ] - [ -0.0010607400000000, -0.0004137100000000, 0.0012547700000000 ] - [ -0.0033107300000000, 0.0063951100000000, -0.0004733500000000 ] - [ 0.0003281900000000, 0.0002449400000000, 0.0004692500000000 ] - [ 0.0002099800000000, -0.0005261700000000, -0.0005899300000000 ] - [ 0.0127775900000000, -0.0005295000000000, -0.0240944900000000 ] - [ 0.0001458800000000, 0.0003423300000000, 0.0005023800000000 ] - [ 0.0004417000000000, -0.0008289800000000, -0.0005751100000000 ] - [ 0.0004122200000000, 0.0104555600000000, 0.0059163000000000 ]- atom: 75 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001049100000000, 0.0002575800000000, 0.0002008000000000 ] - [ -0.0016697400000000, -0.0005574000000000, -0.0014470200000000 ] - [ -0.0000456800000000, 0.0000065700000000, -0.0002544100000000 ] - [ -0.0000652700000000, -0.0000735500000000, -0.0000494200000000 ] - [ -0.0002071900000000, -0.0014371800000000, 0.0019398600000000 ] - [ -0.0012107600000000, 0.0005617100000000, 0.0018969200000000 ] - [ 0.0000189100000000, -0.0001269700000000, -0.0001959600000000 ] - [ 0.0001296000000000, -0.0000351700000000, 0.0000121400000000 ] - [ 0.0000441400000000, -0.0000714000000000, 0.0004118000000000 ] - [ 0.0019763500000000, -0.0006250600000000, -0.0017168100000000 ] - [ 0.0011986600000000, -0.0007335300000000, -0.0000380100000000 ] - [ 0.0000605700000000, 0.0001617800000000, -0.0003708600000000 ] - [ 0.0000733400000000, 0.0000492300000000, 0.0001582200000000 ] - [ -0.0012306900000000, -0.0008324100000000, 0.0003346600000000 ] - [ -0.0000660800000000, 0.0002911500000000, -0.0004320300000000 ] - [ -0.0001641200000000, -0.0000158700000000, 0.0003926100000000 ] - [ -0.0005637300000000, -0.0000791000000000, 0.0002079100000000 ] - [ -0.0008038300000000, -0.0007244200000000, 0.0003211300000000 ] - [ 0.0006517800000000, -0.0001993500000000, -0.0003843700000000 ] - [ 0.0007722600000000, 0.0000693200000000, -0.0003027100000000 ] - [ -0.0005281000000000, 0.0000657500000000, -0.0000843500000000 ] - [ -0.0005161400000000, -0.0003741200000000, -0.0006066000000000 ] - [ -0.0005970900000000, 0.0040006100000000, -0.0001548800000000 ] - [ -0.0003233300000000, 0.0002149500000000, 0.0004445500000000 ] - [ 0.0003805200000000, 0.0001941500000000, 0.0001503100000000 ] - [ 0.0014510500000000, 0.0050531700000000, -0.0041915200000000 ] - [ 0.0007427700000000, 0.0004100000000000, 0.0007116700000000 ] - [ -0.0009894400000000, 0.0049631800000000, -0.0050141200000000 ] - [ -0.0011241100000000, 0.0018843300000000, -0.0009897800000000 ] - [ -0.0004850800000000, 0.0001213400000000, 0.0009620400000000 ] - [ 0.0012884400000000, 0.0018245600000000, -0.0016508000000000 ] - [ -0.0007787200000000, 0.0003937600000000, -0.0000849700000000 ] - [ 0.0005755700000000, -0.0008374100000000, -0.0007026500000000 ] - [ -0.0001773100000000, -0.0002030600000000, -0.0005122700000000 ] - [ 0.0000706300000000, 0.0008707700000000, -0.0008222600000000 ] - [ -0.0002457300000000, 0.0016239200000000, 0.0012125600000000 ] - [ 0.0005420900000000, -0.0018069300000000, 0.0016480200000000 ] - [ 0.0003936700000000, 0.0002525200000000, -0.0009992500000000 ] - [ -0.0004697600000000, -0.0002935400000000, 0.0006958000000000 ] - [ 0.0001070600000000, 0.0018479400000000, -0.0018807500000000 ] - [ -0.0003157300000000, -0.0020433500000000, 0.0015362100000000 ] - [ -0.0001142100000000, 0.0005776700000000, 0.0004594200000000 ] - [ -0.0004157800000000, 0.0000066700000000, -0.0001415300000000 ] - [ 0.0009065300000000, -0.0689430700000000, -0.0068448500000000 ] - [ -0.0000695500000000, -0.0008481500000000, -0.0005552800000000 ] - [ 0.0005301100000000, 0.0008247100000000, 0.0010361500000000 ] - [ -0.0004927100000000, -0.0025298500000000, -0.0018167900000000 ] - [ -0.0003758600000000, 0.0295758600000000, 0.0122997200000000 ] - [ 0.0000878800000000, -0.0000561600000000, 0.0002812500000000 ] - [ 0.0001069100000000, -0.0003200000000000, -0.0001869100000000 ] - [ 0.0000346600000000, -0.0000792900000000, 0.0002256800000000 ] - [ 0.0000342200000000, 0.0000988700000000, 0.0002538500000000 ] - [ 0.0000399700000000, 0.0004119300000000, 0.0000163100000000 ] - [ 0.0003235400000000, 0.0000935700000000, -0.0001992500000000 ] - [ -0.0001740500000000, -0.0003059000000000, 0.0002961400000000 ] - [ 0.0023003300000000, -0.0657026100000000, 0.0062733100000000 ] - [ 0.0008040600000000, -0.0003945200000000, 0.0002579500000000 ] - [ 0.0000818800000000, -0.0001339300000000, -0.0005805000000000 ] - [ -0.0000859000000000, 0.0000673300000000, -0.0003865800000000 ] - [ -0.0001695400000000, 0.0004286800000000, -0.0003377200000000 ] - [ -0.0001107400000000, -0.0002397100000000, -0.0004596500000000 ] - [ 0.0002709100000000, 0.0005211500000000, 0.0005001800000000 ] - [ -0.0001768300000000, 0.0000622400000000, 0.0001339900000000 ] - [ 0.0001017900000000, -0.0016367400000000, 0.0002208800000000 ] - [ 0.0000706800000000, 0.0001612300000000, 0.0003069800000000 ] - [ -0.0001646000000000, -0.0005574600000000, 0.0007236500000000 ] - [ -0.0003406400000000, -0.0022813700000000, -0.0288072700000000 ] - [ 0.0000304900000000, -0.0000728200000000, -0.0001919600000000 ] - [ 0.0000688500000000, -0.0003010000000000, -0.0005718700000000 ] - [ 0.0002112400000000, 0.0004690300000000, -0.0005056200000000 ] - [ 0.0000422800000000, 0.0004072300000000, 0.0004401300000000 ] - [ -0.0004928800000000, 0.0000749800000000, 0.0000418000000000 ] - [ 0.0002819200000000, -0.0001848400000000, 0.0000960300000000 ] - [ -0.0000298700000000, 0.0005961500000000, -0.0002245000000000 ] - [ -0.0041040100000000, 0.1736837800000000, -0.0692494600000000 ] - [ -0.0000154300000000, 0.0001122400000000, -0.0011299400000000 ] - [ -0.0006402200000000, 0.0001119000000000, -0.0004313000000000 ] - [ 0.0029721900000000, -0.0510266800000000, 0.0474347600000000 ] - [ -0.0039095600000000, -0.0064988700000000, 0.0000204300000000 ] - [ -0.0002059200000000, 0.0001588600000000, -0.0001876400000000 ] - [ 0.0002040600000000, -0.0003638500000000, 0.0004690700000000 ] - [ -0.0011482400000000, 0.0008118300000000, 0.0020398700000000 ] - [ -0.0007434400000000, -0.0002733100000000, 0.0003662400000000 ] - [ 0.0003205800000000, -0.0005117200000000, 0.0002504000000000 ] - [ 0.0001653400000000, 0.0009349800000000, 0.0006866700000000 ] - [ -0.0001366900000000, 0.0004229500000000, 0.0007410200000000 ] - [ 0.0118873500000000, 0.0013420900000000, 0.0233717400000000 ] - [ 0.0004036300000000, -0.0006366900000000, 0.0001687400000000 ] - [ 0.0000567800000000, -0.0020566500000000, 0.0008522700000000 ] - [ -0.0002715900000000, -0.0008306300000000, -0.0005082600000000 ] - [ -0.0004438000000000, -0.0007507100000000, -0.0005294200000000 ] - [ -0.0019216300000000, -0.0004527100000000, 0.0005403100000000 ] - [ 0.0000115000000000, -0.0005365400000000, 0.0002504100000000 ] - [ 0.0011113000000000, 0.0011610500000000, 0.0025363200000000 ] - [ -0.0004474700000000, -0.0004848100000000, 0.0003726100000000 ] - [ -0.0000075600000000, 0.0002087500000000, -0.0000034900000000 ] - [ 0.0000489900000000, 0.0000245500000000, -0.0002818000000000 ] - [ -0.0005576600000000, -0.0011631000000000, 0.0021017400000000 ] - [ -0.0002423500000000, 0.0001489200000000, 0.0009315200000000 ] - [ 0.0001412200000000, -0.0003466100000000, -0.0005172000000000 ] - [ -0.0000862900000000, 0.0003217400000000, 0.0007981300000000 ] - [ -0.0000584900000000, 0.0005700200000000, -0.0000416700000000 ] - [ -0.0004711600000000, 0.0007964100000000, -0.0002706100000000 ] - [ 0.0012582800000000, 0.0014646400000000, -0.0007712300000000 ] - [ -0.0001117500000000, -0.0000993700000000, 0.0000849700000000 ] - [ -0.0000831800000000, 0.0005896200000000, 0.0000421500000000 ] - [ 0.0007269700000000, 0.0003490500000000, -0.0002242800000000 ] - [ -0.0000695500000000, -0.0003612800000000, 0.0007825900000000 ] - [ -0.0002669500000000, 0.0000340100000000, -0.0007656100000000 ] - [ -0.0000625700000000, -0.0002965200000000, -0.0003329300000000 ] - [ -0.0000524200000000, 0.0001123100000000, 0.0003371100000000 ] - [ 0.0002535100000000, 0.0002576100000000, 0.0005446600000000 ] - [ 0.0000844300000000, -0.0003862400000000, 0.0004512300000000 ] - [ -0.0002624200000000, -0.0002923900000000, 0.0003288300000000 ] - [ 0.0007234800000000, -0.0002480200000000, -0.0000485600000000 ] - [ 0.0002827800000000, 0.0004333500000000, -0.0004618300000000 ] - [ -0.0003301600000000, 0.0002901300000000, -0.0003951000000000 ] - [ 0.0001907700000000, 0.0001732300000000, -0.0017582400000000 ] - [ -0.0000463700000000, -0.0000861000000000, -0.0012752500000000 ] - [ 0.0004107300000000, -0.0014043900000000, 0.0000536900000000 ] - [ 0.0004830600000000, -0.0000450300000000, 0.0003487700000000 ] - [ 0.0001316300000000, 0.0003214000000000, 0.0009896500000000 ] - [ 0.0018055200000000, -0.0004982700000000, 0.0010943300000000 ] - [ 0.0004144300000000, -0.0004350900000000, 0.0002323700000000 ] - [ -0.0007180300000000, -0.0018684600000000, -0.0003062600000000 ] - [ -0.0004533300000000, -0.0005547000000000, 0.0005636300000000 ] - [ -0.0000898000000000, 0.0001018700000000, 0.0003879400000000 ] - [ 0.0001993000000000, 0.0005699200000000, 0.0010633800000000 ] - [ 0.0006769900000000, 0.0010813600000000, -0.0015983500000000 ] - [ 0.0041476000000000, -0.0068624900000000, 0.0005660200000000 ] - [ 0.0002376700000000, -0.0001795700000000, -0.0000085200000000 ] - [ -0.0001798600000000, -0.0002946700000000, -0.0000162400000000 ] - [ -0.0128562100000000, 0.0009652400000000, 0.0235460400000000 ] - [ 0.0002432700000000, 0.0003243900000000, -0.0001398100000000 ] - [ 0.0005214800000000, -0.0006697900000000, -0.0002208800000000 ] - [ -0.0000307300000000, -0.0112012400000000, -0.0062803200000000 ]- atom: 75 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0001727600000000, -0.0000623800000000, 0.0010495800000000 ] - [ -0.0024616500000000, -0.0003167100000000, -0.0031078200000000 ] - [ 0.0000347000000000, -0.0000661000000000, -0.0008901500000000 ] - [ -0.0005959600000000, -0.0000475100000000, 0.0000029900000000 ] - [ -0.0011719600000000, -0.0002951100000000, 0.0070191100000000 ] - [ 0.0015620600000000, -0.0004364300000000, 0.0067424700000000 ] - [ -0.0000998400000000, -0.0002006800000000, -0.0008436700000000 ] - [ 0.0004812100000000, 0.0000853600000000, -0.0003967900000000 ] - [ 0.0004892900000000, -0.0000606200000000, 0.0006141800000000 ] - [ 0.0029629100000000, -0.0001780500000000, -0.0034386800000000 ] - [ -0.0027155300000000, -0.0012218900000000, -0.0029526100000000 ] - [ -0.0002282200000000, 0.0003251300000000, -0.0018496700000000 ] - [ -0.0001434700000000, -0.0001914600000000, 0.0009925400000000 ] - [ 0.0031155100000000, -0.0013899000000000, -0.0018947100000000 ] - [ 0.0002037000000000, 0.0004536200000000, -0.0018223400000000 ] - [ -0.0004676900000000, 0.0000572600000000, -0.0000793900000000 ] - [ -0.0005195100000000, -0.0000266000000000, 0.0005749600000000 ] - [ -0.0027565800000000, -0.0005159700000000, 0.0023820800000000 ] - [ 0.0014751600000000, -0.0001674900000000, -0.0013075100000000 ] - [ 0.0010089000000000, 0.0000556800000000, -0.0013346900000000 ] - [ -0.0005448500000000, 0.0000744700000000, -0.0004535200000000 ] - [ -0.0005662000000000, -0.0001638700000000, -0.0028193700000000 ] - [ -0.0002143400000000, -0.0030774600000000, 0.0053315800000000 ] - [ -0.0014163000000000, 0.0002066900000000, 0.0010948100000000 ] - [ 0.0016456900000000, -0.0003180900000000, -0.0010412100000000 ] - [ 0.0067943500000000, 0.0090367900000000, -0.0085855100000000 ] - [ 0.0023086600000000, 0.0004693600000000, 0.0010666000000000 ] - [ -0.0056548600000000, 0.0091945400000000, -0.0094991600000000 ] - [ -0.0037649200000000, 0.0008717600000000, -0.0062392700000000 ] - [ -0.0015604400000000, -0.0002975200000000, -0.0001546100000000 ] - [ 0.0039309400000000, 0.0004726600000000, -0.0072217400000000 ] - [ -0.0024792300000000, 0.0003706900000000, 0.0002895300000000 ] - [ 0.0015927700000000, -0.0004469000000000, -0.0042450200000000 ] - [ -0.0011204600000000, 0.0002328800000000, -0.0037380800000000 ] - [ 0.0022174300000000, 0.0007675200000000, -0.0035181200000000 ] - [ -0.0041053200000000, 0.0004412300000000, 0.0071075800000000 ] - [ 0.0082845700000000, 0.0006425400000000, 0.0045578800000000 ] - [ -0.0018899000000000, 0.0003633800000000, -0.0036291100000000 ] - [ -0.0004987500000000, -0.0003573800000000, 0.0029281900000000 ] - [ 0.0001585900000000, 0.0017111900000000, -0.0073881400000000 ] - [ -0.0071118100000000, 0.0004497500000000, 0.0044359300000000 ] - [ -0.0001165300000000, 0.0005067900000000, 0.0019822000000000 ] - [ -0.0004176300000000, -0.0001698800000000, -0.0018238200000000 ] - [ 0.0004891200000000, 0.0075792200000000, 0.2914702600000000 ] - [ -0.0000745700000000, -0.0010806900000000, -0.0019378900000000 ] - [ 0.0040760500000000, 0.0002133100000000, 0.0068294700000000 ] - [ -0.0001435100000000, -0.0008903500000000, -0.0079783600000000 ] - [ -0.0008805400000000, 0.0311238200000000, 0.0128918900000000 ] - [ 0.0000496600000000, -0.0006712100000000, 0.0011595800000000 ] - [ 0.0001408900000000, -0.0008930300000000, -0.0009512400000000 ] - [ 0.0000460800000000, -0.0000316600000000, 0.0000542400000000 ] - [ 0.0000128200000000, 0.0001451500000000, 0.0003797800000000 ] - [ 0.0001002300000000, -0.0004435600000000, -0.0013973900000000 ] - [ 0.0008596300000000, -0.0000035500000000, -0.0002031900000000 ] - [ 0.0001370000000000, 0.0021999600000000, 0.0034651800000000 ] - [ 0.0002776700000000, -0.0104492000000000, 0.0128458100000000 ] - [ 0.0018417400000000, -0.0005078700000000, 0.0005648000000000 ] - [ -0.0001017300000000, -0.0030297900000000, -0.0036964400000000 ] - [ -0.0001838500000000, 0.0012074200000000, -0.0018584800000000 ] - [ -0.0002444100000000, 0.0015133100000000, -0.0017368900000000 ] - [ -0.0005066000000000, -0.0002953700000000, -0.0007727900000000 ] - [ 0.0003793700000000, 0.0024237200000000, 0.0028179700000000 ] - [ -0.0002386500000000, 0.0000558700000000, -0.0002043800000000 ] - [ 0.0000256100000000, -0.0009690400000000, -0.0037156400000000 ] - [ 0.0013168600000000, -0.0004803800000000, 0.0026257100000000 ] - [ -0.0019854700000000, -0.0012296200000000, 0.0021169100000000 ] - [ -0.0009649900000000, 0.0159759100000000, 0.0223048400000000 ] - [ 0.0000842100000000, 0.0000183600000000, -0.0003044400000000 ] - [ 0.0022361100000000, -0.0000129100000000, -0.0006758000000000 ] - [ 0.0006171100000000, 0.0007151000000000, -0.0008671400000000 ] - [ 0.0007865600000000, -0.0000014800000000, 0.0018128100000000 ] - [ -0.0010910300000000, 0.0003940000000000, -0.0008866900000000 ] - [ -0.0001627700000000, 0.0000978600000000, 0.0009102300000000 ] - [ -0.0000711900000000, 0.0011300200000000, 0.0043248000000000 ] - [ -0.0036573800000000, 0.0697050000000000, -0.4453819500000000 ] - [ 0.0059821400000000, -0.0009549600000000, 0.0009082400000000 ] - [ -0.0019402200000000, -0.0017456100000000, -0.0018251400000000 ] - [ 0.0037340800000000, -0.0711545100000000, 0.0498058200000000 ] - [ -0.0058884800000000, -0.0075666200000000, 0.0017351800000000 ] - [ -0.0003607100000000, -0.0000573800000000, 0.0008717600000000 ] - [ 0.0002220700000000, -0.0004873100000000, 0.0015912000000000 ] - [ -0.0011662300000000, 0.0006833500000000, 0.0050025900000000 ] - [ -0.0020664600000000, 0.0001372500000000, 0.0013221400000000 ] - [ 0.0005795900000000, -0.0010819300000000, 0.0016590500000000 ] - [ -0.0002048000000000, 0.0010401000000000, 0.0018526200000000 ] - [ -0.0002400800000000, 0.0006439700000000, 0.0028362500000000 ] - [ 0.0186787800000000, -0.0146118700000000, 0.0310161700000000 ] - [ 0.0026535200000000, 0.0001816700000000, -0.0013867000000000 ] - [ -0.0000134400000000, -0.0013590900000000, 0.0027319400000000 ] - [ 0.0001207500000000, 0.0002271700000000, -0.0040230400000000 ] - [ -0.0004365300000000, -0.0009218000000000, -0.0007974600000000 ] - [ -0.0044014800000000, -0.0007721100000000, 0.0009402400000000 ] - [ 0.0000447200000000, -0.0010973100000000, 0.0028222600000000 ] - [ 0.0007288800000000, 0.0010723600000000, 0.0053166100000000 ] - [ 0.0003356000000000, -0.0005656900000000, 0.0007612300000000 ] - [ -0.0008228500000000, 0.0002945100000000, 0.0003756800000000 ] - [ -0.0000061500000000, 0.0001715400000000, 0.0001106200000000 ] - [ -0.0005540600000000, -0.0016552300000000, 0.0041706700000000 ] - [ 0.0000291200000000, 0.0008552000000000, 0.0032665100000000 ] - [ 0.0012400100000000, -0.0000369300000000, -0.0014952500000000 ] - [ -0.0000053700000000, 0.0016495400000000, 0.0051576600000000 ] - [ -0.0000416100000000, 0.0008858700000000, -0.0013627600000000 ] - [ -0.0004739800000000, 0.0007513800000000, 0.0000234400000000 ] - [ 0.0026646700000000, 0.0006153200000000, -0.0010057100000000 ] - [ -0.0005545300000000, 0.0001894100000000, -0.0002780200000000 ] - [ -0.0001093500000000, 0.0008535100000000, 0.0007935700000000 ] - [ 0.0013863100000000, 0.0006453000000000, -0.0012273700000000 ] - [ -0.0000832900000000, -0.0000538200000000, 0.0019835100000000 ] - [ 0.0013083000000000, -0.0016162400000000, -0.0041333100000000 ] - [ -0.0000073400000000, -0.0000741900000000, -0.0012130600000000 ] - [ 0.0000730700000000, 0.0003052500000000, 0.0037775300000000 ] - [ 0.0007756800000000, 0.0005169300000000, 0.0010076200000000 ] - [ -0.0003139500000000, 0.0003786300000000, 0.0028030700000000 ] - [ 0.0000886000000000, -0.0000586200000000, 0.0021604300000000 ] - [ 0.0017606500000000, -0.0000700400000000, 0.0008900500000000 ] - [ -0.0014293900000000, -0.0002158000000000, -0.0031760200000000 ] - [ -0.0026411800000000, 0.0004876400000000, -0.0002280800000000 ] - [ -0.0065014100000000, -0.0006718800000000, 0.0006546000000000 ] - [ -0.0000172800000000, -0.0004448600000000, -0.0055230300000000 ] - [ 0.0037007900000000, -0.0023649500000000, -0.0026526700000000 ] - [ 0.0005160800000000, -0.0003336600000000, 0.0014373100000000 ] - [ -0.0001145100000000, -0.0001552900000000, 0.0031540600000000 ] - [ 0.0041931000000000, -0.0008378000000000, 0.0016007700000000 ] - [ 0.0024665700000000, -0.0009638300000000, 0.0018549000000000 ] - [ -0.0044761600000000, -0.0025009500000000, -0.0030030800000000 ] - [ -0.0015150600000000, -0.0011596400000000, 0.0028598000000000 ] - [ 0.0003364400000000, 0.0003834200000000, 0.0011538200000000 ] - [ 0.0001272600000000, -0.0003330100000000, 0.0047264600000000 ] - [ -0.0014942500000000, 0.0008711900000000, -0.0043757500000000 ] - [ 0.0066158500000000, -0.0083723000000000, 0.0022395500000000 ] - [ -0.0005697200000000, -0.0002399700000000, -0.0010277800000000 ] - [ -0.0006518700000000, -0.0000632900000000, 0.0004619100000000 ] - [ -0.0201956700000000, -0.0154151400000000, 0.0304551700000000 ] - [ 0.0001824500000000, 0.0001582900000000, -0.0016198900000000 ] - [ -0.0005078400000000, -0.0003328000000000, 0.0006699600000000 ] - [ 0.0002728200000000, -0.0039419900000000, -0.0105109000000000 ]- atom: 75 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0001699000000000, 0.0003268900000000, -0.0010438400000000 ] - [ 0.0024464400000000, 0.0003124700000000, 0.0030868600000000 ] - [ -0.0000350600000000, 0.0000654100000000, 0.0007588500000000 ] - [ 0.0005923300000000, 0.0000466500000000, -0.0000016800000000 ] - [ 0.0011512200000000, 0.0000365200000000, -0.0069890800000000 ] - [ -0.0015236200000000, 0.0004268900000000, -0.0065901200000000 ] - [ 0.0000986400000000, -0.0000653200000000, 0.0008388100000000 ] - [ -0.0004787200000000, -0.0000849800000000, 0.0003929700000000 ] - [ -0.0004862400000000, 0.0000597300000000, 0.0002405800000000 ] - [ -0.0029455100000000, 0.0001734200000000, 0.0025664400000000 ] - [ 0.0027017400000000, 0.0012120800000000, 0.0020878400000000 ] - [ 0.0002274300000000, -0.0003226800000000, 0.0019646500000000 ] - [ 0.0001400200000000, 0.0001900100000000, -0.0011127100000000 ] - [ -0.0031002600000000, 0.0013785800000000, 0.0018865100000000 ] - [ -0.0002024900000000, -0.0001861400000000, 0.0018115000000000 ] - [ 0.0004649200000000, -0.0000572300000000, 0.0009273200000000 ] - [ -0.0005223700000000, -0.0000911800000000, -0.0004677900000000 ] - [ 0.0037770000000000, 0.0003906300000000, -0.0024621100000000 ] - [ -0.0004277800000000, 0.0000488800000000, 0.0014039100000000 ] - [ 0.0000348300000000, 0.0000620600000000, 0.0012213200000000 ] - [ -0.0004969300000000, 0.0000445000000000, 0.0005557100000000 ] - [ -0.0004755300000000, 0.0000423200000000, 0.0027011600000000 ] - [ -0.0008258800000000, 0.0031822800000000, -0.0053804100000000 ] - [ 0.0024444500000000, -0.0000867300000000, -0.0009871100000000 ] - [ -0.0016375100000000, 0.0003171000000000, 0.0010323700000000 ] - [ -0.0067586200000000, -0.0089733100000000, 0.0085293100000000 ] - [ -0.0022924700000000, -0.0004634800000000, 0.0006496200000000 ] - [ 0.0056251700000000, -0.0091291900000000, 0.0077310700000000 ] - [ 0.0037544100000000, -0.0008515900000000, 0.0062029900000000 ] - [ 0.0015518800000000, 0.0002964900000000, 0.0018578400000000 ] - [ -0.0039184600000000, -0.0004529300000000, 0.0054735000000000 ] - [ 0.0024615800000000, -0.0003660500000000, -0.0002839700000000 ] - [ -0.0015121900000000, -0.0008289400000000, 0.0043011100000000 ] - [ 0.0018799700000000, -0.0003817900000000, 0.0042267000000000 ] - [ -0.0021273600000000, 0.0005087500000000, 0.0034171700000000 ] - [ 0.0041608400000000, 0.0008361600000000, -0.0069726000000000 ] - [ -0.0074908300000000, -0.0007967300000000, -0.0050813600000000 ] - [ 0.0026399200000000, -0.0002120300000000, 0.0030975500000000 ] - [ -0.0002676500000000, 0.0002052400000000, -0.0023982900000000 ] - [ -0.0002322800000000, -0.0004267200000000, 0.0074248700000000 ] - [ 0.0071577400000000, -0.0017316100000000, -0.0045179600000000 ] - [ 0.0000399600000000, 0.0007666400000000, -0.0020534300000000 ] - [ -0.0003480300000000, 0.0003179200000000, 0.0023230400000000 ] - [ -0.0005624300000000, -0.0084171900000000, -0.2711655400000000 ] - [ -0.0000005400000000, -0.0001971600000000, 0.0018471100000000 ] - [ -0.0032935200000000, -0.0000566900000000, -0.0062632000000000 ] - [ -0.0006196300000000, 0.0007344100000000, 0.0074190800000000 ] - [ 0.0001127300000000, -0.0307277700000000, -0.0134478700000000 ] - [ 0.0001498000000000, 0.0009381000000000, -0.0010709400000000 ] - [ 0.0000591400000000, 0.0006162800000000, 0.0010267700000000 ] - [ 0.0000387100000000, -0.0001386900000000, 0.0004237100000000 ] - [ 0.0000717500000000, 0.0000258500000000, 0.0001006600000000 ] - [ -0.0000150100000000, 0.0006099300000000, 0.0009121500000000 ] - [ -0.0009390900000000, 0.0001739800000000, -0.0002769700000000 ] - [ -0.0003415100000000, -0.0024568300000000, -0.0033602900000000 ] - [ -0.0002528700000000, 0.0132257400000000, -0.0147223100000000 ] - [ -0.0019094100000000, 0.0003330700000000, -0.0000825600000000 ] - [ 0.0003003600000000, 0.0032833800000000, 0.0035930100000000 ] - [ -0.0000167800000000, -0.0014720000000000, 0.0017660400000000 ] - [ 0.0000435200000000, -0.0012330800000000, 0.0018080200000000 ] - [ 0.0004178900000000, 0.0001234400000000, 0.0002895400000000 ] - [ -0.0005733800000000, -0.0021403800000000, -0.0028878200000000 ] - [ 0.0001523900000000, 0.0001144300000000, 0.0006805500000000 ] - [ 0.0000595600000000, 0.0007852500000000, 0.0032635500000000 ] - [ -0.0021678900000000, 0.0009573600000000, -0.0027139500000000 ] - [ 0.0019791000000000, 0.0009679000000000, -0.0015680500000000 ] - [ -0.0000023300000000, -0.0141159200000000, -0.0211405400000000 ] - [ -0.0000663600000000, -0.0000858300000000, -0.0001715500000000 ] - [ -0.0022566800000000, -0.0008020400000000, 0.0000751200000000 ] - [ -0.0005845500000000, 0.0001061500000000, 0.0002614900000000 ] - [ -0.0006093600000000, 0.0009652600000000, -0.0015122100000000 ] - [ 0.0005225000000000, -0.0004551400000000, 0.0013336800000000 ] - [ 0.0010176200000000, -0.0005756800000000, -0.0010061300000000 ] - [ -0.0001019200000000, -0.0020846000000000, -0.0040095700000000 ] - [ 0.0037256100000000, -0.0745198500000000, 0.4248125100000000 ] - [ -0.0059746200000000, 0.0012024100000000, -0.0003743800000000 ] - [ 0.0020998900000000, 0.0007765000000000, 0.0021134800000000 ] - [ -0.0039390300000000, 0.0724085300000000, -0.0496801300000000 ] - [ 0.0053063800000000, 0.0075959700000000, -0.0021609300000000 ] - [ 0.0003671800000000, 0.0003095400000000, -0.0014024500000000 ] - [ 0.0001668100000000, -0.0001800200000000, -0.0012255300000000 ] - [ 0.0005953000000000, -0.0007398600000000, -0.0054264500000000 ] - [ 0.0020380800000000, -0.0002059200000000, -0.0008408400000000 ] - [ -0.0004044000000000, 0.0001123800000000, -0.0019398800000000 ] - [ 0.0011617700000000, 0.0004615800000000, -0.0010506700000000 ] - [ -0.0001494500000000, 0.0000244400000000, -0.0024639500000000 ] - [ -0.0181670700000000, 0.0135457800000000, -0.0297899100000000 ] - [ -0.0016818700000000, -0.0016745300000000, 0.0021640400000000 ] - [ 0.0000303200000000, 0.0012787400000000, -0.0022420000000000 ] - [ -0.0005002800000000, -0.0008879900000000, 0.0043491600000000 ] - [ -0.0005233100000000, -0.0005766600000000, 0.0000027800000000 ] - [ 0.0043415300000000, 0.0008319800000000, -0.0014032200000000 ] - [ 0.0001035500000000, 0.0001307500000000, -0.0035219300000000 ] - [ 0.0001317000000000, -0.0005842400000000, -0.0051816700000000 ] - [ -0.0011880200000000, 0.0000832800000000, -0.0006565500000000 ] - [ 0.0007879600000000, 0.0005237100000000, -0.0009756200000000 ] - [ 0.0000236100000000, -0.0001034600000000, -0.0005824400000000 ] - [ -0.0004072200000000, 0.0001499300000000, -0.0033528600000000 ] - [ 0.0000000900000000, -0.0000355000000000, -0.0026450900000000 ] - [ -0.0012279000000000, -0.0002187000000000, 0.0009462900000000 ] - [ -0.0001422600000000, -0.0006795400000000, -0.0058434000000000 ] - [ -0.0001055800000000, 0.0000802100000000, 0.0020712100000000 ] - [ -0.0004861800000000, 0.0007473200000000, -0.0008141500000000 ] - [ -0.0016919700000000, 0.0008853700000000, 0.0002137800000000 ] - [ 0.0005448400000000, -0.0004418900000000, 0.0008138600000000 ] - [ -0.0000633300000000, 0.0001152600000000, -0.0010798700000000 ] - [ -0.0005221300000000, -0.0001622000000000, 0.0011164200000000 ] - [ -0.0000644100000000, -0.0009067400000000, -0.0012559500000000 ] - [ -0.0011433000000000, 0.0006463600000000, 0.0048369100000000 ] - [ -0.0001648700000000, -0.0008890900000000, 0.0009143700000000 ] - [ -0.0000567200000000, -0.0002461700000000, -0.0033132800000000 ] - [ -0.0007765600000000, -0.0002604900000000, -0.0004655200000000 ] - [ 0.0003038700000000, -0.0006321000000000, -0.0033223900000000 ] - [ -0.0004745500000000, -0.0006060700000000, -0.0025035800000000 ] - [ -0.0017677300000000, 0.0000004300000000, -0.0013573600000000 ] - [ 0.0015969200000000, 0.0011756500000000, 0.0028598200000000 ] - [ 0.0017754600000000, -0.0000044000000000, 0.0003350800000000 ] - [ 0.0070713700000000, 0.0006016700000000, -0.0011228200000000 ] - [ 0.0001575700000000, 0.0014050700000000, 0.0047698700000000 ] - [ -0.0037071700000000, 0.0031593200000000, 0.0032268000000000 ] - [ 0.0000473600000000, 0.0002677500000000, -0.0009738100000000 ] - [ 0.0002605700000000, 0.0011151600000000, -0.0024198300000000 ] - [ -0.0041699500000000, 0.0008972000000000, -0.0011138900000000 ] - [ -0.0018894200000000, 0.0010209800000000, -0.0022987300000000 ] - [ 0.0035919000000000, 0.0019975300000000, 0.0028729400000000 ] - [ 0.0014806300000000, 0.0003368000000000, -0.0022438100000000 ] - [ -0.0008957600000000, -0.0003170200000000, -0.0006924900000000 ] - [ 0.0002597900000000, 0.0009955200000000, -0.0050528000000000 ] - [ 0.0010859700000000, -0.0002026400000000, 0.0040093300000000 ] - [ -0.0057403300000000, 0.0078578700000000, -0.0021082200000000 ] - [ 0.0011310300000000, 0.0002985900000000, 0.0014708200000000 ] - [ 0.0006749400000000, -0.0007541700000000, -0.0010608400000000 ] - [ 0.0196892600000000, 0.0153969600000000, -0.0303753500000000 ] - [ 0.0002059900000000, 0.0005067400000000, 0.0019649100000000 ] - [ 0.0014618400000000, -0.0011626800000000, -0.0014576200000000 ] - [ 0.0001196500000000, 0.0033081600000000, 0.0101577700000000 ]- atom: 81 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0002715900000000, 0.0001850300000000, 0.0001128000000000 ] - [ -0.0006008800000000, -0.0000333900000000, -0.0002438500000000 ] - [ 0.0126620100000000, 0.0066014900000000, 0.0011062200000000 ] - [ 0.0005601400000000, -0.0003240000000000, -0.0005473900000000 ] - [ -0.0002839500000000, -0.0001409700000000, -0.0000466000000000 ] - [ -0.0002667200000000, 0.0000175000000000, 0.0000988800000000 ] - [ 0.0084468600000000, -0.0049435000000000, -0.0005937900000000 ] - [ 0.0006118400000000, -0.0010026900000000, 0.0007056300000000 ] - [ 0.0004329200000000, 0.0002184700000000, 0.0008932300000000 ] - [ -0.0005384000000000, 0.0000067200000000, -0.0001803200000000 ] - [ -0.0005594800000000, -0.0001744800000000, -0.0007270500000000 ] - [ -0.0010837900000000, 0.0002798000000000, 0.0000727900000000 ] - [ 0.0002429700000000, -0.0000697400000000, -0.0001985200000000 ] - [ -0.0005228700000000, 0.0001266400000000, 0.0002286200000000 ] - [ -0.0010528600000000, -0.0000563100000000, -0.0000236300000000 ] - [ 0.0004312800000000, 0.0010975500000000, -0.0003418500000000 ] - [ -0.0000076500000000, -0.0000519600000000, 0.0000148500000000 ] - [ 0.0005296400000000, -0.0000737900000000, -0.0001739800000000 ] - [ 0.0002338500000000, 0.0000211800000000, 0.0004985800000000 ] - [ -0.0016172900000000, -0.0002919200000000, 0.0008365300000000 ] - [ 0.0032219900000000, -0.0001423100000000, -0.0006019400000000 ] - [ -0.0013485300000000, -0.0000577500000000, -0.0000398300000000 ] - [ -0.0009124500000000, 0.0000568700000000, -0.0000637400000000 ] - [ 0.0002649500000000, 0.0001392900000000, -0.0003515000000000 ] - [ 0.0005543700000000, 0.0056916200000000, 0.0051079000000000 ] - [ -0.0014803500000000, -0.0006344300000000, 0.0008181100000000 ] - [ 0.0015196100000000, -0.0012590400000000, 0.0030826700000000 ] - [ -0.0014778500000000, 0.0007798800000000, -0.0017770600000000 ] - [ -0.0021083200000000, 0.0000950000000000, -0.0005845700000000 ] - [ -0.0003886600000000, -0.0058083200000000, -0.0044423500000000 ] - [ -0.0019327200000000, -0.0000143000000000, -0.0002010500000000 ] - [ 0.0017501300000000, 0.0014616900000000, -0.0020674700000000 ] - [ -0.0016579000000000, -0.0009348700000000, 0.0007550400000000 ] - [ -0.0013493600000000, 0.0004811500000000, -0.0006699100000000 ] - [ -0.0040143500000000, 0.0018805200000000, 0.0033554400000000 ] - [ -0.0002233700000000, 0.0006413700000000, -0.0003479400000000 ] - [ 0.0002371300000000, -0.0001673000000000, 0.0002654600000000 ] - [ -0.0036171000000000, -0.0017687000000000, -0.0050515000000000 ] - [ 0.0009357300000000, -0.0000699600000000, 0.0002562400000000 ] - [ -0.0026385200000000, 0.0006071400000000, 0.0001020500000000 ] - [ -0.0002475900000000, -0.0004664800000000, -0.0006507300000000 ] - [ 0.0049692500000000, 0.0005828500000000, -0.0002938800000000 ] - [ 0.0607891500000000, -0.0014099600000000, 0.0039465600000000 ] - [ -0.0011095900000000, -0.0006555900000000, 0.0000114700000000 ] - [ 0.0046461100000000, -0.0003526200000000, 0.0003142400000000 ] - [ 0.0000048700000000, 0.0001531800000000, 0.0005223000000000 ] - [ -0.0024440600000000, -0.0000775500000000, -0.0002322100000000 ] - [ -0.0018166800000000, 0.0000573900000000, -0.0002523600000000 ] - [ 0.0001104500000000, 0.0001780500000000, -0.0000006600000000 ] - [ 0.0010266000000000, -0.0000513400000000, -0.0001033000000000 ] - [ 0.0005775500000000, -0.0000793800000000, 0.0002360200000000 ] - [ 0.0002385100000000, 0.0000895200000000, 0.0002380500000000 ] - [ -0.0004455800000000, 0.0000889500000000, -0.0002460400000000 ] - [ -0.0001927900000000, 0.0000241000000000, 0.0000709600000000 ] - [ -0.0000986100000000, -0.0001242000000000, 0.0000174800000000 ] - [ 0.0000105800000000, -0.0001123700000000, -0.0000643600000000 ] - [ -0.0000203900000000, -0.0000289900000000, 0.0003312200000000 ] - [ -0.0002072300000000, 0.0000647300000000, -0.0001011900000000 ] - [ -0.0002642900000000, -0.0005319600000000, -0.0000025200000000 ] - [ -0.0008144500000000, 0.0012918600000000, -0.0008930500000000 ] - [ -0.0001074900000000, -0.0001429700000000, -0.0004147300000000 ] - [ -0.0001178600000000, 0.0002100000000000, 0.0000790100000000 ] - [ -0.0010433800000000, 0.0001833900000000, -0.0000163000000000 ] - [ -0.0001541800000000, -0.0000887300000000, -0.0002396700000000 ] - [ 0.0009058800000000, -0.0002011500000000, 0.0005967100000000 ] - [ 0.0019073300000000, 0.0006600800000000, -0.0008162700000000 ] - [ -0.0000786700000000, 0.0007508800000000, 0.0004127900000000 ] - [ -0.0015307600000000, -0.0000341600000000, -0.0002976400000000 ] - [ -0.0001618000000000, -0.0001690300000000, 0.0001791800000000 ] - [ -0.0018475500000000, -0.0001376000000000, 0.0028460100000000 ] - [ 0.0006342500000000, 0.0016407200000000, 0.0010280700000000 ] - [ -0.0010175900000000, 0.0001486600000000, -0.0001645500000000 ] - [ 0.0024064800000000, -0.0012507100000000, -0.0299158700000000 ] - [ 0.0006046700000000, -0.0004353800000000, 0.0001728500000000 ] - [ 0.0002123600000000, -0.0004911100000000, -0.0003331900000000 ] - [ 0.0003875000000000, 0.0001412400000000, 0.0005478400000000 ] - [ 0.0001514900000000, -0.0003805800000000, -0.0001225800000000 ] - [ 0.0003081800000000, 0.0004672700000000, 0.0001556400000000 ] - [ 0.0006978000000000, 0.0002716700000000, -0.0006377100000000 ] - [ 0.0003938700000000, -0.0011183400000000, -0.0010340000000000 ] - [ -0.0816780300000000, -0.0009479300000000, -0.0049604600000000 ] - [ 0.0008655400000000, -0.0003663900000000, -0.0003860300000000 ] - [ 0.0016858900000000, -0.0005204200000000, -0.0007276000000000 ] - [ 0.0007555000000000, -0.0013409900000000, 0.0005573100000000 ] - [ 0.0012006700000000, 0.0012111900000000, -0.0000611800000000 ] - [ 0.0007147200000000, 0.0007881500000000, 0.0003748500000000 ] - [ 0.0006572300000000, -0.0006087000000000, 0.0005095800000000 ] - [ 0.0005350300000000, -0.0007312300000000, 0.0006851200000000 ] - [ 0.0011251000000000, -0.0000534600000000, 0.0002612400000000 ] - [ -0.0000438700000000, -0.0003106300000000, 0.0001562600000000 ] - [ -0.0015842700000000, -0.0007663200000000, -0.0003251400000000 ] - [ 0.0002071200000000, 0.0003013500000000, -0.0007190900000000 ] - [ 0.0006497200000000, -0.0005575100000000, -0.0006635100000000 ] - [ 0.0015896300000000, 0.0005141400000000, 0.0001947800000000 ] - [ 0.0013671700000000, -0.0005734900000000, 0.0040879900000000 ] - [ 0.0025322300000000, 0.0006877800000000, -0.0042181400000000 ] - [ -0.0029948000000000, 0.0002269100000000, -0.0001227400000000 ] - [ 0.0003280000000000, -0.0007005000000000, 0.0003774400000000 ] - [ 0.0015784900000000, 0.0007922100000000, 0.0003250200000000 ] - [ -0.0001583200000000, -0.0001740500000000, 0.0003611500000000 ] - [ 0.0008044400000000, 0.0005304400000000, -0.0003675900000000 ] - [ -0.0009582000000000, 0.0004873500000000, 0.0004194500000000 ] - [ -0.0024737700000000, 0.0005084200000000, -0.0006450100000000 ] - [ 0.0006399300000000, 0.0005424300000000, -0.0000078400000000 ] - [ -0.0022822800000000, 0.0003636400000000, -0.0026620100000000 ] - [ -0.0127286900000000, 0.0001955100000000, 0.0003892600000000 ] - [ -0.0003342500000000, 0.0000640900000000, 0.0003259800000000 ] - [ -0.0020797100000000, -0.0002508700000000, 0.0003046000000000 ] - [ 0.0001140400000000, -0.0005502700000000, 0.0006374100000000 ] - [ -0.0004503700000000, -0.0005147800000000, -0.0001352400000000 ] - [ 0.0009624100000000, 0.0000208900000000, 0.0002217800000000 ] - [ -0.0021043800000000, -0.0013557700000000, 0.0007168400000000 ] - [ 0.0015184800000000, -0.0005978200000000, -0.0004561700000000 ] - [ 0.0039856600000000, 0.0002299100000000, 0.0019440800000000 ] - [ 0.0019315800000000, 0.0003532600000000, 0.0006906400000000 ] - [ 0.0001508100000000, 0.0004592700000000, -0.0002588900000000 ] - [ -0.0006999700000000, 0.0000303700000000, -0.0004303700000000 ] - [ 0.0005943000000000, -0.0001404200000000, -0.0005426400000000 ] - [ 0.0001408700000000, 0.0004237000000000, -0.0003167600000000 ] - [ 0.0003096200000000, 0.0003462800000000, 0.0005953500000000 ] - [ 0.0006533000000000, 0.0009556500000000, 0.0008684200000000 ] - [ 0.0028453000000000, -0.0003918500000000, -0.0009327000000000 ] - [ 0.0001853800000000, -0.0003676500000000, 0.0007221000000000 ] - [ 0.0023161900000000, -0.0005885200000000, 0.0015000100000000 ] - [ -0.0000416300000000, -0.0002004800000000, -0.0002710500000000 ] - [ 0.0012029600000000, 0.0000218000000000, -0.0001972900000000 ] - [ 0.0032492200000000, 0.0019389700000000, 0.0315063100000000 ] - [ 0.0009983400000000, 0.0003288900000000, -0.0001950200000000 ] - [ -0.0001832200000000, 0.0004046400000000, -0.0004131600000000 ] - [ 0.0014263700000000, -0.0004568300000000, 0.0004445500000000 ] - [ 0.0001986900000000, 0.0000045800000000, -0.0004367000000000 ] - [ -0.0017399600000000, 0.0007552300000000, -0.0008281700000000 ] - [ 0.0006471600000000, 0.0003358400000000, -0.0004494400000000 ] - [ -0.0002543700000000, 0.0003199000000000, 0.0001776100000000 ] - [ 0.0010230400000000, -0.0017748900000000, -0.0013565100000000 ] - [ 0.0006139400000000, -0.0003345500000000, -0.0001774700000000 ]- atom: 81 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0002729200000000, 0.0000807300000000, -0.0001092100000000 ] - [ 0.0006020900000000, 0.0000332700000000, 0.0002425700000000 ] - [ -0.0121001600000000, -0.0061013900000000, -0.0012406900000000 ] - [ -0.0005615400000000, 0.0003254800000000, 0.0005502600000000 ] - [ 0.0002845100000000, -0.0001245700000000, 0.0000482600000000 ] - [ 0.0002667200000000, -0.0000172800000000, 0.0000290000000000 ] - [ -0.0087546700000000, 0.0050594600000000, 0.0005690200000000 ] - [ -0.0006246100000000, 0.0009987200000000, -0.0006953200000000 ] - [ -0.0004312000000000, -0.0002170300000000, -0.0000383700000000 ] - [ 0.0005363100000000, -0.0000066800000000, -0.0006724100000000 ] - [ 0.0005597800000000, 0.0001750600000000, -0.0001232000000000 ] - [ 0.0010871400000000, -0.0002820100000000, 0.0000507300000000 ] - [ -0.0002426100000000, 0.0000697900000000, 0.0000757000000000 ] - [ 0.0005220600000000, -0.0001262100000000, -0.0002267500000000 ] - [ 0.0010505900000000, 0.0003195000000000, 0.0000212000000000 ] - [ -0.0004155100000000, -0.0011007100000000, 0.0012013700000000 ] - [ -0.0010342300000000, -0.0000673400000000, 0.0000956200000000 ] - [ 0.0005112900000000, -0.0000453300000000, 0.0000716000000000 ] - [ 0.0008067900000000, -0.0001382000000000, -0.0003932900000000 ] - [ 0.0026535700000000, 0.0004104800000000, -0.0009571100000000 ] - [ -0.0042799300000000, 0.0002975300000000, 0.0008378900000000 ] - [ 0.0003068600000000, -0.0000606700000000, -0.0000671200000000 ] - [ -0.0001290500000000, 0.0000612000000000, -0.0000397500000000 ] - [ 0.0007789900000000, -0.0000207700000000, 0.0004588400000000 ] - [ -0.0005693200000000, -0.0056663600000000, -0.0050874000000000 ] - [ 0.0014788500000000, 0.0006321500000000, -0.0008121100000000 ] - [ -0.0015178200000000, 0.0012515100000000, -0.0013604500000000 ] - [ 0.0014799600000000, -0.0007830500000000, 0.0000718600000000 ] - [ 0.0021144100000000, -0.0000943500000000, 0.0005808000000000 ] - [ 0.0004042800000000, 0.0058304600000000, 0.0061732500000000 ] - [ 0.0019260000000000, 0.0000149400000000, -0.0015147900000000 ] - [ -0.0017522200000000, -0.0014690800000000, 0.0020766500000000 ] - [ 0.0017205600000000, -0.0003402500000000, -0.0006941900000000 ] - [ 0.0021274100000000, -0.0006280400000000, 0.0011608600000000 ] - [ 0.0040720600000000, -0.0006014500000000, -0.0034153800000000 ] - [ 0.0002974400000000, 0.0006337700000000, 0.0004366400000000 ] - [ 0.0005215000000000, 0.0000181000000000, -0.0007709600000000 ] - [ 0.0043947100000000, 0.0019279200000000, 0.0045740200000000 ] - [ -0.0017016200000000, -0.0000814400000000, 0.0002643700000000 ] - [ 0.0025648100000000, 0.0006671000000000, -0.0000313000000000 ] - [ 0.0003285500000000, -0.0008078800000000, 0.0005774500000000 ] - [ -0.0050435500000000, 0.0006962400000000, 0.0002282700000000 ] - [ -0.0616389800000000, 0.0022284000000000, -0.0054081400000000 ] - [ 0.0010348400000000, -0.0006188200000000, 0.0000748500000000 ] - [ -0.0047201500000000, -0.0009276300000000, -0.0004286000000000 ] - [ 0.0007601100000000, -0.0000023200000000, -0.0000017100000000 ] - [ 0.0016790600000000, -0.0000714600000000, -0.0002819100000000 ] - [ 0.0010510500000000, 0.0000916500000000, -0.0002557600000000 ] - [ 0.0000891000000000, 0.0000889200000000, 0.0000885900000000 ] - [ -0.0008227900000000, -0.0002741700000000, 0.0001294000000000 ] - [ -0.0004923700000000, -0.0001021600000000, 0.0002457700000000 ] - [ -0.0001536800000000, 0.0000817200000000, 0.0002424600000000 ] - [ 0.0005306400000000, 0.0000817100000000, -0.0002331000000000 ] - [ 0.0001066300000000, 0.0001460400000000, -0.0005491700000000 ] - [ -0.0001010800000000, -0.0001448800000000, 0.0000678400000000 ] - [ 0.0001894200000000, -0.0001611400000000, -0.0000154400000000 ] - [ -0.0000643400000000, -0.0001414900000000, 0.0001490800000000 ] - [ 0.0004070800000000, 0.0002063800000000, 0.0000178200000000 ] - [ 0.0000652000000000, 0.0002667800000000, -0.0000850000000000 ] - [ 0.0006104300000000, -0.0010060600000000, 0.0009592700000000 ] - [ 0.0000224100000000, -0.0000275500000000, -0.0000643200000000 ] - [ -0.0000828100000000, 0.0000648500000000, -0.0001570400000000 ] - [ 0.0009629100000000, -0.0000136300000000, 0.0004928700000000 ] - [ 0.0002390100000000, -0.0000818100000000, -0.0002401200000000 ] - [ -0.0017663600000000, 0.0006796700000000, -0.0006944900000000 ] - [ -0.0018945100000000, -0.0009102600000000, 0.0013492300000000 ] - [ -0.0008822100000000, 0.0007456300000000, 0.0003776500000000 ] - [ 0.0015479800000000, -0.0000333400000000, -0.0001803300000000 ] - [ 0.0001282000000000, -0.0006521500000000, -0.0007859700000000 ] - [ 0.0018762600000000, 0.0009555700000000, -0.0034527800000000 ] - [ -0.0004630800000000, -0.0006834000000000, -0.0007387400000000 ] - [ 0.0004530000000000, -0.0002111900000000, 0.0006162300000000 ] - [ -0.0015722700000000, 0.0007987700000000, 0.0300785800000000 ] - [ -0.0007780900000000, -0.0005314900000000, 0.0001201500000000 ] - [ -0.0003605900000000, -0.0004718500000000, -0.0003888100000000 ] - [ -0.0003836700000000, 0.0001127800000000, -0.0000098900000000 ] - [ 0.0000233600000000, -0.0005871600000000, 0.0004113500000000 ] - [ -0.0004816300000000, 0.0004997300000000, 0.0001350200000000 ] - [ -0.0012597100000000, -0.0002067900000000, 0.0001812100000000 ] - [ -0.0003741200000000, 0.0013682600000000, 0.0005049800000000 ] - [ 0.0819485200000000, -0.0014351900000000, 0.0067695900000000 ] - [ -0.0014298800000000, 0.0003028000000000, -0.0000703300000000 ] - [ -0.0016922000000000, 0.0004494800000000, 0.0011994100000000 ] - [ -0.0005870300000000, 0.0003681200000000, -0.0008373100000000 ] - [ -0.0002338300000000, 0.0002885200000000, 0.0008603600000000 ] - [ -0.0011009400000000, -0.0001161500000000, -0.0000072400000000 ] - [ -0.0006301200000000, -0.0002095900000000, 0.0000898400000000 ] - [ 0.0004251600000000, -0.0007667300000000, 0.0001049200000000 ] - [ -0.0011087800000000, -0.0000141400000000, 0.0002108500000000 ] - [ -0.0003448400000000, -0.0003549400000000, 0.0001951400000000 ] - [ 0.0006237000000000, -0.0007356900000000, -0.0004798100000000 ] - [ -0.0002243500000000, -0.0002322300000000, 0.0002413500000000 ] - [ -0.0005020200000000, -0.0004063800000000, -0.0000416900000000 ] - [ -0.0007317400000000, -0.0000339100000000, -0.0000931100000000 ] - [ -0.0022362500000000, 0.0000963900000000, -0.0040183700000000 ] - [ -0.0025434600000000, 0.0001355700000000, 0.0035831000000000 ] - [ 0.0030113100000000, -0.0001539700000000, -0.0003578600000000 ] - [ -0.0012885600000000, -0.0007988000000000, 0.0004184700000000 ] - [ -0.0015493200000000, 0.0000284900000000, 0.0002828500000000 ] - [ 0.0001643800000000, -0.0000804500000000, -0.0009049500000000 ] - [ -0.0009528800000000, 0.0004331900000000, -0.0003443900000000 ] - [ 0.0008108000000000, 0.0004769600000000, 0.0002870800000000 ] - [ 0.0015128300000000, 0.0009861800000000, -0.0001416100000000 ] - [ 0.0003170000000000, 0.0009558600000000, -0.0007873200000000 ] - [ 0.0022747300000000, -0.0006185700000000, 0.0031948900000000 ] - [ 0.0125447100000000, 0.0008365600000000, -0.0007798900000000 ] - [ 0.0011942900000000, 0.0004180500000000, -0.0004318500000000 ] - [ 0.0019293700000000, -0.0006938800000000, 0.0004582200000000 ] - [ 0.0000327900000000, -0.0004145300000000, 0.0000744800000000 ] - [ 0.0002777700000000, -0.0004489900000000, -0.0001613900000000 ] - [ -0.0009458300000000, 0.0000475000000000, 0.0002544000000000 ] - [ 0.0021025400000000, 0.0016168200000000, -0.0001747700000000 ] - [ -0.0015273600000000, 0.0003457400000000, -0.0000779000000000 ] - [ -0.0044277600000000, -0.0008979900000000, -0.0023099200000000 ] - [ -0.0019589300000000, -0.0004237400000000, -0.0011670700000000 ] - [ 0.0000220300000000, 0.0005056400000000, -0.0000373000000000 ] - [ -0.0001526500000000, 0.0004482500000000, 0.0005281700000000 ] - [ -0.0000293000000000, 0.0000755100000000, 0.0000864300000000 ] - [ 0.0000068800000000, 0.0005385000000000, -0.0004079000000000 ] - [ -0.0003376700000000, 0.0004730300000000, 0.0000037300000000 ] - [ -0.0001042400000000, -0.0010225100000000, -0.0004037200000000 ] - [ -0.0026699900000000, 0.0013460300000000, 0.0016491100000000 ] - [ -0.0002024500000000, 0.0004372700000000, -0.0002504100000000 ] - [ -0.0017599100000000, 0.0006552700000000, -0.0019659600000000 ] - [ -0.0008172300000000, -0.0002809100000000, 0.0001641600000000 ] - [ -0.0012279800000000, -0.0008409900000000, 0.0008047200000000 ] - [ -0.0037784900000000, -0.0018362700000000, -0.0307472200000000 ] - [ -0.0006105400000000, 0.0003374200000000, -0.0001600100000000 ] - [ -0.0002046000000000, 0.0002620800000000, 0.0000514300000000 ] - [ -0.0005705600000000, -0.0000225600000000, -0.0003430300000000 ] - [ 0.0003664600000000, 0.0000580500000000, 0.0008856700000000 ] - [ 0.0017628100000000, -0.0015677000000000, 0.0002290600000000 ] - [ -0.0006535700000000, -0.0000813300000000, -0.0000917500000000 ] - [ 0.0006434300000000, 0.0003457100000000, 0.0001726600000000 ] - [ -0.0000610700000000, 0.0002714700000000, 0.0005590000000000 ] - [ -0.0002257500000000, -0.0003317100000000, -0.0001824900000000 ]- atom: 81 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000564600000000, 0.0001605800000000, 0.0001811700000000 ] - [ 0.0000835000000000, 0.0000123700000000, -0.0000028800000000 ] - [ 0.0067900700000000, 0.0065338000000000, 0.0000518400000000 ] - [ -0.0001912600000000, -0.0000729700000000, -0.0000813500000000 ] - [ 0.0000233600000000, -0.0001453300000000, 0.0000702700000000 ] - [ -0.0000239300000000, -0.0000118100000000, 0.0001346400000000 ] - [ -0.0049806500000000, 0.0062747000000000, -0.0001953200000000 ] - [ -0.0016515600000000, 0.0003254600000000, 0.0013666800000000 ] - [ 0.0001540500000000, -0.0000140400000000, 0.0004073400000000 ] - [ -0.0000825000000000, 0.0000147400000000, -0.0004209600000000 ] - [ 0.0000243400000000, 0.0000122200000000, -0.0003947100000000 ] - [ 0.0001415300000000, -0.0000368900000000, -0.0000278600000000 ] - [ 0.0000467600000000, 0.0000209000000000, 0.0001086400000000 ] - [ -0.0000181200000000, 0.0000021400000000, 0.0000468900000000 ] - [ -0.0000903100000000, 0.0001706600000000, -0.0000833600000000 ] - [ 0.0019167600000000, 0.0003736800000000, 0.0017516800000000 ] - [ -0.0005253900000000, -0.0003057900000000, 0.0004808900000000 ] - [ 0.0005335900000000, -0.0000803200000000, 0.0000974600000000 ] - [ 0.0003013000000000, -0.0002549800000000, 0.0000585600000000 ] - [ 0.0003941400000000, 0.0004529500000000, -0.0001478900000000 ] - [ -0.0007859700000000, 0.0054477300000000, 0.0064656500000000 ] - [ -0.0005166800000000, -0.0000710300000000, -0.0001271400000000 ] - [ -0.0005153700000000, 0.0000649100000000, 0.0000122600000000 ] - [ 0.0006304100000000, 0.0001069500000000, 0.0000990200000000 ] - [ -0.0006559900000000, -0.0002003600000000, -0.0008225400000000 ] - [ -0.0001393400000000, -0.0000155500000000, 0.0001706400000000 ] - [ -0.0004214600000000, 0.0000576600000000, 0.0021155100000000 ] - [ 0.0002056600000000, -0.0000400500000000, -0.0006601900000000 ] - [ 0.0000613900000000, -0.0000529100000000, -0.0000985600000000 ] - [ 0.0006120500000000, -0.0005886900000000, 0.0000139500000000 ] - [ -0.0000825400000000, -0.0000414300000000, -0.0009703100000000 ] - [ 0.0005082400000000, 0.0002096500000000, 0.0014473400000000 ] - [ -0.0002953500000000, -0.0018587200000000, -0.0008019000000000 ] - [ 0.0008934700000000, -0.0012039400000000, -0.0009212000000000 ] - [ -0.0006988300000000, 0.0017440900000000, -0.0010186500000000 ] - [ 0.0001041800000000, 0.0007352100000000, 0.0004703200000000 ] - [ -0.0000595000000000, -0.0001290400000000, 0.0000892100000000 ] - [ 0.0008874000000000, 0.0014020200000000, -0.0004686400000000 ] - [ -0.0004416100000000, -0.0004228300000000, 0.0008697000000000 ] - [ -0.0000025400000000, 0.0006885600000000, -0.0002071700000000 ] - [ 0.0004661800000000, -0.0007656400000000, 0.0003086100000000 ] - [ 0.0001015800000000, 0.0021523600000000, 0.0007738800000000 ] - [ -0.0020054100000000, 0.0945100800000000, -0.0941911500000000 ] - [ -0.0000263700000000, -0.0006731400000000, 0.0002516700000000 ] - [ -0.0005788500000000, -0.0078309000000000, 0.0013906000000000 ] - [ 0.0003075000000000, 0.0001840300000000, 0.0006313300000000 ] - [ -0.0003815000000000, -0.0001233400000000, -0.0003859300000000 ] - [ -0.0003802600000000, 0.0000841100000000, -0.0001307400000000 ] - [ 0.0000817000000000, -0.0000892400000000, 0.0003911800000000 ] - [ 0.0008627500000000, -0.0118897500000000, -0.0099143700000000 ] - [ 0.0000648400000000, -0.0028646000000000, 0.0002464300000000 ] - [ 0.0000415300000000, 0.0002003200000000, 0.0002485000000000 ] - [ 0.0000497700000000, 0.0000958900000000, -0.0002344800000000 ] - [ -0.0000755100000000, 0.0000993400000000, -0.0002535100000000 ] - [ -0.0000861600000000, -0.0000061700000000, 0.0002163600000000 ] - [ 0.0001031000000000, -0.0001947300000000, 0.0000369100000000 ] - [ -0.0000405500000000, -0.0001046100000000, 0.0002869000000000 ] - [ 0.0001048800000000, 0.0000835800000000, -0.0001226400000000 ] - [ -0.0002643300000000, -0.0002304000000000, -0.0001427700000000 ] - [ 0.0002767900000000, 0.0005009400000000, -0.0003372900000000 ] - [ 0.0001071300000000, -0.0001631000000000, -0.0001992400000000 ] - [ -0.0001375800000000, 0.0003022700000000, 0.0001508000000000 ] - [ -0.0001549200000000, 0.0001554600000000, 0.0002297200000000 ] - [ 0.0000413400000000, -0.0000827400000000, -0.0002387300000000 ] - [ -0.0005073700000000, 0.0003428300000000, 0.0001216900000000 ] - [ 0.0002904300000000, -0.0001794000000000, 0.0003707900000000 ] - [ -0.0004853100000000, 0.0007409000000000, 0.0003313100000000 ] - [ 0.0000340800000000, -0.0004316200000000, -0.0005509300000000 ] - [ -0.0003384400000000, -0.0004053200000000, -0.0004572400000000 ] - [ -0.0002914200000000, 0.0002743700000000, -0.0002122600000000 ] - [ 0.0002869100000000, 0.0000869900000000, 0.0002923600000000 ] - [ -0.0004081000000000, 0.0001539700000000, -0.0001766500000000 ] - [ -0.0021727400000000, -0.0123758200000000, 0.0042187800000000 ] - [ -0.0000876700000000, -0.0004452800000000, 0.0002034000000000 ] - [ -0.0000765100000000, -0.0004504900000000, -0.0005146400000000 ] - [ -0.0001573200000000, 0.0002156200000000, 0.0002849600000000 ] - [ 0.0002449800000000, -0.0005401200000000, -0.0000505000000000 ] - [ -0.0000897100000000, 0.0004981400000000, 0.0000843400000000 ] - [ -0.0002391200000000, 0.0000423900000000, -0.0002532800000000 ] - [ 0.0001374100000000, 0.0010838300000000, 0.0006243200000000 ] - [ 0.0004416800000000, -0.1110850500000000, 0.1107792100000000 ] - [ -0.0003518900000000, 0.0000171700000000, -0.0001981200000000 ] - [ 0.0000425400000000, 0.0000696200000000, 0.0003338500000000 ] - [ -0.0005198300000000, -0.0002165000000000, 0.0001882600000000 ] - [ 0.0010415400000000, 0.0011603800000000, 0.0005296100000000 ] - [ 0.0002619300000000, 0.0010230600000000, 0.0008909700000000 ] - [ -0.0000392700000000, -0.0003677300000000, 0.0001906500000000 ] - [ 0.0004693800000000, -0.0007523600000000, 0.0002727700000000 ] - [ -0.0000078800000000, -0.0000253200000000, 0.0001756600000000 ] - [ -0.0002161400000000, -0.0003192300000000, -0.0000599300000000 ] - [ -0.0005358700000000, -0.0015590000000000, -0.0017721300000000 ] - [ 0.0001566000000000, 0.0000348200000000, -0.0004014600000000 ] - [ -0.0001199800000000, 0.0000151900000000, 0.0002026800000000 ] - [ 0.0004885100000000, 0.0002714100000000, 0.0000663100000000 ] - [ -0.0013550500000000, -0.0014722400000000, -0.0004442700000000 ] - [ 0.0012157100000000, -0.0007568800000000, -0.0009006300000000 ] - [ 0.0000257700000000, 0.0012707400000000, -0.0002224000000000 ] - [ -0.0004809300000000, -0.0007916900000000, 0.0004714800000000 ] - [ 0.0000335500000000, 0.0004154600000000, 0.0004106100000000 ] - [ -0.0001009100000000, -0.0002188900000000, -0.0005672100000000 ] - [ -0.0000992200000000, 0.0004912400000000, -0.0001828500000000 ] - [ -0.0000878700000000, 0.0002496700000000, -0.0003130800000000 ] - [ -0.0005666900000000, 0.0047391100000000, 0.0015890100000000 ] - [ 0.0002602100000000, 0.0007999200000000, -0.0005531200000000 ] - [ 0.0002163700000000, -0.0002362000000000, 0.0001835400000000 ] - [ -0.0012869400000000, 0.0246659800000000, -0.0288014700000000 ] - [ 0.0005723100000000, 0.0004323500000000, -0.0005396600000000 ] - [ -0.0000478600000000, 0.0103856600000000, 0.0039727700000000 ] - [ 0.0000110000000000, -0.0005231900000000, 0.0000824300000000 ] - [ -0.0000653900000000, -0.0002923200000000, -0.0003348000000000 ] - [ 0.0000057800000000, 0.0000465100000000, 0.0002707500000000 ] - [ 0.0004901000000000, 0.0025034500000000, -0.0009497700000000 ] - [ -0.0000496700000000, -0.0001198900000000, -0.0001879500000000 ] - [ -0.0007552000000000, -0.0014045600000000, -0.0001117900000000 ] - [ 0.0000573100000000, 0.0000963300000000, -0.0001219300000000 ] - [ 0.0000836800000000, 0.0003960500000000, -0.0003037100000000 ] - [ -0.0000396000000000, 0.0002859200000000, -0.0001246000000000 ] - [ 0.0004311000000000, 0.0000305600000000, -0.0002139600000000 ] - [ 0.0001019200000000, 0.0003912200000000, -0.0006721000000000 ] - [ -0.0000149800000000, 0.0003547700000000, 0.0001476600000000 ] - [ -0.0002252000000000, 0.0008662900000000, 0.0009776200000000 ] - [ -0.0000640100000000, -0.0002652700000000, 0.0009008900000000 ] - [ -0.0002546000000000, 0.0000366500000000, 0.0000416500000000 ] - [ -0.0000070200000000, 0.0000266800000000, -0.0003065400000000 ] - [ -0.0004438700000000, -0.0003009100000000, -0.0001931300000000 ] - [ 0.0000236900000000, -0.0002941400000000, 0.0004377400000000 ] - [ 0.0029924800000000, -0.0122208800000000, 0.0057541600000000 ] - [ 0.0001980500000000, 0.0003361200000000, -0.0000699000000000 ] - [ -0.0001231300000000, 0.0003693900000000, -0.0004177500000000 ] - [ 0.0003878000000000, -0.0002350100000000, 0.0000279900000000 ] - [ 0.0004014800000000, -0.0000764500000000, -0.0000911500000000 ] - [ -0.0001967600000000, 0.0013854400000000, -0.0010648700000000 ] - [ 0.0000362600000000, 0.0001629200000000, -0.0003664100000000 ] - [ 0.0002073200000000, 0.0003549700000000, -0.0002609000000000 ] - [ 0.0005146700000000, -0.0010310200000000, -0.0002630300000000 ] - [ 0.0001924700000000, -0.0003456500000000, -0.0002751900000000 ]- atom: 81 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000557300000000, 0.0001063200000000, -0.0001764800000000 ] - [ -0.0000824900000000, -0.0000138100000000, 0.0000021900000000 ] - [ -0.0064343200000000, -0.0063501100000000, -0.0001918600000000 ] - [ 0.0001953300000000, 0.0000700300000000, 0.0000862300000000 ] - [ -0.0000229600000000, -0.0001208300000000, -0.0000686400000000 ] - [ 0.0000246100000000, 0.0000121100000000, -0.0000061200000000 ] - [ 0.0046137600000000, -0.0062503200000000, 0.0001727800000000 ] - [ 0.0016553800000000, -0.0003414400000000, -0.0013698500000000 ] - [ -0.0001573900000000, 0.0000116700000000, 0.0004499100000000 ] - [ 0.0000815000000000, -0.0000160500000000, -0.0004319900000000 ] - [ -0.0000236000000000, -0.0000128800000000, -0.0004568300000000 ] - [ -0.0001396300000000, 0.0000384400000000, 0.0001530300000000 ] - [ -0.0000472500000000, -0.0000197000000000, -0.0002305900000000 ] - [ 0.0000173900000000, -0.0000027100000000, -0.0000460400000000 ] - [ 0.0000897700000000, 0.0000959500000000, 0.0000814900000000 ] - [ -0.0019205200000000, -0.0003908200000000, -0.0009030500000000 ] - [ -0.0005165000000000, 0.0001863000000000, -0.0003764000000000 ] - [ 0.0005088400000000, -0.0000409000000000, -0.0001983000000000 ] - [ 0.0007330700000000, 0.0001348900000000, 0.0000462200000000 ] - [ 0.0006314700000000, -0.0003381000000000, 0.0000368000000000 ] - [ -0.0002597600000000, -0.0052194800000000, -0.0063268300000000 ] - [ -0.0005243400000000, -0.0000490600000000, 0.0000216600000000 ] - [ -0.0005257300000000, 0.0000535900000000, -0.0001155800000000 ] - [ 0.0004142300000000, 0.0000114200000000, 0.0000092500000000 ] - [ 0.0006421400000000, 0.0002769600000000, 0.0008490600000000 ] - [ 0.0001366100000000, 0.0000164400000000, -0.0001685300000000 ] - [ 0.0004092300000000, -0.0000467600000000, -0.0003875100000000 ] - [ -0.0002016000000000, 0.0000408700000000, -0.0010497600000000 ] - [ -0.0000523700000000, 0.0000584000000000, 0.0000962600000000 ] - [ -0.0005951200000000, 0.0006674900000000, 0.0017304800000000 ] - [ 0.0000753700000000, 0.0000473200000000, -0.0007456200000000 ] - [ -0.0004960600000000, -0.0001988500000000, -0.0014295000000000 ] - [ 0.0003828700000000, 0.0005784900000000, 0.0008669800000000 ] - [ -0.0001369100000000, 0.0010484400000000, 0.0014170900000000 ] - [ 0.0007698000000000, -0.0004747600000000, 0.0009238800000000 ] - [ -0.0000271900000000, 0.0005374000000000, -0.0003819600000000 ] - [ 0.0008244900000000, -0.0000211500000000, -0.0005952300000000 ] - [ -0.0001163400000000, -0.0012613900000000, -0.0000552700000000 ] - [ -0.0003248700000000, 0.0002702300000000, -0.0003449400000000 ] - [ -0.0000707700000000, 0.0005816100000000, 0.0002822100000000 ] - [ -0.0003904200000000, -0.0005082000000000, -0.0003830700000000 ] - [ -0.0001792600000000, -0.0009046600000000, -0.0008317300000000 ] - [ 0.0012459000000000, -0.0935372800000000, 0.0958040600000000 ] - [ -0.0000478400000000, -0.0006013000000000, -0.0001655800000000 ] - [ 0.0005003200000000, 0.0065544400000000, -0.0014091300000000 ] - [ 0.0004552000000000, -0.0000350600000000, -0.0001118400000000 ] - [ -0.0003835300000000, -0.0000276800000000, -0.0001268500000000 ] - [ -0.0003847500000000, 0.0000635300000000, -0.0003752000000000 ] - [ 0.0001176900000000, 0.0003526400000000, -0.0003003000000000 ] - [ -0.0006638300000000, 0.0116281100000000, 0.0099912900000000 ] - [ 0.0000191300000000, 0.0027088300000000, 0.0002167800000000 ] - [ 0.0000433500000000, -0.0000289600000000, 0.0002343600000000 ] - [ 0.0000352100000000, 0.0000754900000000, -0.0002465100000000 ] - [ -0.0000117400000000, 0.0000708100000000, -0.0002253300000000 ] - [ -0.0001137700000000, -0.0002642800000000, -0.0001311900000000 ] - [ 0.0000970600000000, -0.0000795900000000, -0.0001166000000000 ] - [ -0.0000450800000000, -0.0000676200000000, 0.0001949300000000 ] - [ 0.0000950400000000, 0.0001862900000000, 0.0000385100000000 ] - [ 0.0000669200000000, -0.0000432300000000, 0.0000607100000000 ] - [ -0.0004758800000000, -0.0002314700000000, 0.0004166300000000 ] - [ -0.0001889300000000, -0.0000095100000000, -0.0002809900000000 ] - [ -0.0000628900000000, -0.0000286700000000, -0.0002295200000000 ] - [ 0.0000803400000000, 0.0000136900000000, 0.0002504300000000 ] - [ 0.0000436300000000, -0.0000894600000000, -0.0002425500000000 ] - [ -0.0003491000000000, 0.0001359700000000, -0.0002184100000000 ] - [ -0.0002863900000000, -0.0000774900000000, 0.0001723000000000 ] - [ -0.0004761300000000, 0.0007464000000000, 0.0004591500000000 ] - [ -0.0000162300000000, 0.0003561200000000, 0.0000693100000000 ] - [ 0.0003124800000000, -0.0004169200000000, -0.0001468500000000 ] - [ 0.0003216300000000, 0.0005466300000000, -0.0004187500000000 ] - [ -0.0001185900000000, 0.0008888600000000, -0.0000053600000000 ] - [ -0.0001586000000000, -0.0002145000000000, 0.0006211300000000 ] - [ 0.0030781400000000, 0.0118935400000000, -0.0044933500000000 ] - [ -0.0000848600000000, -0.0005263500000000, 0.0000837600000000 ] - [ -0.0000723600000000, -0.0005173500000000, -0.0001995100000000 ] - [ 0.0001588200000000, 0.0000391300000000, 0.0002552500000000 ] - [ -0.0000724000000000, -0.0004327800000000, 0.0003340400000000 ] - [ -0.0000829900000000, 0.0004748000000000, 0.0001999600000000 ] - [ -0.0003244400000000, 0.0000196600000000, -0.0002015500000000 ] - [ -0.0001411000000000, -0.0008386800000000, -0.0011517800000000 ] - [ -0.0000504800000000, 0.1094115500000000, -0.1117513700000000 ] - [ -0.0002154200000000, -0.0000785800000000, -0.0002550300000000 ] - [ -0.0000401100000000, -0.0001496900000000, 0.0001377900000000 ] - [ 0.0006927300000000, -0.0007506800000000, -0.0004691100000000 ] - [ -0.0000800600000000, 0.0003368500000000, 0.0002679600000000 ] - [ -0.0006445200000000, -0.0003552500000000, -0.0005179900000000 ] - [ 0.0000613500000000, -0.0004489800000000, 0.0004087400000000 ] - [ 0.0004897900000000, -0.0007355700000000, 0.0005172200000000 ] - [ 0.0000244200000000, -0.0000465800000000, 0.0002995500000000 ] - [ -0.0001733000000000, -0.0003452800000000, 0.0004179700000000 ] - [ -0.0004244400000000, 0.0000820800000000, 0.0009821700000000 ] - [ -0.0001686100000000, 0.0000343000000000, -0.0000771800000000 ] - [ 0.0002614900000000, -0.0009813800000000, -0.0009043700000000 ] - [ 0.0003716800000000, 0.0002093900000000, 0.0000361100000000 ] - [ 0.0004918200000000, 0.0009841100000000, 0.0005534000000000 ] - [ -0.0012381400000000, 0.0015660700000000, 0.0003061700000000 ] - [ -0.0000056700000000, -0.0012330600000000, -0.0002447000000000 ] - [ -0.0004807200000000, -0.0006965400000000, 0.0003229600000000 ] - [ -0.0000068400000000, 0.0004029500000000, 0.0001949800000000 ] - [ 0.0001008700000000, -0.0000397500000000, 0.0000221900000000 ] - [ -0.0000494100000000, 0.0004781300000000, -0.0005232300000000 ] - [ -0.0000593800000000, 0.0007272600000000, 0.0010083700000000 ] - [ -0.0003919200000000, -0.0032543100000000, -0.0024252500000000 ] - [ 0.0006998700000000, 0.0006902400000000, -0.0002405900000000 ] - [ -0.0002248700000000, -0.0000199300000000, 0.0003320400000000 ] - [ 0.0011312000000000, -0.0241575500000000, 0.0291112300000000 ] - [ 0.0002895300000000, 0.0000502700000000, 0.0004284600000000 ] - [ -0.0000953700000000, -0.0112759400000000, -0.0032839300000000 ] - [ 0.0001377700000000, -0.0004460500000000, 0.0006229000000000 ] - [ -0.0001061400000000, -0.0006760700000000, 0.0000404500000000 ] - [ 0.0000103900000000, 0.0000240400000000, 0.0002072500000000 ] - [ -0.0005066600000000, -0.0022464600000000, 0.0014659600000000 ] - [ 0.0000440400000000, -0.0001356300000000, -0.0003501100000000 ] - [ 0.0003716400000000, 0.0007380200000000, -0.0002393300000000 ] - [ -0.0000951500000000, -0.0001760600000000, -0.0003595800000000 ] - [ 0.0000897000000000, 0.0005761700000000, 0.0000142600000000 ] - [ -0.0008198700000000, 0.0001913400000000, 0.0002265300000000 ] - [ 0.0001344400000000, -0.0000946000000000, -0.0002403300000000 ] - [ 0.0000459500000000, 0.0005762600000000, -0.0000448000000000 ] - [ -0.0000115600000000, 0.0004632800000000, 0.0004532600000000 ] - [ 0.0007951400000000, -0.0009401900000000, -0.0005139600000000 ] - [ 0.0002081300000000, 0.0012342100000000, -0.0001800300000000 ] - [ 0.0002316400000000, 0.0000328700000000, 0.0004315400000000 ] - [ 0.0005706800000000, 0.0000359500000000, -0.0001444200000000 ] - [ -0.0004156400000000, -0.0001816300000000, 0.0000875000000000 ] - [ -0.0000524100000000, -0.0005263300000000, 0.0001703500000000 ] - [ -0.0036146100000000, 0.0122630100000000, -0.0054918300000000 ] - [ 0.0001912200000000, 0.0003279400000000, -0.0002924600000000 ] - [ -0.0002675400000000, 0.0002956100000000, 0.0000495800000000 ] - [ 0.0004683700000000, -0.0002450100000000, 0.0000724800000000 ] - [ 0.0001688500000000, 0.0001354100000000, 0.0005398700000000 ] - [ 0.0002375200000000, -0.0022070500000000, 0.0004407900000000 ] - [ -0.0000378100000000, 0.0000940100000000, -0.0001773900000000 ] - [ 0.0001832100000000, 0.0003079800000000, 0.0006170400000000 ] - [ 0.0004505000000000, -0.0004549200000000, -0.0005271800000000 ] - [ 0.0001970900000000, -0.0003193900000000, -0.0000922200000000 ]- atom: 81 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0002094000000000, -0.0000948600000000, -0.0015909500000000 ] - [ -0.0004366500000000, 0.0000724800000000, 0.0000880100000000 ] - [ 0.0014233200000000, 0.0004681900000000, 0.0056691800000000 ] - [ -0.0009789300000000, -0.0004601700000000, -0.0017830800000000 ] - [ -0.0000647300000000, -0.0000765800000000, -0.0006870800000000 ] - [ 0.0000981200000000, 0.0000599400000000, -0.0006607800000000 ] - [ -0.0014305000000000, 0.0006394600000000, 0.0052691100000000 ] - [ 0.0017208800000000, 0.0018030500000000, -0.0017106300000000 ] - [ 0.0008161700000000, -0.0002757800000000, -0.0012873600000000 ] - [ 0.0004806600000000, 0.0000646100000000, -0.0004863900000000 ] - [ -0.0004490900000000, -0.0001454200000000, -0.0007439600000000 ] - [ -0.0002899900000000, 0.0002618400000000, 0.0009984700000000 ] - [ -0.0001696800000000, -0.0002508300000000, -0.0016266500000000 ] - [ 0.0003883400000000, -0.0001033700000000, -0.0003887700000000 ] - [ 0.0001833900000000, 0.0003502300000000, 0.0009380900000000 ] - [ -0.0020690900000000, 0.0018658200000000, -0.0007707300000000 ] - [ -0.0004933800000000, 0.0000809900000000, -0.0017195100000000 ] - [ 0.0002566100000000, -0.0000564500000000, -0.0011171500000000 ] - [ 0.0016219600000000, -0.0001118000000000, 0.0007958900000000 ] - [ 0.0036910300000000, 0.0003344900000000, 0.0025776200000000 ] - [ -0.0016352900000000, 0.0071675400000000, 0.0256107200000000 ] - [ -0.0004987800000000, -0.0000859100000000, 0.0005460100000000 ] - [ -0.0005403000000000, 0.0000310600000000, -0.0006429200000000 ] - [ -0.0003568100000000, 0.0001933200000000, -0.0011266900000000 ] - [ 0.0050979600000000, -0.0098035200000000, -0.0069087200000000 ] - [ 0.0011779300000000, 0.0005044100000000, -0.0011554500000000 ] - [ 0.0024335100000000, 0.0015620700000000, -0.0045839800000000 ] - [ -0.0013666900000000, 0.0005575400000000, -0.0020535900000000 ] - [ -0.0021675400000000, -0.0004747500000000, 0.0002390600000000 ] - [ -0.0056963300000000, -0.0097289100000000, -0.0061819100000000 ] - [ 0.0021980200000000, -0.0004114500000000, -0.0004658800000000 ] - [ -0.0025254200000000, 0.0017893800000000, -0.0057612900000000 ] - [ 0.0030096100000000, -0.0003095600000000, 0.0056174800000000 ] - [ -0.0025484800000000, -0.0001718100000000, 0.0052685100000000 ] - [ 0.0082334000000000, -0.0022744100000000, 0.0041673000000000 ] - [ -0.0012463500000000, 0.0002073200000000, -0.0035803600000000 ] - [ 0.0020919500000000, -0.0002320000000000, -0.0030248500000000 ] - [ -0.0086319400000000, -0.0020394600000000, 0.0040842100000000 ] - [ -0.0004099600000000, 0.0004653500000000, -0.0045226500000000 ] - [ 0.0000004200000000, 0.0009831100000000, 0.0024189200000000 ] - [ -0.0017141800000000, -0.0006740300000000, -0.0029246300000000 ] - [ -0.0001808500000000, 0.0021390400000000, -0.0070213700000000 ] - [ 0.0040899500000000, -0.1009875700000000, 0.3650975900000000 ] - [ -0.0000766700000000, -0.0004704900000000, -0.0017863500000000 ] - [ 0.0009989100000000, -0.0030427700000000, 0.0065885900000000 ] - [ 0.0016491100000000, -0.0004245300000000, -0.0030664500000000 ] - [ -0.0004359500000000, -0.0000473800000000, 0.0013397000000000 ] - [ -0.0003611300000000, 0.0003771000000000, -0.0018726500000000 ] - [ 0.0002504000000000, 0.0024165800000000, -0.0027416400000000 ] - [ -0.0005488400000000, 0.0087546800000000, 0.0123293800000000 ] - [ -0.0000058200000000, 0.0005820100000000, 0.0005447100000000 ] - [ 0.0000667300000000, -0.0002517800000000, -0.0005687400000000 ] - [ 0.0000217000000000, 0.0000118600000000, -0.0002425600000000 ] - [ 0.0004870300000000, 0.0002654600000000, -0.0007976900000000 ] - [ -0.0001449200000000, -0.0012785200000000, -0.0014271400000000 ] - [ 0.0000683500000000, 0.0004672300000000, -0.0008427900000000 ] - [ 0.0000241600000000, -0.0000843300000000, -0.0001042200000000 ] - [ 0.0001208000000000, 0.0007454100000000, 0.0008400300000000 ] - [ -0.0005103800000000, -0.0022048300000000, 0.0024208900000000 ] - [ -0.0001689800000000, -0.0021281000000000, 0.0032730100000000 ] - [ -0.0005901900000000, -0.0000045000000000, -0.0002295000000000 ] - [ 0.0001204200000000, -0.0010051400000000, -0.0015704000000000 ] - [ -0.0019800000000000, 0.0003813900000000, 0.0005863500000000 ] - [ 0.0000475200000000, -0.0001334100000000, -0.0003075600000000 ] - [ 0.0003025300000000, 0.0005379900000000, -0.0010682400000000 ] - [ -0.0025615600000000, -0.0005440100000000, 0.0000106800000000 ] - [ -0.0004564600000000, 0.0008664400000000, 0.0009502200000000 ] - [ -0.0000966900000000, -0.0009324100000000, 0.0032317100000000 ] - [ 0.0015215800000000, 0.0005360900000000, 0.0012129400000000 ] - [ -0.0001170900000000, 0.0000211900000000, 0.0044069400000000 ] - [ 0.0017631300000000, 0.0023843100000000, -0.0015225400000000 ] - [ 0.0001553500000000, -0.0008038500000000, 0.0025448800000000 ] - [ -0.0165494400000000, -0.0010043500000000, 0.0300054800000000 ] - [ -0.0000924900000000, -0.0006887500000000, -0.0005617100000000 ] - [ -0.0000599900000000, -0.0007758500000000, 0.0010543300000000 ] - [ 0.0006695600000000, 0.0002533300000000, 0.0008630400000000 ] - [ -0.0005414200000000, -0.0001125300000000, 0.0015395700000000 ] - [ -0.0000672600000000, 0.0001062200000000, 0.0008263700000000 ] - [ -0.0010307500000000, -0.0002992800000000, 0.0004378500000000 ] - [ -0.0029319600000000, 0.0023522800000000, -0.0027216100000000 ] - [ -0.0059182900000000, 0.1157122100000000, -0.4708265800000000 ] - [ 0.0002841600000000, -0.0003258300000000, -0.0006685200000000 ] - [ -0.0039234800000000, 0.0011141700000000, 0.0013536100000000 ] - [ 0.0012712800000000, 0.0001596200000000, -0.0027619800000000 ] - [ -0.0012085400000000, -0.0002192000000000, -0.0010882900000000 ] - [ -0.0003887800000000, -0.0003773100000000, -0.0030594000000000 ] - [ 0.0004085700000000, -0.0006929200000000, 0.0010898500000000 ] - [ 0.0009199800000000, -0.0008498900000000, 0.0015862000000000 ] - [ 0.0000470700000000, -0.0001754100000000, 0.0006406300000000 ] - [ -0.0001738600000000, -0.0005692400000000, 0.0023951600000000 ] - [ -0.0004214200000000, -0.0010517900000000, 0.0020688900000000 ] - [ -0.0010392100000000, -0.0001876900000000, 0.0006706100000000 ] - [ 0.0001945300000000, 0.0002079900000000, -0.0045431600000000 ] - [ -0.0000780300000000, 0.0000004500000000, -0.0003807500000000 ] - [ 0.0080344000000000, 0.0004400700000000, 0.0032328400000000 ] - [ -0.0080961700000000, 0.0013382400000000, 0.0027155300000000 ] - [ -0.0000429100000000, 0.0022729400000000, 0.0014379900000000 ] - [ -0.0005281700000000, -0.0006454300000000, -0.0002090100000000 ] - [ -0.0006369300000000, 0.0000378300000000, -0.0007337400000000 ] - [ 0.0012722600000000, 0.0004836800000000, 0.0021079500000000 ] - [ -0.0000548900000000, 0.0001621900000000, -0.0021481800000000 ] - [ -0.0001291000000000, -0.0007682800000000, 0.0052454000000000 ] - [ -0.0009016400000000, 0.0066467400000000, 0.0017487000000000 ] - [ 0.0012990400000000, 0.0003402000000000, 0.0005012800000000 ] - [ 0.0007399600000000, -0.0004368600000000, 0.0049691800000000 ] - [ 0.0008033200000000, -0.0179322900000000, 0.0018752700000000 ] - [ 0.0000533700000000, -0.0005179400000000, 0.0023281500000000 ] - [ 0.0000558100000000, -0.0065976200000000, -0.0099567300000000 ] - [ 0.0003123100000000, 0.0000280600000000, 0.0026853300000000 ] - [ -0.0001544300000000, -0.0014688100000000, 0.0025347800000000 ] - [ -0.0000050600000000, 0.0000127700000000, 0.0001404200000000 ] - [ 0.0009355300000000, -0.0014906600000000, 0.0009651800000000 ] - [ 0.0006571400000000, -0.0005229200000000, -0.0012244200000000 ] - [ 0.0019457400000000, -0.0003914700000000, -0.0040538400000000 ] - [ 0.0040998800000000, 0.0010056800000000, 0.0008024400000000 ] - [ -0.0001675600000000, 0.0010877900000000, 0.0013133400000000 ] - [ -0.0021196400000000, 0.0010906800000000, 0.0016973200000000 ] - [ -0.0003171500000000, 0.0002906700000000, 0.0003894700000000 ] - [ 0.0000313200000000, 0.0010493100000000, 0.0022963500000000 ] - [ 0.0002856600000000, 0.0006047500000000, 0.0013407900000000 ] - [ 0.0034681600000000, 0.0019807300000000, -0.0021411400000000 ] - [ -0.0015859100000000, 0.0019120100000000, -0.0038331700000000 ] - [ 0.0013557400000000, -0.0004004200000000, 0.0011576300000000 ] - [ 0.0028042700000000, -0.0003558400000000, -0.0003137800000000 ] - [ -0.0005788600000000, 0.0000422200000000, 0.0010379400000000 ] - [ -0.0009774100000000, -0.0004560600000000, -0.0007629600000000 ] - [ 0.0187864100000000, 0.0005268800000000, 0.0304628400000000 ] - [ 0.0002119600000000, 0.0004415100000000, -0.0013941900000000 ] - [ -0.0004275500000000, 0.0000964600000000, 0.0017409900000000 ] - [ 0.0011320700000000, -0.0005461800000000, 0.0007420200000000 ] - [ -0.0011531600000000, 0.0006900000000000, 0.0026700400000000 ] - [ -0.0014341100000000, -0.0011390100000000, -0.0000982500000000 ] - [ -0.0003702200000000, -0.0001469600000000, 0.0004600600000000 ] - [ 0.0001972000000000, 0.0007687800000000, 0.0032281900000000 ] - [ -0.0012275900000000, 0.0003049500000000, -0.0008618800000000 ] - [ 0.0001919600000000, -0.0002389500000000, 0.0009938500000000 ]- atom: 81 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0002083900000000, 0.0003601400000000, 0.0015909100000000 ] - [ 0.0004362400000000, -0.0000716600000000, -0.0000862400000000 ] - [ -0.0014660700000000, -0.0005040200000000, -0.0058111800000000 ] - [ 0.0009820000000000, 0.0004628200000000, 0.0017826000000000 ] - [ 0.0000641600000000, -0.0001897700000000, 0.0006869100000000 ] - [ -0.0000966500000000, -0.0000598300000000, 0.0007876900000000 ] - [ 0.0014483800000000, -0.0009275400000000, -0.0052860900000000 ] - [ -0.0017260200000000, -0.0017930900000000, 0.0017150100000000 ] - [ -0.0008180900000000, 0.0002777700000000, 0.0021399000000000 ] - [ -0.0004803800000000, -0.0000638000000000, -0.0003651200000000 ] - [ 0.0004488100000000, 0.0001452100000000, -0.0001114000000000 ] - [ 0.0002873900000000, -0.0002606400000000, -0.0008717700000000 ] - [ 0.0001677200000000, 0.0002496300000000, 0.0014995900000000 ] - [ -0.0003887300000000, 0.0001033800000000, 0.0003869600000000 ] - [ -0.0001810100000000, -0.0000838800000000, -0.0009386600000000 ] - [ 0.0020747100000000, -0.0018561900000000, 0.0016297300000000 ] - [ -0.0005481200000000, -0.0002002400000000, 0.0018252900000000 ] - [ 0.0007856100000000, -0.0000637500000000, 0.0010124600000000 ] - [ -0.0005811400000000, -0.0000073900000000, -0.0006962800000000 ] - [ -0.0026434000000000, -0.0002136100000000, -0.0026642800000000 ] - [ 0.0006809800000000, -0.0076073400000000, -0.0275324700000000 ] - [ -0.0005423600000000, -0.0000337900000000, -0.0006492700000000 ] - [ -0.0005008600000000, 0.0000879400000000, 0.0005378800000000 ] - [ 0.0013957100000000, -0.0000728700000000, 0.0012287600000000 ] - [ -0.0050965000000000, 0.0097499400000000, 0.0068969300000000 ] - [ -0.0011800600000000, -0.0005050500000000, 0.0011513900000000 ] - [ -0.0024491300000000, -0.0015706000000000, 0.0063007100000000 ] - [ 0.0013685400000000, -0.0005573000000000, 0.0003356200000000 ] - [ 0.0021620100000000, 0.0004700500000000, -0.0002342500000000 ] - [ 0.0056940600000000, 0.0096788200000000, 0.0078819600000000 ] - [ -0.0021919200000000, 0.0004074400000000, -0.0012408900000000 ] - [ 0.0025412600000000, -0.0017983300000000, 0.0057662000000000 ] - [ -0.0029492100000000, -0.0009574400000000, -0.0055263700000000 ] - [ 0.0033258700000000, 0.0000238600000000, -0.0047484500000000 ] - [ -0.0081691800000000, 0.0035565100000000, -0.0042917300000000 ] - [ 0.0013252600000000, 0.0010663600000000, 0.0036602800000000 ] - [ -0.0013238800000000, 0.0000835200000000, 0.0025164500000000 ] - [ 0.0094119800000000, 0.0021894000000000, -0.0046548300000000 ] - [ -0.0003571800000000, -0.0006154400000000, 0.0050336000000000 ] - [ -0.0000740500000000, 0.0002906600000000, -0.0023356200000000 ] - [ 0.0017858800000000, -0.0005982400000000, 0.0028457700000000 ] - [ 0.0001053000000000, -0.0008538900000000, 0.0069341500000000 ] - [ -0.0044722800000000, 0.0926935700000000, -0.3433483400000000 ] - [ 0.0000029600000000, -0.0008024100000000, 0.0018667700000000 ] - [ -0.0010751000000000, 0.0017383800000000, -0.0067549000000000 ] - [ -0.0008877500000000, 0.0005753300000000, 0.0035765900000000 ] - [ -0.0003308300000000, -0.0001025000000000, -0.0018530200000000 ] - [ -0.0004053300000000, -0.0002266500000000, 0.0013633400000000 ] - [ -0.0000505300000000, -0.0021444100000000, 0.0028233200000000 ] - [ 0.0007501900000000, -0.0090464300000000, -0.0122477700000000 ] - [ 0.0000911100000000, -0.0007545000000000, -0.0000562200000000 ] - [ 0.0000179700000000, 0.0004252800000000, 0.0010499400000000 ] - [ 0.0000629700000000, 0.0001599400000000, -0.0002392600000000 ] - [ -0.0005691800000000, -0.0000931200000000, 0.0003141300000000 ] - [ -0.0000552600000000, 0.0010066700000000, 0.0015088600000000 ] - [ 0.0001316000000000, -0.0007393600000000, 0.0007608500000000 ] - [ -0.0001095200000000, -0.0000874900000000, 0.0005846800000000 ] - [ 0.0000789900000000, -0.0004740200000000, -0.0009228300000000 ] - [ 0.0003087100000000, 0.0019348500000000, -0.0025077000000000 ] - [ -0.0000262000000000, 0.0023956000000000, -0.0031846600000000 ] - [ 0.0005060700000000, -0.0001680500000000, -0.0002535000000000 ] - [ -0.0003200400000000, 0.0012774700000000, 0.0014884200000000 ] - [ 0.0018847600000000, -0.0002088300000000, -0.0001036000000000 ] - [ 0.0000373800000000, -0.0000387600000000, -0.0001737700000000 ] - [ -0.0011653800000000, -0.0000535400000000, 0.0009588100000000 ] - [ 0.0025707600000000, 0.0002851400000000, 0.0005371100000000 ] - [ -0.0005044300000000, 0.0006234500000000, -0.0001597500000000 ] - [ 0.0001139900000000, 0.0008688200000000, -0.0037198400000000 ] - [ -0.0015463600000000, -0.0013512900000000, -0.0018164700000000 ] - [ 0.0001421900000000, 0.0007949000000000, -0.0049962300000000 ] - [ -0.0015909300000000, -0.0014155600000000, 0.0018235900000000 ] - [ -0.0007185300000000, 0.0007433300000000, -0.0020921100000000 ] - [ 0.0170187700000000, 0.0004610500000000, -0.0295500100000000 ] - [ -0.0000807700000000, -0.0002824100000000, 0.0008527900000000 ] - [ -0.0000882400000000, -0.0001899200000000, -0.0017665700000000 ] - [ -0.0006646200000000, 0.0000037100000000, -0.0003241600000000 ] - [ 0.0007133500000000, -0.0008603000000000, -0.0012497000000000 ] - [ -0.0001063100000000, 0.0008632200000000, -0.0005365700000000 ] - [ 0.0004633100000000, 0.0003608000000000, -0.0008914800000000 ] - [ 0.0029428300000000, -0.0020911200000000, 0.0021661400000000 ] - [ 0.0058209300000000, -0.1069990200000000, 0.4510906300000000 ] - [ -0.0008495500000000, 0.0002641000000000, 0.0002169600000000 ] - [ 0.0038847300000000, -0.0011753200000000, -0.0008741000000000 ] - [ -0.0010995400000000, -0.0011315200000000, 0.0024642900000000 ] - [ 0.0021693100000000, 0.0017049400000000, 0.0018716800000000 ] - [ -0.0000077900000000, 0.0010394200000000, 0.0034170900000000 ] - [ -0.0003843100000000, -0.0001236500000000, -0.0004877600000000 ] - [ 0.0000388200000000, -0.0006421100000000, -0.0007946300000000 ] - [ -0.0000299700000000, 0.0001053300000000, -0.0001650000000000 ] - [ -0.0002128600000000, -0.0000984000000000, -0.0020333500000000 ] - [ -0.0005389500000000, -0.0004460400000000, -0.0028647800000000 ] - [ 0.0010244200000000, 0.0002583700000000, -0.0011444100000000 ] - [ -0.0000406200000000, -0.0011790600000000, 0.0038271900000000 ] - [ 0.0009368700000000, 0.0004811600000000, 0.0004864300000000 ] - [ -0.0089507100000000, -0.0009275500000000, -0.0031505200000000 ] - [ 0.0081164500000000, -0.0005255200000000, -0.0033284000000000 ] - [ 0.0000600600000000, -0.0021884300000000, -0.0019172600000000 ] - [ -0.0004326100000000, -0.0008458600000000, 0.0009978000000000 ] - [ 0.0006615700000000, 0.0007785500000000, 0.0013318400000000 ] - [ -0.0012724000000000, -0.0007415600000000, -0.0026495200000000 ] - [ -0.0000926300000000, 0.0008035300000000, 0.0014343200000000 ] - [ -0.0000181300000000, 0.0017313400000000, -0.0045298400000000 ] - [ -0.0000563600000000, -0.0051765600000000, -0.0025238900000000 ] - [ -0.0003372100000000, 0.0011489800000000, -0.0012926600000000 ] - [ -0.0007383600000000, 0.0001789600000000, -0.0044173200000000 ] - [ -0.0009724400000000, 0.0188075500000000, -0.0022464800000000 ] - [ 0.0008046200000000, 0.0010007200000000, -0.0024322200000000 ] - [ -0.0002053600000000, 0.0055996700000000, 0.0107210700000000 ] - [ -0.0001635300000000, -0.0009937500000000, -0.0019736700000000 ] - [ -0.0000185200000000, 0.0004969300000000, -0.0028240100000000 ] - [ 0.0000214700000000, 0.0000582200000000, 0.0003331100000000 ] - [ -0.0009461800000000, 0.0017719000000000, -0.0004187200000000 ] - [ -0.0006590900000000, 0.0002654000000000, 0.0006812900000000 ] - [ -0.0023071200000000, -0.0002700600000000, 0.0037150100000000 ] - [ -0.0040944300000000, -0.0010673300000000, -0.0012729000000000 ] - [ 0.0003420200000000, -0.0001174600000000, -0.0016033900000000 ] - [ 0.0012594900000000, -0.0006078500000000, -0.0015962000000000 ] - [ 0.0008799000000000, -0.0003521700000000, -0.0008443100000000 ] - [ 0.0001146100000000, -0.0000841100000000, -0.0030087300000000 ] - [ -0.0003147100000000, 0.0002139300000000, -0.0007365200000000 ] - [ -0.0029068100000000, -0.0020361900000000, 0.0025818800000000 ] - [ 0.0017167100000000, -0.0009422100000000, 0.0045605000000000 ] - [ -0.0013760400000000, 0.0004714500000000, -0.0006815700000000 ] - [ -0.0022432400000000, 0.0004164800000000, -0.0001272300000000 ] - [ -0.0002776900000000, -0.0005233700000000, -0.0011409000000000 ] - [ 0.0009556600000000, -0.0003596200000000, 0.0013604300000000 ] - [ -0.0189277400000000, -0.0005046700000000, -0.0294736300000000 ] - [ 0.0001764900000000, 0.0002251400000000, 0.0010332100000000 ] - [ 0.0000375200000000, 0.0005707600000000, -0.0021036200000000 ] - [ -0.0002720900000000, 0.0000649300000000, -0.0006383300000000 ] - [ 0.0017234400000000, -0.0006298000000000, -0.0022189700000000 ] - [ 0.0014654900000000, 0.0003380400000000, -0.0004941400000000 ] - [ 0.0003670500000000, 0.0004036900000000, -0.0010000200000000 ] - [ 0.0001921900000000, -0.0001012500000000, -0.0028673700000000 ] - [ 0.0021906500000000, -0.0017991000000000, 0.0000788700000000 ] - [ 0.0001966300000000, -0.0004285300000000, -0.0013559100000000 ]